smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001568468615 1167532042 /nfs/dbraw/zinc/53/20/42/1167532042.db2.gz LANJZQIDSBOXSM-LSDHHAIUSA-N 2 0 283.460 1.879 20 30 CDEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001566689184 1168389397 /nfs/dbraw/zinc/38/93/97/1168389397.db2.gz IRDDBHMLQLDYMQ-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCOCC[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127321658 913856680 /nfs/dbraw/zinc/85/66/80/913856680.db2.gz BWRKDYQRHDDMTD-UHFFFAOYSA-N 2 0 297.443 1.159 20 30 CDEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)COCC[NH+](C)C ZINC001176167016 913977164 /nfs/dbraw/zinc/97/71/64/913977164.db2.gz VXSDWWJDPBEANE-AWEZNQCLSA-N 2 0 285.432 1.015 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001023273521 897469265 /nfs/dbraw/zinc/46/92/65/897469265.db2.gz NLPIQTZKOWFRHT-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235411024 914209938 /nfs/dbraw/zinc/20/99/38/914209938.db2.gz SNDXXLPZYLIKNR-MRXNPFEDSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105010508 899786886 /nfs/dbraw/zinc/78/68/86/899786886.db2.gz OLZNNYYZOACQNC-OAGGEKHMSA-N 2 0 291.439 1.036 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001167784056 900600633 /nfs/dbraw/zinc/60/06/33/900600633.db2.gz KSCPSAGIVXVTEQ-UHFFFAOYSA-N 2 0 293.455 1.618 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177332221 914606346 /nfs/dbraw/zinc/60/63/46/914606346.db2.gz NJCRRNPQDDFTET-UHFFFAOYSA-N 2 0 267.417 1.534 20 30 CDEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001088382296 907066552 /nfs/dbraw/zinc/06/65/52/907066552.db2.gz YPMPPLDDUAISCO-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001088579366 908141655 /nfs/dbraw/zinc/14/16/55/908141655.db2.gz COJRFYOARHOSOQ-FXUDXRNXSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H](C)C1 ZINC001092618480 909477853 /nfs/dbraw/zinc/47/78/53/909477853.db2.gz RPKSSHYGAHSYBX-LVQVYYBASA-N 2 0 293.455 1.587 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092936762 909554990 /nfs/dbraw/zinc/55/49/90/909554990.db2.gz IPLPRAQHIRMHCV-GDBMZVCRSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001094380654 910590920 /nfs/dbraw/zinc/59/09/20/910590920.db2.gz WEABARLOEZNAOP-ZMSDIMECSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171579223 910837696 /nfs/dbraw/zinc/83/76/96/910837696.db2.gz QQNLSKRCTHYVPT-UHFFFAOYSA-N 2 0 269.433 1.780 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171579591 910838054 /nfs/dbraw/zinc/83/80/54/910838054.db2.gz XYRCOZMKRHNFOC-UHFFFAOYSA-N 2 0 255.406 1.390 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001178698860 915586775 /nfs/dbraw/zinc/58/67/75/915586775.db2.gz XJJGNOABAMIZFK-INIZCTEOSA-N 2 0 293.455 1.616 20 30 CDEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)CC[NH+](C)C ZINC001179461190 915842634 /nfs/dbraw/zinc/84/26/34/915842634.db2.gz FCCAQUAQPCISHF-UHFFFAOYSA-N 2 0 289.851 1.957 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC001179546381 915880786 /nfs/dbraw/zinc/88/07/86/915880786.db2.gz NTCSUTYBYSFSEQ-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001179580262 915909863 /nfs/dbraw/zinc/90/98/63/915909863.db2.gz BFSMCGURUPKOKC-MRXNPFEDSA-N 2 0 293.455 1.760 20 30 CDEDRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2ccc(C#N)cn2)no1 ZINC001212337687 916010408 /nfs/dbraw/zinc/01/04/08/916010408.db2.gz ASEPZJUZKPATIR-AWEZNQCLSA-N 2 0 286.339 1.306 20 30 CDEDRP C=CCC[NH2+]CCCCCCNC(=O)COCC[NH+](C)C ZINC001180060450 916139455 /nfs/dbraw/zinc/13/94/55/916139455.db2.gz CEHBEVNGRXPKJE-UHFFFAOYSA-N 2 0 299.459 1.407 20 30 CDEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000303906581 935047745 /nfs/dbraw/zinc/04/77/45/935047745.db2.gz WFXQEALUQIGNKW-NSHDSACASA-N 2 0 292.383 1.382 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001181755248 917341639 /nfs/dbraw/zinc/34/16/39/917341639.db2.gz KWLHCUYTROUAJQ-UKPHBRMFSA-N 2 0 293.455 1.587 20 30 CDEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)Cc2ncc[nH]2)C[C@H]1C ZINC001182996804 918247649 /nfs/dbraw/zinc/24/76/49/918247649.db2.gz HDCALTJUTWHNRK-CZUORRHYSA-N 2 0 290.411 1.603 20 30 CDEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183411007 918476746 /nfs/dbraw/zinc/47/67/46/918476746.db2.gz VVXYYZRJCGJXHR-BFYDXBDKSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000997359162 919122014 /nfs/dbraw/zinc/12/20/14/919122014.db2.gz FYTWDGDOSREUTM-OKILXGFUSA-N 2 0 277.412 1.073 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001185029929 919388351 /nfs/dbraw/zinc/38/83/51/919388351.db2.gz JJUHJDAWNGBNNR-LSDHHAIUSA-N 2 0 281.444 1.588 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001185032487 919390601 /nfs/dbraw/zinc/39/06/01/919390601.db2.gz ZDMBOHJFQRRFFP-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185085904 919394759 /nfs/dbraw/zinc/39/47/59/919394759.db2.gz NQPQQSXAHSVOBF-LSDHHAIUSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190949193 922299332 /nfs/dbraw/zinc/29/93/32/922299332.db2.gz YZNVWURXWQTMIX-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001098393865 936750495 /nfs/dbraw/zinc/75/04/95/936750495.db2.gz FEVLCCLWTACSHV-YJNKXOJESA-N 2 0 277.412 1.236 20 30 CDEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001098395315 936751317 /nfs/dbraw/zinc/75/13/17/936751317.db2.gz YYELOHKCYVZLAF-YJNKXOJESA-N 2 0 277.412 1.236 20 30 CDEDRP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111459485 936758813 /nfs/dbraw/zinc/75/88/13/936758813.db2.gz ZTOJYKVQIARRDG-OAGGEKHMSA-N 2 0 289.423 1.217 20 30 CDEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001192343757 923021400 /nfs/dbraw/zinc/02/14/00/923021400.db2.gz QYNQICYLHCXKHK-LSDHHAIUSA-N 2 0 277.412 1.027 20 30 CDEDRP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001192354492 923025128 /nfs/dbraw/zinc/02/51/28/923025128.db2.gz LZBTYFLZSAHBAK-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001036191794 923123981 /nfs/dbraw/zinc/12/39/81/923123981.db2.gz HIWDJXJLEXEUOZ-GJZGRUSLSA-N 2 0 291.439 1.178 20 30 CDEDRP C[C@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)CC[C@H]1C[NH3+] ZINC001205618623 923419401 /nfs/dbraw/zinc/41/94/01/923419401.db2.gz XSACWAWWVPBSKX-JSGCOSHPSA-N 2 0 260.385 1.704 20 30 CDEDRP C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001080017904 924468215 /nfs/dbraw/zinc/46/82/15/924468215.db2.gz YXHCUIZFGUXRAL-BZUAXINKSA-N 2 0 291.439 1.177 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001082575107 924962358 /nfs/dbraw/zinc/96/23/58/924962358.db2.gz LSRRSQVXTKCTLT-MCIONIFRSA-N 2 0 267.417 1.195 20 30 CDEDRP C=C(C)CC[N@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197831958 925227065 /nfs/dbraw/zinc/22/70/65/925227065.db2.gz GGLDYQUDQDISBA-UHFFFAOYSA-N 2 0 297.443 1.065 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001084355868 925237412 /nfs/dbraw/zinc/23/74/12/925237412.db2.gz LTLIKUBIEKVIPN-KBUPBQIOSA-N 2 0 277.412 1.045 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166687254 925252591 /nfs/dbraw/zinc/25/25/91/925252591.db2.gz LCBPJYZJFSBZFB-INIZCTEOSA-N 2 0 299.434 1.871 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001084455293 925257795 /nfs/dbraw/zinc/25/77/95/925257795.db2.gz OOIMKKXPKFRILG-BZUAXINKSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@H]21 ZINC001084973313 925532765 /nfs/dbraw/zinc/53/27/65/925532765.db2.gz GVPMUCQEWZEUHI-PMPSAXMXSA-N 2 0 291.439 1.580 20 30 CDEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368205 937054118 /nfs/dbraw/zinc/05/41/18/937054118.db2.gz KQTHLHCLTQWBGW-OWCLPIDISA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001085687605 926284610 /nfs/dbraw/zinc/28/46/10/926284610.db2.gz RJKYWXARZJFJRZ-HZPDHXFCSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799258 926410949 /nfs/dbraw/zinc/41/09/49/926410949.db2.gz NOVWDLWLDZJRAF-INIZCTEOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086413616 927093873 /nfs/dbraw/zinc/09/38/73/927093873.db2.gz PAEPYDIDYNERDS-JYJNAYRXSA-N 2 0 293.455 1.777 20 30 CDEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001103433486 937142224 /nfs/dbraw/zinc/14/22/24/937142224.db2.gz FTDRPAGKSKOLEK-BZUAXINKSA-N 2 0 291.439 1.178 20 30 CDEDRP CN(C)/C=[NH+]/c1ccc(-n2cc(CC[NH3+])cn2)cc1C#N ZINC001168952900 927558734 /nfs/dbraw/zinc/55/87/34/927558734.db2.gz SWMWXBHJDBRECP-WOJGMQOQSA-N 2 0 282.351 1.467 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001104210822 937196210 /nfs/dbraw/zinc/19/62/10/937196210.db2.gz CNLMFFVFUHCQOP-KLHDSHLOSA-N 2 0 293.455 1.587 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001108830547 928656198 /nfs/dbraw/zinc/65/61/98/928656198.db2.gz PFVOQAFVWPJISN-XHSDSOJGSA-N 2 0 293.455 1.872 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001086558547 929439313 /nfs/dbraw/zinc/43/93/13/929439313.db2.gz AFZCQYCURAPEJU-BZUAXINKSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608250 929815135 /nfs/dbraw/zinc/81/51/35/929815135.db2.gz SSBICLTZABONAB-ZIAGYGMSSA-N 2 0 281.444 1.920 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299336 930135528 /nfs/dbraw/zinc/13/55/28/930135528.db2.gz WENWRYSONOYJJA-OLZOCXBDSA-N 2 0 267.417 1.387 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135308079 930140066 /nfs/dbraw/zinc/14/00/66/930140066.db2.gz NURVFMXTILYWKH-CHWSQXEVSA-N 2 0 255.406 1.387 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135391352 930182458 /nfs/dbraw/zinc/18/24/58/930182458.db2.gz RWJKHSKWIQGTSK-CHWSQXEVSA-N 2 0 267.417 1.387 20 30 CDEDRP C=CC[NH2+]CCNC(=O)C[N@@H+](C)CCCCCC ZINC001135436856 930203893 /nfs/dbraw/zinc/20/38/93/930203893.db2.gz CPIPSJRRFOYMAY-UHFFFAOYSA-N 2 0 255.406 1.390 20 30 CDEDRP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135746073 930394642 /nfs/dbraw/zinc/39/46/42/930394642.db2.gz CVAGPAHKHJNPNZ-GJZGRUSLSA-N 2 0 299.459 1.404 20 30 CDEDRP C=C(C)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCCC1 ZINC001115707957 937414122 /nfs/dbraw/zinc/41/41/22/937414122.db2.gz GSKWRWUJZMQKOI-UHFFFAOYSA-N 2 0 281.444 1.923 20 30 CDEDRP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135937946 930548927 /nfs/dbraw/zinc/54/89/27/930548927.db2.gz CBAWQYIIXYZGEA-CABCVRRESA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]cnc1C ZINC001136036870 930615225 /nfs/dbraw/zinc/61/52/25/930615225.db2.gz ZKEFXBUFJSSRIM-NWDGAFQWSA-N 2 0 278.400 1.710 20 30 CDEDRP N#Cc1cc2ccccc2nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170898403 930693368 /nfs/dbraw/zinc/69/33/68/930693368.db2.gz MBCLWMKAWCSZIU-CYBMUJFWSA-N 2 0 255.325 1.542 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153312394 937438629 /nfs/dbraw/zinc/43/86/29/937438629.db2.gz HZVSRXWEQFYGOP-CABCVRRESA-N 2 0 281.444 1.872 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154158674 937511596 /nfs/dbraw/zinc/51/15/96/937511596.db2.gz FGQVWXPKGYUKCR-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171174747 931799513 /nfs/dbraw/zinc/79/95/13/931799513.db2.gz PELWPDBHTMYVAI-GJZGRUSLSA-N 2 0 281.444 1.779 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146338422 932235738 /nfs/dbraw/zinc/23/57/38/932235738.db2.gz GFWMJQIUIHWRNO-KBPBESRZSA-N 2 0 267.417 1.531 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146593002 932270143 /nfs/dbraw/zinc/27/01/43/932270143.db2.gz LRXDDKZMMOBFFR-STQMWFEESA-N 2 0 289.851 1.952 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147835523 932616686 /nfs/dbraw/zinc/61/66/86/932616686.db2.gz TZZLGYLOTLUSDM-KGLIPLIRSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@@H+](C)CC)C2)C1 ZINC001121325753 937867251 /nfs/dbraw/zinc/86/72/51/937867251.db2.gz NETNRXHHIFWWTM-UHFFFAOYSA-N 2 0 293.455 1.920 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC001122026863 937900295 /nfs/dbraw/zinc/90/02/95/937900295.db2.gz GVROBPWCIYPCLP-CABCVRRESA-N 2 0 297.443 1.239 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC001122065966 937902485 /nfs/dbraw/zinc/90/24/85/937902485.db2.gz IBNVLMZUTSERKK-STQMWFEESA-N 2 0 253.390 1.304 20 30 CDEDRP N#Cc1cc2c(nc1NC(=[NH2+])NCCCC[NH3+])CCCC2 ZINC001157099414 938454048 /nfs/dbraw/zinc/45/40/48/938454048.db2.gz PMINZEXGCKPXCB-UHFFFAOYSA-N 2 0 286.383 1.507 20 30 CDEDRP C[C@H]1CN(c2ncc3c(c2C#N)CCC[NH2+]C3)C[C@H](C)[NH2+]1 ZINC001158172196 938590136 /nfs/dbraw/zinc/59/01/36/938590136.db2.gz BUHKKYAWHDMDNW-RYUDHWBXSA-N 2 0 285.395 1.176 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](CC)CC ZINC001158616366 938642369 /nfs/dbraw/zinc/64/23/69/938642369.db2.gz PXZQEBVHUNAHOS-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP N#Cc1cnc2cc[nH]c(NCC[NH+]3CCC([NH3+])CC3)c1-2 ZINC001161870005 938937566 /nfs/dbraw/zinc/93/75/66/938937566.db2.gz BCYISQSMBOIUQL-UHFFFAOYSA-N 2 0 284.367 1.270 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(Cl)ncc1C#N ZINC001163122346 939205780 /nfs/dbraw/zinc/20/57/80/939205780.db2.gz GSRWYNSGFYIKDL-UHFFFAOYSA-N 2 0 294.790 1.885 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(C)ccc1CC#N ZINC001163128215 939207123 /nfs/dbraw/zinc/20/71/23/939207123.db2.gz FIUJCQLCCXKULN-UHFFFAOYSA-N 2 0 288.399 1.734 20 30 CDEDRP N#CCc1cc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)cc[nH+]1 ZINC001163290581 939240943 /nfs/dbraw/zinc/24/09/43/939240943.db2.gz JUJMWJWWSCSCNQ-CJNGLKHVSA-N 2 0 286.379 1.140 20 30 CDEDRP COc1cc(C#N)ccc1C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205239786 939841084 /nfs/dbraw/zinc/84/10/84/939841084.db2.gz FSVFQWUZFXKYMF-MRXNPFEDSA-N 2 0 289.379 1.243 20 30 CDEDRP C[C@H]1CC[N@H+](Cc2cc(C#N)ccn2)CC[C@H]1C[NH3+] ZINC001205639233 939910923 /nfs/dbraw/zinc/91/09/23/939910923.db2.gz XTVDMXVEOPLQEO-JSGCOSHPSA-N 2 0 258.369 1.760 20 30 CDEDRP N#Cc1ccc2c(C[N@H+]3CCCC[C@](O)(C[NH3+])C3)c[nH]c2c1 ZINC001205683010 939917716 /nfs/dbraw/zinc/91/77/16/939917716.db2.gz WEHHRGXFKGSPKC-KRWDZBQOSA-N 2 0 298.390 1.715 20 30 CDEDRP C[C@H]1C[N@H+](Cc2ccc(C#N)nc2)CCC[C@@H]1C[NH3+] ZINC001206003502 939966429 /nfs/dbraw/zinc/96/64/29/939966429.db2.gz ITELOXAVFQBUEF-GXTWGEPZSA-N 2 0 258.369 1.760 20 30 CDEDRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cccc(C#N)n2)CC1 ZINC001206317541 940016943 /nfs/dbraw/zinc/01/69/43/940016943.db2.gz GRRWMGJGZJRAJT-OAHLLOKOSA-N 2 0 258.369 1.904 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207551012 940214434 /nfs/dbraw/zinc/21/44/34/940214434.db2.gz QHGPIMMWSAWFMH-BPLDGKMQSA-N 2 0 279.428 1.339 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001209660373 940624901 /nfs/dbraw/zinc/62/49/01/940624901.db2.gz QHZPMSUWQDNBBW-HNNXBMFYSA-N 2 0 291.439 1.322 20 30 CDEDRP C[C@H]([NH3+])C1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000402250958 940892287 /nfs/dbraw/zinc/89/22/87/940892287.db2.gz IUDMLWDTPQIIOF-BLLLJJGKSA-N 2 0 273.380 1.651 20 30 CDEDRP C[C@H](C#N)c1ccc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cc1 ZINC001218871827 941282104 /nfs/dbraw/zinc/28/21/04/941282104.db2.gz UPYPZHLPIWQDQJ-MFKMUULPSA-N 2 0 292.408 1.271 20 30 CDEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)NC(C[NH3+])(CCC)CCC ZINC001221371645 941523628 /nfs/dbraw/zinc/52/36/28/941523628.db2.gz GLDYUMRCUAIJRG-BXUZGUMPSA-N 2 0 253.390 1.304 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001221974048 941557133 /nfs/dbraw/zinc/55/71/33/941557133.db2.gz XLHXZTKRBHGQTP-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001223977992 941710841 /nfs/dbraw/zinc/71/08/41/941710841.db2.gz PKHMDOOKURDMTJ-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001229692945 942514367 /nfs/dbraw/zinc/51/43/67/942514367.db2.gz MZIQYZUMOVIVEU-ARFHVFGLSA-N 2 0 291.439 1.369 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001229877748 942547130 /nfs/dbraw/zinc/54/71/30/942547130.db2.gz ZOGIHOXBQMYBHK-HUUCEWRRSA-N 2 0 279.428 1.369 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001316615478 942632457 /nfs/dbraw/zinc/63/24/57/942632457.db2.gz NFNMUMLVISTGIO-LVQVYYBASA-N 2 0 293.455 1.777 20 30 CDEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265312096 944337993 /nfs/dbraw/zinc/33/79/93/944337993.db2.gz HFXVYEYGVCWBGQ-UONOGXRCSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001265444588 944391754 /nfs/dbraw/zinc/39/17/54/944391754.db2.gz XWDYKUPHYYCMSS-ZDUSSCGKSA-N 2 0 253.390 1.095 20 30 CDEDRP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cn1 ZINC001236320541 944468876 /nfs/dbraw/zinc/46/88/76/944468876.db2.gz PZSOVCUTIWJROP-OKILXGFUSA-N 2 0 256.353 1.385 20 30 CDEDRP N#Cc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1 ZINC001236322476 944470793 /nfs/dbraw/zinc/47/07/93/944470793.db2.gz YNJHKRNWNWHKGN-BETUJISGSA-N 2 0 256.353 1.385 20 30 CDEDRP N#Cc1cc(-c2cncc(C[NH3+])c2)ccc1N1CC[NH2+]CC1 ZINC001239798352 945588389 /nfs/dbraw/zinc/58/83/89/945588389.db2.gz CWJAXSJYQOLUQZ-UHFFFAOYSA-N 2 0 293.374 1.489 20 30 CDEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@H]1CCCOC1 ZINC001254374621 947395488 /nfs/dbraw/zinc/39/54/88/947395488.db2.gz JRQJEIYOPKCNDG-HNNXBMFYSA-N 2 0 261.369 1.832 20 30 CDEDRP C=CCCCCCC[C@H](O)C[NH2+][C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001245987308 947881663 /nfs/dbraw/zinc/88/16/63/947881663.db2.gz YXKPPAVOUOTVOQ-ZJIFWQFVSA-N 2 0 282.428 1.450 20 30 CDEDRP CCCCCCCC[C@@H](O)C[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246036900 947912766 /nfs/dbraw/zinc/91/27/66/947912766.db2.gz ZTDXLYZJYFZTBL-APIJFGDWSA-N 2 0 254.418 1.987 20 30 CDEDRP C=C(C)C(=O)NCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255666153 948060587 /nfs/dbraw/zinc/06/05/87/948060587.db2.gz VGHBJWIWWQGGDC-GOOCMWNKSA-N 2 0 279.428 1.674 20 30 CDEDRP CC[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1cccc(C#N)c1 ZINC001246318845 948104294 /nfs/dbraw/zinc/10/42/94/948104294.db2.gz UHIOSKXVQHDWCY-JKSUJKDBSA-N 2 0 284.407 1.693 20 30 CDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)C1 ZINC001246518625 948220869 /nfs/dbraw/zinc/22/08/69/948220869.db2.gz ILEZJJWJUVOHMY-ZNMIVQPWSA-N 2 0 292.427 1.388 20 30 CDEDRP C#CCOC[C@@H](O)C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001251847196 950862990 /nfs/dbraw/zinc/86/29/90/950862990.db2.gz AVTVHJMNNCKFCH-KRWDZBQOSA-N 2 0 294.439 1.051 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001252491745 951362811 /nfs/dbraw/zinc/36/28/11/951362811.db2.gz VCCZDYYUGHFCNW-OAHLLOKOSA-N 2 0 268.401 1.014 20 30 CDEDRP C=C[C@@](C)(O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001252575377 951467016 /nfs/dbraw/zinc/46/70/16/951467016.db2.gz YSRLPACSGTXTFW-QGZVFWFLSA-N 2 0 289.423 1.465 20 30 CDEDRP C=CCCCCCC[C@H](O)C[NH2+]CCC[N@H+](C)CCO ZINC001253256881 951827401 /nfs/dbraw/zinc/82/74/01/951827401.db2.gz HBJZBDLFHVLZFP-INIZCTEOSA-N 2 0 286.460 1.778 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001318978646 958326961 /nfs/dbraw/zinc/32/69/61/958326961.db2.gz GNTPRTAEGBOVQY-RBSFLKMASA-N 2 0 281.444 1.776 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001322680558 960296203 /nfs/dbraw/zinc/29/62/03/960296203.db2.gz KXFQCLHYJNCTAF-HZPDHXFCSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340028205 962695148 /nfs/dbraw/zinc/69/51/48/962695148.db2.gz YWTFMKVWUGBZRB-ZNMIVQPWSA-N 2 0 297.443 1.286 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](CC(C)C)CC1 ZINC001341629675 963488361 /nfs/dbraw/zinc/48/83/61/963488361.db2.gz IOIKLTAKYLXNIF-CQSZACIVSA-N 2 0 267.417 1.470 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC001354319514 968639405 /nfs/dbraw/zinc/63/94/05/968639405.db2.gz UFIFVTGTHHVDRN-OLZOCXBDSA-N 2 0 253.390 1.271 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001100635780 968839498 /nfs/dbraw/zinc/83/94/98/968839498.db2.gz GBFWJXUIGQAGPJ-UHFFFAOYSA-N 2 0 293.455 1.779 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001402060652 976105221 /nfs/dbraw/zinc/10/52/21/976105221.db2.gz RUYICQZRCRZEME-ZDUSSCGKSA-N 2 0 287.835 1.661 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001382284702 977238316 /nfs/dbraw/zinc/23/83/16/977238316.db2.gz KMCGVVUIARCHBR-CHWSQXEVSA-N 2 0 299.846 1.660 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132376453 1163261060 /nfs/dbraw/zinc/26/10/60/1163261060.db2.gz NLUMZOLYATXAPV-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001133274442 1163623020 /nfs/dbraw/zinc/62/30/20/1163623020.db2.gz IDXHETBSKKVWHU-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001677423946 1174359117 /nfs/dbraw/zinc/35/91/17/1174359117.db2.gz UEAQDLRXMQVWTB-YMAMQOFZSA-N 2 0 281.444 1.728 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001570901897 1170316895 /nfs/dbraw/zinc/31/68/95/1170316895.db2.gz IOCSLVVELGPQAC-LSDHHAIUSA-N 2 0 295.471 1.975 20 30 CDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@@H+](C)C[C@H]1CC ZINC001574852046 1171026989 /nfs/dbraw/zinc/02/69/89/1171026989.db2.gz OCCJWZYRQBDRNT-NEPJUHHUSA-N 2 0 273.808 1.399 20 30 CDEDRP C[C@@H]1C[C@H](C)N(Cc2cccc(C#N)n2)C[C@@H]1C[NH3+] ZINC001576600237 1171464354 /nfs/dbraw/zinc/46/43/54/1171464354.db2.gz ZRBWHLIICWBZHH-AGIUHOORSA-N 2 0 258.369 1.758 20 30 CDEDRP C[C@@H](CCC#N)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000590592858 342578579 /nfs/dbraw/zinc/57/85/79/342578579.db2.gz AKXNAEGINQSNNW-AWEZNQCLSA-N 2 0 267.417 1.705 20 30 CDEDRP CC(C)(C#N)C[C@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000598723040 343884669 /nfs/dbraw/zinc/88/46/69/343884669.db2.gz CWYJVGHPGRANEO-HNNXBMFYSA-N 2 0 279.428 1.751 20 30 CDEDRP CCC[NH+]1CCC(NCc2cccc(C#N)n2)CC1 ZINC000602586647 350129175 /nfs/dbraw/zinc/12/91/75/350129175.db2.gz LSHYOYLTDMHRQB-UHFFFAOYSA-N 2 0 258.369 1.917 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](C)[NH2+]C)C(C)C ZINC000582132577 357216732 /nfs/dbraw/zinc/21/67/32/357216732.db2.gz QQZOBGIEXAKKAY-UONOGXRCSA-N 2 0 267.417 1.409 20 30 CDEDRP CCN1CCC([N@@H+]2CCCN(CC#CCOC)CC2)CC1 ZINC000643255222 359246362 /nfs/dbraw/zinc/24/63/62/359246362.db2.gz GUGLXMUCXQPFLU-UHFFFAOYSA-N 2 0 293.455 1.128 20 30 CDEDRP C=CCC[C@@H](CO)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639238398 359305851 /nfs/dbraw/zinc/30/58/51/359305851.db2.gz LKLNISBXNXNBOD-AWEZNQCLSA-N 2 0 270.417 1.138 20 30 CDEDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000268429247 364773451 /nfs/dbraw/zinc/77/34/51/364773451.db2.gz OMVUEFACFWURKH-UHFFFAOYSA-N 2 0 287.407 1.883 20 30 CDEDRP C[NH+]=C(NCC[N@H+](C)C1CCCC1)NCc1ccco1 ZINC000171540005 365307669 /nfs/dbraw/zinc/30/76/69/365307669.db2.gz XBNRVFPUTJTWBJ-UHFFFAOYSA-N 2 0 278.400 1.819 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000302946735 367025958 /nfs/dbraw/zinc/02/59/58/367025958.db2.gz CTRQIGMCTMPKOV-HNNXBMFYSA-N 2 0 291.439 1.322 20 30 CDEDRP C[C@@H](CCN1CCOCC1)[NH2+]Cc1cc(C#N)cs1 ZINC000347766375 372331785 /nfs/dbraw/zinc/33/17/85/372331785.db2.gz BLRLFJQFVNSRDK-LBPRGKRZSA-N 2 0 279.409 1.820 20 30 CDEDRP C=CCC[C@H](O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000246645955 376963814 /nfs/dbraw/zinc/96/38/14/376963814.db2.gz CMXQIJXZZBEFEN-HOTGVXAUSA-N 2 0 281.444 1.025 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]([NH2+]C)C2)CC1 ZINC000417543435 377929440 /nfs/dbraw/zinc/92/94/40/377929440.db2.gz UQCYMVWNHDVIJZ-CQSZACIVSA-N 2 0 280.416 1.030 20 30 CDEDRP C=C(C)C[N@H+](CCC)CCN1CC[NH+](CC)CC1 ZINC000344122873 379179961 /nfs/dbraw/zinc/17/99/61/379179961.db2.gz FMSYJZPMYBBHDJ-UHFFFAOYSA-N 2 0 253.434 1.912 20 30 CDEDRP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350953516 391014073 /nfs/dbraw/zinc/01/40/73/391014073.db2.gz WKPUKEQXFPFKMH-OAHLLOKOSA-N 2 0 293.455 1.849 20 30 CDEDRP C#CCNC(=O)CC[N@@H+](C)CCCc1nccn1CCC ZINC000293985038 391040160 /nfs/dbraw/zinc/04/01/60/391040160.db2.gz FAWLXCPURQRMCJ-UHFFFAOYSA-N 2 0 290.411 1.297 20 30 CDEDRP C=CCOCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000339059535 391248638 /nfs/dbraw/zinc/24/86/38/391248638.db2.gz LRCVJRJTCPPLCN-CVEARBPZSA-N 2 0 281.444 1.147 20 30 CDEDRP C[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCN1C1CC[NH+](C)CC1 ZINC000339062194 391248647 /nfs/dbraw/zinc/24/86/47/391248647.db2.gz ZJHQDEGYGNTEJI-VYDXJSESSA-N 2 0 290.455 1.779 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCC1C[NH2+]C1)C(C)C ZINC000417065866 391341963 /nfs/dbraw/zinc/34/19/63/391341963.db2.gz QDSCQMXZKKEPPV-HNNXBMFYSA-N 2 0 294.443 1.204 20 30 CDEDRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)NC(=O)NC)CC1 ZINC000330500132 391437137 /nfs/dbraw/zinc/43/71/37/391437137.db2.gz NEDFEQDZFDWLFC-LBPRGKRZSA-N 2 0 298.431 1.089 20 30 CDEDRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000423199548 397602377 /nfs/dbraw/zinc/60/23/77/397602377.db2.gz BYNFMCNJDGHMSQ-GFCCVEGCSA-N 2 0 276.359 1.253 20 30 CDEDRP C=CC[C@]1(C(=O)N[C@H](C)C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662702710 413349425 /nfs/dbraw/zinc/34/94/25/413349425.db2.gz CTZMQPIIOFTMDV-CZUORRHYSA-N 2 0 279.428 1.531 20 30 CDEDRP CN(CCC[N@H+](C)CCC(C)(C)C#N)CC[NH+](C)C ZINC000344048930 224943167 /nfs/dbraw/zinc/94/31/67/224943167.db2.gz ZHKGXRPLTBKJAJ-UHFFFAOYSA-N 2 0 268.449 1.742 20 30 CDEDRP C=C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414759129 263039745 /nfs/dbraw/zinc/03/97/45/263039745.db2.gz NUZQGEHWVZRQGK-UONOGXRCSA-N 2 0 265.401 1.224 20 30 CDEDRP C[NH+]=C(NC[C@@H](C1CC1)[NH+](C)C)N1CCSC(C)(C)C1 ZINC000125523423 264012143 /nfs/dbraw/zinc/01/21/43/264012143.db2.gz VMQVDHCQGICAKG-ZDUSSCGKSA-N 2 0 298.500 1.729 20 30 CDEDRP CNC(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)=[NH+]C ZINC000190527636 264393086 /nfs/dbraw/zinc/39/30/86/264393086.db2.gz PZJULLVSJDIGFI-OAHLLOKOSA-N 2 0 290.411 1.072 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000171740633 329079666 /nfs/dbraw/zinc/07/96/66/329079666.db2.gz AYDXHUODPHNMJK-HNNXBMFYSA-N 2 0 294.443 1.372 20 30 CDEDRP C[NH+]=C(NCC[NH+]1CCCC1)NC[C@]1(C)CCCS1 ZINC000179216431 329206048 /nfs/dbraw/zinc/20/60/48/329206048.db2.gz DXQAAFGBKPAZMP-AWEZNQCLSA-N 2 0 284.473 1.533 20 30 CDEDRP CN(CCCC#N)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188311781 329365988 /nfs/dbraw/zinc/36/59/88/329365988.db2.gz JVUZMPVFRPNZIL-KRWDZBQOSA-N 2 0 287.407 1.859 20 30 CDEDRP CC(C)(C)NC(=[NH2+])NCC1([NH+]2CCCC2)CCOCC1 ZINC000262550720 330020795 /nfs/dbraw/zinc/02/07/95/330020795.db2.gz YEOOKJDPOBRBSX-UHFFFAOYSA-N 2 0 282.432 1.334 20 30 CDEDRP CN1CC[NH+]=C1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000262667504 330025503 /nfs/dbraw/zinc/02/55/03/330025503.db2.gz PJRHPOAMPVWKEE-CQSZACIVSA-N 2 0 264.417 1.675 20 30 CDEDRP C[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC1CCCC1 ZINC000263114689 330044273 /nfs/dbraw/zinc/04/42/73/330044273.db2.gz FNIPDXNRBOGMAF-GFCCVEGCSA-N 2 0 264.417 1.578 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC000263237741 330050216 /nfs/dbraw/zinc/05/02/16/330050216.db2.gz KEBTWVKMNVUSHC-CHWSQXEVSA-N 2 0 282.432 1.355 20 30 CDEDRP C[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)C[NH+]1CCCCC1 ZINC000424126451 330258888 /nfs/dbraw/zinc/25/88/88/330258888.db2.gz BTFRJHWZROWLET-ZIAGYGMSSA-N 2 0 280.416 1.246 20 30 CDEDRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424139484 330279140 /nfs/dbraw/zinc/27/91/40/330279140.db2.gz ANMCRVVQCOVBKQ-UONOGXRCSA-N 2 0 280.416 1.244 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000490590347 332093875 /nfs/dbraw/zinc/09/38/75/332093875.db2.gz QSROJDROBFIOKB-JKSUJKDBSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CCNC(=O)CC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000491122616 332152828 /nfs/dbraw/zinc/15/28/28/332152828.db2.gz WYJZHDQKCYHVQE-NVXWUHKLSA-N 2 0 285.391 1.161 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000491306316 332186481 /nfs/dbraw/zinc/18/64/81/332186481.db2.gz MKUJASIYYVMWKZ-CYBMUJFWSA-N 2 0 267.417 1.224 20 30 CDEDRP C=CCC[C@H](C)[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001752097687 1159421266 /nfs/dbraw/zinc/42/12/66/1159421266.db2.gz ADLONMAYPITSTQ-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001754920194 1159488106 /nfs/dbraw/zinc/48/81/06/1159488106.db2.gz WULLAHVINJQXDH-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087908555 1160283624 /nfs/dbraw/zinc/28/36/24/1160283624.db2.gz GCRYNILABPDYRV-OWCLPIDISA-N 2 0 291.439 1.437 20 30 CDEDRP COCC#CC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000677819662 482299286 /nfs/dbraw/zinc/29/92/86/482299286.db2.gz JLTXBWMUJAGBRU-UHFFFAOYSA-N 2 0 293.455 1.127 20 30 CDEDRP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001752820249 1184923569 /nfs/dbraw/zinc/92/35/69/1184923569.db2.gz KTEZHEJGASEGMA-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000764442363 575907635 /nfs/dbraw/zinc/90/76/35/575907635.db2.gz PFSWNUJIVDCEOY-CQSZACIVSA-N 2 0 293.411 1.897 20 30 CDEDRP C#CCCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000766894239 576143253 /nfs/dbraw/zinc/14/32/53/576143253.db2.gz BAMFHRAWFYCNDV-UHFFFAOYSA-N 2 0 264.413 1.834 20 30 CDEDRP C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](C)C(C)(C)C2)CC1 ZINC000759920487 576444038 /nfs/dbraw/zinc/44/40/38/576444038.db2.gz FEOJJFVFBCPYHG-HNNXBMFYSA-N 2 0 291.439 1.132 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000743493523 576642806 /nfs/dbraw/zinc/64/28/06/576642806.db2.gz XHDACPHGAOKAOP-INIZCTEOSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000969458731 612966327 /nfs/dbraw/zinc/96/63/27/612966327.db2.gz XDLYGPFXYXVWPQ-MRXNPFEDSA-N 2 0 299.418 1.228 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000959978472 613279927 /nfs/dbraw/zinc/27/99/27/613279927.db2.gz ZWLLLZQYEJLXTK-SUJAAXHWSA-N 2 0 291.439 1.339 20 30 CDEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000970057809 613300349 /nfs/dbraw/zinc/30/03/49/613300349.db2.gz FDKUJZUWVWQEEC-CYBMUJFWSA-N 2 0 298.390 1.961 20 30 CDEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000962729820 613319771 /nfs/dbraw/zinc/31/97/71/613319771.db2.gz IRCSBSQETQSNIU-FVQHAEBGSA-N 2 0 297.402 1.041 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968547871 613331967 /nfs/dbraw/zinc/33/19/67/613331967.db2.gz BCVQUTRGYALYLG-GJZGRUSLSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000969099620 613385529 /nfs/dbraw/zinc/38/55/29/613385529.db2.gz QJQKYUYEORFTAC-CHWSQXEVSA-N 2 0 285.819 1.414 20 30 CDEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000970927434 613530877 /nfs/dbraw/zinc/53/08/77/613530877.db2.gz DQHXUJZGTWTTQC-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000970163126 613533190 /nfs/dbraw/zinc/53/31/90/613533190.db2.gz LRQBLOOBEWTVNA-CYBMUJFWSA-N 2 0 296.374 1.408 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974992454 613608328 /nfs/dbraw/zinc/60/83/28/613608328.db2.gz GQTZZYYEAGJGCB-OAHLLOKOSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000947853748 613742866 /nfs/dbraw/zinc/74/28/66/613742866.db2.gz VYQFQFGCQXCQCB-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCCN2C)C(C)(C)C1 ZINC000974727719 613827691 /nfs/dbraw/zinc/82/76/91/613827691.db2.gz CQCXETUNJQJGHO-KGLIPLIRSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000981333686 613872828 /nfs/dbraw/zinc/87/28/28/613872828.db2.gz DLMHYHTWCBJFMJ-GJZGRUSLSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000891522175 617458817 /nfs/dbraw/zinc/45/88/17/617458817.db2.gz NTWMFSIDSILKNO-HUUCEWRRSA-N 2 0 292.427 1.173 20 30 CDEDRP CC(C)CCNC(=[NH2+])NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000104159697 617696459 /nfs/dbraw/zinc/69/64/59/617696459.db2.gz IGIPSTYSGQHMHY-ZIAGYGMSSA-N 2 0 284.448 1.436 20 30 CDEDRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCSCC2)C1 ZINC000157384533 617982610 /nfs/dbraw/zinc/98/26/10/617982610.db2.gz GVVKCQNASSWCOE-AWEZNQCLSA-N 2 0 298.500 1.718 20 30 CDEDRP C[NH+](C)CC1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000042393604 623844973 /nfs/dbraw/zinc/84/49/73/623844973.db2.gz YZTVLJPXCHWFMM-KRWDZBQOSA-N 2 0 287.407 1.865 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911674589 629404807 /nfs/dbraw/zinc/40/48/07/629404807.db2.gz VGAKANAQTVJYHD-ZIAGYGMSSA-N 2 0 269.433 1.933 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C1 ZINC000911737550 629457983 /nfs/dbraw/zinc/45/79/83/629457983.db2.gz CJPBEASDNSNJIE-STQMWFEESA-N 2 0 255.406 1.624 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@@]1(C)CCCO1 ZINC000154554062 632292146 /nfs/dbraw/zinc/29/21/46/632292146.db2.gz YVDGTCLEJXWVPB-XJKSGUPXSA-N 2 0 294.443 1.205 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001027650420 677858252 /nfs/dbraw/zinc/85/82/52/677858252.db2.gz GFEJYOZONVRJLL-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1(C)C ZINC000996674754 677946880 /nfs/dbraw/zinc/94/68/80/677946880.db2.gz WFHBSUVSKWMTDL-LSDHHAIUSA-N 2 0 291.439 1.321 20 30 CDEDRP CC[C@@H](O)CN[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000811653431 677961233 /nfs/dbraw/zinc/96/12/33/677961233.db2.gz DDMFGMAWXCVKPK-MRXNPFEDSA-N 2 0 290.411 1.133 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009225512 678003697 /nfs/dbraw/zinc/00/36/97/678003697.db2.gz MQAURPZHDFQPKS-CQSZACIVSA-N 2 0 277.412 1.239 20 30 CDEDRP C[C@H]1CCCN(C(=[NH2+])NCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000303904998 678161005 /nfs/dbraw/zinc/16/10/05/678161005.db2.gz VHKQLMHLVLRUJN-KBPBESRZSA-N 2 0 266.433 1.765 20 30 CDEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]21 ZINC001036736431 678179014 /nfs/dbraw/zinc/17/90/14/678179014.db2.gz ZTJQFFSYNBSOFP-CABCVRRESA-N 2 0 289.423 1.027 20 30 CDEDRP C=CCC[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034375424 678181468 /nfs/dbraw/zinc/18/14/68/678181468.db2.gz BMUQZDZHEGRMGO-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001036091493 678202564 /nfs/dbraw/zinc/20/25/64/678202564.db2.gz FHWHERDCDHKSIO-BBRMVZONSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001009198818 678229852 /nfs/dbraw/zinc/22/98/52/678229852.db2.gz CXXMFBRBFKJEIN-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@H](C)C[NH+]1CCCCC1 ZINC000303871794 679683738 /nfs/dbraw/zinc/68/37/38/679683738.db2.gz GBJGBZUDVLPRMV-STQMWFEESA-N 2 0 270.421 1.048 20 30 CDEDRP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001024366354 679685103 /nfs/dbraw/zinc/68/51/03/679685103.db2.gz QUBPTEWVIRKPHT-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040528475 677763797 /nfs/dbraw/zinc/76/37/97/677763797.db2.gz LQOOYCQPTSUCJS-WBVHZDCISA-N 2 0 291.439 1.439 20 30 CDEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001005998872 677781464 /nfs/dbraw/zinc/78/14/64/677781464.db2.gz VNALGFRQLPUEBP-GDBMZVCRSA-N 2 0 291.439 1.130 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001001762986 677828287 /nfs/dbraw/zinc/82/82/87/677828287.db2.gz TWKHWGCGKMPVNI-HOCLYGCPSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052938090 677917378 /nfs/dbraw/zinc/91/73/78/677917378.db2.gz QQNHGVZKZSOAST-OAHLLOKOSA-N 2 0 279.428 1.629 20 30 CDEDRP C#CCN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000886659384 677973063 /nfs/dbraw/zinc/97/30/63/677973063.db2.gz LJKPNRMZJVIMJU-OWCLPIDISA-N 2 0 263.429 1.404 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001031918184 678007536 /nfs/dbraw/zinc/00/75/36/678007536.db2.gz AAVXLEVUXIASJE-MRXNPFEDSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033197214 678154507 /nfs/dbraw/zinc/15/45/07/678154507.db2.gz HKKLSYDHVAUZQF-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001041354139 678206368 /nfs/dbraw/zinc/20/63/68/678206368.db2.gz MTSNCDLHYGXHSJ-QGZVFWFLSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033081771 678235173 /nfs/dbraw/zinc/23/51/73/678235173.db2.gz NWFMQEBAMLWDTM-HUUCEWRRSA-N 2 0 277.412 1.047 20 30 CDEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1(C)C ZINC000995880219 678250138 /nfs/dbraw/zinc/25/01/38/678250138.db2.gz JFTFWPUSGUZNCR-CABCVRRESA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015114183 678254643 /nfs/dbraw/zinc/25/46/43/678254643.db2.gz MWQIBFQTZYFWSP-AWEZNQCLSA-N 2 0 284.363 1.715 20 30 CDEDRP C=CCNC(=O)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925979520 678268688 /nfs/dbraw/zinc/26/86/88/678268688.db2.gz NZFJCQHSMQXHOI-ZDUSSCGKSA-N 2 0 275.396 1.701 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000989738379 678276160 /nfs/dbraw/zinc/27/61/60/678276160.db2.gz AEFADWQCVRGZLH-INIZCTEOSA-N 2 0 293.455 1.971 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995549166 678291026 /nfs/dbraw/zinc/29/10/26/678291026.db2.gz ACOVYLJSSBQMFC-KBPBESRZSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000804564742 678291126 /nfs/dbraw/zinc/29/11/26/678291126.db2.gz LGJVCBSBHGIIPN-QXULXFAOSA-N 2 0 289.423 1.168 20 30 CDEDRP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001027417060 678321631 /nfs/dbraw/zinc/32/16/31/678321631.db2.gz SVXKNMPZBBXLBS-OWCLPIDISA-N 2 0 293.455 1.826 20 30 CDEDRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=[NH2+])N(C)C2CC2)C1 ZINC000305804193 678335950 /nfs/dbraw/zinc/33/59/50/678335950.db2.gz FTQOLLRHBJLLAS-STQMWFEESA-N 2 0 266.433 1.763 20 30 CDEDRP CC(C)NC(=[NH2+])NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000303904816 678381272 /nfs/dbraw/zinc/38/12/72/678381272.db2.gz VDOVLUVFJGHFIH-ZDUSSCGKSA-N 2 0 254.422 1.811 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001016332224 678445021 /nfs/dbraw/zinc/44/50/21/678445021.db2.gz DEDXUDJSJKNCBZ-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001036896182 678597209 /nfs/dbraw/zinc/59/72/09/678597209.db2.gz KYIVVWCZWYDJMX-JKSUJKDBSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996674850 678620776 /nfs/dbraw/zinc/62/07/76/678620776.db2.gz CZGGDBXNRNXMMD-MRXNPFEDSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992415655 678663794 /nfs/dbraw/zinc/66/37/94/678663794.db2.gz MZMJGHJQQNDLDV-BFYDXBDKSA-N 2 0 291.439 1.627 20 30 CDEDRP CC#CCN1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032042438 678699409 /nfs/dbraw/zinc/69/94/09/678699409.db2.gz CZHVOIHZRQKRMP-HOTGVXAUSA-N 2 0 289.423 1.075 20 30 CDEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000178564294 678743303 /nfs/dbraw/zinc/74/33/03/678743303.db2.gz ISHINKWZCZMXHH-HNNXBMFYSA-N 2 0 274.412 1.475 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CCC)CC2)CC1 ZINC000997366136 678758324 /nfs/dbraw/zinc/75/83/24/678758324.db2.gz YPVQSHYBRFWDHU-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001054735298 678790202 /nfs/dbraw/zinc/79/02/02/678790202.db2.gz CFKCBUHGSZKRSL-OCCSQVGLSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000997363632 678819190 /nfs/dbraw/zinc/81/91/90/678819190.db2.gz HZSCWJJTVCAJIQ-OAHLLOKOSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001020288888 678827620 /nfs/dbraw/zinc/82/76/20/678827620.db2.gz MKWLBJHKJVWXTK-YHUYYLMFSA-N 2 0 291.439 1.816 20 30 CDEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001072953012 678833778 /nfs/dbraw/zinc/83/37/78/678833778.db2.gz JHSKWDAJCPAPKQ-OAHLLOKOSA-N 2 0 293.455 1.683 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCC(C)C)C2)CC1 ZINC001031435198 678875920 /nfs/dbraw/zinc/87/59/20/678875920.db2.gz SYWOTATUAYYCFM-UHFFFAOYSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000787301472 678887551 /nfs/dbraw/zinc/88/75/51/678887551.db2.gz BHHXEVSSRVBAQH-HUUCEWRRSA-N 2 0 252.402 1.736 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@H](Cn1ccnc1)c1ccccc1 ZINC000922662155 678888043 /nfs/dbraw/zinc/88/80/43/678888043.db2.gz XKNJMZDDIFXZII-MRXNPFEDSA-N 2 0 298.390 1.858 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015970111 678911526 /nfs/dbraw/zinc/91/15/26/678911526.db2.gz IVPUSTVYSGYEAD-MRXNPFEDSA-N 2 0 291.439 1.485 20 30 CDEDRP CNC(NCC1CC[NH+](CCC(C)C)CC1)=[NH+]C ZINC000304774270 678958711 /nfs/dbraw/zinc/95/87/11/678958711.db2.gz FYDHEOGPXUUSSO-UHFFFAOYSA-N 2 0 254.422 1.539 20 30 CDEDRP C#CC[C@@H](CO)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000883123617 678971531 /nfs/dbraw/zinc/97/15/31/678971531.db2.gz DXHOLIYJZGOTDI-HNNXBMFYSA-N 2 0 276.380 1.101 20 30 CDEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005383465 678997497 /nfs/dbraw/zinc/99/74/97/678997497.db2.gz HMUQZJQXWMRUSU-MRXNPFEDSA-N 2 0 291.439 1.415 20 30 CDEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001016972614 679020837 /nfs/dbraw/zinc/02/08/37/679020837.db2.gz WLOASHRRHUQALG-OAHLLOKOSA-N 2 0 289.423 1.076 20 30 CDEDRP C[C@@H](C#N)OCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000801916397 679041425 /nfs/dbraw/zinc/04/14/25/679041425.db2.gz XEKYTVWARQZGLU-HNNXBMFYSA-N 2 0 295.427 1.349 20 30 CDEDRP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001052657999 679042829 /nfs/dbraw/zinc/04/28/29/679042829.db2.gz CIZNUSSACWETMD-JYJNAYRXSA-N 2 0 291.439 1.321 20 30 CDEDRP CC[C@H](C)NC(=[NH2+])NCC[C@@H](C)[NH+]1CCCCC1 ZINC000305836826 679043587 /nfs/dbraw/zinc/04/35/87/679043587.db2.gz XEQQQHUFSVGOFJ-QWHCGFSZSA-N 2 0 254.422 1.954 20 30 CDEDRP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001000518338 679083689 /nfs/dbraw/zinc/08/36/89/679083689.db2.gz PGAVDSCGIYPDQS-OAHLLOKOSA-N 2 0 277.412 1.405 20 30 CDEDRP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052378455 679091591 /nfs/dbraw/zinc/09/15/91/679091591.db2.gz VTYXOBXNJAWAJC-CVEARBPZSA-N 2 0 291.439 1.463 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032042838 679130874 /nfs/dbraw/zinc/13/08/74/679130874.db2.gz LPSUHYMUQKUREI-CVEARBPZSA-N 2 0 291.439 1.627 20 30 CDEDRP C#C[C@@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)C(C)C ZINC000848910157 679136439 /nfs/dbraw/zinc/13/64/39/679136439.db2.gz HKYZLOBRDBAVCB-LSDHHAIUSA-N 2 0 250.386 1.487 20 30 CDEDRP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001000755889 679152606 /nfs/dbraw/zinc/15/26/06/679152606.db2.gz BYMKJZJIPZCYMV-MRXNPFEDSA-N 2 0 289.423 1.242 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001026148369 679162604 /nfs/dbraw/zinc/16/26/04/679162604.db2.gz CJBBUOASERWUTF-LFPSSSAGSA-N 2 0 291.439 1.482 20 30 CDEDRP CC[N@H+](C)CCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288651916 679194925 /nfs/dbraw/zinc/19/49/25/679194925.db2.gz FITNMJFEAVSPPF-UHFFFAOYSA-N 2 0 256.300 1.643 20 30 CDEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997422239 679197723 /nfs/dbraw/zinc/19/77/23/679197723.db2.gz UDWPAPMYWNBEFN-UKRRQHHQSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000999683195 679207317 /nfs/dbraw/zinc/20/73/17/679207317.db2.gz YKOBCPFJYIILNA-IYXRBSQSSA-N 2 0 265.401 1.093 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995973970 679209811 /nfs/dbraw/zinc/20/98/11/679209811.db2.gz GPSREGRAIOSAOU-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001028636353 679358788 /nfs/dbraw/zinc/35/87/88/679358788.db2.gz ACWZDNCXABTRFQ-KGLIPLIRSA-N 2 0 288.395 1.070 20 30 CDEDRP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001072955424 679373890 /nfs/dbraw/zinc/37/38/90/679373890.db2.gz KAOAMXSGEYOMAY-OAHLLOKOSA-N 2 0 291.439 1.130 20 30 CDEDRP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001052712925 679429486 /nfs/dbraw/zinc/42/94/86/679429486.db2.gz PVSZHVDCUMXBRP-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001031817174 679436845 /nfs/dbraw/zinc/43/68/45/679436845.db2.gz SFVVPHPCISFWRT-UHFFFAOYSA-N 2 0 270.336 1.182 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009203856 679438957 /nfs/dbraw/zinc/43/89/57/679438957.db2.gz SUTQSFCSUQEBEL-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049214082 679478085 /nfs/dbraw/zinc/47/80/85/679478085.db2.gz ZWHVGQMVAIHBEO-HRCADAONSA-N 2 0 291.439 1.295 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N(CCC)CC[NH+]1CCCCC1 ZINC000804566258 679482603 /nfs/dbraw/zinc/48/26/03/679482603.db2.gz ACIJVZIRCCSCMC-UHFFFAOYSA-N 2 0 281.444 1.829 20 30 CDEDRP C=CCN1CC(N(C)C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001042715757 679499066 /nfs/dbraw/zinc/49/90/66/679499066.db2.gz NQCAXDWMKJIIBW-UONOGXRCSA-N 2 0 277.412 1.189 20 30 CDEDRP CCCCNC(=[NH2+])NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000170907928 679592644 /nfs/dbraw/zinc/59/26/44/679592644.db2.gz HLKYYBIOGRKKPE-ZDUSSCGKSA-N 2 0 270.421 1.048 20 30 CDEDRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCOCCC#N ZINC000887134198 679655780 /nfs/dbraw/zinc/65/57/80/679655780.db2.gz FBLXVHHVJPKZPM-CQSZACIVSA-N 2 0 274.368 1.522 20 30 CDEDRP C#CC[NH2+]CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379682271 1159710837 /nfs/dbraw/zinc/71/08/37/1159710837.db2.gz WQPRPNNARDYXKI-NVXWUHKLSA-N 2 0 299.418 1.379 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815845 1163068834 /nfs/dbraw/zinc/06/88/34/1163068834.db2.gz WJJVASHXGKZNJT-UHFFFAOYSA-N 2 0 281.444 1.923 20 30 CDEDRP CC#CC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132107088 1163173460 /nfs/dbraw/zinc/17/34/60/1163173460.db2.gz XQQGSSBWZJGVMD-LSDHHAIUSA-N 2 0 291.439 1.463 20 30 CDEDRP C[NH+](C)CCCC(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001133040344 1163540695 /nfs/dbraw/zinc/54/06/95/1163540695.db2.gz MHVKDOLDPWOVFM-UHFFFAOYSA-N 2 0 288.395 1.106 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133820099 1163908686 /nfs/dbraw/zinc/90/86/86/1163908686.db2.gz YKRSGWRCOLZXDJ-KBPBESRZSA-N 2 0 267.417 1.531 20 30 CDEDRP N#Cc1cnc2cc[nH]c(NCc3noc4c3C[NH2+]CC4)c1-2 ZINC001155498073 1167199930 /nfs/dbraw/zinc/19/99/30/1167199930.db2.gz RBHHYXKFWRWGJJ-UHFFFAOYSA-N 2 0 294.318 1.680 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001570513308 1170174828 /nfs/dbraw/zinc/17/48/28/1170174828.db2.gz JAWDMUDMCWMSLJ-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH2+]CC(=O)N1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001574729869 1171000752 /nfs/dbraw/zinc/00/07/52/1171000752.db2.gz RVDFGJOIMPQHLQ-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC001574908178 1171045967 /nfs/dbraw/zinc/04/59/67/1171045967.db2.gz GNCTYYBLZLSZDC-ZDUSSCGKSA-N 2 0 276.384 1.765 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1C[C@H]([NH3+])C1)C(C)C ZINC001574927372 1171053256 /nfs/dbraw/zinc/05/32/56/1171053256.db2.gz LOWAJAMDPFGSSN-KKUMJFAQSA-N 2 0 294.443 1.474 20 30 CDEDRP N#CC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCOCC1 ZINC001580038942 1172329895 /nfs/dbraw/zinc/32/98/95/1172329895.db2.gz WQEKJBWNCGYTSV-MGPQQGTHSA-N 2 0 263.385 1.284 20 30 CDEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C2 ZINC001580072089 1172342111 /nfs/dbraw/zinc/34/21/11/1172342111.db2.gz IQZWJOKRXZXFBU-CZUORRHYSA-N 2 0 255.365 1.615 20 30 CDEDRP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001716039280 1180013630 /nfs/dbraw/zinc/01/36/30/1180013630.db2.gz QFLHQXNLUAVIRI-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001724956091 1181808308 /nfs/dbraw/zinc/80/83/08/1181808308.db2.gz GBWKARWKOLDPON-CQSZACIVSA-N 2 0 279.428 1.177 20 30 CDEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001732558082 1183007899 /nfs/dbraw/zinc/00/78/99/1183007899.db2.gz NYLNSNJTWJHTIT-ZIAGYGMSSA-N 2 0 269.433 1.633 20 30 CDEDRP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001752998153 1184987340 /nfs/dbraw/zinc/98/73/40/1184987340.db2.gz ZXJUASBHTDLRCD-OAHLLOKOSA-N 2 0 279.428 1.274 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001753130580 1185077633 /nfs/dbraw/zinc/07/76/33/1185077633.db2.gz FQIAAAQTDWSWGK-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001753156590 1185090486 /nfs/dbraw/zinc/09/04/86/1185090486.db2.gz XCALWBIJWDIKFR-UHFFFAOYSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001754320175 1185574038 /nfs/dbraw/zinc/57/40/38/1185574038.db2.gz UDRFPILGKFODOU-AWEZNQCLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001754684480 1185703310 /nfs/dbraw/zinc/70/33/10/1185703310.db2.gz QRGWTXURXQQNBP-OAHLLOKOSA-N 2 0 267.417 1.485 20 30 CDEDRP C#CC[NH2+]CC[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001754940788 1185767353 /nfs/dbraw/zinc/76/73/53/1185767353.db2.gz WUGMONCRUCADIM-HNNXBMFYSA-N 2 0 279.428 1.180 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001755166832 1185837104 /nfs/dbraw/zinc/83/71/04/1185837104.db2.gz GVTBSZAPIXACOV-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001755301741 1185901563 /nfs/dbraw/zinc/90/15/63/1185901563.db2.gz RLIMEMDRIJRVNM-CYBMUJFWSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001755587451 1186003860 /nfs/dbraw/zinc/00/38/60/1186003860.db2.gz DEJDZENDHPACBO-KBPBESRZSA-N 2 0 267.417 1.482 20 30 CDEDRP C=CCC[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001755604978 1186009476 /nfs/dbraw/zinc/00/94/76/1186009476.db2.gz FLHJWUSHZQXJKG-ZDUSSCGKSA-N 2 0 267.417 1.341 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134772374 1164102151 /nfs/dbraw/zinc/10/21/51/1164102151.db2.gz COXNGOYDEBEMNW-OLZOCXBDSA-N 2 0 269.433 1.776 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134772376 1164102164 /nfs/dbraw/zinc/10/21/64/1164102164.db2.gz COXNGOYDEBEMNW-STQMWFEESA-N 2 0 269.433 1.776 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001097100824 1166965567 /nfs/dbraw/zinc/96/55/67/1166965567.db2.gz YRCQHFHEVNZYEU-RYPNDVFKSA-N 2 0 277.412 1.234 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001176256441 914027011 /nfs/dbraw/zinc/02/70/11/914027011.db2.gz BTSVIXRLLQMLEQ-HNNXBMFYSA-N 2 0 281.444 1.616 20 30 CDEDRP C=C(C)C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001267323515 897591843 /nfs/dbraw/zinc/59/18/43/897591843.db2.gz XEIIONXOAOYOQA-CQSZACIVSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001112531254 901013667 /nfs/dbraw/zinc/01/36/67/901013667.db2.gz OBYXPBKUCUOZEJ-ZOBUZTSGSA-N 2 0 291.439 1.178 20 30 CDEDRP N#Cc1ccc(NC(=[NH2+])NCCCC[NH3+])c2cc[nH]c21 ZINC001167881864 901638851 /nfs/dbraw/zinc/63/88/51/901638851.db2.gz KOQDSIINHXDHCA-UHFFFAOYSA-N 2 0 270.340 1.715 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001482065142 902583278 /nfs/dbraw/zinc/58/32/78/902583278.db2.gz LFMFASLCPXYAJR-OLZOCXBDSA-N 2 0 253.390 1.093 20 30 CDEDRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])NCC2CCC2)C1 ZINC000262022965 904830221 /nfs/dbraw/zinc/83/02/21/904830221.db2.gz YMBTZHMMHICCMC-LBPRGKRZSA-N 2 0 252.406 1.423 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1CC ZINC001087684122 905760416 /nfs/dbraw/zinc/76/04/16/905760416.db2.gz HKUXUOXLFTZTTO-LSDHHAIUSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001088334618 906946561 /nfs/dbraw/zinc/94/65/61/906946561.db2.gz MHMUBMYOWZKIEZ-LSDHHAIUSA-N 2 0 279.428 1.321 20 30 CDEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCN1CC[NH+](C)CC1 ZINC001172291387 911590713 /nfs/dbraw/zinc/59/07/13/911590713.db2.gz JHKJMQWZUVEKFS-HNNXBMFYSA-N 2 0 286.423 1.326 20 30 CDEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105941969 911761288 /nfs/dbraw/zinc/76/12/88/911761288.db2.gz SLMGFQLERHPAOC-OAGGEKHMSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC001120456128 911951446 /nfs/dbraw/zinc/95/14/46/911951446.db2.gz PJYRPGVLWHJTHX-AGIUHOORSA-N 2 0 253.390 1.304 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)CCc1ncc[nH]1 ZINC001178345733 915353944 /nfs/dbraw/zinc/35/39/44/915353944.db2.gz JSTJWRHFJGDXBL-UHFFFAOYSA-N 2 0 290.411 1.632 20 30 CDEDRP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001089732243 915575682 /nfs/dbraw/zinc/57/56/82/915575682.db2.gz QATLDHLBGIRNLP-CABCVRRESA-N 2 0 291.439 1.178 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001179336770 915820291 /nfs/dbraw/zinc/82/02/91/915820291.db2.gz ARDZWPZEYULWJJ-KKUMJFAQSA-N 2 0 277.412 1.073 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001180208072 916196938 /nfs/dbraw/zinc/19/69/38/916196938.db2.gz OLJURWAMFGNACY-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2ccnc2)[C@H]1C ZINC001180280151 916251613 /nfs/dbraw/zinc/25/16/13/916251613.db2.gz VCFHKGFNDREELS-ILXRZTDVSA-N 2 0 290.411 1.817 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001182607697 918009070 /nfs/dbraw/zinc/00/90/70/918009070.db2.gz JVYCMVIPGXEJJW-HLLBOEOZSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N(CC[NH3+])c1ccc(F)cc1 ZINC001183092224 918280217 /nfs/dbraw/zinc/28/02/17/918280217.db2.gz VMEWBRSDFIBXFA-UHFFFAOYSA-N 2 0 291.370 1.769 20 30 CDEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183410666 918483330 /nfs/dbraw/zinc/48/33/30/918483330.db2.gz PGRFIOBPYJDXJA-HLLBOEOZSA-N 2 0 293.455 1.588 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999033477 919653104 /nfs/dbraw/zinc/65/31/04/919653104.db2.gz LUKFZMDTYXMKAD-UYSNPLJNSA-N 2 0 291.439 1.319 20 30 CDEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192679181 923188364 /nfs/dbraw/zinc/18/83/64/923188364.db2.gz BRSQRKNFDFKLTN-INIZCTEOSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001490958334 936835311 /nfs/dbraw/zinc/83/53/11/936835311.db2.gz VNXCLAVKDQVBOK-HDJSIYSDSA-N 2 0 299.846 1.852 20 30 CDEDRP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001079843648 924434425 /nfs/dbraw/zinc/43/44/25/924434425.db2.gz CLYCLXYPFGKPQO-BZUAXINKSA-N 2 0 291.439 1.034 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001082544775 924957144 /nfs/dbraw/zinc/95/71/44/924957144.db2.gz QMPQWOGDZXJBFZ-OAGGEKHMSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001082570393 924959285 /nfs/dbraw/zinc/95/92/85/924959285.db2.gz KHDAEJGHHRAULZ-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCC[NH+]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001197158546 925077788 /nfs/dbraw/zinc/07/77/88/925077788.db2.gz RQKSWGVIVIITPW-MRXNPFEDSA-N 2 0 293.455 1.829 20 30 CDEDRP C=CCOCC[NH+]1CCCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001197921939 925268966 /nfs/dbraw/zinc/26/89/66/925268966.db2.gz AWCXMCBJJMLRPU-UHFFFAOYSA-N 2 0 297.443 1.065 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001085149378 925689230 /nfs/dbraw/zinc/68/92/30/925689230.db2.gz PLVVUYNTKOXTRF-MCIONIFRSA-N 2 0 299.846 1.850 20 30 CDEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048849 937039541 /nfs/dbraw/zinc/03/95/41/937039541.db2.gz RALJLNRNNALGDR-FVQBIDKESA-N 2 0 291.439 1.034 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102430433 937057752 /nfs/dbraw/zinc/05/77/52/937057752.db2.gz QAXMISBWXDRDJJ-GDBMZVCRSA-N 2 0 293.455 1.588 20 30 CDEDRP C#CCC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370008 937054282 /nfs/dbraw/zinc/05/42/82/937054282.db2.gz NVQBXJGBBUZGGJ-BZUAXINKSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001201065902 926188628 /nfs/dbraw/zinc/18/86/28/926188628.db2.gz BOKARGJCSUBGSP-UHFFFAOYSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085605799 926201484 /nfs/dbraw/zinc/20/14/84/926201484.db2.gz UANIQIHRISEFBR-OWCLPIDISA-N 2 0 293.455 1.826 20 30 CDEDRP C=CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001085687603 926284769 /nfs/dbraw/zinc/28/47/69/926284769.db2.gz RJKYWXARZJFJRZ-CVEARBPZSA-N 2 0 293.455 1.826 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001201440810 926307968 /nfs/dbraw/zinc/30/79/68/926307968.db2.gz KZWXVGOKCUTTFN-UHFFFAOYSA-N 2 0 289.423 1.219 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCCO1 ZINC001202166546 926485102 /nfs/dbraw/zinc/48/51/02/926485102.db2.gz WFGLIEYERPISSF-HNNXBMFYSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001085987507 926570614 /nfs/dbraw/zinc/57/06/14/926570614.db2.gz DYGNPUKMRYXNIT-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001086085501 926675679 /nfs/dbraw/zinc/67/56/79/926675679.db2.gz HTRLLJNLIPMSHJ-WCVJEAGWSA-N 2 0 291.439 1.531 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001086399753 927079327 /nfs/dbraw/zinc/07/93/27/927079327.db2.gz KXKNBDCLJMAUDQ-FPCVCCKLSA-N 2 0 291.439 1.674 20 30 CDEDRP Cc1nc(CC[NH3+])nn1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001168989459 927629536 /nfs/dbraw/zinc/62/95/36/927629536.db2.gz OMXJSIVQTOVREX-VCHYOVAHSA-N 2 0 297.366 1.170 20 30 CDEDRP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109724328 929017734 /nfs/dbraw/zinc/01/77/34/929017734.db2.gz NCUXSJMSOSGZMJ-ILXRZTDVSA-N 2 0 291.439 1.319 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001170784229 930006034 /nfs/dbraw/zinc/00/60/34/930006034.db2.gz HAXJJNZODCIBGX-MRXNPFEDSA-N 2 0 293.455 1.760 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135476988 930226709 /nfs/dbraw/zinc/22/67/09/930226709.db2.gz PHFKWIWJEWVLLF-GJZGRUSLSA-N 2 0 293.455 1.615 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001086744501 930284070 /nfs/dbraw/zinc/28/40/70/930284070.db2.gz WWWWANBNMYRFLP-LSDHHAIUSA-N 2 0 291.439 1.675 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135923332 930541445 /nfs/dbraw/zinc/54/14/45/930541445.db2.gz JQGVEBOOMLAJEK-KBPBESRZSA-N 2 0 285.432 1.014 20 30 CDEDRP C=CCC[C@H](O)C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245983204 930848647 /nfs/dbraw/zinc/84/86/47/930848647.db2.gz ULBXLBHSSGXEDA-KGLIPLIRSA-N 2 0 252.402 1.825 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153823959 937474187 /nfs/dbraw/zinc/47/41/87/937474187.db2.gz FXDWWLIBISDWFA-OCCSQVGLSA-N 2 0 267.417 1.339 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171174504 931798362 /nfs/dbraw/zinc/79/83/62/931798362.db2.gz NEEKUPPGPUOBKX-CABCVRRESA-N 2 0 279.428 1.226 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171254343 932142756 /nfs/dbraw/zinc/14/27/56/932142756.db2.gz RDBNXVBSOWESLU-UKRRQHHQSA-N 2 0 279.428 1.224 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226067 937651286 /nfs/dbraw/zinc/65/12/86/937651286.db2.gz GKWWVECCTSFNHT-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC001120492511 937803274 /nfs/dbraw/zinc/80/32/74/937803274.db2.gz MQZGIEQGCMKMPL-HNNXBMFYSA-N 2 0 280.799 1.398 20 30 CDEDRP C[N@H+](CCNC(=[NH2+])N1CCCCC1)C1CCCC1 ZINC000304756997 935087312 /nfs/dbraw/zinc/08/73/12/935087312.db2.gz OIRYIAWFMXDBQS-UHFFFAOYSA-N 2 0 252.406 1.661 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CC ZINC001037854553 935302216 /nfs/dbraw/zinc/30/22/16/935302216.db2.gz QQMAZJSXXTWKQW-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001121916486 937890025 /nfs/dbraw/zinc/89/00/25/937890025.db2.gz AHCQRRZQCXKFRY-KBPBESRZSA-N 2 0 265.401 1.367 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC001121922532 937890542 /nfs/dbraw/zinc/89/05/42/937890542.db2.gz LEQXOBBZVLUXOD-HUUCEWRRSA-N 2 0 281.444 1.860 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001121922533 937890652 /nfs/dbraw/zinc/89/06/52/937890652.db2.gz LEQXOBBZVLUXOD-LSDHHAIUSA-N 2 0 281.444 1.860 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC001121938088 937892670 /nfs/dbraw/zinc/89/26/70/937892670.db2.gz RLEGJMIHTJABFB-AVGNSLFASA-N 2 0 253.390 1.256 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001122021001 937899805 /nfs/dbraw/zinc/89/98/05/937899805.db2.gz KEMJTWAYFUIDPG-IHRRRGAJSA-N 2 0 287.423 1.881 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC001122049623 937901910 /nfs/dbraw/zinc/90/19/10/937901910.db2.gz KNQCNQOLFDEWCF-ZDUSSCGKSA-N 2 0 253.390 1.223 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001158336126 938610492 /nfs/dbraw/zinc/61/04/92/938610492.db2.gz JBGDALQQCILGPD-JZXOWHBKSA-N 2 0 297.402 1.392 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001159846744 938756965 /nfs/dbraw/zinc/75/69/65/938756965.db2.gz SWDWNYUDCJXSMT-AWEZNQCLSA-N 2 0 267.417 1.246 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160274217 938778792 /nfs/dbraw/zinc/77/87/92/938778792.db2.gz RCATYQALRVHTCT-AWEZNQCLSA-N 2 0 267.417 1.533 20 30 CDEDRP C[NH+](C)CCC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001165794428 939577983 /nfs/dbraw/zinc/57/79/83/939577983.db2.gz VSKSCLZLPLFUCM-UHFFFAOYSA-N 2 0 288.395 1.106 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001165980251 939589122 /nfs/dbraw/zinc/58/91/22/939589122.db2.gz AUTFCSSXGMVTSD-UHFFFAOYSA-N 2 0 291.439 1.677 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001166627066 939620665 /nfs/dbraw/zinc/62/06/65/939620665.db2.gz PAPZTTMCEBMSKJ-CYBMUJFWSA-N 2 0 253.390 1.143 20 30 CDEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203519651 939691043 /nfs/dbraw/zinc/69/10/43/939691043.db2.gz BERQQRXKLQEDMU-GJZGRUSLSA-N 2 0 291.439 1.369 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001206875137 940105915 /nfs/dbraw/zinc/10/59/15/940105915.db2.gz XJWRAUSQFWJIIO-UHFFFAOYSA-N 2 0 291.439 1.487 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001206948158 940116773 /nfs/dbraw/zinc/11/67/73/940116773.db2.gz XPOGVBFHWIQKHF-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP N#Cc1ccnc(N2CC[NH+](CC3CC[NH2+]CC3)CC2)c1 ZINC001207439001 940196775 /nfs/dbraw/zinc/19/67/75/940196775.db2.gz HHFXXQBURGWQBC-UHFFFAOYSA-N 2 0 285.395 1.075 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001208331687 940320448 /nfs/dbraw/zinc/32/04/48/940320448.db2.gz VSYWDXQSXVGVLN-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001209588822 940613746 /nfs/dbraw/zinc/61/37/46/940613746.db2.gz KARKEZISDBRMLO-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210227690 940673372 /nfs/dbraw/zinc/67/33/72/940673372.db2.gz DEFMKIGOJBCDQG-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001210282417 940678423 /nfs/dbraw/zinc/67/84/23/940678423.db2.gz GEOWUZYGLKYMTH-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211268899 940744367 /nfs/dbraw/zinc/74/43/67/940744367.db2.gz LPBFAKKSJMPDAA-AWEZNQCLSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214336030 940816967 /nfs/dbraw/zinc/81/69/67/940816967.db2.gz RGOZWVFJLJGVFK-MCIONIFRSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214855724 940841373 /nfs/dbraw/zinc/84/13/73/940841373.db2.gz MAAYUNCDIYLZIT-FVQBIDKESA-N 2 0 293.455 1.729 20 30 CDEDRP C#CC[C@]1(C(=O)Nc2ccc3c(c2)CC[NH2+]CC3)CCC[NH2+]1 ZINC001218937706 941290832 /nfs/dbraw/zinc/29/08/32/941290832.db2.gz FUCLRZZPQVRVKE-GOSISDBHSA-N 2 0 297.402 1.459 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)CCCn2ccnc2)C1 ZINC001222082701 941560485 /nfs/dbraw/zinc/56/04/85/941560485.db2.gz XEYCCSYPFDYUKW-AWEZNQCLSA-N 2 0 276.384 1.430 20 30 CDEDRP Cc1cc(C#N)ccc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222100227 941566190 /nfs/dbraw/zinc/56/61/90/941566190.db2.gz YZJOEDNPTLCOEV-UHFFFAOYSA-N 2 0 284.407 1.394 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001225557627 941879383 /nfs/dbraw/zinc/87/93/83/941879383.db2.gz PUPZDGUFRBPSDB-UHFFFAOYSA-N 2 0 291.439 1.324 20 30 CDEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235411896 944147572 /nfs/dbraw/zinc/14/75/72/944147572.db2.gz YLGJMKFWRZRBHA-HNNXBMFYSA-N 2 0 277.412 1.027 20 30 CDEDRP N#CCCCC[N@@H+]1CC[C@H]2CN(CCn3ccnc3)C[C@H]21 ZINC001277951698 944188967 /nfs/dbraw/zinc/18/89/67/944188967.db2.gz NFMFODROPYPKSN-JKSUJKDBSA-N 2 0 287.411 1.583 20 30 CDEDRP C=CCOC(=O)N[C@@H]1CCC[N@@H+](CCCC[NH3+])C1 ZINC001237250798 944709862 /nfs/dbraw/zinc/70/98/62/944709862.db2.gz YBPJOAKWSLWFPU-GFCCVEGCSA-N 2 0 255.362 1.102 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC001261456232 946124887 /nfs/dbraw/zinc/12/48/87/946124887.db2.gz QVYTZFHULGXKSN-CYBMUJFWSA-N 2 0 258.325 1.249 20 30 CDEDRP CC[NH+](CC)CCN(CC[NH3+])[C@@H]1CC[C@@H](C#N)C1 ZINC001254644537 947568548 /nfs/dbraw/zinc/56/85/48/947568548.db2.gz YWORUGBOXBBLIR-ZIAGYGMSSA-N 2 0 252.406 1.281 20 30 CDEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246525148 948225078 /nfs/dbraw/zinc/22/50/78/948225078.db2.gz MNIROHLIEGRXNY-MLGOLLRUSA-N 3 0 274.412 1.794 20 30 CDEDRP C#CCOC[C@H](O)C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001251848247 950867877 /nfs/dbraw/zinc/86/78/77/950867877.db2.gz XBBPBUWLQPRJBN-IAGOWNOFSA-N 2 0 294.439 1.338 20 30 CDEDRP C=C[C@@H](O)C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001253607087 951993212 /nfs/dbraw/zinc/99/32/12/951993212.db2.gz ROUZVJVMTHWQAA-OAHLLOKOSA-N 2 0 252.402 1.778 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001322680557 960295665 /nfs/dbraw/zinc/29/56/65/960295665.db2.gz KXFQCLHYJNCTAF-HOTGVXAUSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCN1CC[C@@H]([N@@H+]2CCCC3(CC[NH2+]CC3)C2)C1=O ZINC001346017773 964891299 /nfs/dbraw/zinc/89/12/99/964891299.db2.gz PIMNSJNVFJBZAU-CQSZACIVSA-N 2 0 277.412 1.239 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001376297675 974625410 /nfs/dbraw/zinc/62/54/10/974625410.db2.gz GPBZUEBVPCUSCB-ZDUSSCGKSA-N 2 0 299.846 1.565 20 30 CDEDRP C=CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132153100 1163183669 /nfs/dbraw/zinc/18/36/69/1163183669.db2.gz NHZBISLDSQSUTO-KBPBESRZSA-N 2 0 281.444 1.872 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001133225990 1163608735 /nfs/dbraw/zinc/60/87/35/1163608735.db2.gz MBGZLFABNXBVJX-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001133245905 1163614001 /nfs/dbraw/zinc/61/40/01/1163614001.db2.gz MKYVJHOUQNTDAD-LSDHHAIUSA-N 2 0 291.439 1.342 20 30 CDEDRP CC[C@H](C#N)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000593444703 342798056 /nfs/dbraw/zinc/79/80/56/342798056.db2.gz YCGJWTZBAGCVNM-CABCVRRESA-N 2 0 294.443 1.411 20 30 CDEDRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594440248 342907095 /nfs/dbraw/zinc/90/70/95/342907095.db2.gz AXEQVHNMGZJZNA-ZIAGYGMSSA-N 2 0 280.416 1.246 20 30 CDEDRP CC(C)[NH2+]C1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598596352 343841069 /nfs/dbraw/zinc/84/10/69/343841069.db2.gz OMQSWXZBPBZDQJ-AWEZNQCLSA-N 2 0 267.417 1.750 20 30 CDEDRP C[C@@H](CCC#N)C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000602546671 344462701 /nfs/dbraw/zinc/46/27/01/344462701.db2.gz WLYAEMYLTPQCHA-HNNXBMFYSA-N 2 0 280.460 1.789 20 30 CDEDRP CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365407086 344976442 /nfs/dbraw/zinc/97/64/42/344976442.db2.gz YWBDIMRUGSBIMX-AWEZNQCLSA-N 2 0 280.416 1.165 20 30 CDEDRP CC(C)(C)[NH+]1CCC([NH2+]C2CCN(CC#N)CC2)CC1 ZINC000610813473 346444712 /nfs/dbraw/zinc/44/47/12/346444712.db2.gz IILWDMIBPNJMMP-UHFFFAOYSA-N 2 0 278.444 1.827 20 30 CDEDRP CCc1nc2ccccc2n1C[C@H](O)CN(C)CCC#N ZINC000414109692 362921272 /nfs/dbraw/zinc/92/12/72/362921272.db2.gz VDKRDBWQZKWNHI-CYBMUJFWSA-N 2 0 286.379 1.805 20 30 CDEDRP COCCNC(=[NH2+])NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000069672622 349106284 /nfs/dbraw/zinc/10/62/84/349106284.db2.gz KPBQPXVCIQVEBU-ZDUSSCGKSA-N 2 0 292.427 1.667 20 30 CDEDRP C=CCNC(=[NH2+])NCc1ccc(OCC[NH+](C)C)cc1 ZINC000264081728 362960540 /nfs/dbraw/zinc/96/05/40/362960540.db2.gz ITFALFWZPUJYOT-UHFFFAOYSA-N 2 0 276.384 1.217 20 30 CDEDRP CCN(CC)C(=[NH2+])NC[C@H](c1cccc(OC)c1)N(C)C ZINC000264128624 362974563 /nfs/dbraw/zinc/97/45/63/362974563.db2.gz SULXVGQUVFIRGO-OAHLLOKOSA-N 2 0 292.427 1.954 20 30 CDEDRP CCNC(=[NH2+])NCc1ccc(OCC[NH+](C)C)cc1 ZINC000264137496 362976683 /nfs/dbraw/zinc/97/66/83/362976683.db2.gz VOZFPMCBSQRHMO-UHFFFAOYSA-N 2 0 264.373 1.051 20 30 CDEDRP C#CC[N@H+](C)CCCNc1ncnc(N)c1Cl ZINC000292746950 198397679 /nfs/dbraw/zinc/39/76/79/198397679.db2.gz JFRWOFPGDIGEBL-UHFFFAOYSA-N 2 0 253.737 1.079 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]([NH3+])CCC)C(C)C ZINC000272296357 191640075 /nfs/dbraw/zinc/64/00/75/191640075.db2.gz GGDGFPBQHGUAAH-HUUCEWRRSA-N 2 0 281.444 1.929 20 30 CDEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)CN1CC[NH+](C)CC1 ZINC000176962941 366420751 /nfs/dbraw/zinc/42/07/51/366420751.db2.gz SKIYJWOLUCHVRC-ZDUSSCGKSA-N 2 0 292.452 1.593 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)C(C)C ZINC000165196149 363626148 /nfs/dbraw/zinc/62/61/48/363626148.db2.gz XIFYKZXVABRZTG-JKSUJKDBSA-N 2 0 293.455 1.801 20 30 CDEDRP C=CCN1CC[C@@H](N(C)C2CC[NH+](C(C)C)CC2)C1=O ZINC000337143620 360005779 /nfs/dbraw/zinc/00/57/79/360005779.db2.gz VRTMZSLKZJJPHV-OAHLLOKOSA-N 2 0 279.428 1.578 20 30 CDEDRP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436051950 361470238 /nfs/dbraw/zinc/47/02/38/361470238.db2.gz LFXZOHAPYWBKTM-CYBMUJFWSA-N 2 0 253.390 1.272 20 30 CDEDRP N#CC1(C[C@@H](O)CN(CC[NH3+])Cc2ccccc2)CCC1 ZINC001580038638 1172330901 /nfs/dbraw/zinc/33/09/01/1172330901.db2.gz PMGAUEAKLHOCOJ-MRXNPFEDSA-N 2 0 287.407 1.892 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC[C@H]1CCC[N@@H+]1C ZINC000171411722 365275817 /nfs/dbraw/zinc/27/58/17/365275817.db2.gz DKXRJUQMVFRNAA-LLVKDONJSA-N 2 0 250.346 1.039 20 30 CDEDRP CC1CCN(C(=[NH2+])NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000122479372 370818053 /nfs/dbraw/zinc/81/80/53/370818053.db2.gz BGWDSZBCQMSGAL-CQSZACIVSA-N 2 0 266.433 1.765 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000567030631 370861958 /nfs/dbraw/zinc/86/19/58/370861958.db2.gz LSIAEANBXKZGQI-UHFFFAOYSA-N 2 0 292.427 1.246 20 30 CDEDRP C=CCC[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000276439074 193332037 /nfs/dbraw/zinc/33/20/37/193332037.db2.gz OLOHCPMIIWOVHC-INIZCTEOSA-N 2 0 289.423 1.913 20 30 CDEDRP Cc1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)ccc1C#N ZINC000331307200 374928889 /nfs/dbraw/zinc/92/88/89/374928889.db2.gz XIPIKWUEXDAVAI-UHFFFAOYSA-N 2 0 273.380 1.413 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](C)[C@@H](C)[NH3+])C(C)C ZINC000192097240 378184629 /nfs/dbraw/zinc/18/46/29/378184629.db2.gz WHGGREOOTNEVHQ-RRFJBIMHSA-N 2 0 281.444 1.785 20 30 CDEDRP C#Cc1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000289324465 197297777 /nfs/dbraw/zinc/29/77/77/197297777.db2.gz UERHMKPQUSZKIN-UHFFFAOYSA-N 2 0 285.435 1.784 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCC[C@H](C)[NH+](C)C)CC1 ZINC000664019928 413024903 /nfs/dbraw/zinc/02/49/03/413024903.db2.gz OHMWPPAYRFLQSI-ZDUSSCGKSA-N 2 0 282.432 1.276 20 30 CDEDRP C=CC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000363676092 390458738 /nfs/dbraw/zinc/45/87/38/390458738.db2.gz ZUIFKSDMXIZCQD-ZIAGYGMSSA-N 2 0 252.402 1.994 20 30 CDEDRP C#CCN(C)CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1n1cncn1 ZINC000295128620 391054777 /nfs/dbraw/zinc/05/47/77/391054777.db2.gz ZQIUFQLGOOVUCY-XHSDSOJGSA-N 2 0 289.427 1.553 20 30 CDEDRP C#CCN(C)CCC[NH2+][C@@H]1CC[C@H](C)C[C@H]1n1cncn1 ZINC000295128609 391055221 /nfs/dbraw/zinc/05/52/21/391055221.db2.gz ZQIUFQLGOOVUCY-ARFHVFGLSA-N 2 0 289.427 1.553 20 30 CDEDRP C[NH+]1CCC(C)(C[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000566973854 391447160 /nfs/dbraw/zinc/44/71/60/391447160.db2.gz JEHXKMDZBHBTCG-UHFFFAOYSA-N 2 0 298.394 1.422 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCc2ccc(OCC[NH+](C)C)cc2)N1 ZINC000262476876 262774180 /nfs/dbraw/zinc/77/41/80/262774180.db2.gz CFKRPVUVPNVOHR-GFCCVEGCSA-N 2 0 276.384 1.064 20 30 CDEDRP C[C@H]1C[NH+]=C(NC[C@H](c2ccccc2)[NH+]2CCCC2)N1 ZINC000262683657 262783204 /nfs/dbraw/zinc/78/32/04/262783204.db2.gz XKJRFDICIKEKOR-DZGCQCFKSA-N 2 0 272.396 1.761 20 30 CDEDRP C[C@H]1C[NH+]=C(NCc2ccc(OCCC[NH+](C)C)cc2)N1 ZINC000285062072 263089915 /nfs/dbraw/zinc/08/99/15/263089915.db2.gz LWSBCWMGUVFIGQ-ZDUSSCGKSA-N 2 0 290.411 1.454 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000564006202 316412341 /nfs/dbraw/zinc/41/23/41/316412341.db2.gz JYDQSPVSMBNFEY-UHFFFAOYSA-N 2 0 274.412 1.483 20 30 CDEDRP C[NH+]=C(NCCc1ccco1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000154252610 327380118 /nfs/dbraw/zinc/38/01/18/327380118.db2.gz LLWRTZGPTKZTNC-AWEZNQCLSA-N 2 0 288.395 1.344 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000132755087 329648742 /nfs/dbraw/zinc/64/87/42/329648742.db2.gz CROILJLQZDXQQR-MRXNPFEDSA-N 2 0 296.455 1.890 20 30 CDEDRP C[NH+]=C(NCC[N@H+](C)C1CCCC1)N1CCCC1 ZINC000262391074 330012500 /nfs/dbraw/zinc/01/25/00/330012500.db2.gz OHAVTZQSZVYPKI-UHFFFAOYSA-N 2 0 252.406 1.532 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cnc(C)cc1C ZINC000263050482 330040842 /nfs/dbraw/zinc/04/08/42/330040842.db2.gz DKMDSIXDODAIRT-HNNXBMFYSA-N 2 0 289.427 1.587 20 30 CDEDRP C[N@@H+]1CCC[C@H](CCNC(=[NH2+])NCC2CCC2)C1 ZINC000263146340 330045863 /nfs/dbraw/zinc/04/58/63/330045863.db2.gz OWUFKMSIWGCXFI-CYBMUJFWSA-N 2 0 252.406 1.423 20 30 CDEDRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424142987 330286754 /nfs/dbraw/zinc/28/67/54/330286754.db2.gz JFTPRDQOJSAFAS-KBPBESRZSA-N 2 0 280.416 1.198 20 30 CDEDRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424191270 330323497 /nfs/dbraw/zinc/32/34/97/330323497.db2.gz HCEDZXGDKHBGCJ-UONOGXRCSA-N 2 0 292.427 1.244 20 30 CDEDRP C=CCOCC[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000451981259 331049320 /nfs/dbraw/zinc/04/93/20/331049320.db2.gz IQASRFMPSUXQAC-UHFFFAOYSA-N 2 0 269.433 1.195 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000669464957 483173183 /nfs/dbraw/zinc/17/31/83/483173183.db2.gz QVGWEUUAPWTSAN-AWEZNQCLSA-N 2 0 294.443 1.468 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086387180 1161976077 /nfs/dbraw/zinc/97/60/77/1161976077.db2.gz UQNIMURBIMZLDW-JYJNAYRXSA-N 2 0 293.455 1.635 20 30 CDEDRP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108756766 1162022603 /nfs/dbraw/zinc/02/26/03/1162022603.db2.gz VBPMJRUMSAAAGL-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000981229267 612972427 /nfs/dbraw/zinc/97/24/27/612972427.db2.gz VASDACMJKQWPCT-LSDHHAIUSA-N 2 0 296.374 1.598 20 30 CDEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000969701892 613249318 /nfs/dbraw/zinc/24/93/18/613249318.db2.gz ZDLYKXNCQSIAHI-SQWLQELKSA-N 2 0 293.455 1.729 20 30 CDEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)Cn2cncc2C)CC1 ZINC000981624738 613253131 /nfs/dbraw/zinc/25/31/31/613253131.db2.gz GFVCDAGNQNCMHF-UHFFFAOYSA-N 2 0 290.411 1.692 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000948776217 613257594 /nfs/dbraw/zinc/25/75/94/613257594.db2.gz DVODUTFLSDKTOC-UHFFFAOYSA-N 2 0 279.428 1.581 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980485671 613613848 /nfs/dbraw/zinc/61/38/48/613613848.db2.gz KTYONHTWTRANBZ-HZPDHXFCSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1C[NH+](C)C ZINC000962759548 613842828 /nfs/dbraw/zinc/84/28/28/613842828.db2.gz BZIISVFXKOGPRR-FVQHAEBGSA-N 2 0 299.418 1.594 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000891520682 617458533 /nfs/dbraw/zinc/45/85/33/617458533.db2.gz PEPJTZBMSPJALI-CHWSQXEVSA-N 2 0 280.416 1.158 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCCC[NH+]1CCCCCC1 ZINC000104155556 617626502 /nfs/dbraw/zinc/62/65/02/617626502.db2.gz FUGYKOFEEQPEPU-ZDUSSCGKSA-N 2 0 270.421 1.192 20 30 CDEDRP CCNC(NCC1(SC)CC[NH+](C)CC1)=[NH+]CC ZINC000849029188 617724099 /nfs/dbraw/zinc/72/40/99/617724099.db2.gz BOEANSZTZMFHPG-UHFFFAOYSA-N 2 0 272.462 1.389 20 30 CDEDRP C[C@H](CC(C)(C)C#N)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000924967047 618482723 /nfs/dbraw/zinc/48/27/23/618482723.db2.gz WAJITRRFYWPBDK-KGLIPLIRSA-N 2 0 294.443 1.492 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000911685950 629415997 /nfs/dbraw/zinc/41/59/97/629415997.db2.gz WRUOKBKKEOGAOB-AVGNSLFASA-N 2 0 253.390 1.398 20 30 CDEDRP C=C(C)CNC(NC[C@H]1CCC[N@H+]1C)=[NH+]C(C)(C)C ZINC000912499266 630042381 /nfs/dbraw/zinc/04/23/81/630042381.db2.gz OMHFJNOQVLHBCL-CYBMUJFWSA-N 2 0 266.433 1.990 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000854735774 682590914 /nfs/dbraw/zinc/59/09/14/682590914.db2.gz WSCSJMRJYVEPPR-OAHLLOKOSA-N 2 0 265.401 1.049 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001038454567 679717744 /nfs/dbraw/zinc/71/77/44/679717744.db2.gz NDBFUYGQWYHEHB-HNNXBMFYSA-N 2 0 291.439 1.772 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052933766 679725981 /nfs/dbraw/zinc/72/59/81/679725981.db2.gz FGFYUNAKUOWXFA-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027883900 679731448 /nfs/dbraw/zinc/73/14/48/679731448.db2.gz DSYXBRFEGDREOP-HOTGVXAUSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000876751727 679762189 /nfs/dbraw/zinc/76/21/89/679762189.db2.gz WMTSPJKHPOYGIM-VXGBXAGGSA-N 2 0 273.808 1.447 20 30 CDEDRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000923419455 679752299 /nfs/dbraw/zinc/75/22/99/679752299.db2.gz AEASUOHWPSUSMP-NWANDNLSSA-N 2 0 289.379 1.013 20 30 CDEDRP CC1CC[NH+](CCNC(=[NH2+])NCC2CCC2)CC1 ZINC000303911114 679778567 /nfs/dbraw/zinc/77/85/67/679778567.db2.gz ZGIWIQFTYZCMNB-UHFFFAOYSA-N 2 0 252.406 1.423 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023470499 679783435 /nfs/dbraw/zinc/78/34/35/679783435.db2.gz XYCAGKUCHHTGOU-AWEZNQCLSA-N 2 0 296.374 1.409 20 30 CDEDRP CC(C)[C@@H](CNC(=[NH2+])N1CCOCC1)[NH+]1CCC(C)CC1 ZINC000303886959 679790771 /nfs/dbraw/zinc/79/07/71/679790771.db2.gz KOYMPCROPRJRES-OAHLLOKOSA-N 2 0 296.459 1.390 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001020904831 679815237 /nfs/dbraw/zinc/81/52/37/679815237.db2.gz KPUPHVNVGVYAHM-WKILWMFISA-N 2 0 291.439 1.531 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001050204019 679822980 /nfs/dbraw/zinc/82/29/80/679822980.db2.gz OWLOYWTWPCGKTP-JKSUJKDBSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](CC)C2)CC1 ZINC000855489601 679842951 /nfs/dbraw/zinc/84/29/51/679842951.db2.gz AXGYOSITOLLUIZ-MRXNPFEDSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001022202378 679845507 /nfs/dbraw/zinc/84/55/07/679845507.db2.gz YBDNHUHPDSTBQE-LZWOXQAQSA-N 2 0 291.439 1.816 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034037392 679848476 /nfs/dbraw/zinc/84/84/76/679848476.db2.gz CODSUDZAQLLIGM-GJZGRUSLSA-N 2 0 279.428 1.437 20 30 CDEDRP CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000068041923 679851092 /nfs/dbraw/zinc/85/10/92/679851092.db2.gz PUIXFIKGAICLAV-CYBMUJFWSA-N 2 0 252.406 1.565 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000837188973 679859375 /nfs/dbraw/zinc/85/93/75/679859375.db2.gz GMWCKZHAUVDWDY-ZDUSSCGKSA-N 2 0 253.390 1.045 20 30 CDEDRP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000303262710 681229915 /nfs/dbraw/zinc/22/99/15/681229915.db2.gz QAYSKRCSGXTUKQ-STQMWFEESA-N 2 0 254.422 1.810 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC)C2)CC1 ZINC001035724828 681562484 /nfs/dbraw/zinc/56/24/84/681562484.db2.gz VFUTWLHQCVXQIB-HNNXBMFYSA-N 2 0 289.423 1.028 20 30 CDEDRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000305038102 681615417 /nfs/dbraw/zinc/61/54/17/681615417.db2.gz UFFPBNSDSIQXFQ-UONOGXRCSA-N 2 0 282.432 1.048 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000883131336 681624353 /nfs/dbraw/zinc/62/43/53/681624353.db2.gz WQYHRBPBYCIWKQ-UHFFFAOYSA-N 3 0 297.406 1.620 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001020673001 681637021 /nfs/dbraw/zinc/63/70/21/681637021.db2.gz DPBKZZBITOROKB-KKUMJFAQSA-N 2 0 277.412 1.121 20 30 CDEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041828880 681766785 /nfs/dbraw/zinc/76/67/85/681766785.db2.gz JORXGVATYLVHQU-HOCLYGCPSA-N 2 0 277.412 1.049 20 30 CDEDRP C=CC[N@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001072991577 681779092 /nfs/dbraw/zinc/77/90/92/681779092.db2.gz XREDANGCDVDKJF-ZDUSSCGKSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001027583058 681797204 /nfs/dbraw/zinc/79/72/04/681797204.db2.gz RXVRRSBEBPVIME-KBPBESRZSA-N 2 0 267.417 1.435 20 30 CDEDRP CC(C)(CNC(=[NH2+])N1CCSCC1)[NH+]1CCCCC1 ZINC000104155087 681820945 /nfs/dbraw/zinc/82/09/45/681820945.db2.gz KXOJZMSRZRBEDC-UHFFFAOYSA-N 2 0 284.473 1.614 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001026044126 681856398 /nfs/dbraw/zinc/85/63/98/681856398.db2.gz KOHBRFUSEJIDIF-LEOABGAYSA-N 2 0 291.439 1.197 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000997188080 681965375 /nfs/dbraw/zinc/96/53/75/681965375.db2.gz YIBWVVUCAJZZFF-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C[NH+](C)C1(CNC(=[NH2+])N2CCCCCC2)CCOCC1 ZINC000305053635 681973903 /nfs/dbraw/zinc/97/39/03/681973903.db2.gz IHQYYBUGIAHLTA-UHFFFAOYSA-N 2 0 282.432 1.288 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001027971596 682006086 /nfs/dbraw/zinc/00/60/86/682006086.db2.gz HYTTVOFYQIXYMW-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007348008 682037643 /nfs/dbraw/zinc/03/76/43/682037643.db2.gz XSYJNIBTIYJACH-JKSUJKDBSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC)[C@H]2C)CC1 ZINC000994500948 682055174 /nfs/dbraw/zinc/05/51/74/682055174.db2.gz RVLPBQQPJZEQDG-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]cn2)[C@@H](C)C1 ZINC001044623177 682164305 /nfs/dbraw/zinc/16/43/05/682164305.db2.gz BMLUGKVVCRPWPY-STQMWFEESA-N 2 0 276.384 1.497 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001008278787 682208708 /nfs/dbraw/zinc/20/87/08/682208708.db2.gz QHKGRTJHBGERDN-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001000695901 682300498 /nfs/dbraw/zinc/30/04/98/682300498.db2.gz LDQBRGGVKDRUHX-JKSUJKDBSA-N 2 0 289.423 1.098 20 30 CDEDRP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033072065 682329021 /nfs/dbraw/zinc/32/90/21/682329021.db2.gz JLLVZTGRBAADNR-CABCVRRESA-N 2 0 279.428 1.578 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC000989829302 682364945 /nfs/dbraw/zinc/36/49/45/682364945.db2.gz RAUOYTDPMNZOJD-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCN1CC[C@@H]([N@H+](C)CC2CC[NH+](C)CC2)C1=O ZINC000799122068 682390095 /nfs/dbraw/zinc/39/00/95/682390095.db2.gz NGVGXGYDUTZKEH-CQSZACIVSA-N 2 0 265.401 1.047 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028539204 682474018 /nfs/dbraw/zinc/47/40/18/682474018.db2.gz QMBRCJDUMIYCQX-HOCLYGCPSA-N 2 0 291.439 1.342 20 30 CDEDRP C[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000104192973 682542463 /nfs/dbraw/zinc/54/24/63/682542463.db2.gz FUKFNDXPWIAESM-VXGBXAGGSA-N 2 0 252.406 1.516 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1cnc(CCOC)s1 ZINC000883131177 682639794 /nfs/dbraw/zinc/63/97/94/682639794.db2.gz LRJKEASILDOPHC-UHFFFAOYSA-N 2 0 281.425 1.377 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995981800 682643720 /nfs/dbraw/zinc/64/37/20/682643720.db2.gz NWGMQHJDEIZQJX-UONOGXRCSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCN1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015712658 682690293 /nfs/dbraw/zinc/69/02/93/682690293.db2.gz GGNIBKQAHPNKST-KRWDZBQOSA-N 2 0 299.418 1.228 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001054970036 682697407 /nfs/dbraw/zinc/69/74/07/682697407.db2.gz YWHYHRYBBMYSQE-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071996278 682700357 /nfs/dbraw/zinc/70/03/57/682700357.db2.gz QCRRNXGXVNUYRV-ZIAGYGMSSA-N 2 0 277.412 1.237 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033082868 682825917 /nfs/dbraw/zinc/82/59/17/682825917.db2.gz UWCJNPXVLIHTCP-CVEARBPZSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001072979935 682837198 /nfs/dbraw/zinc/83/71/98/682837198.db2.gz RJPDAIZJUCVMRH-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001031667082 682867301 /nfs/dbraw/zinc/86/73/01/682867301.db2.gz XJSSLADAPZSONW-HNNXBMFYSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076242538 683068546 /nfs/dbraw/zinc/06/85/46/683068546.db2.gz IVPGWYQYCBZFSR-OWCLPIDISA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001020723337 683076083 /nfs/dbraw/zinc/07/60/83/683076083.db2.gz WHHXOBYPTLMBAT-KBUPBQIOSA-N 2 0 277.412 1.426 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCCC[NH+]1CCCCCC1 ZINC000303791624 683090226 /nfs/dbraw/zinc/09/02/26/683090226.db2.gz XVHNERDLKGMTSC-UHFFFAOYSA-N 2 0 252.406 1.733 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001049370646 683116567 /nfs/dbraw/zinc/11/65/67/683116567.db2.gz XWRRKZNSIGYXLN-BZUAXINKSA-N 2 0 289.423 1.169 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001036306311 683123343 /nfs/dbraw/zinc/12/33/43/683123343.db2.gz WTCRWXDLBSTNJB-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(CCOC)CC1 ZINC000305187366 683140984 /nfs/dbraw/zinc/14/09/84/683140984.db2.gz XMSTXEZQLMZHTC-ZDUSSCGKSA-N 2 0 282.432 1.192 20 30 CDEDRP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001028759510 683203484 /nfs/dbraw/zinc/20/34/84/683203484.db2.gz VYHGCZHPSAWKBQ-HZPDHXFCSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072081586 683236952 /nfs/dbraw/zinc/23/69/52/683236952.db2.gz OBIIBUDYPFUORN-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052871856 683241760 /nfs/dbraw/zinc/24/17/60/683241760.db2.gz QOWSZJDXMYDCPQ-CQSZACIVSA-N 2 0 277.412 1.239 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996519862 683379245 /nfs/dbraw/zinc/37/92/45/683379245.db2.gz MGOGLCQKPNODCC-CYBMUJFWSA-N 2 0 277.412 1.095 20 30 CDEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000985328840 683451668 /nfs/dbraw/zinc/45/16/68/683451668.db2.gz YNSZJZFKXNUFRR-CQSZACIVSA-N 2 0 299.846 1.756 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001015859020 683582629 /nfs/dbraw/zinc/58/26/29/683582629.db2.gz ZTBNWMOYOMNZKV-KRWDZBQOSA-N 2 0 299.418 1.576 20 30 CDEDRP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@H]2C1 ZINC001048849383 683588110 /nfs/dbraw/zinc/58/81/10/683588110.db2.gz IXJRRSVWWRQDLH-OWCLPIDISA-N 2 0 291.439 1.437 20 30 CDEDRP C[NH+]1CCN(c2ccc(C=[NH+]N3CCC3)cc2)CC1 ZINC000872397675 683598164 /nfs/dbraw/zinc/59/81/64/683598164.db2.gz VIJHLODTYHGKAK-UHFFFAOYSA-N 2 0 258.369 1.478 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001018855228 683607668 /nfs/dbraw/zinc/60/76/68/683607668.db2.gz SQNRPBZNOFBFDF-LSDHHAIUSA-N 2 0 277.412 1.095 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)CCc3ncc[nH]3)C[C@H]2C1 ZINC001048792085 683639291 /nfs/dbraw/zinc/63/92/91/683639291.db2.gz IHSWVNASGQNZSJ-OKILXGFUSA-N 2 0 288.395 1.309 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001014508445 683772539 /nfs/dbraw/zinc/77/25/39/683772539.db2.gz NTNJSZVQOUKQKQ-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP C[C@@H](CNC(=[NH2+])Nc1ccccn1)C[NH+]1CCCCC1 ZINC000170908879 683883379 /nfs/dbraw/zinc/88/33/79/683883379.db2.gz KFJWFEMYAGEBHQ-ZDUSSCGKSA-N 2 0 275.400 1.930 20 30 CDEDRP CN(C)C(=[NH2+])NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000081525675 683888065 /nfs/dbraw/zinc/88/80/65/683888065.db2.gz QUFIENGABMZQCK-UHFFFAOYSA-N 2 0 282.432 1.145 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999407721 683964023 /nfs/dbraw/zinc/96/40/23/683964023.db2.gz PHVVTWKFGLPMFC-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001001535281 683987824 /nfs/dbraw/zinc/98/78/24/683987824.db2.gz UFSHQOZVRQKAMU-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000993930492 684008753 /nfs/dbraw/zinc/00/87/53/684008753.db2.gz QHWGHXQSWFYFPX-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[N@H+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001072812260 684022366 /nfs/dbraw/zinc/02/23/66/684022366.db2.gz YLGXFODCOFOOOY-UHFFFAOYSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001071920357 684066664 /nfs/dbraw/zinc/06/66/64/684066664.db2.gz PXPXCHQJTZCIRX-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C[C@@H]1CCCN(C(=[NH2+])NCCCC[NH+]2CCN(C)CC2)C1 ZINC000104169865 684075648 /nfs/dbraw/zinc/07/56/48/684075648.db2.gz DQQHPBUTNDJYNG-OAHLLOKOSA-N 2 0 295.475 1.061 20 30 CDEDRP C#CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001049642538 684104982 /nfs/dbraw/zinc/10/49/82/684104982.db2.gz XWRRKZNSIGYXLN-HRCADAONSA-N 2 0 289.423 1.169 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001074811722 684248059 /nfs/dbraw/zinc/24/80/59/684248059.db2.gz CNTQKAAIEYFLJN-IHRRRGAJSA-N 2 0 299.846 1.802 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130808631 1162722255 /nfs/dbraw/zinc/72/22/55/1162722255.db2.gz JKXIZKYEELSWJO-CQSZACIVSA-N 2 0 279.428 1.675 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001086659062 1162801750 /nfs/dbraw/zinc/80/17/50/1162801750.db2.gz IYPHTUCQWLVNCK-MJBXVCDLSA-N 2 0 299.846 1.708 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128779757 1161509005 /nfs/dbraw/zinc/50/90/05/1161509005.db2.gz XPPLBSXPJWCAEV-HUUCEWRRSA-N 2 0 281.444 1.921 20 30 CDEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001084964487 1161920064 /nfs/dbraw/zinc/92/00/64/1161920064.db2.gz BAURFNHYCYPTGG-PMPSAXMXSA-N 2 0 291.439 1.129 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001113345698 1162159541 /nfs/dbraw/zinc/15/95/41/1162159541.db2.gz CEXNZRHZTIGMJI-OAHLLOKOSA-N 2 0 279.428 1.581 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)CCC)CC1 ZINC001752121944 1184821824 /nfs/dbraw/zinc/82/18/24/1184821824.db2.gz OAVRDMKOAQUYQT-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP C=C(C)C[N@H+](CC)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001752188496 1184825733 /nfs/dbraw/zinc/82/57/33/1184825733.db2.gz BZJQDXJJSPJQHU-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccccc1 ZINC001752917143 1184964924 /nfs/dbraw/zinc/96/49/24/1184964924.db2.gz GNDMGWCUMLXTJT-NVXWUHKLSA-N 2 0 299.418 1.084 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001753447976 1185212819 /nfs/dbraw/zinc/21/28/19/1185212819.db2.gz KSBJUHVFVAOMTD-HNNXBMFYSA-N 2 0 279.428 1.274 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001753554614 1185253769 /nfs/dbraw/zinc/25/37/69/1185253769.db2.gz COQPBZVRQJVLSI-HNNXBMFYSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001753587980 1185259384 /nfs/dbraw/zinc/25/93/84/1185259384.db2.gz UYOKTPLCDVGPCZ-SHTZXODSSA-N 2 0 279.428 1.367 20 30 CDEDRP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001753712609 1185313201 /nfs/dbraw/zinc/31/32/01/1185313201.db2.gz OCPREOXOHVQFJC-AWEZNQCLSA-N 2 0 283.460 1.977 20 30 CDEDRP CC#CC[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001753717257 1185313989 /nfs/dbraw/zinc/31/39/89/1185313989.db2.gz LRMHBIJKQYJBAA-HNNXBMFYSA-N 2 0 293.455 1.567 20 30 CDEDRP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)C[NH+]1CCCC1 ZINC001753740156 1185324286 /nfs/dbraw/zinc/32/42/86/1185324286.db2.gz AGYYAWSRGDJGMP-AWEZNQCLSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001753810013 1185341696 /nfs/dbraw/zinc/34/16/96/1185341696.db2.gz UTUQTMAQAGZGEQ-LSDHHAIUSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](CC)[NH+](CC)CC ZINC001754325155 1185577347 /nfs/dbraw/zinc/57/73/47/1185577347.db2.gz JSKCSJPLGCUANR-KBPBESRZSA-N 2 0 267.417 1.177 20 30 CDEDRP CC#CC[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001754683120 1185703849 /nfs/dbraw/zinc/70/38/49/1185703849.db2.gz HRMIJYZEZDHJBB-MRXNPFEDSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001754992670 1185781664 /nfs/dbraw/zinc/78/16/64/1185781664.db2.gz MHJQCQXPDKQBFY-CYBMUJFWSA-N 2 0 265.401 1.143 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001755123575 1185824218 /nfs/dbraw/zinc/82/42/18/1185824218.db2.gz RAQIXSRTQKWVIC-UONOGXRCSA-N 2 0 267.417 1.341 20 30 CDEDRP C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001755267502 1185883836 /nfs/dbraw/zinc/88/38/36/1185883836.db2.gz BLOJJVRLXPVWEU-KGLIPLIRSA-N 2 0 269.433 1.776 20 30 CDEDRP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001755506682 1185975241 /nfs/dbraw/zinc/97/52/41/1185975241.db2.gz KBBRDBZKSWJACT-LSDHHAIUSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CC[NH+]1CCC(C2(NC(=O)CC[N@@H+](C)CC)CC2)CC1 ZINC001755869504 1186095799 /nfs/dbraw/zinc/09/57/99/1186095799.db2.gz IJHDQZQMYKEICB-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP CCCCCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133863698 1163938091 /nfs/dbraw/zinc/93/80/91/1163938091.db2.gz OGLTUGKQSLLJJU-CABCVRRESA-N 2 0 283.460 1.860 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C[NH+](CC)CC ZINC001114353807 1164501310 /nfs/dbraw/zinc/50/13/10/1164501310.db2.gz ZOZZILAVZNCBBD-BARDWOONSA-N 2 0 297.418 1.289 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001399015782 976287667 /nfs/dbraw/zinc/28/76/67/976287667.db2.gz GNBWXWIXIKMYGT-LLVKDONJSA-N 2 0 273.808 1.175 20 30 CDEDRP CC[N@@H+]1CC[C@@H](NC(=[NH2+])c2ccc(Cl)cn2)C1 ZINC001173351375 912443588 /nfs/dbraw/zinc/44/35/88/912443588.db2.gz XKMAOXSHGZRNQL-SNVBAGLBSA-N 2 0 252.749 1.535 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001121931090 913249968 /nfs/dbraw/zinc/24/99/68/913249968.db2.gz CUVQZLJMYFYBKD-KBPBESRZSA-N 2 0 285.432 1.250 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249953 913716835 /nfs/dbraw/zinc/71/68/35/913716835.db2.gz UUDNESYDWBAIOO-BMFZPTHFSA-N 2 0 291.439 1.034 20 30 CDEDRP C=CC[NH2+]CCN1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000396446661 893898511 /nfs/dbraw/zinc/89/85/11/893898511.db2.gz QAJWLEOXXSFLCM-INIZCTEOSA-N 2 0 273.424 1.968 20 30 CDEDRP C=CCCCC[N@@H+]1C[C@@H]2CN(CC)CCO[C@@H]2C1 ZINC001209203767 894538428 /nfs/dbraw/zinc/53/84/28/894538428.db2.gz VRLMENPKTURNDM-LSDHHAIUSA-N 2 0 252.402 1.995 20 30 CDEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001114990252 896646593 /nfs/dbraw/zinc/64/65/93/896646593.db2.gz ZWEXYLQKXKARMG-JJXSEGSLSA-N 2 0 293.455 1.585 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CC)CC1 ZINC001176737833 914235422 /nfs/dbraw/zinc/23/54/22/914235422.db2.gz NMMQMYZPRBBNEI-HNNXBMFYSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001206281115 914250669 /nfs/dbraw/zinc/25/06/69/914250669.db2.gz BGUGUZCATFCKBN-ZBFHGGJFSA-N 2 0 293.455 1.588 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176997078 914424570 /nfs/dbraw/zinc/42/45/70/914424570.db2.gz IDMSHLZANBUSOG-INIZCTEOSA-N 2 0 293.455 1.616 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027477256 900524371 /nfs/dbraw/zinc/52/43/71/900524371.db2.gz DUNIZNFMLOCJJX-OAHLLOKOSA-N 2 0 289.423 1.171 20 30 CDEDRP C=CCCC[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100870408 900814266 /nfs/dbraw/zinc/81/42/66/900814266.db2.gz FNFQTPOMXRLURB-UHFFFAOYSA-N 2 0 297.443 1.015 20 30 CDEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103999840 903081404 /nfs/dbraw/zinc/08/14/04/903081404.db2.gz MRVSVIBUWKGHSP-OAGGEKHMSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001168291023 908916821 /nfs/dbraw/zinc/91/68/21/908916821.db2.gz OANCWTOAYLUSIZ-GJZGRUSLSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001205461315 921614762 /nfs/dbraw/zinc/61/47/62/921614762.db2.gz HCRNHONMAVNCBS-MRXNPFEDSA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001203337003 910993820 /nfs/dbraw/zinc/99/38/20/910993820.db2.gz CTTZZIGKPWGNLM-UHFFFAOYSA-N 2 0 288.395 1.291 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127066274 911263146 /nfs/dbraw/zinc/26/31/46/911263146.db2.gz KSCUHXCIBJLABB-CQSZACIVSA-N 2 0 267.417 1.531 20 30 CDEDRP CC[NH+](CC)CCN(CC[NH3+])[C@@H](C)CCCC#N ZINC001172486453 911691257 /nfs/dbraw/zinc/69/12/57/911691257.db2.gz BUQHZJDWBGDXQN-AWEZNQCLSA-N 2 0 254.422 1.671 20 30 CDEDRP C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH2+]CC1 ZINC001273031289 921692081 /nfs/dbraw/zinc/69/20/81/921692081.db2.gz ULAMJEPVZRAHLM-KRWDZBQOSA-N 2 0 291.439 1.629 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001178634617 915539819 /nfs/dbraw/zinc/53/98/19/915539819.db2.gz ZPXYSFAJORNVGT-INIZCTEOSA-N 2 0 293.455 1.760 20 30 CDEDRP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203359078 915809728 /nfs/dbraw/zinc/80/97/28/915809728.db2.gz NRZIIEYHICYHIT-ZIAGYGMSSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203360959 916107034 /nfs/dbraw/zinc/10/70/34/916107034.db2.gz ZUSDHISCLHUAHP-HUUCEWRRSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001180260012 916228637 /nfs/dbraw/zinc/22/86/37/916228637.db2.gz QJTLKXUSSIKNCW-AWEZNQCLSA-N 2 0 267.417 1.390 20 30 CDEDRP CCCCCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124867636 936340324 /nfs/dbraw/zinc/34/03/24/936340324.db2.gz WWIBYOQGBLSAAY-AWEZNQCLSA-N 2 0 269.433 1.757 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001180352283 916278635 /nfs/dbraw/zinc/27/86/35/916278635.db2.gz NWTMYOYZLWTPHF-HOTGVXAUSA-N 2 0 293.455 1.759 20 30 CDEDRP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001052715598 936398740 /nfs/dbraw/zinc/39/87/40/936398740.db2.gz GIGSYQOQJICWNK-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001181941683 917484439 /nfs/dbraw/zinc/48/44/39/917484439.db2.gz KHYGKXOYZOYIJX-RHSMWYFYSA-N 2 0 295.471 1.977 20 30 CDEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001182606805 918009124 /nfs/dbraw/zinc/00/91/24/918009124.db2.gz AUQRHUKXSLMVLV-HLLBOEOZSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@@H]([N@@H+](C)C(C)C)C1 ZINC001183044292 918270789 /nfs/dbraw/zinc/27/07/89/918270789.db2.gz GRQUVMZFFNJFPX-OAHLLOKOSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183229560 918371883 /nfs/dbraw/zinc/37/18/83/918371883.db2.gz MQXHFFZKWDSRMQ-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001183509804 918513856 /nfs/dbraw/zinc/51/38/56/918513856.db2.gz OSAFHKJLNINOLN-NVXWUHKLSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001183582406 918553639 /nfs/dbraw/zinc/55/36/39/918553639.db2.gz XUVNXZOIRWQJIF-CHWSQXEVSA-N 2 0 253.390 1.093 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000996947107 918740317 /nfs/dbraw/zinc/74/03/17/918740317.db2.gz SSBGVCPHAKRIDG-UHFFFAOYSA-N 2 0 299.846 1.661 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001185551502 919653174 /nfs/dbraw/zinc/65/31/74/919653174.db2.gz ZWNMJHXDQILEOS-CVEARBPZSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)Cn2ccnc2C)C[C@@H]1C ZINC001185689220 919704954 /nfs/dbraw/zinc/70/49/54/919704954.db2.gz BGIIAFWRODRRHG-DZGCQCFKSA-N 2 0 290.411 1.452 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001186090948 919880614 /nfs/dbraw/zinc/88/06/14/919880614.db2.gz STNAAVNHYFAVQB-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187231530 920414867 /nfs/dbraw/zinc/41/48/67/920414867.db2.gz NWOVAVQSUYBOSB-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071873260 936693546 /nfs/dbraw/zinc/69/35/46/936693546.db2.gz UCYFYISEZUMGHH-GOEBONIOSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001190996249 922360217 /nfs/dbraw/zinc/36/02/17/922360217.db2.gz BQLPXQYAIYMJIK-AWEZNQCLSA-N 2 0 279.428 1.273 20 30 CDEDRP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170616 922929848 /nfs/dbraw/zinc/92/98/48/922929848.db2.gz OFOSIESDJXFFHW-HUUCEWRRSA-N 2 0 281.444 1.826 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194011383 924014608 /nfs/dbraw/zinc/01/46/08/924014608.db2.gz SAMJYKBZVJCPQH-KGLIPLIRSA-N 2 0 265.401 1.047 20 30 CDEDRP C#CCN1C[C@]2(CC1=O)CCCCN2CCC[NH+](C)C ZINC001273711605 924809706 /nfs/dbraw/zinc/80/97/06/924809706.db2.gz FZBHBDGTFKNKEE-MRXNPFEDSA-N 2 0 277.412 1.028 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001082559535 924957586 /nfs/dbraw/zinc/95/75/86/924957586.db2.gz IJPFULYQKNXXJR-YUELXQCFSA-N 2 0 279.428 1.339 20 30 CDEDRP C=CC[N@@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198352245 925410761 /nfs/dbraw/zinc/41/07/61/925410761.db2.gz YNMVOIGFROQAOM-UHFFFAOYSA-N 2 0 293.455 1.973 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001201038416 926192606 /nfs/dbraw/zinc/19/26/06/926192606.db2.gz ZSEZPSQZSNPNEB-UHFFFAOYSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085606254 926206706 /nfs/dbraw/zinc/20/67/06/926206706.db2.gz IAVYPIDNTBZXFN-QLFBSQMISA-N 2 0 279.428 1.435 20 30 CDEDRP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103111687 937122859 /nfs/dbraw/zinc/12/28/59/937122859.db2.gz IYYVDIVWIXPTOK-OAGGEKHMSA-N 2 0 293.455 1.280 20 30 CDEDRP C=C(C)C(=O)NCCC[NH2+]C1CC[NH+](CC)CC1 ZINC001169224743 927822850 /nfs/dbraw/zinc/82/28/50/927822850.db2.gz OGFBRIRLIWZIDQ-UHFFFAOYSA-N 2 0 253.390 1.143 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CCC)C2 ZINC001108802699 928638061 /nfs/dbraw/zinc/63/80/61/928638061.db2.gz KHQMLCJCDOTOON-XHSDSOJGSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CCC)C2 ZINC001108804455 928644978 /nfs/dbraw/zinc/64/49/78/928644978.db2.gz SIPNVOYQWLYHHI-KKUMJFAQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151097160 937268815 /nfs/dbraw/zinc/26/88/15/937268815.db2.gz KBMFSIOIDMFCBW-UHFFFAOYSA-N 2 0 267.417 1.534 20 30 CDEDRP C#CCC[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCCC1 ZINC001115697259 937413579 /nfs/dbraw/zinc/41/35/79/937413579.db2.gz AUIVXDGYVKVDSJ-UHFFFAOYSA-N 2 0 293.455 1.760 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135882233 930497334 /nfs/dbraw/zinc/49/73/34/930497334.db2.gz JKAGXTAAAIBCTI-OLZOCXBDSA-N 2 0 289.851 1.954 20 30 CDEDRP N#Cc1cnc(N[C@@H]([NH3+])CCC[NH3+])c2ccccc12 ZINC001170900006 930701684 /nfs/dbraw/zinc/70/16/84/930701684.db2.gz ZOJILPXSIJQTHB-CYBMUJFWSA-N 2 0 255.325 1.542 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153381959 937443835 /nfs/dbraw/zinc/44/38/35/937443835.db2.gz PKKYBULQFYCGFR-ZBFHGGJFSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[C@@H](C)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001144016719 931627553 /nfs/dbraw/zinc/62/75/53/931627553.db2.gz BODSHUBCHCCFMB-OAHLLOKOSA-N 2 0 283.460 1.931 20 30 CDEDRP C#Cc1ccc(C[NH+]2CC3(C2)CCN(CC[NH+](C)C)C3)cc1 ZINC001275131687 931674105 /nfs/dbraw/zinc/67/41/05/931674105.db2.gz HRAQXKVYSYEDFV-UHFFFAOYSA-N 2 0 297.446 1.737 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171160255 931753791 /nfs/dbraw/zinc/75/37/91/931753791.db2.gz DOABQWQYMIZJKK-CABCVRRESA-N 2 0 281.444 1.779 20 30 CDEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C#N)C1 ZINC001160641835 931886421 /nfs/dbraw/zinc/88/64/21/931886421.db2.gz ABLSMHJMNONEGP-KBPBESRZSA-N 2 0 280.416 1.244 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171226272 932037614 /nfs/dbraw/zinc/03/76/14/932037614.db2.gz DZKPZTIMVGJSAC-CQSZACIVSA-N 2 0 267.417 1.390 20 30 CDEDRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1C#N ZINC001275968599 932180102 /nfs/dbraw/zinc/18/01/02/932180102.db2.gz DUSHQXATKYIPDM-ROUUACIJSA-N 2 0 298.434 1.768 20 30 CDEDRP C#CCCC[N@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275975732 932190146 /nfs/dbraw/zinc/19/01/46/932190146.db2.gz MNJODJITCPUKGM-CALCHBBNSA-N 2 0 286.423 1.967 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ccnc1C ZINC001146331348 932235041 /nfs/dbraw/zinc/23/50/41/932235041.db2.gz AWDKLRUDQIDURW-STQMWFEESA-N 2 0 278.400 1.641 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]C(C)C)CC1 ZINC001146610919 932271934 /nfs/dbraw/zinc/27/19/34/932271934.db2.gz KUENXHUNSQLSQS-LSDHHAIUSA-N 2 0 293.455 1.613 20 30 CDEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147834517 932615474 /nfs/dbraw/zinc/61/54/74/932615474.db2.gz LCZGQHSHSJAAGD-CABCVRRESA-N 2 0 297.443 1.015 20 30 CDEDRP C#CC[N@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001148278462 932689974 /nfs/dbraw/zinc/68/99/74/932689974.db2.gz WRZDJLZFXJRKNL-HNNXBMFYSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148352688 932696853 /nfs/dbraw/zinc/69/68/53/932696853.db2.gz OMMPJVXHZGOGDJ-UHFFFAOYSA-N 2 0 261.797 1.177 20 30 CDEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981491 933302632 /nfs/dbraw/zinc/30/26/32/933302632.db2.gz SRCCVLVTJAXHMW-KFWWJZLASA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114743597 934949381 /nfs/dbraw/zinc/94/93/81/934949381.db2.gz MIHJKWFLXBJQHS-ITGUQSILSA-N 2 0 297.830 1.127 20 30 CDEDRP CCCC[N@H+](C)CCNC(=[NH2+])NC[C@H]1CCC[NH+]1CC ZINC000304764878 935088788 /nfs/dbraw/zinc/08/87/88/935088788.db2.gz YPOXHAURFCMBDW-CQSZACIVSA-N 3 0 283.464 1.107 20 30 CDEDRP C#CC[N@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161029105 938860008 /nfs/dbraw/zinc/86/00/08/938860008.db2.gz MWMZITLQGLMAAX-UHFFFAOYSA-N 2 0 277.412 1.100 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ncc(C#N)cc1F ZINC001163128191 939206719 /nfs/dbraw/zinc/20/67/19/939206719.db2.gz DLXGOKDPQJFKQO-UHFFFAOYSA-N 2 0 278.335 1.370 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001164555177 939493458 /nfs/dbraw/zinc/49/34/58/939493458.db2.gz JAIGDLOJFFSCJB-HNNXBMFYSA-N 2 0 291.439 1.390 20 30 CDEDRP C[NH+](C)CCC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001165793785 939577463 /nfs/dbraw/zinc/57/74/63/939577463.db2.gz ACMPGCPOCDURPP-UHFFFAOYSA-N 2 0 288.395 1.106 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001166924499 939649822 /nfs/dbraw/zinc/64/98/22/939649822.db2.gz NJJNQWMRAVQDHB-HNNXBMFYSA-N 2 0 297.443 1.159 20 30 CDEDRP C[C@H]1C[N@H+](Cc2ccnc(C#N)c2)CCC[C@@H]1C[NH3+] ZINC001206025991 939969410 /nfs/dbraw/zinc/96/94/10/939969410.db2.gz QHQHREGSSOTCSU-GXTWGEPZSA-N 2 0 258.369 1.760 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001206890529 940108180 /nfs/dbraw/zinc/10/81/80/940108180.db2.gz WKXVVASDCBWMAF-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207437282 940195631 /nfs/dbraw/zinc/19/56/31/940195631.db2.gz SBOONIBJBUXWSI-IRXDYDNUSA-N 2 0 294.439 1.812 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207541224 940213376 /nfs/dbraw/zinc/21/33/76/940213376.db2.gz ZVLJLVYVGTWUCA-ZIAGYGMSSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208122953 940293683 /nfs/dbraw/zinc/29/36/83/940293683.db2.gz GSXRFLUQIJEMQP-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001208423483 940330236 /nfs/dbraw/zinc/33/02/36/940330236.db2.gz LMEUGQJQAXGKEZ-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001208498232 940336046 /nfs/dbraw/zinc/33/60/46/940336046.db2.gz NWZNKPWTCPUSKG-HNNXBMFYSA-N 2 0 296.374 1.552 20 30 CDEDRP C=CCN(CC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)C(=O)OCC ZINC001209019661 940424063 /nfs/dbraw/zinc/42/40/63/940424063.db2.gz PZKKLLKEWUINPF-CABCVRRESA-N 2 0 295.427 1.514 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210041591 940658728 /nfs/dbraw/zinc/65/87/28/940658728.db2.gz WOMQBVXUQKAVMI-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)Nc1cncc(C[NH3+])c1 ZINC001218703741 941259890 /nfs/dbraw/zinc/25/98/90/941259890.db2.gz HLLSGQHNVSMKIR-AWEZNQCLSA-N 2 0 276.384 1.943 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC001220501151 941451384 /nfs/dbraw/zinc/45/13/84/941451384.db2.gz NWOGZTNZWDNVDE-ZFWWWQNUSA-N 2 0 259.353 1.111 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)C[N@@H+](C)CCC)CC1 ZINC001225228620 941831473 /nfs/dbraw/zinc/83/14/73/941831473.db2.gz RZCAIVPNHNHAAJ-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001225543509 941877283 /nfs/dbraw/zinc/87/72/83/941877283.db2.gz VGBNTWOHSYQDML-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001228962503 942400491 /nfs/dbraw/zinc/40/04/91/942400491.db2.gz GNWQNPADNHZSAF-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228999317 942406014 /nfs/dbraw/zinc/40/60/14/942406014.db2.gz RHNBNDGXHUEUOV-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001229193041 942431097 /nfs/dbraw/zinc/43/10/97/942431097.db2.gz CCFLNHOGKOHYFU-ZBFHGGJFSA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001230147517 942587202 /nfs/dbraw/zinc/58/72/02/942587202.db2.gz HIVFKVQSNQALDS-HUUCEWRRSA-N 2 0 277.412 1.123 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235411897 944147719 /nfs/dbraw/zinc/14/77/19/944147719.db2.gz YLGJMKFWRZRBHA-OAHLLOKOSA-N 2 0 277.412 1.027 20 30 CDEDRP C=C1C[C@@H]2CC([NH2+][C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)C[C@H](C1)C2 ZINC001246139925 947985678 /nfs/dbraw/zinc/98/56/78/947985678.db2.gz YHYRWCWUHCVAEB-MDJNNDMFSA-N 2 0 262.397 1.698 20 30 CDEDRP COC(=O)c1ccc(C(=[NH2+])N[C@H]2CCCC[NH2+]C2)cc1 ZINC001246306895 948095550 /nfs/dbraw/zinc/09/55/50/948095550.db2.gz ZTQBRZLNQJKVSJ-ZDUSSCGKSA-N 2 0 275.352 1.321 20 30 CDEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246763601 948427485 /nfs/dbraw/zinc/42/74/85/948427485.db2.gz BWWKOWFOYPMMDA-HOTGVXAUSA-N 2 0 280.412 1.565 20 30 CDEDRP C=C1C[C@@H]2CC([N@H+]3C[C@H](N)[C@H](C(=O)OC)C3)C[C@H](C1)C2 ZINC001246928746 948524188 /nfs/dbraw/zinc/52/41/88/948524188.db2.gz AGLZYOWJAWBFIY-WQGXVZNYSA-N 2 0 278.396 1.553 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]CC1CC[NH+](C2CCC2)CC1 ZINC001252495246 951370048 /nfs/dbraw/zinc/37/00/48/951370048.db2.gz LOXMFMOMOJSTAR-MRXNPFEDSA-N 2 0 282.428 1.404 20 30 CDEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001480763884 971869410 /nfs/dbraw/zinc/86/94/10/971869410.db2.gz NIUUZUQKHMUJDC-LSDHHAIUSA-N 2 0 279.428 1.367 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC001340296352 962871358 /nfs/dbraw/zinc/87/13/58/962871358.db2.gz HUSDPAAGETWKSV-JKSUJKDBSA-N 2 0 287.407 1.673 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001340753164 963107265 /nfs/dbraw/zinc/10/72/65/963107265.db2.gz OCBJVYGQWVCFLR-GSPSYOTPSA-N 2 0 265.401 1.411 20 30 CDEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001100187713 967592033 /nfs/dbraw/zinc/59/20/33/967592033.db2.gz JLUZRWNSLNYDGG-YMAMQOFZSA-N 2 0 279.428 1.531 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001418059590 973562196 /nfs/dbraw/zinc/56/21/96/973562196.db2.gz BAARNAWTQANACC-HAQNSBGRSA-N 2 0 285.819 1.460 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001374233565 973845815 /nfs/dbraw/zinc/84/58/15/973845815.db2.gz NIMQBYJVERRJFM-LBPRGKRZSA-N 2 0 287.835 1.660 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001405786031 975859893 /nfs/dbraw/zinc/85/98/93/975859893.db2.gz ZBGJLCXKKIYJHF-YPMHNXCESA-N 2 0 287.835 1.565 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001390601735 976384699 /nfs/dbraw/zinc/38/46/99/976384699.db2.gz VEVUCDIMTPREEN-CYBMUJFWSA-N 2 0 287.835 1.519 20 30 CDEDRP C=CCOCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132277403 1163225332 /nfs/dbraw/zinc/22/53/32/1163225332.db2.gz GRYAERREPOCHIJ-LSDHHAIUSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001132436346 1163291654 /nfs/dbraw/zinc/29/16/54/1163291654.db2.gz KUNYURFEJZGPQL-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001133073274 1163552590 /nfs/dbraw/zinc/55/25/90/1163552590.db2.gz SBGNFPBUOVWFGS-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001571400872 1170412406 /nfs/dbraw/zinc/41/24/06/1170412406.db2.gz SGWDGSGXVBJXPR-QWHCGFSZSA-N 2 0 253.390 1.093 20 30 CDEDRP N#C[C@@H]1CC[C@@H]([NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000590162580 342523674 /nfs/dbraw/zinc/52/36/74/342523674.db2.gz TVGGUMJMGBKTLM-UKRRQHHQSA-N 2 0 256.353 1.896 20 30 CDEDRP CC[C@@H](C#N)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000593444711 342798047 /nfs/dbraw/zinc/79/80/47/342798047.db2.gz YCGJWTZBAGCVNM-GJZGRUSLSA-N 2 0 294.443 1.411 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442891403 362102872 /nfs/dbraw/zinc/10/28/72/362102872.db2.gz ROBVYFNISMTUBJ-CQSZACIVSA-N 2 0 253.434 1.957 20 30 CDEDRP N#Cc1ccc(N2CCC([NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000333246091 136385659 /nfs/dbraw/zinc/38/56/59/136385659.db2.gz FTKKPGJMNOVWPO-FVQHAEBGSA-N 2 0 282.391 1.334 20 30 CDEDRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598596065 343840338 /nfs/dbraw/zinc/84/03/38/343840338.db2.gz QJJDZZALODLTRO-CABCVRRESA-N 2 0 281.444 1.951 20 30 CDEDRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCCC#N)CC1 ZINC000171037890 362292059 /nfs/dbraw/zinc/29/20/59/362292059.db2.gz WIEPGTRLYBDSOM-UHFFFAOYSA-N 2 0 280.416 1.070 20 30 CDEDRP C[N@H+](CC(=O)NC1(C#N)CC[NH+](C)CC1)CC(C)(C)C ZINC000602094513 344344174 /nfs/dbraw/zinc/34/41/74/344344174.db2.gz ALLQUWLGSDYQJG-UHFFFAOYSA-N 2 0 280.416 1.068 20 30 CDEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602683459 344529570 /nfs/dbraw/zinc/52/95/70/344529570.db2.gz ZVBFEUIEKCNEAJ-HNNXBMFYSA-N 2 0 280.460 1.932 20 30 CDEDRP CNC(NCc1ccccc1C[N@H+](C)C(C)C)=[NH+]C ZINC000057888018 347114978 /nfs/dbraw/zinc/11/49/78/347114978.db2.gz UQZHCNMBDNHRFP-UHFFFAOYSA-N 2 0 262.401 1.822 20 30 CDEDRP CN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000613255102 347542640 /nfs/dbraw/zinc/54/26/40/347542640.db2.gz KHUOADFZWIYWFC-CVEARBPZSA-N 2 0 278.444 1.686 20 30 CDEDRP CC[NH+](CC)Cc1ccc(CNC(NC)=[NH+]C)cc1 ZINC000057887571 348850752 /nfs/dbraw/zinc/85/07/52/348850752.db2.gz VFBJLXAWMPRDPA-UHFFFAOYSA-N 2 0 262.401 1.823 20 30 CDEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)N1CC[NH+](C)CC1 ZINC000105465876 186059152 /nfs/dbraw/zinc/05/91/52/186059152.db2.gz VTARUGKCGBSWEP-AWEZNQCLSA-N 2 0 272.396 1.284 20 30 CDEDRP CC[N@@H+]1CC[C@@H](CNC(NCc2ccco2)=[NH+]C)C1 ZINC000264039242 362952929 /nfs/dbraw/zinc/95/29/29/362952929.db2.gz HYPKWKPXKUWJCU-LBPRGKRZSA-N 2 0 264.373 1.286 20 30 CDEDRP CN(C)C(=[NH+]CCC[N@@H+]1CCc2ccccc2C1)N(C)C ZINC000264069167 362956472 /nfs/dbraw/zinc/95/64/72/362956472.db2.gz CRDUKEQOFFACNM-UHFFFAOYSA-N 2 0 288.439 1.914 20 30 CDEDRP C[C@@H]1C[NH+](CCCNC(=[NH2+])Nc2ccccc2)C[C@@H](C)O1 ZINC000264072101 362958028 /nfs/dbraw/zinc/95/80/28/362958028.db2.gz GKSJRVMLLCNHOJ-ZIAGYGMSSA-N 2 0 290.411 1.913 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000264091737 362964286 /nfs/dbraw/zinc/96/42/86/362964286.db2.gz LFWDMLOMPYKOHL-CYBMUJFWSA-N 2 0 276.384 1.906 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)C(C)C ZINC000236667220 358795916 /nfs/dbraw/zinc/79/59/16/358795916.db2.gz ASCRGVOYTYBLJE-CVEARBPZSA-N 2 0 293.455 1.943 20 30 CDEDRP C=CCOCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000348033559 359782927 /nfs/dbraw/zinc/78/29/27/359782927.db2.gz MXEIZDBGYSOAQJ-HUUCEWRRSA-N 2 0 252.402 1.995 20 30 CDEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682577 364396003 /nfs/dbraw/zinc/39/60/03/364396003.db2.gz YUOIZIRUPCELSX-AWEZNQCLSA-N 2 0 288.395 1.284 20 30 CDEDRP CC(C)[N@H+](C)CC1CC[NH+](CCOCCC#N)CC1 ZINC000580101524 364625597 /nfs/dbraw/zinc/62/55/97/364625597.db2.gz WBGHRISUPNLSGL-UHFFFAOYSA-N 2 0 267.417 1.969 20 30 CDEDRP CC[NH+](CC)CCCNC(=[NH2+])NCc1ccccc1OC ZINC000170905334 365158509 /nfs/dbraw/zinc/15/85/09/365158509.db2.gz IUZFXOLCSIJURI-UHFFFAOYSA-N 2 0 292.427 1.831 20 30 CDEDRP C=CCN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000153989270 370893284 /nfs/dbraw/zinc/89/32/84/370893284.db2.gz DJYSZAYMXZEGPJ-HUUCEWRRSA-N 2 0 251.418 1.663 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])CCC(C)C)CC1 ZINC000638098814 368335662 /nfs/dbraw/zinc/33/56/62/368335662.db2.gz DEGWJRSZEHJTIQ-CQSZACIVSA-N 2 0 267.417 1.517 20 30 CDEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(C#N)cs1 ZINC000177697965 372109830 /nfs/dbraw/zinc/10/98/30/372109830.db2.gz HJIXJQDXPBDYQL-LBPRGKRZSA-N 2 0 278.425 1.345 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1sc(C)nc1C ZINC000267461508 391196297 /nfs/dbraw/zinc/19/62/97/391196297.db2.gz VJHHDGKEMHQZOM-GFCCVEGCSA-N 2 0 295.456 1.649 20 30 CDEDRP CN(CCC[N@H+](C)[C@@H]1CC[C@@H](C#N)C1)CC[NH+](C)C ZINC000339206728 391269179 /nfs/dbraw/zinc/26/91/79/391269179.db2.gz XFNGDHYTVKHJAS-HUUCEWRRSA-N 2 0 266.433 1.494 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000372332677 391848466 /nfs/dbraw/zinc/84/84/66/391848466.db2.gz OCRJZABZPJNVPG-GJZGRUSLSA-N 2 0 251.418 1.520 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372332679 391848545 /nfs/dbraw/zinc/84/85/45/391848545.db2.gz OCRJZABZPJNVPG-HUUCEWRRSA-N 2 0 251.418 1.520 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C[NH2+]C)C(C)C ZINC000237235224 131016480 /nfs/dbraw/zinc/01/64/80/131016480.db2.gz XCSPJIRWAHJDFI-CYBMUJFWSA-N 2 0 253.390 1.021 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659450035 413837033 /nfs/dbraw/zinc/83/70/33/413837033.db2.gz FMSFBOMARRKSMA-UHFFFAOYSA-N 2 0 294.443 1.598 20 30 CDEDRP [NH2+]=C(NCC[NH+]1CCCC1)Nc1ccc2c(c1)CCC2 ZINC000170907834 261448275 /nfs/dbraw/zinc/44/82/75/261448275.db2.gz RWBZCUIWYROKHB-UHFFFAOYSA-N 2 0 272.396 1.998 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C[C@@H](C)[NH3+])C(C)C ZINC000340186207 263084369 /nfs/dbraw/zinc/08/43/69/263084369.db2.gz ZLKFWELXCLSIIA-KGLIPLIRSA-N 2 0 267.417 1.539 20 30 CDEDRP CNC(NCc1ccc(OC2CC[NH+](C)CC2)cc1)=[NH+]C ZINC000284169829 263086117 /nfs/dbraw/zinc/08/61/17/263086117.db2.gz WXMIOHQAJFFKNR-UHFFFAOYSA-N 2 0 290.411 1.454 20 30 CDEDRP C=CCN(CC=C)[C@@H](CNC1=[NH+]C[C@@H](C)N1)C(C)C ZINC000285023391 263089432 /nfs/dbraw/zinc/08/94/32/263089432.db2.gz JIGWIERICFAUBP-KGLIPLIRSA-N 2 0 264.417 1.622 20 30 CDEDRP CC[NH+](CC)[C@@H](CNC1=[NH+]C[C@H](C)N1)Cc1ccccc1 ZINC000285159016 263090808 /nfs/dbraw/zinc/09/08/08/263090808.db2.gz SLEDEPGNDBYCQK-GOEBONIOSA-N 2 0 288.439 1.877 20 30 CDEDRP C=CC[C@]1(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000662679965 424299408 /nfs/dbraw/zinc/29/94/08/424299408.db2.gz QNYHMOZUAQQWHR-HLLBOEOZSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(C)(C)[NH3+])C(C)C ZINC000236654037 277847257 /nfs/dbraw/zinc/84/72/57/277847257.db2.gz HUWARRCYNYPJDU-ZDUSSCGKSA-N 2 0 267.417 1.539 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1F ZINC000264147340 328157548 /nfs/dbraw/zinc/15/75/48/328157548.db2.gz YHZSQAFPERRQKU-ZDUSSCGKSA-N 2 0 278.375 1.714 20 30 CDEDRP CCCNC(=[NH2+])NC[C@H](c1cccc(F)c1)N(C)C ZINC000264148304 328157979 /nfs/dbraw/zinc/15/79/79/328157979.db2.gz YMAHFSKJMCOYRE-CYBMUJFWSA-N 2 0 266.364 1.743 20 30 CDEDRP COCCC[NH+]1CCC(NC[C@@H](C#N)CCC#N)CC1 ZINC000564442906 327041289 /nfs/dbraw/zinc/04/12/89/327041289.db2.gz ACKPTJJPXFJGRA-CQSZACIVSA-N 2 0 278.400 1.520 20 30 CDEDRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000262453899 330014274 /nfs/dbraw/zinc/01/42/74/330014274.db2.gz WKPTUNPOVIXADO-CYBMUJFWSA-N 2 0 266.433 1.811 20 30 CDEDRP C[NH+]=C(NCC1CC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262702935 330028030 /nfs/dbraw/zinc/02/80/30/330028030.db2.gz BCGHHHNANGHCHU-GFCCVEGCSA-N 2 0 250.390 1.046 20 30 CDEDRP C=CCC[C@H](CO)[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423151787 330172855 /nfs/dbraw/zinc/17/28/55/330172855.db2.gz DYLCTBUXVVYNQS-ZIAGYGMSSA-N 2 0 298.427 1.225 20 30 CDEDRP CCOC(=O)C1([C@@H](C)[NH2+]CC(C)(C)CC#N)CC[NH2+]CC1 ZINC000423170326 330174450 /nfs/dbraw/zinc/17/44/50/330174450.db2.gz LQBMQSVLXWLVRH-CYBMUJFWSA-N 2 0 295.427 1.837 20 30 CDEDRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424127601 330259633 /nfs/dbraw/zinc/25/96/33/330259633.db2.gz BDWQNAJUICINQT-UONOGXRCSA-N 2 0 280.416 1.388 20 30 CDEDRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])CCCC#N)C[C@H]1C ZINC000424142131 330284112 /nfs/dbraw/zinc/28/41/12/330284112.db2.gz HXMKIRYFIAICML-HZSPNIEDSA-N 2 0 280.416 1.339 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000424189388 330322308 /nfs/dbraw/zinc/32/23/08/330322308.db2.gz KOGNDDAURAEMBB-HNNXBMFYSA-N 2 0 292.427 1.484 20 30 CDEDRP C#CCNC(=O)CC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000491068190 332145150 /nfs/dbraw/zinc/14/51/50/332145150.db2.gz NBMYATBMFFMODK-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001752157797 1159457068 /nfs/dbraw/zinc/45/70/68/1159457068.db2.gz LFFPFVUBCFMIHZ-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000669465040 483173053 /nfs/dbraw/zinc/17/30/53/483173053.db2.gz JXNOAYXZOLPPGY-OAHLLOKOSA-N 2 0 294.443 1.468 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)CC1 ZINC000334893157 526429370 /nfs/dbraw/zinc/42/93/70/526429370.db2.gz SKLIMQOKFIQREJ-QWHCGFSZSA-N 2 0 280.416 1.029 20 30 CDEDRP C[NH+](C)CCCC1CC[NH+](CC(=O)NCCC#N)CC1 ZINC000766992581 576152636 /nfs/dbraw/zinc/15/26/36/576152636.db2.gz KQFIQTKALLIGAW-UHFFFAOYSA-N 2 0 280.416 1.070 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000939453430 612968494 /nfs/dbraw/zinc/96/84/94/612968494.db2.gz HKZUUDUYFAHFOM-GDBMZVCRSA-N 2 0 291.439 1.177 20 30 CDEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000969411828 613249183 /nfs/dbraw/zinc/24/91/83/613249183.db2.gz QZKVRGDMJQHSCZ-DZGCQCFKSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000947723121 613258840 /nfs/dbraw/zinc/25/88/40/613258840.db2.gz RCYKHGDMYKRHEZ-CABCVRRESA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000971674275 613287653 /nfs/dbraw/zinc/28/76/53/613287653.db2.gz PCJODPZGAWMAMQ-AWEZNQCLSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000981953451 613308321 /nfs/dbraw/zinc/30/83/21/613308321.db2.gz NSRXPZWCTDKIHX-OAHLLOKOSA-N 2 0 279.428 1.581 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981194458 613309315 /nfs/dbraw/zinc/30/93/15/613309315.db2.gz RDSYXYXLGDDYPC-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000968903971 613348873 /nfs/dbraw/zinc/34/88/73/613348873.db2.gz DFTGQUZMLHJMPA-JKSUJKDBSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000968724263 613384947 /nfs/dbraw/zinc/38/49/47/613384947.db2.gz DDFCXSGRALREAV-JHJVBQTASA-N 2 0 285.819 1.270 20 30 CDEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000970747368 613482001 /nfs/dbraw/zinc/48/20/01/613482001.db2.gz WKIMWBRAUGWCND-CYBMUJFWSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000957774641 613502992 /nfs/dbraw/zinc/50/29/92/613502992.db2.gz XJKKDCGWDBAMRM-UHFFFAOYSA-N 2 0 279.428 1.583 20 30 CDEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974604752 613545417 /nfs/dbraw/zinc/54/54/17/613545417.db2.gz JZZYGMNWHXXSSX-RBSFLKMASA-N 2 0 293.455 1.729 20 30 CDEDRP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000964379367 613859327 /nfs/dbraw/zinc/85/93/27/613859327.db2.gz ZBBVXZZGILFNRF-WLYUNCDWSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000968916128 613864734 /nfs/dbraw/zinc/86/47/34/613864734.db2.gz XDJSILYEQRSKKK-ZBFHGGJFSA-N 2 0 291.439 1.770 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCC(C)(C)C[NH+]1CCCC1 ZINC000849022099 617706245 /nfs/dbraw/zinc/70/62/45/617706245.db2.gz ZXYZBMVQAHIZDS-UHFFFAOYSA-N 2 0 252.406 1.798 20 30 CDEDRP CC[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cccc(C#N)c1 ZINC000902954932 625688819 /nfs/dbraw/zinc/68/88/19/625688819.db2.gz ZMSXAMYNIPLKSP-HOTGVXAUSA-N 2 0 273.380 1.666 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000911813590 629506664 /nfs/dbraw/zinc/50/66/64/629506664.db2.gz YXFOQGKRYKEYAD-UONOGXRCSA-N 2 0 269.433 1.885 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000911872565 629574958 /nfs/dbraw/zinc/57/49/58/629574958.db2.gz ZBAJBSZIJOJLIR-QWHCGFSZSA-N 2 0 255.406 1.502 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000911883801 629611592 /nfs/dbraw/zinc/61/15/92/629611592.db2.gz ZYYPPLCXDXCODK-ILXRZTDVSA-N 2 0 299.459 1.639 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001006919769 686061686 /nfs/dbraw/zinc/06/16/86/686061686.db2.gz UZKGRSCKIOAJCT-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001052956570 685390401 /nfs/dbraw/zinc/39/04/01/685390401.db2.gz VAOHHTOVLYXBKP-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]cn2)[C@H](C)C1 ZINC001044626810 685472550 /nfs/dbraw/zinc/47/25/50/685472550.db2.gz MJMBYPOEWFGBCW-ZIAGYGMSSA-N 2 0 290.411 1.888 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009538149 684346968 /nfs/dbraw/zinc/34/69/68/684346968.db2.gz QNFFHURFALUGHX-AWEZNQCLSA-N 2 0 265.401 1.239 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001020236070 684354786 /nfs/dbraw/zinc/35/47/86/684354786.db2.gz QJUXMTSGVMWUTP-KKUMJFAQSA-N 2 0 279.428 1.387 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000996946951 684527865 /nfs/dbraw/zinc/52/78/65/684527865.db2.gz QKNPRLTWQOEZJS-UHFFFAOYSA-N 2 0 265.401 1.095 20 30 CDEDRP CCCC[N@H+](C)CCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000304765788 684569116 /nfs/dbraw/zinc/56/91/16/684569116.db2.gz ZSWBVUUVVQFRLY-CYBMUJFWSA-N 2 0 254.422 1.765 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2cccc3nccn32)[C@@H]1C ZINC000986543221 684634694 /nfs/dbraw/zinc/63/46/94/684634694.db2.gz ILJGXZAUVNBGME-OLZOCXBDSA-N 2 0 284.363 1.713 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC)C1 ZINC001007518462 684662835 /nfs/dbraw/zinc/66/28/35/684662835.db2.gz BVZKDKCWKIWERV-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015794472 684699868 /nfs/dbraw/zinc/69/98/68/684699868.db2.gz HHBRMAVEUMBZQC-HUUCEWRRSA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014469671 684701217 /nfs/dbraw/zinc/70/12/17/684701217.db2.gz SRPXUFQIQRGNOJ-HZPDHXFCSA-N 2 0 291.439 1.485 20 30 CDEDRP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015597381 684816743 /nfs/dbraw/zinc/81/67/43/684816743.db2.gz RBVAOMRJORLTMS-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001001401177 684837155 /nfs/dbraw/zinc/83/71/55/684837155.db2.gz CAIMVCDVXRTSJG-INIZCTEOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000854735773 684854984 /nfs/dbraw/zinc/85/49/84/684854984.db2.gz WSCSJMRJYVEPPR-HNNXBMFYSA-N 2 0 265.401 1.049 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703684 684898288 /nfs/dbraw/zinc/89/82/88/684898288.db2.gz QNSPIWFCDXXFOA-OAHLLOKOSA-N 2 0 291.439 1.487 20 30 CDEDRP CC[NH+](CC)CCCNC(=[NH2+])N1CCCCCC1 ZINC000125858577 684969209 /nfs/dbraw/zinc/96/92/09/684969209.db2.gz MMQSRYJOJKPMEU-UHFFFAOYSA-N 2 0 254.422 1.909 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001075039135 684991745 /nfs/dbraw/zinc/99/17/45/684991745.db2.gz XZFRUPWWQWSQQH-MJBXVCDLSA-N 2 0 299.846 1.660 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001020519473 685011863 /nfs/dbraw/zinc/01/18/63/685011863.db2.gz JCLBDCZPVDWCNK-HDJSIYSDSA-N 2 0 291.395 1.768 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001026348026 685029060 /nfs/dbraw/zinc/02/90/60/685029060.db2.gz CGBKUAFBKXWBBJ-HRCADAONSA-N 2 0 291.439 1.341 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027449636 685068883 /nfs/dbraw/zinc/06/88/83/685068883.db2.gz FCCXKNNENRLLNO-HZPDHXFCSA-N 2 0 291.439 1.417 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cncc(C)c1 ZINC000130968761 685679937 /nfs/dbraw/zinc/67/99/37/685679937.db2.gz RRFVMIZWDVULPU-AWEZNQCLSA-N 2 0 275.400 1.279 20 30 CDEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001054198594 685749973 /nfs/dbraw/zinc/74/99/73/685749973.db2.gz AOQIUHBTFJHTGB-DOTOQJQBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033077464 685756823 /nfs/dbraw/zinc/75/68/23/685756823.db2.gz ROPJGSVVAXDRKH-OAHLLOKOSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CCOCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000851750393 685850975 /nfs/dbraw/zinc/85/09/75/685850975.db2.gz FATBDPLIRRBCHE-UHFFFAOYSA-N 2 0 252.402 1.688 20 30 CDEDRP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]cnc1C ZINC001032753075 685863726 /nfs/dbraw/zinc/86/37/26/685863726.db2.gz CXMOICXGVNMSBS-KBPBESRZSA-N 2 0 288.395 1.512 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(N[C@@H]1C[C@@H](OC)C1(C)C)=[NH+]C ZINC000261633529 685906836 /nfs/dbraw/zinc/90/68/36/685906836.db2.gz CRCOVKYIWBLKOJ-MGPQQGTHSA-N 2 0 296.459 1.449 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CC=CCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261936680 685930383 /nfs/dbraw/zinc/93/03/83/685930383.db2.gz CQNKEMUHMRFYRD-IIAWOOMASA-N 2 0 290.455 1.990 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000837173054 685958743 /nfs/dbraw/zinc/95/87/43/685958743.db2.gz VJMHWCINZGYLCU-UHFFFAOYSA-N 2 0 253.390 1.095 20 30 CDEDRP C[C@H](CCNC(=[NH2+])NC(C)(C)C)[NH+]1CCCCC1 ZINC000305815047 686134482 /nfs/dbraw/zinc/13/44/82/686134482.db2.gz LRQGWSNDPNEWKJ-GFCCVEGCSA-N 2 0 254.422 1.954 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001022715424 686218948 /nfs/dbraw/zinc/21/89/48/686218948.db2.gz IJOGLBZXODVPCQ-WCFLWFBJSA-N 2 0 285.819 1.318 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCc3ncc[nH]3)C[C@@H]12 ZINC001026252387 686277981 /nfs/dbraw/zinc/27/79/81/686277981.db2.gz QVXFGRKOCVEROJ-MGPQQGTHSA-N 2 0 288.395 1.355 20 30 CDEDRP N#Cc1ccc(NCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000927163526 686367299 /nfs/dbraw/zinc/36/72/99/686367299.db2.gz KXFGJEDEPFCCDB-GJZGRUSLSA-N 2 0 285.395 1.582 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041139474 686442239 /nfs/dbraw/zinc/44/22/39/686442239.db2.gz GZZULNQMZBTYOY-DOTOQJQBSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694226 686468709 /nfs/dbraw/zinc/46/87/09/686468709.db2.gz UXPXDMANHYELMX-MRXNPFEDSA-N 2 0 291.439 1.418 20 30 CDEDRP C=CCN(Cc1cccs1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923301395 686589960 /nfs/dbraw/zinc/58/99/60/686589960.db2.gz GWAZREASMKVEOL-DRZSPHRISA-N 2 0 252.383 1.587 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001015705449 686643208 /nfs/dbraw/zinc/64/32/08/686643208.db2.gz LKAMKTONXHEPOP-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001028093928 686695755 /nfs/dbraw/zinc/69/57/55/686695755.db2.gz RSEIPUYUFGKWLG-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028656707 686709529 /nfs/dbraw/zinc/70/95/29/686709529.db2.gz NCFGUZINUFVFDY-HNNXBMFYSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001034403341 686752945 /nfs/dbraw/zinc/75/29/45/686752945.db2.gz WVGHQGYQGHUNIB-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C[NH+]=C(NCC1CCC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000261814263 686809494 /nfs/dbraw/zinc/80/94/94/686809494.db2.gz SYCIKPXLPODELI-OAHLLOKOSA-N 2 0 294.443 1.016 20 30 CDEDRP C=CCC[NH+]1CCC(N(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001006298658 686815520 /nfs/dbraw/zinc/81/55/20/686815520.db2.gz KTUNRGKIHHOYHE-UHFFFAOYSA-N 2 0 291.439 1.581 20 30 CDEDRP COCCNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000066242732 686827069 /nfs/dbraw/zinc/82/70/69/686827069.db2.gz MWYICLRQJANEEQ-CQSZACIVSA-N 2 0 284.448 1.438 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001020679148 686850009 /nfs/dbraw/zinc/85/00/09/686850009.db2.gz HSIBZVOPZAMBKS-HDJSIYSDSA-N 2 0 299.846 1.708 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001003736982 686889443 /nfs/dbraw/zinc/88/94/43/686889443.db2.gz BUSIAHXBASAODN-INIZCTEOSA-N 2 0 291.439 1.463 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996613001 686905003 /nfs/dbraw/zinc/90/50/03/686905003.db2.gz SVJFDGVIFHYSEY-CYBMUJFWSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001074655324 686940311 /nfs/dbraw/zinc/94/03/11/686940311.db2.gz ZSCPELRKHBNCHV-CFVMTHIKSA-N 2 0 277.412 1.093 20 30 CDEDRP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000723703509 687009487 /nfs/dbraw/zinc/00/94/87/687009487.db2.gz PXOCODKQUDWQLZ-DZGCQCFKSA-N 2 0 259.353 1.262 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038520418 687065343 /nfs/dbraw/zinc/06/53/43/687065343.db2.gz PTRWMQJDDIEKME-OAHLLOKOSA-N 2 0 282.347 1.162 20 30 CDEDRP C#CCC[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001005993169 687121334 /nfs/dbraw/zinc/12/13/34/687121334.db2.gz ZIRVZCOTGAERFE-HNNXBMFYSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000817021080 687137039 /nfs/dbraw/zinc/13/70/39/687137039.db2.gz SUWRTQLNLJPQHI-ZDUSSCGKSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001020214374 687144345 /nfs/dbraw/zinc/14/43/45/687144345.db2.gz QVEHITQXZMCUFA-KKUMJFAQSA-N 2 0 279.428 1.674 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001014722302 687145209 /nfs/dbraw/zinc/14/52/09/687145209.db2.gz LYZKLDMMFIVFKM-CVEARBPZSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000989486620 687150759 /nfs/dbraw/zinc/15/07/59/687150759.db2.gz OXTRHJRPFQUOPV-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001000714431 687151475 /nfs/dbraw/zinc/15/14/75/687151475.db2.gz AFJIISYMOUZFCT-CYBMUJFWSA-N 2 0 288.395 1.528 20 30 CDEDRP C=C(C)C[N@H+]1CCCN(C(=O)Cc2cncn2C)CC1 ZINC000989482743 687207225 /nfs/dbraw/zinc/20/72/25/687207225.db2.gz HIBIDAROCHANCO-UHFFFAOYSA-N 2 0 276.384 1.073 20 30 CDEDRP C#CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC000992172815 687227195 /nfs/dbraw/zinc/22/71/95/687227195.db2.gz BAMKQHZVYUKDPZ-ZMSDIMECSA-N 2 0 289.423 1.217 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015794473 687312597 /nfs/dbraw/zinc/31/25/97/687312597.db2.gz HHBRMAVEUMBZQC-LSDHHAIUSA-N 2 0 279.428 1.626 20 30 CDEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCOCCC#N ZINC000815074501 687362540 /nfs/dbraw/zinc/36/25/40/687362540.db2.gz VAIGVCGVJXTZFG-ILXRZTDVSA-N 2 0 281.400 1.100 20 30 CDEDRP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034526019 687403863 /nfs/dbraw/zinc/40/38/63/687403863.db2.gz RUDPOAMUFZRHOF-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001035667873 687415720 /nfs/dbraw/zinc/41/57/20/687415720.db2.gz ABRDFOVGZZSUDB-AWEZNQCLSA-N 2 0 277.412 1.191 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027653362 687427849 /nfs/dbraw/zinc/42/78/49/687427849.db2.gz YOZYSFRCVAHPQE-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP CC#CC[N@@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071995553 687454726 /nfs/dbraw/zinc/45/47/26/687454726.db2.gz LMTFRFUKXSEZPS-LSDHHAIUSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2 ZINC001035733854 687469150 /nfs/dbraw/zinc/46/91/50/687469150.db2.gz ZZAZPZBALKTHOH-OAHLLOKOSA-N 2 0 291.439 1.274 20 30 CDEDRP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C[C@@H](O)c1ccc(C#N)cc1 ZINC000931724936 687473462 /nfs/dbraw/zinc/47/34/62/687473462.db2.gz MDYHLFKOYQDTRL-GVDBMIGSSA-N 2 0 285.391 1.760 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001002476074 687494307 /nfs/dbraw/zinc/49/43/07/687494307.db2.gz PBLAXBRHNLHCSG-AWEZNQCLSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001043641213 687693613 /nfs/dbraw/zinc/69/36/13/687693613.db2.gz JOMGDBRCERVTRB-GJZGRUSLSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001020347856 687785599 /nfs/dbraw/zinc/78/55/99/687785599.db2.gz AXIYYUCLDBRMGR-JOCQHMNTSA-N 2 0 263.385 1.038 20 30 CDEDRP C[NH+]=C(NC[C@@H](C)[NH+]1CCC(C)CC1)NC1CC1 ZINC000848998797 687834081 /nfs/dbraw/zinc/83/40/81/687834081.db2.gz YBNAFLJSRUTHGU-GFCCVEGCSA-N 2 0 252.406 1.434 20 30 CDEDRP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2ccnc2C)C1 ZINC001009522691 687869418 /nfs/dbraw/zinc/86/94/18/687869418.db2.gz HVEMICFEMNYSBL-HNNXBMFYSA-N 2 0 290.411 1.738 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001003008349 687882162 /nfs/dbraw/zinc/88/21/62/687882162.db2.gz NPXWOGYBJRFLNH-HNNXBMFYSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001028661521 687897472 /nfs/dbraw/zinc/89/74/72/687897472.db2.gz LDIMPUZRTMONBI-AWEZNQCLSA-N 2 0 296.374 1.409 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001038265012 687909926 /nfs/dbraw/zinc/90/99/26/687909926.db2.gz GBXVGPMZOJNFSV-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001038262827 688046494 /nfs/dbraw/zinc/04/64/94/688046494.db2.gz OTMKLJDECZTGRC-LSDHHAIUSA-N 2 0 277.412 1.095 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999571893 688144289 /nfs/dbraw/zinc/14/42/89/688144289.db2.gz BGEYMRLIFQGZGX-HZPDHXFCSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001020586205 688149571 /nfs/dbraw/zinc/14/95/71/688149571.db2.gz ICBAPHVZAXBEBU-MGPQQGTHSA-N 2 0 265.401 1.284 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)CC[N@@H+](C)CC ZINC001170211510 1162300438 /nfs/dbraw/zinc/30/04/38/1162300438.db2.gz OIKBOCUKHYEAMG-UHFFFAOYSA-N 2 0 261.797 1.177 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129949883 1162507640 /nfs/dbraw/zinc/50/76/40/1162507640.db2.gz JKSQVBGDNXIKCK-ZDUSSCGKSA-N 2 0 255.406 1.245 20 30 CDEDRP CC[C@H](C(=O)NCC[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001130197729 1162568835 /nfs/dbraw/zinc/56/88/35/1162568835.db2.gz OARHRWXAAYLFSU-OAHLLOKOSA-N 2 0 288.395 1.104 20 30 CDEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130713315 1162698296 /nfs/dbraw/zinc/69/82/96/1162698296.db2.gz KMPHLLQXNLBSSX-OAHLLOKOSA-N 2 0 297.443 1.015 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130867543 1162740326 /nfs/dbraw/zinc/74/03/26/1162740326.db2.gz JNUYKHSDOZLCSY-UHFFFAOYSA-N 2 0 258.325 1.230 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211082442 1158682491 /nfs/dbraw/zinc/68/24/91/1158682491.db2.gz SPRFPPJFCYKBAN-OAHLLOKOSA-N 2 0 279.428 1.629 20 30 CDEDRP C=CCOCC[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131840399 1163071576 /nfs/dbraw/zinc/07/15/76/1163071576.db2.gz JMLPTQDYKRMQPK-UHFFFAOYSA-N 2 0 297.443 1.159 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001113300167 1162150859 /nfs/dbraw/zinc/15/08/59/1162150859.db2.gz JQZCKDBPTQQLJN-CQSZACIVSA-N 2 0 267.417 1.437 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001132738518 1163460313 /nfs/dbraw/zinc/46/03/13/1163460313.db2.gz GQGURJJWTQMYJQ-AWEZNQCLSA-N 2 0 267.417 1.390 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133684087 1163843122 /nfs/dbraw/zinc/84/31/22/1163843122.db2.gz CMZDXRNVVVLFLN-LBPRGKRZSA-N 2 0 275.824 1.565 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214611267 1164307109 /nfs/dbraw/zinc/30/71/09/1164307109.db2.gz XDSWEQUOCUVHEO-OAGGEKHMSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CCOCC[NH+]1CCCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001197708119 1164410373 /nfs/dbraw/zinc/41/03/73/1164410373.db2.gz WOOGUSKGMKBOIC-UHFFFAOYSA-N 2 0 297.443 1.065 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001342365072 1167485920 /nfs/dbraw/zinc/48/59/20/1167485920.db2.gz UTYURPLJXUHABB-JHJVBQTASA-N 2 0 253.390 1.304 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001713089822 1178362244 /nfs/dbraw/zinc/36/22/44/1178362244.db2.gz SPJHRFOQBJPVMS-HNNXBMFYSA-N 2 0 277.412 1.076 20 30 CDEDRP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001713508725 1178616714 /nfs/dbraw/zinc/61/67/14/1178616714.db2.gz PJOIIDLZDRWJTF-GJZGRUSLSA-N 2 0 281.444 1.729 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001752806993 1184918674 /nfs/dbraw/zinc/91/86/74/1184918674.db2.gz WLVKSDOOAZFRDR-JKSUJKDBSA-N 2 0 291.439 1.180 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001752811145 1184920531 /nfs/dbraw/zinc/92/05/31/1184920531.db2.gz HULCWWLZBPKXLU-MRXNPFEDSA-N 2 0 293.455 1.570 20 30 CDEDRP C=CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001752899174 1184955183 /nfs/dbraw/zinc/95/51/83/1184955183.db2.gz AEWLOKHYCKRSDF-TZMCWYRMSA-N 2 0 290.411 1.424 20 30 CDEDRP C#CCC[N@@H+](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001753074495 1185041784 /nfs/dbraw/zinc/04/17/84/1185041784.db2.gz NHSGEIAZUNFCQP-UHFFFAOYSA-N 2 0 287.407 1.433 20 30 CDEDRP CC#CC[NH2+]CCN(C)C(=O)CCCC[NH+]1CCCC1 ZINC001753267068 1185137675 /nfs/dbraw/zinc/13/76/75/1185137675.db2.gz JPWZTTVLIXPPRH-UHFFFAOYSA-N 2 0 279.428 1.324 20 30 CDEDRP C=CC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001753302432 1185147563 /nfs/dbraw/zinc/14/75/63/1185147563.db2.gz BKQPPGBITUMQTO-MRXNPFEDSA-N 2 0 287.407 1.715 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001753441859 1185209053 /nfs/dbraw/zinc/20/90/53/1185209053.db2.gz QCPCMTGTGYDYCK-CQSZACIVSA-N 2 0 267.417 1.437 20 30 CDEDRP C=CCC[NH2+]C[C@](C)(NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001753528162 1185249253 /nfs/dbraw/zinc/24/92/53/1185249253.db2.gz LRCSLIAURIMVNW-PBHICJAKSA-N 2 0 293.455 1.779 20 30 CDEDRP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001753734669 1185322130 /nfs/dbraw/zinc/32/21/30/1185322130.db2.gz GQKVSGXUPYLOOA-JKSUJKDBSA-N 2 0 291.439 1.082 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001753896085 1185384608 /nfs/dbraw/zinc/38/46/08/1185384608.db2.gz SROHCXRNIAEVND-CABCVRRESA-N 2 0 291.439 1.226 20 30 CDEDRP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001753996792 1185422364 /nfs/dbraw/zinc/42/23/64/1185422364.db2.gz NBTXRSWVIZIFJD-CQSZACIVSA-N 2 0 281.444 1.779 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001755311705 1185910665 /nfs/dbraw/zinc/91/06/65/1185910665.db2.gz ULSWXEXRFYMJMZ-AWEZNQCLSA-N 2 0 281.444 1.873 20 30 CDEDRP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001755471702 1185960195 /nfs/dbraw/zinc/96/01/95/1185960195.db2.gz CUDSRUFBXMEVBE-KKUMJFAQSA-N 2 0 297.418 1.174 20 30 CDEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001755562667 1185992432 /nfs/dbraw/zinc/99/24/32/1185992432.db2.gz SNKOUDQPGSQFQO-XHSDSOJGSA-N 2 0 291.439 1.177 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001755761183 1186060018 /nfs/dbraw/zinc/06/00/18/1186060018.db2.gz CQTOFSLRRAZGHB-AWEZNQCLSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133965968 1163987197 /nfs/dbraw/zinc/98/71/97/1163987197.db2.gz RLEUBELTFUEZDW-AWEZNQCLSA-N 2 0 269.433 1.779 20 30 CDEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176191889 1164307228 /nfs/dbraw/zinc/30/72/28/1164307228.db2.gz BSFDDLRRTWFGFI-OAHLLOKOSA-N 2 0 293.455 1.923 20 30 CDEDRP CC1(C#N)CCC(NC(=[NH2+])NCCCC[NH3+])CC1 ZINC001173586028 912635312 /nfs/dbraw/zinc/63/53/12/912635312.db2.gz DUIOUHDOWGRCRT-UHFFFAOYSA-N 2 0 251.378 1.312 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176057505 913942117 /nfs/dbraw/zinc/94/21/17/913942117.db2.gz PHKJTKUOPHZMFV-KGLIPLIRSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106626810 914079278 /nfs/dbraw/zinc/07/92/78/914079278.db2.gz MCBIZWFDELCQNX-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176573299 914182993 /nfs/dbraw/zinc/18/29/93/914182993.db2.gz LQCYLLYJKWMUFO-HNNXBMFYSA-N 2 0 281.444 1.923 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001104621172 898798417 /nfs/dbraw/zinc/79/84/17/898798417.db2.gz BFYYXCASDQXVDZ-GDBMZVCRSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176997048 914424403 /nfs/dbraw/zinc/42/44/03/914424403.db2.gz GXOXXZKSUILOAQ-AWEZNQCLSA-N 2 0 267.417 1.389 20 30 CDEDRP N#CCc1cc(F)cc(NC(=[NH2+])NCCCC[NH3+])c1 ZINC001167883219 901640378 /nfs/dbraw/zinc/64/03/78/901640378.db2.gz DMCTYDRTPUENIE-UHFFFAOYSA-N 2 0 263.320 1.567 20 30 CDEDRP COc1ccc(NC(=[NH2+])SCC[NH3+])c(CC#N)c1 ZINC001167911722 902105565 /nfs/dbraw/zinc/10/55/65/902105565.db2.gz FPVYPWLSQRMERO-UHFFFAOYSA-N 2 0 264.354 1.800 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H]1CC ZINC001087725638 905795140 /nfs/dbraw/zinc/79/51/40/905795140.db2.gz XRDRCNAPAAYKFU-QLFBSQMISA-N 2 0 277.412 1.073 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188985207 921247659 /nfs/dbraw/zinc/24/76/59/921247659.db2.gz AEVNQPSPQRLARG-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189135469 921331515 /nfs/dbraw/zinc/33/15/15/921331515.db2.gz NNKIMQREZOOVGY-LSDHHAIUSA-N 2 0 291.439 1.130 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093133462 909644258 /nfs/dbraw/zinc/64/42/58/909644258.db2.gz GOBCVINFLVZJIE-HUUCEWRRSA-N 2 0 291.439 1.342 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001189898046 921741634 /nfs/dbraw/zinc/74/16/34/921741634.db2.gz BXXNEJGTDLMBPZ-UONOGXRCSA-N 2 0 265.401 1.047 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001178634619 915541706 /nfs/dbraw/zinc/54/17/06/915541706.db2.gz ZPXYSFAJORNVGT-MRXNPFEDSA-N 2 0 293.455 1.760 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001179592813 915890501 /nfs/dbraw/zinc/89/05/01/915890501.db2.gz PSYHYKXRZDBGQC-UHFFFAOYSA-N 2 0 295.471 1.864 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001107028131 917832809 /nfs/dbraw/zinc/83/28/09/917832809.db2.gz QYTVFMJADCQSTQ-HZPDHXFCSA-N 2 0 291.439 1.180 20 30 CDEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001182485618 917935609 /nfs/dbraw/zinc/93/56/09/917935609.db2.gz DRRKQHIRDFJESA-GDBMZVCRSA-N 2 0 281.444 1.588 20 30 CDEDRP C#CC[NH+]1CC[C@@]2(CNC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001107598581 918473591 /nfs/dbraw/zinc/47/35/91/918473591.db2.gz LCUKBYLNTZZFHW-NVXWUHKLSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001168666920 920094480 /nfs/dbraw/zinc/09/44/80/920094480.db2.gz NBXHEJKZGFRLLI-AWEZNQCLSA-N 2 0 269.433 1.635 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001187135531 920379209 /nfs/dbraw/zinc/37/92/09/920379209.db2.gz SLTPWNGDIKFWTI-CYBMUJFWSA-N 2 0 288.395 1.528 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001188099731 920832992 /nfs/dbraw/zinc/83/29/92/920832992.db2.gz NBNWHQQBCMBNIT-OAHLLOKOSA-N 2 0 277.412 1.076 20 30 CDEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190645031 922121459 /nfs/dbraw/zinc/12/14/59/922121459.db2.gz PKGYALFRTSBWKI-CQSZACIVSA-N 2 0 277.412 1.027 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192948955 923334200 /nfs/dbraw/zinc/33/42/00/923334200.db2.gz YZJSLFDUNFVPJJ-AWEZNQCLSA-N 2 0 267.417 1.437 20 30 CDEDRP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001079843677 924436454 /nfs/dbraw/zinc/43/64/54/924436454.db2.gz DQOALCCMTNRNST-BZUAXINKSA-N 2 0 293.455 1.587 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)[C@@H]2C1 ZINC001084852456 925458683 /nfs/dbraw/zinc/45/86/83/925458683.db2.gz AEDRPBVVNQJQRN-BZUAXINKSA-N 2 0 291.439 1.580 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CCc2ncc[nH]2)[C@H](C)C1 ZINC001101926572 937028597 /nfs/dbraw/zinc/02/85/97/937028597.db2.gz FJHNJELXZJDXFD-ZIAGYGMSSA-N 2 0 290.411 1.603 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085203772 925797834 /nfs/dbraw/zinc/79/78/34/925797834.db2.gz ASEFEMARLWWURW-KBUPBQIOSA-N 2 0 279.428 1.530 20 30 CDEDRP C[NH+]1CCN(c2cc(Nc3cncc(C#N)c3)cc[nH+]2)CC1 ZINC001201651191 926375133 /nfs/dbraw/zinc/37/51/33/926375133.db2.gz OUDCYICMDBAMSB-UHFFFAOYSA-N 2 0 294.362 1.844 20 30 CDEDRP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001103755571 937154328 /nfs/dbraw/zinc/15/43/28/937154328.db2.gz LSUDFZRVHZSJKV-HZPDHXFCSA-N 2 0 295.471 1.977 20 30 CDEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001103643788 937149244 /nfs/dbraw/zinc/14/92/44/937149244.db2.gz QGVOSRHDCFPIKC-BZUAXINKSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103655257 937150336 /nfs/dbraw/zinc/15/03/36/937150336.db2.gz XDWPVBHLWXWVKR-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110664792 928004913 /nfs/dbraw/zinc/00/49/13/928004913.db2.gz YFXFWRCIILGOEE-KFWWJZLASA-N 2 0 291.439 1.768 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+](CC)CC)C2 ZINC001108785978 928630865 /nfs/dbraw/zinc/63/08/65/928630865.db2.gz SBEQDHXWDWHAGV-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CC)C2 ZINC001108790831 928636066 /nfs/dbraw/zinc/63/60/66/928636066.db2.gz KGGUMNHSTUMOIO-XHSDSOJGSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109648856 929000585 /nfs/dbraw/zinc/00/05/85/929000585.db2.gz GGRYESVOYKIEEY-RDBSUJKOSA-N 2 0 277.412 1.236 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152237528 937346657 /nfs/dbraw/zinc/34/66/57/937346657.db2.gz OOQPQYMHNYSHGZ-UHFFFAOYSA-N 2 0 295.814 1.820 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001152458192 937361989 /nfs/dbraw/zinc/36/19/89/937361989.db2.gz MMHQJXZZHNJQIB-ZDUSSCGKSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181053 930086799 /nfs/dbraw/zinc/08/67/99/930086799.db2.gz LONHQWFGBFBEEJ-UONOGXRCSA-N 2 0 281.444 1.920 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135308081 930139397 /nfs/dbraw/zinc/13/93/97/930139397.db2.gz NURVFMXTILYWKH-QWHCGFSZSA-N 2 0 255.406 1.387 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001170819285 930245725 /nfs/dbraw/zinc/24/57/25/930245725.db2.gz JAWFKIMPGVOGOT-QGZVFWFLSA-N 2 0 287.407 1.193 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135882981 930502863 /nfs/dbraw/zinc/50/28/63/930502863.db2.gz WVKLTKHRTSZMDE-OLZOCXBDSA-N 2 0 255.406 1.387 20 30 CDEDRP C[Si](C)(C)C#Cc1ccnc(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001159789336 930857472 /nfs/dbraw/zinc/85/74/72/930857472.db2.gz TUMCXIWQSYGSSR-CYBMUJFWSA-N 2 0 276.460 1.746 20 30 CDEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCCNCCC[NH3+] ZINC001246451596 931496049 /nfs/dbraw/zinc/49/60/49/931496049.db2.gz HWIYSINJGNHQKU-AWEZNQCLSA-N 2 0 274.412 1.407 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154174975 937513321 /nfs/dbraw/zinc/51/33/21/937513321.db2.gz ZCJMGXAUBPAGLY-CYBMUJFWSA-N 2 0 284.363 1.408 20 30 CDEDRP N#CC1CCC([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)CC1 ZINC001246557889 931769213 /nfs/dbraw/zinc/76/92/13/931769213.db2.gz IWNYZNQCWCDNTE-JXQTWKCFSA-N 2 0 251.374 1.244 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171225938 932036914 /nfs/dbraw/zinc/03/69/14/932036914.db2.gz BQTRAPZHNFHNJD-LSDHHAIUSA-N 2 0 281.444 1.779 20 30 CDEDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(C#N)cc1)C2 ZINC001275829102 932073217 /nfs/dbraw/zinc/07/32/17/932073217.db2.gz PZBYPVVUSFHHCH-MSOLQXFVSA-N 2 0 298.434 1.626 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898918 937601489 /nfs/dbraw/zinc/60/14/89/937601489.db2.gz XDRLRARXIWHMNE-CQSZACIVSA-N 2 0 281.444 1.731 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155262880 937655409 /nfs/dbraw/zinc/65/54/09/937655409.db2.gz JOLBTBPDYRQDMU-OAHLLOKOSA-N 2 0 295.471 1.814 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155811302 937676445 /nfs/dbraw/zinc/67/64/45/937676445.db2.gz HQZWYTUJSTYNOD-CYBMUJFWSA-N 2 0 253.390 1.143 20 30 CDEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120423923 937798798 /nfs/dbraw/zinc/79/87/98/937798798.db2.gz XVVLHHLFTFBWJD-CVEARBPZSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CCOCCOCC[NH2+]C1CC[NH+](CCC)CC1 ZINC001258769483 935261848 /nfs/dbraw/zinc/26/18/48/935261848.db2.gz PRKFPKDMDIWVPD-UHFFFAOYSA-N 2 0 268.401 1.117 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158037190 938577779 /nfs/dbraw/zinc/57/77/79/938577779.db2.gz HSQBIFKMJGDPTH-HUUCEWRRSA-N 2 0 279.428 1.533 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158186428 938592382 /nfs/dbraw/zinc/59/23/82/938592382.db2.gz HAMIEVBVMNNTFE-OWYJLGKBSA-N 2 0 265.401 1.400 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001161649302 938916850 /nfs/dbraw/zinc/91/68/50/938916850.db2.gz BQTBZKICBLAPJV-CQSZACIVSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CC[N@H+]1CC=C(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001161733647 938928016 /nfs/dbraw/zinc/92/80/16/938928016.db2.gz HJNSJKPZIJHRJN-UHFFFAOYSA-N 2 0 291.439 1.490 20 30 CDEDRP CN(C)/C=[NH+]/c1ccc(-n2nccc2C[NH3+])cc1C#N ZINC001162598346 939099870 /nfs/dbraw/zinc/09/98/70/939099870.db2.gz UTIAIEMFORSKEU-LICLKQGHSA-N 2 0 268.324 1.424 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001165569231 939570592 /nfs/dbraw/zinc/57/05/92/939570592.db2.gz SSRSEEHHFBMCRL-OAHLLOKOSA-N 2 0 291.439 1.370 20 30 CDEDRP N#Cc1ccc2cc(C[N@H+]3CCC[C@@](O)(C[NH3+])CC3)[nH]c2c1 ZINC001205256535 939843380 /nfs/dbraw/zinc/84/33/80/939843380.db2.gz PGNVCGMZGNBGBB-KRWDZBQOSA-N 2 0 298.390 1.715 20 30 CDEDRP N#Cc1c2c(cnc1C1=CCC[NH2+]CC1)C[NH2+]CCC2 ZINC001238933717 945279341 /nfs/dbraw/zinc/27/93/41/945279341.db2.gz MQXMLGBESCRHLE-UHFFFAOYSA-N 2 0 268.364 1.756 20 30 CDEDRP C[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)CCC[C@H]1C[NH3+] ZINC001206025993 939968992 /nfs/dbraw/zinc/96/89/92/939968992.db2.gz QHQHREGSSOTCSU-OCCSQVGLSA-N 2 0 258.369 1.760 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001206274480 940010122 /nfs/dbraw/zinc/01/01/22/940010122.db2.gz IHUIDKDUZUJXNG-HNNXBMFYSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207547472 940214920 /nfs/dbraw/zinc/21/49/20/940214920.db2.gz YBETZLZKDDPJJF-ZIAGYGMSSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207653062 940227030 /nfs/dbraw/zinc/22/70/30/940227030.db2.gz WBNHDOQUJATAFL-KFWWJZLASA-N 2 0 281.444 1.585 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208749504 940381835 /nfs/dbraw/zinc/38/18/35/940381835.db2.gz RQQZTNDBEPIEIK-HNNXBMFYSA-N 2 0 291.439 1.465 20 30 CDEDRP Cn1cc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1C#N ZINC001276608836 940425095 /nfs/dbraw/zinc/42/50/95/940425095.db2.gz WRPHNSUZOYSNIR-GASCZTMLSA-N 2 0 272.396 1.670 20 30 CDEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210494861 940694637 /nfs/dbraw/zinc/69/46/37/940694637.db2.gz YFUJPZTXSOBPKE-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214754764 940838111 /nfs/dbraw/zinc/83/81/11/940838111.db2.gz GIVTVCUTFLTTGP-RBSFLKMASA-N 2 0 299.434 1.679 20 30 CDEDRP C=C1CC[NH2+]C[C@H]1Oc1ccccc1N1CC[NH2+]CC1 ZINC001218208990 941044409 /nfs/dbraw/zinc/04/44/09/941044409.db2.gz SGIBGQJWGLJJQT-MRXNPFEDSA-N 2 0 273.380 1.393 20 30 CDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc2c(n1)CC[NH2+]CC2 ZINC001218452186 941219945 /nfs/dbraw/zinc/21/99/45/941219945.db2.gz QTQAIFDZADODRK-HZPDHXFCSA-N 2 0 287.407 1.845 20 30 CDEDRP C[C@@H](C#N)c1ccc(NC(=O)[C@H]([NH3+])CCC[NH3+])cc1 ZINC001218871981 941281908 /nfs/dbraw/zinc/28/19/08/941281908.db2.gz ZAXFKRVYXULQLB-GXFFZTMASA-N 2 0 260.341 1.318 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777514 941385759 /nfs/dbraw/zinc/38/57/59/941385759.db2.gz KKTXTZRSSBBDFK-UHFFFAOYSA-N 2 0 277.412 1.287 20 30 CDEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCCCCC#N ZINC001220191510 941422239 /nfs/dbraw/zinc/42/22/39/941422239.db2.gz KADPNCAZHMIWER-ZDUSSCGKSA-N 2 0 268.405 1.292 20 30 CDEDRP C=CCOc1ccccc1[C@H](C)NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220664028 941462318 /nfs/dbraw/zinc/46/23/18/941462318.db2.gz UPSLPAJCNQVEDC-JSGCOSHPSA-N 2 0 291.395 1.495 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001224402482 941749371 /nfs/dbraw/zinc/74/93/71/941749371.db2.gz JNAVZNCOWUAKFW-MRXNPFEDSA-N 2 0 293.455 1.424 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001225557111 941879122 /nfs/dbraw/zinc/87/91/22/941879122.db2.gz GFHWSCJZOIMRQY-UHFFFAOYSA-N 2 0 293.455 1.877 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC001263098697 943743171 /nfs/dbraw/zinc/74/31/71/943743171.db2.gz LDYJVYUJRBFWGK-QWHCGFSZSA-N 2 0 255.406 1.517 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC001263149305 943764166 /nfs/dbraw/zinc/76/41/66/943764166.db2.gz APVGITATJLRIPK-HZSPNIEDSA-N 2 0 267.417 1.646 20 30 CDEDRP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC#N ZINC001277944858 944152893 /nfs/dbraw/zinc/15/28/93/944152893.db2.gz CLQNDIGGEGUMET-OKILXGFUSA-N 2 0 250.390 1.000 20 30 CDEDRP N#Cc1ccc(N2CCC[N@@H+](CCCC[NH3+])CC2)nc1 ZINC001235865250 944301409 /nfs/dbraw/zinc/30/14/09/944301409.db2.gz BJLYYYVUITWOMD-UHFFFAOYSA-N 2 0 273.384 1.204 20 30 CDEDRP N#Cc1cc(-c2ccc3c(n2)CC[NH2+]C3)cc(C2C[NH2+]C2)c1 ZINC001240337792 945795121 /nfs/dbraw/zinc/79/51/21/945795121.db2.gz UDJVTYUJXCSTRN-UHFFFAOYSA-N 2 0 290.370 1.953 20 30 CDEDRP C#CCCCCc1cn(CCCC[NH2+]CCC[NH3+])nn1 ZINC001254164684 947319478 /nfs/dbraw/zinc/31/94/78/947319478.db2.gz RSEJMDXBZKWGLD-UHFFFAOYSA-N 2 0 277.416 1.343 20 30 CDEDRP C[NH+]1CCC(C[NH+]2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC001254675083 947589672 /nfs/dbraw/zinc/58/96/72/947589672.db2.gz DXTGHVSSLXEHMB-IAGOWNOFSA-N 2 0 290.455 1.638 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001255294366 947814812 /nfs/dbraw/zinc/81/48/12/947814812.db2.gz IYDLAQFYUQEHHU-MRXNPFEDSA-N 2 0 295.496 1.784 20 30 CDEDRP C=CCCCCCC[C@H](O)C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001245985641 947880150 /nfs/dbraw/zinc/88/01/50/947880150.db2.gz RVXFUQIWLSOLMN-VVLHAWIVSA-N 2 0 296.455 1.698 20 30 CDEDRP CC[C@@H]1C[C@@H](NC(=[NH2+])c2ccc(C(=O)OC)cc2)CC[NH2+]1 ZINC001246302479 948091225 /nfs/dbraw/zinc/09/12/25/948091225.db2.gz ADDOKSAMVIIQKV-KGLIPLIRSA-N 2 0 289.379 1.709 20 30 CDEDRP COC(=O)c1ccc(C(=[NH2+])N[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246306360 948094489 /nfs/dbraw/zinc/09/44/89/948094489.db2.gz UAOQFULWUHCZKF-WDNDVIMCSA-N 2 0 287.363 1.462 20 30 CDEDRP C=CCC[C@H](C)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001246987597 948563912 /nfs/dbraw/zinc/56/39/12/948563912.db2.gz MRLHHZLBYGPCHZ-GJZGRUSLSA-N 2 0 253.434 1.957 20 30 CDEDRP C#CCOC[C@@H](O)C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001251848248 950864445 /nfs/dbraw/zinc/86/44/45/950864445.db2.gz XBBPBUWLQPRJBN-IRXDYDNUSA-N 2 0 294.439 1.338 20 30 CDEDRP C#CCOC[C@@H](O)C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001251887758 950918434 /nfs/dbraw/zinc/91/84/34/950918434.db2.gz IPSCROZTFYDWHB-GJZGRUSLSA-N 2 0 270.417 1.097 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001252499232 951379807 /nfs/dbraw/zinc/37/98/07/951379807.db2.gz XNHJHTWNYWEOMX-KFWWJZLASA-N 2 0 270.417 1.258 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001491833985 955459113 /nfs/dbraw/zinc/45/91/13/955459113.db2.gz XFDKRKGYGVOIKF-JKSUJKDBSA-N 2 0 295.471 1.977 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001368005254 958571660 /nfs/dbraw/zinc/57/16/60/958571660.db2.gz JMBWRGSURDZRAP-UHFFFAOYSA-N 2 0 297.830 1.606 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N(C)[C@@H](C)C[NH3+] ZINC001335263563 959671720 /nfs/dbraw/zinc/67/17/20/959671720.db2.gz IRDOQQZVBFDFTN-STQMWFEESA-N 2 0 257.422 1.870 20 30 CDEDRP C[NH+](C)CC#CC[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC001336770978 960567379 /nfs/dbraw/zinc/56/73/79/960567379.db2.gz NKQMNAMMGWJTNU-UHFFFAOYSA-N 2 0 295.333 1.448 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001340105868 962743626 /nfs/dbraw/zinc/74/36/26/962743626.db2.gz PDLFHBKUWIGAJH-GJZGRUSLSA-N 2 0 281.444 1.860 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC001340853569 963155759 /nfs/dbraw/zinc/15/57/59/963155759.db2.gz OCCWLWIGDXRSRA-DGCLKSJQSA-N 2 0 253.390 1.269 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)CC(C)C ZINC001340952395 963208334 /nfs/dbraw/zinc/20/83/34/963208334.db2.gz MLHLYUWXFMSVGX-CQSZACIVSA-N 2 0 269.433 1.716 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001341618347 963484854 /nfs/dbraw/zinc/48/48/54/963484854.db2.gz HTEMLKYXOYLKCY-JKSUJKDBSA-N 2 0 293.455 1.860 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001443986831 965698060 /nfs/dbraw/zinc/69/80/60/965698060.db2.gz QYXHCKMYSDMQNB-ZDUSSCGKSA-N 2 0 287.835 1.565 20 30 CDEDRP C=CCCC[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001100618628 968806787 /nfs/dbraw/zinc/80/67/87/968806787.db2.gz QNZCYGVAKQTROA-UHFFFAOYSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001100730754 969032765 /nfs/dbraw/zinc/03/27/65/969032765.db2.gz NWOKBNMHUGFREQ-QQFBHYJXSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001358025228 969680472 /nfs/dbraw/zinc/68/04/72/969680472.db2.gz YCMJXJRMBCVZTF-JKSUJKDBSA-N 2 0 287.407 1.501 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC001521424230 970295061 /nfs/dbraw/zinc/29/50/61/970295061.db2.gz AYGXYGJIKOXDBU-UONOGXRCSA-N 2 0 269.433 1.763 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001522325280 970420912 /nfs/dbraw/zinc/42/09/12/970420912.db2.gz CARCAQKSFBBYFD-OCCSQVGLSA-N 2 0 286.379 1.487 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001418348416 973758963 /nfs/dbraw/zinc/75/89/63/973758963.db2.gz ZRDGZJFXGAVXFN-CYBMUJFWSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132278863 1163226882 /nfs/dbraw/zinc/22/68/82/1163226882.db2.gz SCTLHRLQNNAUJF-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP N#CCN1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000591570696 342637298 /nfs/dbraw/zinc/63/72/98/342637298.db2.gz CETVTISEHIRTKD-GVDBMIGSSA-N 2 0 290.455 1.875 20 30 CDEDRP CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000598714697 343880929 /nfs/dbraw/zinc/88/09/29/343880929.db2.gz IPQQRVZEPIXYPJ-MJBXVCDLSA-N 2 0 265.401 1.504 20 30 CDEDRP C[C@H](CCC#N)C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000602546673 344462532 /nfs/dbraw/zinc/46/25/32/344462532.db2.gz WLYAEMYLTPQCHA-OAHLLOKOSA-N 2 0 280.460 1.789 20 30 CDEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](C)CCC#N)CC1 ZINC000602539507 344472361 /nfs/dbraw/zinc/47/23/61/344472361.db2.gz HLTMWBXQUNRWKH-HZPDHXFCSA-N 2 0 280.460 1.789 20 30 CDEDRP CN1CCC([N@@H+]2CC[C@@H](Nc3cccc(C#N)n3)C2)CC1 ZINC000611117614 346612922 /nfs/dbraw/zinc/61/29/22/346612922.db2.gz QZMVBCAMMOLASR-CQSZACIVSA-N 2 0 285.395 1.534 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](CC)CC2)CC1 ZINC000067233137 349017822 /nfs/dbraw/zinc/01/78/22/349017822.db2.gz AGBDTRMGGYRAJM-UHFFFAOYSA-N 2 0 291.439 1.180 20 30 CDEDRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cccc(C#N)n3)C2)CC1 ZINC000602549173 350123513 /nfs/dbraw/zinc/12/35/13/350123513.db2.gz SFPMSIOFEXXEMS-INIZCTEOSA-N 2 0 299.422 1.211 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1O ZINC000264121429 362971552 /nfs/dbraw/zinc/97/15/52/362971552.db2.gz RGRLOOLAWFVJMU-CYBMUJFWSA-N 2 0 276.384 1.281 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000165195916 363625499 /nfs/dbraw/zinc/62/54/99/363625499.db2.gz XIFYKZXVABRZTG-HZPDHXFCSA-N 2 0 293.455 1.801 20 30 CDEDRP C=CCN1CC[C@@H](N2CC[C@H](C[NH+](CC)CC)C2)C1=O ZINC000337172000 360007887 /nfs/dbraw/zinc/00/78/87/360007887.db2.gz GHQWXDXSXIMISY-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP N#Cc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000573371581 364045144 /nfs/dbraw/zinc/04/51/44/364045144.db2.gz SLYSTWLQCZNNSP-INIZCTEOSA-N 2 0 285.391 1.746 20 30 CDEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[NH+](C)C ZINC000170757034 368972988 /nfs/dbraw/zinc/97/29/88/368972988.db2.gz MDLVSPGLGQVYSK-UHFFFAOYSA-N 2 0 288.395 1.010 20 30 CDEDRP CCN(CCC#N)C(=O)CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000075860952 369469921 /nfs/dbraw/zinc/46/99/21/369469921.db2.gz LHUGMXBTYOVMPS-OAHLLOKOSA-N 2 0 294.443 1.555 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H]2CC)CC1 ZINC000568205731 371209603 /nfs/dbraw/zinc/20/96/03/371209603.db2.gz IEJHPANXAAVCTP-HNNXBMFYSA-N 2 0 294.443 1.372 20 30 CDEDRP C[C@H](C[NH2+]Cc1cc(C#N)cs1)N1CC[NH+](C)CC1 ZINC000177696856 372110047 /nfs/dbraw/zinc/11/00/47/372110047.db2.gz DIRMJVAOHDSYMU-GFCCVEGCSA-N 2 0 278.425 1.345 20 30 CDEDRP CC1CC[NH+](C[C@H](O)CNCc2cc(C#N)n(C)c2)CC1 ZINC000331108370 374890873 /nfs/dbraw/zinc/89/08/73/374890873.db2.gz RUAVRKPZJUWADI-MRXNPFEDSA-N 2 0 290.411 1.079 20 30 CDEDRP C=CCCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985541 376457798 /nfs/dbraw/zinc/45/77/98/376457798.db2.gz AAZZNZZSRUISQS-UHFFFAOYSA-N 2 0 260.341 1.396 20 30 CDEDRP C=CCCOCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987239 376539957 /nfs/dbraw/zinc/53/99/57/376539957.db2.gz DNXMFWXYKZDDMP-UHFFFAOYSA-N 2 0 290.367 1.022 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417534273 377876178 /nfs/dbraw/zinc/87/61/78/377876178.db2.gz VVZWDBTZFKKDMN-ZIAGYGMSSA-N 2 0 294.443 1.454 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)CCC[NH3+])CC1 ZINC000417539803 377917233 /nfs/dbraw/zinc/91/72/33/377917233.db2.gz OYTDEXXENVZPLC-CYBMUJFWSA-N 2 0 282.432 1.454 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cnc(C)s1 ZINC000104177938 390487095 /nfs/dbraw/zinc/48/70/95/390487095.db2.gz NWLIZCRYDZEADF-LLVKDONJSA-N 2 0 281.429 1.340 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])NCc1ccccc1OC ZINC000491451741 391132923 /nfs/dbraw/zinc/13/29/23/391132923.db2.gz HSWYACJBRFSUOO-UHFFFAOYSA-N 2 0 288.395 1.264 20 30 CDEDRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000192828375 391220347 /nfs/dbraw/zinc/22/03/47/391220347.db2.gz CSVQVHIHVZHBAG-IRXDYDNUSA-N 2 0 292.471 1.932 20 30 CDEDRP C=CCOCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000348033556 391413431 /nfs/dbraw/zinc/41/34/31/391413431.db2.gz MXEIZDBGYSOAQJ-CABCVRRESA-N 2 0 252.402 1.995 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H](C)C[NH3+])C(C)C ZINC000417067386 391342022 /nfs/dbraw/zinc/34/20/22/391342022.db2.gz RDTCSQFFIWROMM-HUUCEWRRSA-N 2 0 296.459 1.674 20 30 CDEDRP C=CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975799 391371331 /nfs/dbraw/zinc/37/13/31/391371331.db2.gz GBGDNSINEVTCBF-UONOGXRCSA-N 2 0 265.401 1.000 20 30 CDEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000350223751 391605983 /nfs/dbraw/zinc/60/59/83/391605983.db2.gz SRZGALXNJKEAGW-CABCVRRESA-N 2 0 297.443 1.110 20 30 CDEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000350223752 391606002 /nfs/dbraw/zinc/60/60/02/391606002.db2.gz SRZGALXNJKEAGW-GJZGRUSLSA-N 2 0 297.443 1.110 20 30 CDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647797978 391660354 /nfs/dbraw/zinc/66/03/54/391660354.db2.gz JBTFASUOBQJJHW-AHDPXTMNSA-N 2 0 250.386 1.698 20 30 CDEDRP C[NH+]=C(NCc1cccn1C)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261966495 391743502 /nfs/dbraw/zinc/74/35/02/391743502.db2.gz LOLDSJXSLNCQOO-HIFRSBDPSA-N 2 0 291.443 1.419 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCC2CCN(c3cc[nH+]cc3)CC2)N1 ZINC000262665296 391809316 /nfs/dbraw/zinc/80/93/16/391809316.db2.gz OKLFCWHOLNAKFW-GFCCVEGCSA-N 2 0 273.384 1.235 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000372424078 391852463 /nfs/dbraw/zinc/85/24/63/391852463.db2.gz BQAZARSJCPKQKV-CQSZACIVSA-N 2 0 265.401 1.285 20 30 CDEDRP C[C@H](CCNC1=[NH+]C[C@H](C)N1)[N@H+](C)Cc1ccccc1 ZINC000285041656 263089622 /nfs/dbraw/zinc/08/96/22/263089622.db2.gz KOABOAUQECMVDU-UONOGXRCSA-N 2 0 274.412 1.834 20 30 CDEDRP C#CC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377268869 268061982 /nfs/dbraw/zinc/06/19/82/268061982.db2.gz VECULZLFQFPSRD-UHFFFAOYSA-N 2 0 277.456 1.748 20 30 CDEDRP CNC(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)=[NH+]C ZINC000265193634 328070897 /nfs/dbraw/zinc/07/08/97/328070897.db2.gz SENVTYWLFMZSLN-CQSZACIVSA-N 2 0 260.385 1.446 20 30 CDEDRP CN(C)C(=[NH+]CCN1CCc2sccc2C1)N(C)C ZINC000262022971 328143662 /nfs/dbraw/zinc/14/36/62/328143662.db2.gz YNAVBFVWLKNRIL-UHFFFAOYSA-N 2 0 280.441 1.585 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@H](c1cccc(OC)c1)N(C)C ZINC000264149449 328157844 /nfs/dbraw/zinc/15/78/44/328157844.db2.gz YTEVAYYEUZVSSX-OAHLLOKOSA-N 2 0 290.411 1.778 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+](C)[C@H](C)CC)CC1 ZINC000171732638 329079422 /nfs/dbraw/zinc/07/94/22/329079422.db2.gz RCEBGIKYQINUIK-CQSZACIVSA-N 2 0 296.459 1.666 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[C@H](COC)C1 ZINC000262451645 330013919 /nfs/dbraw/zinc/01/39/19/330013919.db2.gz JZTIVFNTRMILJP-KBPBESRZSA-N 2 0 294.443 1.014 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCOC(C)(C)C1 ZINC000263026494 330039110 /nfs/dbraw/zinc/03/91/10/330039110.db2.gz ASMKNLQRFZTRDY-ZIAGYGMSSA-N 2 0 296.459 1.580 20 30 CDEDRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424132127 330264149 /nfs/dbraw/zinc/26/41/49/330264149.db2.gz KKLQZTVTPLXKCM-CABCVRRESA-N 2 0 294.443 1.778 20 30 CDEDRP C[NH+](C)C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424143135 330287014 /nfs/dbraw/zinc/28/70/14/330287014.db2.gz VZVNWVAMDJUHHW-HUUCEWRRSA-N 2 0 288.395 1.427 20 30 CDEDRP C=CCCC[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000451986382 331049451 /nfs/dbraw/zinc/04/94/51/331049451.db2.gz NFNMGVFPYRGUMZ-UHFFFAOYSA-N 2 0 253.434 1.958 20 30 CDEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCSCC#N)CC1 ZINC000451993908 331049629 /nfs/dbraw/zinc/04/96/29/331049629.db2.gz VGPZMAZYAJPQMN-UHFFFAOYSA-N 2 0 298.500 1.639 20 30 CDEDRP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001754502534 1159249530 /nfs/dbraw/zinc/24/95/30/1159249530.db2.gz KQXLLOGTVCKSLK-CQSZACIVSA-N 2 0 265.401 1.239 20 30 CDEDRP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000985656924 1160371283 /nfs/dbraw/zinc/37/12/83/1160371283.db2.gz ZVYAYLKRWOSLEX-GOEBONIOSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001113275467 1162146345 /nfs/dbraw/zinc/14/63/45/1162146345.db2.gz NSIJQQGTPMAYCO-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000334905631 526586359 /nfs/dbraw/zinc/58/63/59/526586359.db2.gz DBIONQKIHJOXCU-CYBMUJFWSA-N 2 0 280.416 1.030 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000334913263 526588732 /nfs/dbraw/zinc/58/87/32/526588732.db2.gz XLTZHJDQYRKTJY-TZMCWYRMSA-N 2 0 280.416 1.016 20 30 CDEDRP C[C@H](C#N)CN[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771557683 575590130 /nfs/dbraw/zinc/59/01/30/575590130.db2.gz KHUHXUZUCPEAGC-CQSZACIVSA-N 2 0 285.395 1.522 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000764437291 575907133 /nfs/dbraw/zinc/90/71/33/575907133.db2.gz KKCZIJGFKCBRPJ-GUTXKFCHSA-N 2 0 281.444 1.587 20 30 CDEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC000964034503 612954427 /nfs/dbraw/zinc/95/44/27/612954427.db2.gz FUTMQOXKDYJGLQ-LETWWHAPSA-N 2 0 289.423 1.121 20 30 CDEDRP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000981199161 612972604 /nfs/dbraw/zinc/97/26/04/612972604.db2.gz NZHRXTWREFJEML-LSDHHAIUSA-N 2 0 296.374 1.598 20 30 CDEDRP C#CCN1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000982151812 613153747 /nfs/dbraw/zinc/15/37/47/613153747.db2.gz NGYLQHIWLMSHEJ-HOTGVXAUSA-N 2 0 289.423 1.171 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000972354764 613290308 /nfs/dbraw/zinc/29/03/08/613290308.db2.gz ONVIDVQOQRNIFO-KBPBESRZSA-N 2 0 267.417 1.435 20 30 CDEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000969701651 613301620 /nfs/dbraw/zinc/30/16/20/613301620.db2.gz XNFRCRFATOKVHJ-GZBFAFLISA-N 2 0 279.428 1.339 20 30 CDEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000981666711 613305475 /nfs/dbraw/zinc/30/54/75/613305475.db2.gz ZFHKYBNGALZPDP-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=C(C)C[N@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000981872347 613307645 /nfs/dbraw/zinc/30/76/45/613307645.db2.gz IMGTWQRWTKKXBM-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000981456454 613310600 /nfs/dbraw/zinc/31/06/00/613310600.db2.gz BBVQAJBCCCPAHZ-OAHLLOKOSA-N 2 0 279.428 1.581 20 30 CDEDRP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975036490 613341575 /nfs/dbraw/zinc/34/15/75/613341575.db2.gz JAMGIPFCYJGDMJ-GJZGRUSLSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000970058268 613487052 /nfs/dbraw/zinc/48/70/52/613487052.db2.gz GQDPEFDOBGMBNT-ZDUSSCGKSA-N 2 0 298.390 1.961 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000948246127 613559303 /nfs/dbraw/zinc/55/93/03/613559303.db2.gz VSKYOIGKGAKSFM-JKSUJKDBSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000971678501 613630508 /nfs/dbraw/zinc/63/05/08/613630508.db2.gz NAIJJWBPYIGSKO-UONOGXRCSA-N 2 0 265.401 1.045 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000972154958 613632661 /nfs/dbraw/zinc/63/26/61/613632661.db2.gz RFJPIXRRSZYOOC-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000947684018 613780597 /nfs/dbraw/zinc/78/05/97/613780597.db2.gz FQSWMAXYAZVKHO-ZFWWWQNUSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC000946890425 613832764 /nfs/dbraw/zinc/83/27/64/613832764.db2.gz WRXZHGZUPWUQNA-XHSDSOJGSA-N 2 0 291.439 1.295 20 30 CDEDRP C=CC[NH2+]C1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000964184422 613859475 /nfs/dbraw/zinc/85/94/75/613859475.db2.gz CWWIWYFJKKYHLF-QQFBHYJXSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900604569 623282990 /nfs/dbraw/zinc/28/29/90/623282990.db2.gz CYNJCAOQTHHYDY-UHFFFAOYSA-N 2 0 277.412 1.239 20 30 CDEDRP C=CCNC(=O)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794226 626089301 /nfs/dbraw/zinc/08/93/01/626089301.db2.gz PVFJUUCHIOVJDH-UHFFFAOYSA-N 2 0 287.407 1.281 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000911760442 629505124 /nfs/dbraw/zinc/50/51/24/629505124.db2.gz BUYCGOLVFPJUQS-AWEZNQCLSA-N 2 0 277.368 1.646 20 30 CDEDRP CC(C)[C@H](C(=O)NCC#CC[NH+](C)C)[NH+]1CCCCC1 ZINC000913517729 630522043 /nfs/dbraw/zinc/52/20/43/630522043.db2.gz NJHKBWDSTMMTNH-OAHLLOKOSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296229 693880447 /nfs/dbraw/zinc/88/04/47/693880447.db2.gz RGJKZEMILRZFNB-HZPDHXFCSA-N 2 0 291.439 1.580 20 30 CDEDRP CC(C)CNC(=[NH2+])NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303792231 693881311 /nfs/dbraw/zinc/88/13/11/693881311.db2.gz YHYDRGNZIAGUKU-BETUJISGSA-N 2 0 270.421 1.046 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001018179303 693899049 /nfs/dbraw/zinc/89/90/49/693899049.db2.gz FCRBTBKTTZKQGD-HRCADAONSA-N 2 0 291.439 1.580 20 30 CDEDRP C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001024469561 694054398 /nfs/dbraw/zinc/05/43/98/694054398.db2.gz SVHCGFWEKOLHFM-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992478481 694065200 /nfs/dbraw/zinc/06/52/00/694065200.db2.gz PQMLCWRNUFMSCJ-IIAWOOMASA-N 2 0 277.412 1.237 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000870883405 694068945 /nfs/dbraw/zinc/06/89/45/694068945.db2.gz VPHGJIFYXAGDSL-BETUJISGSA-N 2 0 265.401 1.271 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC)[C@H](C)C2)CC1 ZINC001036308253 694178259 /nfs/dbraw/zinc/17/82/59/694178259.db2.gz DEEOCJRFUAKEOJ-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CCCCO1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261963872 688236238 /nfs/dbraw/zinc/23/62/38/688236238.db2.gz KZYRFOBVEGZJMO-AEGPPILISA-N 2 0 294.443 1.203 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010381538 688274228 /nfs/dbraw/zinc/27/42/28/688274228.db2.gz BDDTXYQUACXWPY-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001021091063 688401798 /nfs/dbraw/zinc/40/17/98/688401798.db2.gz RIXDFDLQKVBQAE-BIQWYFBQSA-N 2 0 279.428 1.672 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001027441140 688462071 /nfs/dbraw/zinc/46/20/71/688462071.db2.gz SEPUULRYCXDYGI-AWEZNQCLSA-N 2 0 277.412 1.027 20 30 CDEDRP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028116211 688509450 /nfs/dbraw/zinc/50/94/50/688509450.db2.gz DRICOAQIDHGPOZ-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP CC(C)CNC(=[NH2+])NCC[C@H](C)[NH+]1CCCCC1 ZINC000305835749 688565265 /nfs/dbraw/zinc/56/52/65/688565265.db2.gz WPJSNCMCCHNVLC-ZDUSSCGKSA-N 2 0 254.422 1.811 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001032433041 688587980 /nfs/dbraw/zinc/58/79/80/688587980.db2.gz HWXJTSRNOCPMFU-JYJNAYRXSA-N 2 0 291.439 1.722 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CN[C@H]1C[NH2+]CCOC1)C(C)C ZINC000925538706 688811555 /nfs/dbraw/zinc/81/15/55/688811555.db2.gz WCWSJTFWFYAIDB-HOTGVXAUSA-N 2 0 281.444 1.263 20 30 CDEDRP CC#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001027879826 688830558 /nfs/dbraw/zinc/83/05/58/688830558.db2.gz ZARFWSJCNRFMBC-HZPDHXFCSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]C(C)C)[C@H]2C)CC1 ZINC000987567726 688832760 /nfs/dbraw/zinc/83/27/60/688832760.db2.gz GHLPORAYJFCVFO-GDBMZVCRSA-N 2 0 291.439 1.319 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033197216 688895711 /nfs/dbraw/zinc/89/57/11/688895711.db2.gz HKKLSYDHVAUZQF-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001007632843 694290779 /nfs/dbraw/zinc/29/07/79/694290779.db2.gz BYDVGBBGUKQANW-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033154306 694347059 /nfs/dbraw/zinc/34/70/59/694347059.db2.gz ZPMJQEFMSBZGDH-JKSUJKDBSA-N 2 0 291.439 1.415 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033416731 694410746 /nfs/dbraw/zinc/41/07/46/694410746.db2.gz QZZVNBBLCFXFMD-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC000989829299 694412157 /nfs/dbraw/zinc/41/21/57/694412157.db2.gz RAUOYTDPMNZOJD-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001036113941 694436439 /nfs/dbraw/zinc/43/64/39/694436439.db2.gz VUFIBDZYLCKQNT-BBRMVZONSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001027650222 694488988 /nfs/dbraw/zinc/48/89/88/694488988.db2.gz CQFJMNMTXKISMD-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP CC(C)C[C@@H](CNC(=[NH2+])NC(C)C)[NH+]1CCCC1 ZINC000104160625 692193388 /nfs/dbraw/zinc/19/33/88/692193388.db2.gz JWPKLZVNXUPLAD-ZDUSSCGKSA-N 2 0 254.422 1.810 20 30 CDEDRP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049548108 692224409 /nfs/dbraw/zinc/22/44/09/692224409.db2.gz CEXNZKUEEWIEOO-OAGGEKHMSA-N 2 0 293.455 1.968 20 30 CDEDRP CC1CC[NH+](CCCNC(=[NH2+])NC(C)(C)C)CC1 ZINC000303788740 692227953 /nfs/dbraw/zinc/22/79/53/692227953.db2.gz UPHLKSMAOMPMPW-UHFFFAOYSA-N 2 0 254.422 1.811 20 30 CDEDRP C#CCN1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001032054858 692244422 /nfs/dbraw/zinc/24/44/22/692244422.db2.gz GTDWYOXSMUIRKR-UHFFFAOYSA-N 2 0 285.391 1.043 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033592462 692291368 /nfs/dbraw/zinc/29/13/68/692291368.db2.gz HKDJVNAAOJKOMW-AWEZNQCLSA-N 2 0 277.412 1.191 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001054853668 692292912 /nfs/dbraw/zinc/29/29/12/692292912.db2.gz IUJQQOGXMYZJQZ-KGLIPLIRSA-N 2 0 277.412 1.237 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031668470 692343623 /nfs/dbraw/zinc/34/36/23/692343623.db2.gz GZZBNRCAHOASNU-GJZGRUSLSA-N 2 0 277.412 1.095 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015706795 692344832 /nfs/dbraw/zinc/34/48/32/692344832.db2.gz YAKKBIFZCJRDCK-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001029004122 692362338 /nfs/dbraw/zinc/36/23/38/692362338.db2.gz TWFSAOSLPKEPGT-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CC1(C)C ZINC000995945183 692420087 /nfs/dbraw/zinc/42/00/87/692420087.db2.gz DPNHZZXNIYKKRL-CHWSQXEVSA-N 2 0 267.417 1.339 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001015705363 692470242 /nfs/dbraw/zinc/47/02/42/692470242.db2.gz JUZMKAQWTUZSHR-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052870183 692501935 /nfs/dbraw/zinc/50/19/35/692501935.db2.gz QSRTYZJNDCSYRX-HNNXBMFYSA-N 2 0 289.423 1.076 20 30 CDEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCSCC2)C1 ZINC000303906224 692670438 /nfs/dbraw/zinc/67/04/38/692670438.db2.gz ZUNBWNPENIINHW-LBPRGKRZSA-N 2 0 270.446 1.082 20 30 CDEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2 ZINC001035731886 692682681 /nfs/dbraw/zinc/68/26/81/692682681.db2.gz PYMPPGYVLFDZFT-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001015701079 692712444 /nfs/dbraw/zinc/71/24/44/692712444.db2.gz CQOIVEXYIYFRDD-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001001420580 692801601 /nfs/dbraw/zinc/80/16/01/692801601.db2.gz MSWZZIXEFLRZNU-JKSUJKDBSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001020174000 692833389 /nfs/dbraw/zinc/83/33/89/692833389.db2.gz PPKZHPOANBZXFI-XDQVBPFNSA-N 2 0 265.401 1.140 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000986824204 692863727 /nfs/dbraw/zinc/86/37/27/692863727.db2.gz KXYIXKHPTPPCIK-TZMCWYRMSA-N 2 0 265.401 1.093 20 30 CDEDRP C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001038446340 692933807 /nfs/dbraw/zinc/93/38/07/692933807.db2.gz ZKKRZHPOXHGJSR-CVEARBPZSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001076253629 692939048 /nfs/dbraw/zinc/93/90/48/692939048.db2.gz OTYKGSKJZAOWQK-MELADBBJSA-N 2 0 265.401 1.045 20 30 CDEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039470088 693008448 /nfs/dbraw/zinc/00/84/48/693008448.db2.gz PLKZCSBCUQWHFA-ZNMIVQPWSA-N 2 0 277.412 1.189 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000837175122 693018901 /nfs/dbraw/zinc/01/89/01/693018901.db2.gz ORYFCBYMHYHTFK-UHFFFAOYSA-N 2 0 253.390 1.095 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001031715697 693043602 /nfs/dbraw/zinc/04/36/02/693043602.db2.gz YELYEXMPQFYNOX-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001031806741 693059352 /nfs/dbraw/zinc/05/93/52/693059352.db2.gz MTGJRFPFJPBPIO-INIZCTEOSA-N 2 0 291.439 1.178 20 30 CDEDRP CCCCCCNC(=[NH2+])NCCN1CC[NH+](CC)CC1 ZINC000303879087 693098990 /nfs/dbraw/zinc/09/89/90/693098990.db2.gz GLJKLIJBLXQFRN-UHFFFAOYSA-N 2 0 283.464 1.109 20 30 CDEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001016544150 693122616 /nfs/dbraw/zinc/12/26/16/693122616.db2.gz UAPRMZSMMKBQOZ-LSDHHAIUSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001019070986 693134775 /nfs/dbraw/zinc/13/47/75/693134775.db2.gz NVHASXJKCKEFGU-ZDUSSCGKSA-N 2 0 282.347 1.080 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000104181386 693139191 /nfs/dbraw/zinc/13/91/91/693139191.db2.gz AQUFGGBXHNCQMZ-CYBMUJFWSA-N 2 0 252.406 1.587 20 30 CDEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001016544149 694578052 /nfs/dbraw/zinc/57/80/52/694578052.db2.gz UAPRMZSMMKBQOZ-HUUCEWRRSA-N 2 0 291.439 1.627 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NCCC[N@@H+]1CCCC[C@@H]1C ZINC000303781029 693198487 /nfs/dbraw/zinc/19/84/87/693198487.db2.gz LXWVXLXPSOCATI-OLZOCXBDSA-N 2 0 270.421 1.190 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032960636 693299521 /nfs/dbraw/zinc/29/95/21/693299521.db2.gz YBXMZIOSJWWITO-LSDHHAIUSA-N 2 0 279.428 1.580 20 30 CDEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995805151 693304300 /nfs/dbraw/zinc/30/43/00/693304300.db2.gz SVPIEWGIQOSZIA-CABCVRRESA-N 2 0 291.439 1.319 20 30 CDEDRP CN(C)C(NCc1ccccc1)=[NH+]CCC[NH+](C)C ZINC000303698760 693314651 /nfs/dbraw/zinc/31/46/51/693314651.db2.gz GNZZSNFDGUUFDH-UHFFFAOYSA-N 2 0 262.401 1.646 20 30 CDEDRP C[NH+]1CCC(C[NH2+]CCNc2ccc(C#N)cn2)CC1 ZINC000897395397 693359240 /nfs/dbraw/zinc/35/92/40/693359240.db2.gz CSXMVYIERSOAMA-UHFFFAOYSA-N 2 0 273.384 1.297 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000261975387 693331594 /nfs/dbraw/zinc/33/15/94/693331594.db2.gz FSCXXZAXOBTTGV-ZFWWWQNUSA-N 2 0 266.433 1.977 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000996996151 694640902 /nfs/dbraw/zinc/64/09/02/694640902.db2.gz VEZUOZVOEUTQPW-ZDUSSCGKSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CCN1CCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000923566547 693344433 /nfs/dbraw/zinc/34/44/33/693344433.db2.gz QKQOSISNXZKAOS-JKSUJKDBSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001049996344 693372194 /nfs/dbraw/zinc/37/21/94/693372194.db2.gz XPFLSQNVCXSSJT-HRCADAONSA-N 2 0 289.423 1.027 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(CC)CC1 ZINC000304802200 693394115 /nfs/dbraw/zinc/39/41/15/693394115.db2.gz PGVBJHZVMYKFQU-LBPRGKRZSA-N 2 0 252.406 1.565 20 30 CDEDRP C=CCCN1CC(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001030963767 693416341 /nfs/dbraw/zinc/41/63/41/693416341.db2.gz ADJHMGRJWWDCCU-UHFFFAOYSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001049721291 693428263 /nfs/dbraw/zinc/42/82/63/693428263.db2.gz ZRYLSWUPXILJKL-BZUAXINKSA-N 2 0 291.439 1.580 20 30 CDEDRP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001072991312 694828444 /nfs/dbraw/zinc/82/84/44/694828444.db2.gz RVPKIXMYKHWDGB-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001029001696 694625387 /nfs/dbraw/zinc/62/53/87/694625387.db2.gz BIYPBKAUTRAVBE-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024442792 694634735 /nfs/dbraw/zinc/63/47/35/694634735.db2.gz YEJDBCOGYOGDKO-HZPDHXFCSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CC[N@H+](C)CCCNc1cc[nH+]cc1C(F)(F)F ZINC000865833598 694701139 /nfs/dbraw/zinc/70/11/39/694701139.db2.gz FRDQORXWVWRJNU-UHFFFAOYSA-N 2 0 271.286 1.889 20 30 CDEDRP C[C@@H](C#N)OCCN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000815146525 694834656 /nfs/dbraw/zinc/83/46/56/694834656.db2.gz RCPBGKUGDFZEBA-KBPBESRZSA-N 2 0 251.374 1.333 20 30 CDEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC000992437900 694841766 /nfs/dbraw/zinc/84/17/66/694841766.db2.gz XZCWMGNCTIEZPG-YOEHRIQHSA-N 2 0 289.423 1.381 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000804523220 694847482 /nfs/dbraw/zinc/84/74/82/694847482.db2.gz MXQRMLXVGUGDHX-ZIAGYGMSSA-N 2 0 265.401 1.189 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC)[C@@H]2C)CC1 ZINC000994500953 694866047 /nfs/dbraw/zinc/86/60/47/694866047.db2.gz RVLPBQQPJZEQDG-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C[NH+]=C(NC[C@H](C1CC1)[NH+](C)C)N1CC[C@@]2(CCOC2)C1 ZINC000261947501 694873888 /nfs/dbraw/zinc/87/38/88/694873888.db2.gz GIBKOAZRSJZCGU-GDBMZVCRSA-N 2 0 294.443 1.014 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010381536 695080001 /nfs/dbraw/zinc/08/00/01/695080001.db2.gz BDDTXYQUACXWPY-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP COc1cccc(NC(=[NH2+])NCC[NH+]2CCCCC2)c1 ZINC000303791595 695096515 /nfs/dbraw/zinc/09/65/15/695096515.db2.gz XTHCWPCWMKTKCT-UHFFFAOYSA-N 2 0 276.384 1.908 20 30 CDEDRP C=CC[NH2+]CCNC(=O)c1ccccc1CC[NH+](C)C ZINC001131799274 1163056220 /nfs/dbraw/zinc/05/62/20/1163056220.db2.gz KZJQRLYXYZORRF-UHFFFAOYSA-N 2 0 275.396 1.296 20 30 CDEDRP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001755281062 1159819951 /nfs/dbraw/zinc/81/99/51/1159819951.db2.gz WNMWDOCMOJTGIJ-HNNXBMFYSA-N 2 0 293.455 1.588 20 30 CDEDRP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001753713130 1159891589 /nfs/dbraw/zinc/89/15/89/1159891589.db2.gz YVHCYXISSTVWAN-XJKSGUPXSA-N 2 0 297.418 1.269 20 30 CDEDRP C#CC[NH2+]CC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381766100 1160000753 /nfs/dbraw/zinc/00/07/53/1160000753.db2.gz NSJGHHHXPGWNPP-DOTOQJQBSA-N 2 0 299.418 1.236 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001086198384 1161966531 /nfs/dbraw/zinc/96/65/31/1161966531.db2.gz ROCGLWVESPRGSE-APIJFGDWSA-N 2 0 279.428 1.245 20 30 CDEDRP C=CCC[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132376778 1163261169 /nfs/dbraw/zinc/26/11/69/1163261169.db2.gz QSQWLZWNEVPYIH-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001566682829 1168387215 /nfs/dbraw/zinc/38/72/15/1168387215.db2.gz NJODEGNUUUHLLX-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001570472966 1170167984 /nfs/dbraw/zinc/16/79/84/1170167984.db2.gz TXRFYFHNRKJRGK-KBPBESRZSA-N 2 0 269.433 1.633 20 30 CDEDRP CC#CC[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001752789036 1184914237 /nfs/dbraw/zinc/91/42/37/1184914237.db2.gz WFEYCQRWWNIBLU-OAHLLOKOSA-N 2 0 279.428 1.180 20 30 CDEDRP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001752820248 1184922256 /nfs/dbraw/zinc/92/22/56/1184922256.db2.gz KTEZHEJGASEGMA-HNNXBMFYSA-N 2 0 281.444 1.875 20 30 CDEDRP CC#CC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001752850043 1184934415 /nfs/dbraw/zinc/93/44/15/1184934415.db2.gz IGJAHLGEYDCVDY-PRLABOORSA-N 2 0 291.439 1.367 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001753039539 1185006824 /nfs/dbraw/zinc/00/68/24/1185006824.db2.gz DVQINWIGXDXNFY-OAHLLOKOSA-N 2 0 279.428 1.629 20 30 CDEDRP C=C(C)C[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001753087758 1185051042 /nfs/dbraw/zinc/05/10/42/1185051042.db2.gz PWWNLMLMHGLKIJ-GJZGRUSLSA-N 2 0 281.444 1.731 20 30 CDEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001753111594 1185066126 /nfs/dbraw/zinc/06/61/26/1185066126.db2.gz LEATXTGQJTWDEN-LSDHHAIUSA-N 2 0 279.428 1.321 20 30 CDEDRP C#CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001753819078 1185343626 /nfs/dbraw/zinc/34/36/26/1185343626.db2.gz ZUMFKKFIISSRNR-GJZGRUSLSA-N 2 0 279.428 1.178 20 30 CDEDRP C=C(C)CC[N@@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001753854466 1185364228 /nfs/dbraw/zinc/36/42/28/1185364228.db2.gz LLGNECVMONALLU-UHFFFAOYSA-N 2 0 281.444 1.827 20 30 CDEDRP C=CCC[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001753875063 1185376348 /nfs/dbraw/zinc/37/63/48/1185376348.db2.gz DWMFFEMLHNDYKW-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001753970997 1185414298 /nfs/dbraw/zinc/41/42/98/1185414298.db2.gz PXHQQLLKHLOLFH-GFCCVEGCSA-N 2 0 253.390 1.141 20 30 CDEDRP C=C(C)C[NH2+]CCN(CC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001754067127 1185447400 /nfs/dbraw/zinc/44/74/00/1185447400.db2.gz KWXZHNWEGPYVAA-CQSZACIVSA-N 2 0 267.417 1.342 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CC ZINC001754471081 1185629878 /nfs/dbraw/zinc/62/98/78/1185629878.db2.gz VESYIQLSBMCILZ-HZPDHXFCSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CCC[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001754930604 1185764829 /nfs/dbraw/zinc/76/48/29/1185764829.db2.gz LMXVRIWYVAMLNF-AWEZNQCLSA-N 2 0 267.417 1.342 20 30 CDEDRP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C1CCC1 ZINC001755195745 1185848706 /nfs/dbraw/zinc/84/87/06/1185848706.db2.gz XKXBNTJPZISUGB-MRXNPFEDSA-N 2 0 291.439 1.417 20 30 CDEDRP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001755304250 1185904885 /nfs/dbraw/zinc/90/48/85/1185904885.db2.gz WERRVEAAIKNDNF-SOUVJXGZSA-N 2 0 279.428 1.177 20 30 CDEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001755618916 1186013904 /nfs/dbraw/zinc/01/39/04/1186013904.db2.gz PZKYFCFDTHXRIE-LSDHHAIUSA-N 2 0 279.428 1.321 20 30 CDEDRP CC[N@@H+]1CCC[C@@H](CNC(NCc2ccco2)=[NH+]C)C1 ZINC000303412408 1186569387 /nfs/dbraw/zinc/56/93/87/1186569387.db2.gz YDHFFICINAVLFZ-ZDUSSCGKSA-N 2 0 278.400 1.677 20 30 CDEDRP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001041410286 723179943 /nfs/dbraw/zinc/17/99/43/723179943.db2.gz XJALPCTUGZJKLC-DOTOQJQBSA-N 2 0 289.423 1.028 20 30 CDEDRP C#C[C@H](NCC[C@@H]1CCCC[N@H+]1C)[C@H]1CCCO1 ZINC000775789100 723187904 /nfs/dbraw/zinc/18/79/04/723187904.db2.gz BZPMUJCGIFYFQK-SOUVJXGZSA-N 2 0 250.386 1.631 20 30 CDEDRP CC(C)NC(=[NH2+])NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000303879655 723234020 /nfs/dbraw/zinc/23/40/20/723234020.db2.gz GSRVODHJKQEHGT-STQMWFEESA-N 2 0 254.422 1.667 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001032206069 723210760 /nfs/dbraw/zinc/21/07/60/723210760.db2.gz QTSSFODFXWXKAT-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001027332414 723212989 /nfs/dbraw/zinc/21/29/89/723212989.db2.gz OXGXSRVPKTVBMJ-KBPBESRZSA-N 2 0 299.846 1.756 20 30 CDEDRP COc1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000304763836 723223858 /nfs/dbraw/zinc/22/38/58/723223858.db2.gz XGBNRZKEQCJFPI-LBPRGKRZSA-N 2 0 276.384 1.764 20 30 CDEDRP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001028592396 723372865 /nfs/dbraw/zinc/37/28/65/723372865.db2.gz MDXIPDNRSPVTJR-CVEARBPZSA-N 2 0 293.455 1.588 20 30 CDEDRP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021737984 723376696 /nfs/dbraw/zinc/37/66/96/723376696.db2.gz XYORXXMFJNPYRJ-CVEARBPZSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001072752279 723412177 /nfs/dbraw/zinc/41/21/77/723412177.db2.gz CLSMZRYSTCSLDF-HUUCEWRRSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001007370194 723478728 /nfs/dbraw/zinc/47/87/28/723478728.db2.gz XGNMTXBBFFGSKD-HRCADAONSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001007370148 723516883 /nfs/dbraw/zinc/51/68/83/723516883.db2.gz WMRHQJWVXYCLQA-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001003776105 723561892 /nfs/dbraw/zinc/56/18/92/723561892.db2.gz IIEBZQCGSASGQO-JKSUJKDBSA-N 2 0 291.439 1.770 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001076465297 723547412 /nfs/dbraw/zinc/54/74/12/723547412.db2.gz BXFQMAODOZJZOW-LSDHHAIUSA-N 2 0 289.423 1.191 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001008538232 723669178 /nfs/dbraw/zinc/66/91/78/723669178.db2.gz GOCJZMNRCLFOLD-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C#CC1CC1 ZINC000837412576 723682452 /nfs/dbraw/zinc/68/24/52/723682452.db2.gz CNIHZIKSSVGVLN-UHFFFAOYSA-N 2 0 279.428 1.132 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009203805 723690227 /nfs/dbraw/zinc/69/02/27/723690227.db2.gz SMJSDHHQNOYWCC-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694052 723157159 /nfs/dbraw/zinc/15/71/59/723157159.db2.gz QDNSYLMAJXPVOS-INIZCTEOSA-N 2 0 293.455 1.971 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000303877530 723238812 /nfs/dbraw/zinc/23/88/12/723238812.db2.gz FLFMYWKHPSFJKJ-MCIONIFRSA-N 2 0 284.448 1.294 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076457449 723257700 /nfs/dbraw/zinc/25/77/00/723257700.db2.gz DKZDZTRIMSYLGR-SOUVJXGZSA-N 2 0 277.412 1.047 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH+]1CCC[C@@H](C)C1 ZINC000303878965 723464738 /nfs/dbraw/zinc/46/47/38/723464738.db2.gz GHDZJPQIKQWAKQ-CABCVRRESA-N 3 0 295.475 1.107 20 30 CDEDRP CCOCCCNC(=[NH2+])NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000303876084 723515844 /nfs/dbraw/zinc/51/58/44/723515844.db2.gz DPHLAKKYGVNHOW-CYBMUJFWSA-N 2 0 270.421 1.049 20 30 CDEDRP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001041405368 723593840 /nfs/dbraw/zinc/59/38/40/723593840.db2.gz BUIBCSHDUAABLL-NVXWUHKLSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046373587 723628526 /nfs/dbraw/zinc/62/85/26/723628526.db2.gz BHNKHXAGXXLYLJ-WBVHZDCISA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041378695 723640112 /nfs/dbraw/zinc/64/01/12/723640112.db2.gz KVQOHZUSEVIFIP-RDJZCZTQSA-N 2 0 291.439 1.130 20 30 CDEDRP NC(=[NH2+])N=NC1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000781124002 723674217 /nfs/dbraw/zinc/67/42/17/723674217.db2.gz RUTAEIUKYLVWOK-ZIAGYGMSSA-N 2 0 285.395 1.758 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000986568124 723675077 /nfs/dbraw/zinc/67/50/77/723675077.db2.gz UWPRULXKHCQUCE-DOMZBBRYSA-N 2 0 282.347 1.160 20 30 CDEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114409122 1164889703 /nfs/dbraw/zinc/88/97/03/1164889703.db2.gz GUXLDHMCHDKIPA-JJXSEGSLSA-N 2 0 291.439 1.339 20 30 CDEDRP C#CC[NH2+]CC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001574735897 1167638217 /nfs/dbraw/zinc/63/82/17/1167638217.db2.gz JCOUWHBYNQKGEK-UHFFFAOYSA-N 2 0 291.439 1.372 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127255716 913195947 /nfs/dbraw/zinc/19/59/47/913195947.db2.gz LBXQHEVDSVEXQJ-CHWSQXEVSA-N 2 0 285.819 1.319 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC001121957263 913293250 /nfs/dbraw/zinc/29/32/50/913293250.db2.gz RBYFWGZYWSMPJW-SOUVJXGZSA-N 2 0 279.428 1.613 20 30 CDEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001175048788 913442478 /nfs/dbraw/zinc/44/24/78/913442478.db2.gz KCQDVRKYCXRZCM-AWEZNQCLSA-N 2 0 269.433 1.779 20 30 CDEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001122177461 913505245 /nfs/dbraw/zinc/50/52/45/913505245.db2.gz CBBZILAYLLQPRV-UHFFFAOYSA-N 2 0 289.423 1.123 20 30 CDEDRP COc1cc(C#N)ccc1CN1CCC[C@H]([NH3+])CC1 ZINC001205109452 913671625 /nfs/dbraw/zinc/67/16/25/913671625.db2.gz GPQGTYLLFMNDJZ-AWEZNQCLSA-N 2 0 259.353 1.880 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001167093882 894436393 /nfs/dbraw/zinc/43/63/93/894436393.db2.gz UOCPWNPZBLYIAZ-SJORKVTESA-N 2 0 299.418 1.061 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001167260772 894987971 /nfs/dbraw/zinc/98/79/71/894987971.db2.gz JGMBVNJPIYJBTB-AWEZNQCLSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176574016 914184003 /nfs/dbraw/zinc/18/40/03/914184003.db2.gz QBXJROTYSKXBEC-CQSZACIVSA-N 2 0 267.417 1.533 20 30 CDEDRP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001024448462 898059842 /nfs/dbraw/zinc/05/98/42/898059842.db2.gz OBVVYNPCHCUBDN-HRCADAONSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001046834238 914354088 /nfs/dbraw/zinc/35/40/88/914354088.db2.gz PEOIOIKYPFNKQY-DZGCQCFKSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001176857673 914352279 /nfs/dbraw/zinc/35/22/79/914352279.db2.gz YMLUSULDNONBEX-KBPBESRZSA-N 2 0 267.417 1.531 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]12 ZINC001026420842 899873122 /nfs/dbraw/zinc/87/31/22/899873122.db2.gz LYAGDJDBHQALAY-OWCLPIDISA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001354130812 900347982 /nfs/dbraw/zinc/34/79/82/900347982.db2.gz FOQOXYSWQDOKSQ-CYBMUJFWSA-N 2 0 279.388 1.067 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001027576137 900612834 /nfs/dbraw/zinc/61/28/34/900612834.db2.gz KYXMYSARYBWBQM-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001167815680 901053218 /nfs/dbraw/zinc/05/32/18/901053218.db2.gz XWOYHSAVEQIHAF-UHFFFAOYSA-N 2 0 267.417 1.390 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207610200 901453379 /nfs/dbraw/zinc/45/33/79/901453379.db2.gz NYSJZVHXJRXKOV-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP COc1cc(NC(=[NH2+])NCCCC[NH3+])ccc1CC#N ZINC001167879252 901609683 /nfs/dbraw/zinc/60/96/83/901609683.db2.gz UYQHGDYNNWRVNM-UHFFFAOYSA-N 2 0 275.356 1.436 20 30 CDEDRP N#Cc1cnc(NC(=[NH2+])NCCCC[NH3+])c2sccc21 ZINC001167880984 901635093 /nfs/dbraw/zinc/63/50/93/901635093.db2.gz UVXASIARIGVYIQ-UHFFFAOYSA-N 2 0 288.380 1.843 20 30 CDEDRP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028321110 902216262 /nfs/dbraw/zinc/21/62/62/902216262.db2.gz ZZHLCMUMWGBCQZ-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP C[NH+]=C(NCCC1CC[NH+](C)CC1)NC[C@@H]1CCCS1 ZINC000261957139 904577084 /nfs/dbraw/zinc/57/70/84/904577084.db2.gz JCEYNUYZLOIJRG-AWEZNQCLSA-N 2 0 298.500 1.779 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001088010759 906124139 /nfs/dbraw/zinc/12/41/39/906124139.db2.gz JEBUEKSPNAKWPB-OWCLPIDISA-N 2 0 293.455 1.683 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001003161161 921298287 /nfs/dbraw/zinc/29/82/87/921298287.db2.gz WDLZGHJTOQSWLN-OAHLLOKOSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(Cl)CN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001088494139 907497311 /nfs/dbraw/zinc/49/73/11/907497311.db2.gz NIWCAGGSGQZMAQ-FRRDWIJNSA-N 2 0 285.819 1.412 20 30 CDEDRP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092507625 909438706 /nfs/dbraw/zinc/43/87/06/909438706.db2.gz JEIGFUQGDCNTQP-OAGGEKHMSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001088791413 909442927 /nfs/dbraw/zinc/44/29/27/909442927.db2.gz HQUCWHLMQCMSTC-KGLIPLIRSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001094936069 911857057 /nfs/dbraw/zinc/85/70/57/911857057.db2.gz VHLLSTFTANGYII-KKUMJFAQSA-N 2 0 289.423 1.073 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[NH+](CC)CC)[C@H]1C ZINC001179764259 915976897 /nfs/dbraw/zinc/97/68/97/915976897.db2.gz WHYRWNZCQBVDLK-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203360958 916107363 /nfs/dbraw/zinc/10/73/63/916107363.db2.gz ZUSDHISCLHUAHP-GJZGRUSLSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151057010 917357601 /nfs/dbraw/zinc/35/76/01/917357601.db2.gz PQCPKEVEUDVXQK-AWEZNQCLSA-N 2 0 267.417 1.390 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106983731 917627539 /nfs/dbraw/zinc/62/75/39/917627539.db2.gz HINZDPCKIPQKGV-HUUCEWRRSA-N 2 0 279.428 1.342 20 30 CDEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001182934130 918243535 /nfs/dbraw/zinc/24/35/35/918243535.db2.gz RBAZNZLHGSLIOB-NVXWUHKLSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001183221381 918366414 /nfs/dbraw/zinc/36/64/14/918366414.db2.gz FMLSOXDZIDWEFJ-NVXWUHKLSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997867362 919399860 /nfs/dbraw/zinc/39/98/60/919399860.db2.gz NQIZJKRAVIDOAR-GOEBONIOSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999374604 919743218 /nfs/dbraw/zinc/74/32/18/919743218.db2.gz RSSNOUWPZZGYPX-CABCVRRESA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999789402 919793502 /nfs/dbraw/zinc/79/35/02/919793502.db2.gz HDZFKXSSZDPLAZ-HZPDHXFCSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071873259 936693519 /nfs/dbraw/zinc/69/35/19/936693519.db2.gz UCYFYISEZUMGHH-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001072859141 936711433 /nfs/dbraw/zinc/71/14/33/936711433.db2.gz XNDLEYQMYBGNHA-HNNXBMFYSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190370277 921989946 /nfs/dbraw/zinc/98/99/46/921989946.db2.gz AZJZOXBKLVGJLP-JKSUJKDBSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001190675781 922132111 /nfs/dbraw/zinc/13/21/11/922132111.db2.gz WWNZWBNKFODJFW-INIZCTEOSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001099315569 936785563 /nfs/dbraw/zinc/78/55/63/936785563.db2.gz HOLTXBDBUPFPGI-HNNXBMFYSA-N 2 0 293.455 1.568 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001192907503 923315790 /nfs/dbraw/zinc/31/57/90/923315790.db2.gz WBKTYNUWYADNEK-INIZCTEOSA-N 2 0 293.455 1.664 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203102677 936829724 /nfs/dbraw/zinc/82/97/24/936829724.db2.gz IWKYDIOWRPFOSR-KGLIPLIRSA-N 2 0 293.455 1.920 20 30 CDEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193462078 923698563 /nfs/dbraw/zinc/69/85/63/923698563.db2.gz KMYPNZUCBSKWOM-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194072584 924053789 /nfs/dbraw/zinc/05/37/89/924053789.db2.gz RUQHLYZPGHTIHA-INIZCTEOSA-N 2 0 291.439 1.418 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203793337 924147804 /nfs/dbraw/zinc/14/78/04/924147804.db2.gz SBBJWYKXICIOQQ-LSDHHAIUSA-N 2 0 293.455 1.920 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203793700 924152837 /nfs/dbraw/zinc/15/28/37/924152837.db2.gz SUGKQRHCLCCQQM-LSDHHAIUSA-N 2 0 293.455 1.920 20 30 CDEDRP C#C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCO1 ZINC000839015528 936901453 /nfs/dbraw/zinc/90/14/53/936901453.db2.gz RVHSYLLMCNVPDU-SJORKVTESA-N 2 0 285.391 1.821 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079723857 924414788 /nfs/dbraw/zinc/41/47/88/924414788.db2.gz NONDHTOJGJNJRF-KBUPBQIOSA-N 2 0 279.428 1.339 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001080037329 924476593 /nfs/dbraw/zinc/47/65/93/924476593.db2.gz JZXBXPZXXGYQPG-HUUCEWRRSA-N 2 0 291.439 1.627 20 30 CDEDRP C#Cc1cccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205688327 924478270 /nfs/dbraw/zinc/47/82/70/924478270.db2.gz FUXJWYKAWCNRIN-INIZCTEOSA-N 2 0 258.365 1.344 20 30 CDEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001195283698 924529864 /nfs/dbraw/zinc/52/98/64/924529864.db2.gz GJXUCXSDESHQAE-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001080559132 924596373 /nfs/dbraw/zinc/59/63/73/924596373.db2.gz WOTRZVJVHMISMH-UKRRQHHQSA-N 2 0 279.428 1.341 20 30 CDEDRP C#CCN1C[C@@]2(CC1=O)CCCCN2CCC[NH+](C)C ZINC001273711604 924808214 /nfs/dbraw/zinc/80/82/14/924808214.db2.gz FZBHBDGTFKNKEE-INIZCTEOSA-N 2 0 277.412 1.028 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001165465040 925027874 /nfs/dbraw/zinc/02/78/74/925027874.db2.gz RFKLCVYKIMMOAG-UHFFFAOYSA-N 2 0 291.439 1.370 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001084662548 925328973 /nfs/dbraw/zinc/32/89/73/925328973.db2.gz OJPXGAPKGOPXTF-ARFHVFGLSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ncc[nH]1)C2 ZINC001110506443 925397097 /nfs/dbraw/zinc/39/70/97/925397097.db2.gz RITSHAPUODJEEC-MCIONIFRSA-N 2 0 288.395 1.640 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001084831137 925447845 /nfs/dbraw/zinc/44/78/45/925447845.db2.gz AFWYCATYBINNDM-HZPDHXFCSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001152485241 925488888 /nfs/dbraw/zinc/48/88/88/925488888.db2.gz HMAHNWAETXUCHG-HNNXBMFYSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086175315 926790587 /nfs/dbraw/zinc/79/05/87/926790587.db2.gz QQEZQIASNPIWJD-HRCADAONSA-N 2 0 291.439 1.226 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001103138427 937124601 /nfs/dbraw/zinc/12/46/01/937124601.db2.gz KYZBWCYPEXVQJU-RBSFLKMASA-N 2 0 281.444 1.587 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001086382134 927050761 /nfs/dbraw/zinc/05/07/61/927050761.db2.gz UYDHMPRWZMIXPY-KKUMJFAQSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CCOCC[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001161227351 937143153 /nfs/dbraw/zinc/14/31/53/937143153.db2.gz ZXQRDWAKNYNAHE-UHFFFAOYSA-N 2 0 285.432 1.015 20 30 CDEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103999985 937184422 /nfs/dbraw/zinc/18/44/22/937184422.db2.gz RDPIFWDHHDSQLT-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169531263 928153137 /nfs/dbraw/zinc/15/31/37/928153137.db2.gz OMIQPLHVHKPKPG-UHFFFAOYSA-N 2 0 297.443 1.159 20 30 CDEDRP C=CCC[NH+]1CCCO[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001150547207 937237354 /nfs/dbraw/zinc/23/73/54/937237354.db2.gz OTPVBHJPCIAKHX-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111858008 937244654 /nfs/dbraw/zinc/24/46/54/937244654.db2.gz JUAXTMUJZAGKJQ-RDJZCZTQSA-N 2 0 293.455 1.875 20 30 CDEDRP C[NH+](C)C1(C(=O)NCC[NH2+]CC#Cc2ccccc2)CCC1 ZINC001129351072 928546128 /nfs/dbraw/zinc/54/61/28/928546128.db2.gz JDSVFYRFUXGBMQ-UHFFFAOYSA-N 2 0 299.418 1.228 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001202502519 929105008 /nfs/dbraw/zinc/10/50/08/929105008.db2.gz DJXCBMMKCISWEY-DZGCQCFKSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152148790 937339069 /nfs/dbraw/zinc/33/90/69/937339069.db2.gz RIAWLTILVDXXJW-OKILXGFUSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152386506 937357800 /nfs/dbraw/zinc/35/78/00/937357800.db2.gz LNOONKIKMLWJHI-CHWSQXEVSA-N 2 0 253.390 1.093 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134892916 929947545 /nfs/dbraw/zinc/94/75/45/929947545.db2.gz QUQACKBYIOFXTA-KBPBESRZSA-N 2 0 298.390 1.844 20 30 CDEDRP C#CC[N@H+](C)CCCNCc1cn2cccc(F)c2n1 ZINC000883131154 930147720 /nfs/dbraw/zinc/14/77/20/930147720.db2.gz JXWGOPZKUMLAGB-UHFFFAOYSA-N 2 0 274.343 1.518 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135378889 930178901 /nfs/dbraw/zinc/17/89/01/930178901.db2.gz NHHFQIWYSHJJAF-NWDGAFQWSA-N 2 0 275.824 1.564 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135379585 930179089 /nfs/dbraw/zinc/17/90/89/930179089.db2.gz RHYZFKARSIGVQU-UONOGXRCSA-N 2 0 279.428 1.224 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001153819134 937473973 /nfs/dbraw/zinc/47/39/73/937473973.db2.gz PDGZHBDCDVQNCI-HZPDHXFCSA-N 2 0 293.455 1.709 20 30 CDEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]CCC[N@H+](C)CCO ZINC001171201390 931929759 /nfs/dbraw/zinc/92/97/59/931929759.db2.gz LLZHAUKOKVFREO-CQSZACIVSA-N 2 0 275.396 1.393 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146594859 932270572 /nfs/dbraw/zinc/27/05/72/932270572.db2.gz VQOUNNSAFUTSLA-OLZOCXBDSA-N 2 0 255.406 1.386 20 30 CDEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961266 933201442 /nfs/dbraw/zinc/20/14/42/933201442.db2.gz ZAQCSIFLXQGVHT-KFWWJZLASA-N 2 0 277.412 1.073 20 30 CDEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979793 933296589 /nfs/dbraw/zinc/29/65/89/933296589.db2.gz DKKBFORPANVSSS-MCIONIFRSA-N 2 0 265.401 1.236 20 30 CDEDRP C[C@@H](CC[NH2+]C[C@H](O)COc1ccc(C#N)cc1)[NH+](C)C ZINC001120580490 937813234 /nfs/dbraw/zinc/81/32/34/937813234.db2.gz AYGUQNXAQNZWQC-ZFWWWQNUSA-N 2 0 291.395 1.228 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015797082 935585999 /nfs/dbraw/zinc/58/59/99/935585999.db2.gz XBLPDEDNUCBWIH-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001019384227 935702517 /nfs/dbraw/zinc/70/25/17/935702517.db2.gz XOCAQHXHDOQDSC-XJKSGUPXSA-N 2 0 295.402 1.023 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001044857844 935872279 /nfs/dbraw/zinc/87/22/79/935872279.db2.gz OHLGFYCYFHAHOV-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001096012763 935880233 /nfs/dbraw/zinc/88/02/33/935880233.db2.gz YLPAFKNMLGDAFN-WCVJEAGWSA-N 2 0 289.423 1.216 20 30 CDEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001122242614 937915265 /nfs/dbraw/zinc/91/52/65/937915265.db2.gz LPACYGVTQYTUPZ-UHFFFAOYSA-N 2 0 293.455 1.920 20 30 CDEDRP CC#CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)CCC ZINC001156530071 938379649 /nfs/dbraw/zinc/37/96/49/938379649.db2.gz JSXXVEBCWBBMPL-CQSZACIVSA-N 2 0 267.417 1.178 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158403362 938618424 /nfs/dbraw/zinc/61/84/24/938618424.db2.gz GQPMXKRDSHMHMU-LSDHHAIUSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001160003579 938764685 /nfs/dbraw/zinc/76/46/85/938764685.db2.gz VTTSIDWRUUKRJD-UHFFFAOYSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160274218 938778862 /nfs/dbraw/zinc/77/88/62/938778862.db2.gz RCATYQALRVHTCT-CQSZACIVSA-N 2 0 267.417 1.533 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNc1ncc(C)c(C2C[NH2+]C2)n1 ZINC001160957533 938849743 /nfs/dbraw/zinc/84/97/43/938849743.db2.gz MSBUDHONGWCRDJ-AWEZNQCLSA-N 2 0 287.411 1.534 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001161643903 938916908 /nfs/dbraw/zinc/91/69/08/938916908.db2.gz DHPZJCDHVPWULA-OAHLLOKOSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163224735 939228936 /nfs/dbraw/zinc/22/89/36/939228936.db2.gz XXNSQFQPPLYKBL-CQSZACIVSA-N 2 0 265.401 1.143 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165794649 939577807 /nfs/dbraw/zinc/57/78/07/939577807.db2.gz ZQLKHYBNWSJPMJ-ZDUSSCGKSA-N 2 0 255.406 1.389 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001166439681 939608898 /nfs/dbraw/zinc/60/88/98/939608898.db2.gz KTMFMHPJAOVCBW-CQSZACIVSA-N 2 0 267.417 1.226 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001206281251 940011479 /nfs/dbraw/zinc/01/14/79/940011479.db2.gz GBONYOZNDJQOAB-ZFWWWQNUSA-N 2 0 279.428 1.198 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001206885536 940106905 /nfs/dbraw/zinc/10/69/05/940106905.db2.gz RZYCPQQODWRKOL-UHFFFAOYSA-N 2 0 293.455 1.570 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001208278782 940313857 /nfs/dbraw/zinc/31/38/57/940313857.db2.gz AIOVRGIDBRVYSS-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001208278876 940313871 /nfs/dbraw/zinc/31/38/71/940313871.db2.gz CDGOEYFJDKIMIH-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208435153 940331530 /nfs/dbraw/zinc/33/15/30/940331530.db2.gz VIXCSACTFVPBJD-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001208498843 940336078 /nfs/dbraw/zinc/33/60/78/940336078.db2.gz YCYYJNKKMXPDKL-HNNXBMFYSA-N 2 0 296.374 1.552 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@H]2C[C@H]2C)CC1 ZINC001209426943 940588869 /nfs/dbraw/zinc/58/88/69/940588869.db2.gz NISGBMKDOGSVEU-IAGOWNOFSA-N 2 0 277.456 1.934 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209635670 940621464 /nfs/dbraw/zinc/62/14/64/940621464.db2.gz SVKIZQDGSSACRS-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001209642477 940622093 /nfs/dbraw/zinc/62/20/93/940622093.db2.gz NPVLJDPIRYEMDI-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210229808 940673449 /nfs/dbraw/zinc/67/34/49/940673449.db2.gz SSBFKGYJIFQCPE-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929719 940788817 /nfs/dbraw/zinc/78/88/17/940788817.db2.gz INTCSTXRTIVLAO-HUUCEWRRSA-N 2 0 297.443 1.108 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453543 940887414 /nfs/dbraw/zinc/88/74/14/940887414.db2.gz HLRWKZTVHLXOAM-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[C@]1(C(=O)Nc2ccc([C@@H]3CC[NH2+]C3)cc2)CCC[NH2+]1 ZINC001218997174 941299312 /nfs/dbraw/zinc/29/93/12/941299312.db2.gz SPEFMTWIODAIJV-CRAIPNDOSA-N 2 0 297.402 1.848 20 30 CDEDRP N#Cc1c[nH]c2cc(NC(=O)[C@@H]([NH3+])CCC[NH3+])ccc12 ZINC001219044414 941302674 /nfs/dbraw/zinc/30/26/74/941302674.db2.gz DBRRADYRGCELAG-LBPRGKRZSA-N 2 0 271.324 1.044 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219769527 941384315 /nfs/dbraw/zinc/38/43/15/941384315.db2.gz YBJPBJLIJVPFAL-DZGCQCFKSA-N 2 0 285.407 1.658 20 30 CDEDRP C#C[C@](C)([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219940884 941398127 /nfs/dbraw/zinc/39/81/27/941398127.db2.gz HMPHEIQDPSAHMU-AEFFLSMTSA-N 2 0 299.418 1.365 20 30 CDEDRP C=CCOc1ccccc1[C@@H](C)NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220664030 941462562 /nfs/dbraw/zinc/46/25/62/941462562.db2.gz UPSLPAJCNQVEDC-TZMCWYRMSA-N 2 0 291.395 1.495 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH3+])c1 ZINC001220868814 941479592 /nfs/dbraw/zinc/47/95/92/941479592.db2.gz VGZPEFYIPSQWOH-HNNXBMFYSA-N 2 0 273.380 1.526 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001229715949 942515267 /nfs/dbraw/zinc/51/52/67/942515267.db2.gz CXNGLDFTAJFNHY-HUUCEWRRSA-N 2 0 289.423 1.123 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001230138214 942585891 /nfs/dbraw/zinc/58/58/91/942585891.db2.gz KMLAZOCJMJTSEK-ARFHVFGLSA-N 2 0 293.455 1.921 20 30 CDEDRP Cc1cc(C#N)ccc1CN(CC[NH+](C)C)CC[NH+](C)C ZINC001233080922 943488670 /nfs/dbraw/zinc/48/86/70/943488670.db2.gz GOIGXVRBJQLEMT-UHFFFAOYSA-N 2 0 288.439 1.792 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(CC[NH3+])CC(F)(F)F ZINC001263180303 943777228 /nfs/dbraw/zinc/77/72/28/943777228.db2.gz IXMSUZPGMUEUTH-SECBINFHSA-N 2 0 267.295 1.020 20 30 CDEDRP C=CC[NH2+]CCN1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237360396 944732791 /nfs/dbraw/zinc/73/27/91/944732791.db2.gz YJPZYBIZHUAIDX-UHFFFAOYSA-N 2 0 271.408 1.857 20 30 CDEDRP N#Cc1cc(-c2ccc3c(n2)C[NH2+]CC3)cc(C2C[NH2+]C2)c1 ZINC001240343766 945795363 /nfs/dbraw/zinc/79/53/63/945795363.db2.gz URUGQOGJQYFLGG-UHFFFAOYSA-N 2 0 290.370 1.953 20 30 CDEDRP CC[NH+](CC)CCN(CC[NH3+])[C@H]1CC[C@H](C#N)C1 ZINC001254644534 947567558 /nfs/dbraw/zinc/56/75/58/947567558.db2.gz YWORUGBOXBBLIR-KBPBESRZSA-N 2 0 252.406 1.281 20 30 CDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC001254646488 947569109 /nfs/dbraw/zinc/56/91/09/947569109.db2.gz BAPGPXJKMSKHJJ-JONQDZQNSA-N 2 0 277.412 1.912 20 30 CDEDRP N#C[C@@H]1CC[C@@H]([N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001254647382 947571032 /nfs/dbraw/zinc/57/10/32/947571032.db2.gz CKBXQYFPMKWHPD-AAVRWANBSA-N 2 0 263.385 1.649 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245983306 947877151 /nfs/dbraw/zinc/87/71/51/947877151.db2.gz VDMLEOGDWDMJRQ-KBPBESRZSA-N 2 0 268.401 1.062 20 30 CDEDRP C=CCCCCCC[C@@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246007222 947888047 /nfs/dbraw/zinc/88/80/47/947888047.db2.gz JGGVFPMZCOZITI-CABCVRRESA-N 2 0 299.459 1.446 20 30 CDEDRP C[C@@H](CCCC#N)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246146935 947989072 /nfs/dbraw/zinc/98/90/72/947989072.db2.gz OXXJVPBXTZMIDV-UONOGXRCSA-N 2 0 264.417 1.533 20 30 CDEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CC[NH2+][C@H](CC)C1 ZINC001246302633 948095294 /nfs/dbraw/zinc/09/52/94/948095294.db2.gz DQLKOHOEMOODLW-KFWWJZLASA-N 2 0 297.443 1.333 20 30 CDEDRP N#Cc1cccc(OCCC[NH2+]C2CC[NH2+]CC2)c1 ZINC001246329175 948108781 /nfs/dbraw/zinc/10/87/81/948108781.db2.gz OLRMYEPSLARAKN-UHFFFAOYSA-N 2 0 259.353 1.669 20 30 CDEDRP N#CCC1CCC([NH2+]CCCC[C@H]([NH3+])C(N)=O)CC1 ZINC001246403549 948156033 /nfs/dbraw/zinc/15/60/33/948156033.db2.gz FYCHIEWXPCGDIM-BPCQOVAHSA-N 2 0 266.389 1.031 20 30 CDEDRP N#CCC1CCC([N@@H+]2CCC[C@](O)(C[NH3+])CC2)CC1 ZINC001246547350 948254228 /nfs/dbraw/zinc/25/42/28/948254228.db2.gz CPTICROSONIEIC-YMAMQOFZSA-N 2 0 265.401 1.635 20 30 CDEDRP N#Cc1ccc(C2CCC([N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)CC2)cc1 ZINC001246580110 948304951 /nfs/dbraw/zinc/30/49/51/948304951.db2.gz KSYYFZNZUVUIPV-IKJBURDNSA-N 2 0 299.418 1.836 20 30 CDEDRP C[C@H]1C[C@@H]([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC[NH2+]1 ZINC001246836775 948467573 /nfs/dbraw/zinc/46/75/73/948467573.db2.gz MQMFQDRTBBDOQY-HOCLYGCPSA-N 2 0 299.422 1.606 20 30 CDEDRP C=CCOC1CCC([N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246852849 948477592 /nfs/dbraw/zinc/47/75/92/948477592.db2.gz KYSOYAQDIBMWSG-URGYJCLVSA-N 2 0 250.386 1.923 20 30 CDEDRP C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246909265 948513525 /nfs/dbraw/zinc/51/35/25/948513525.db2.gz OKOCWRJYZLGSIV-HNNXBMFYSA-N 2 0 270.380 1.084 20 30 CDEDRP C=C[C@](C)(O)C[NH2+]CC1CC[NH+](Cc2ccccn2)CC1 ZINC001252580648 951473734 /nfs/dbraw/zinc/47/37/34/951473734.db2.gz SPNPWLZNGAFJLW-KRWDZBQOSA-N 2 0 289.423 1.820 20 30 CDEDRP C=C[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001253564933 951956043 /nfs/dbraw/zinc/95/60/43/951956043.db2.gz KGPFOERKMVLLMX-MRXNPFEDSA-N 2 0 260.381 1.919 20 30 CDEDRP C=CCCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001316947067 957144477 /nfs/dbraw/zinc/14/44/77/957144477.db2.gz GYHZACGCKSBSAJ-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001367757217 958307727 /nfs/dbraw/zinc/30/77/27/958307727.db2.gz OORCQAWUWHQTHO-LBPRGKRZSA-N 2 0 287.835 1.565 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC001340056709 962715286 /nfs/dbraw/zinc/71/52/86/962715286.db2.gz OPMFDBKISTXIDQ-KGLIPLIRSA-N 2 0 267.417 1.517 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)C1CC[NH+](CC)CC1 ZINC001340792751 963130238 /nfs/dbraw/zinc/13/02/38/963130238.db2.gz YGPRGPKFXHNYFR-AWEZNQCLSA-N 2 0 267.417 1.613 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1[C@H](C)C[NH2+][C@H](C)[C@@H]1C ZINC001341764849 963534569 /nfs/dbraw/zinc/53/45/69/963534569.db2.gz KSDXHIWVKLXGGV-NDBYEHHHSA-N 2 0 253.390 1.267 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001342308880 963705708 /nfs/dbraw/zinc/70/57/08/963705708.db2.gz ZQCUGKQTSXYJMA-IHRRRGAJSA-N 2 0 269.433 1.918 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC001353468492 967999566 /nfs/dbraw/zinc/99/95/66/967999566.db2.gz DNBNIIAQNSVHOW-KBPBESRZSA-N 2 0 267.417 1.613 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001353494469 968017206 /nfs/dbraw/zinc/01/72/06/968017206.db2.gz DRWHDJUUFHHDCJ-MJBXVCDLSA-N 2 0 265.401 1.413 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001100617203 968803738 /nfs/dbraw/zinc/80/37/38/968803738.db2.gz IQRZAHPCYJRCLC-UHFFFAOYSA-N 2 0 279.428 1.389 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000849012653 969403773 /nfs/dbraw/zinc/40/37/73/969403773.db2.gz KFFZFSZLEHNKDG-AWEZNQCLSA-N 2 0 292.427 1.923 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001357474932 969602211 /nfs/dbraw/zinc/60/22/11/969602211.db2.gz SFZGGGKGMNSHRC-KFWWJZLASA-N 2 0 295.427 1.025 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC001522100929 970399324 /nfs/dbraw/zinc/39/93/24/970399324.db2.gz HORZMZSUALMKMS-HIFRSBDPSA-N 2 0 269.433 1.933 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001405843597 975901437 /nfs/dbraw/zinc/90/14/37/975901437.db2.gz KRXPYGCSNQWXCZ-CYBMUJFWSA-N 2 0 299.846 1.804 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001379578756 975933956 /nfs/dbraw/zinc/93/39/56/975933956.db2.gz GYNOUUMTJFNQJQ-NWDGAFQWSA-N 2 0 275.824 1.419 20 30 CDEDRP C=C(Cl)CN(C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001381628494 976958899 /nfs/dbraw/zinc/95/88/99/976958899.db2.gz OXFIYBLPWLGJEV-CHWSQXEVSA-N 2 0 289.851 1.762 20 30 CDEDRP C#CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132433892 1163288699 /nfs/dbraw/zinc/28/86/99/1163288699.db2.gz RNLAOBDIJLCXBE-GJZGRUSLSA-N 2 0 279.428 1.321 20 30 CDEDRP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[N@@H+]1CCCC[C@H]1C ZINC000594441771 342907706 /nfs/dbraw/zinc/90/77/06/342907706.db2.gz WRCXOSKWFAEDJC-ILXRZTDVSA-N 2 0 294.443 1.777 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595935174 343192590 /nfs/dbraw/zinc/19/25/90/343192590.db2.gz AQKFQAUCBQZPLT-HUUCEWRRSA-N 2 0 292.427 1.246 20 30 CDEDRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000090106752 342395558 /nfs/dbraw/zinc/39/55/58/342395558.db2.gz MQVMZLHNEVSGSG-BBRMVZONSA-N 2 0 273.380 1.867 20 30 CDEDRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)CC(C)(C)C#N)C2 ZINC000598618928 343844586 /nfs/dbraw/zinc/84/45/86/343844586.db2.gz SJRZEWXFHHPENE-GDBMZVCRSA-N 2 0 279.428 1.705 20 30 CDEDRP C[C@@H](CCC#N)C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000602671633 344522830 /nfs/dbraw/zinc/52/28/30/344522830.db2.gz VZLQFWUQSWKWOA-HNNXBMFYSA-N 2 0 294.443 1.508 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000236661047 358795670 /nfs/dbraw/zinc/79/56/70/358795670.db2.gz HYUNPKBITYOUIZ-QGZVFWFLSA-N 2 0 299.418 1.468 20 30 CDEDRP C[C@H]1C[N@H+](CCC(C)(C)C#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000345952306 358960799 /nfs/dbraw/zinc/96/07/99/358960799.db2.gz NEHNRLAXSGTHED-JKSUJKDBSA-N 2 0 292.471 1.884 20 30 CDEDRP C=CCN1CC[C@@H]([NH+]2CCC(CCC[NH+](C)C)CC2)C1=O ZINC000337187234 360031698 /nfs/dbraw/zinc/03/16/98/360031698.db2.gz PXAZIIJUIVEEOG-MRXNPFEDSA-N 2 0 293.455 1.827 20 30 CDEDRP CCC[NH+]1CCC([N@H+](C)CCC(=O)N(C)CCC#N)CC1 ZINC000092799258 360286024 /nfs/dbraw/zinc/28/60/24/360286024.db2.gz CKPGZCNAJWFFMR-UHFFFAOYSA-N 2 0 294.443 1.555 20 30 CDEDRP C=CCC[C@@H](CO)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000320248624 360476880 /nfs/dbraw/zinc/47/68/80/360476880.db2.gz HWLPDHFFAQPEBU-HNNXBMFYSA-N 2 0 275.396 1.967 20 30 CDEDRP C[C@H](CCC#N)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000563217417 360822729 /nfs/dbraw/zinc/82/27/29/360822729.db2.gz QJYSKOPUUVJQSC-CYBMUJFWSA-N 2 0 280.416 1.068 20 30 CDEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248742954 364441686 /nfs/dbraw/zinc/44/16/86/364441686.db2.gz ALVHTOCYONNBKO-BZUAXINKSA-N 2 0 278.444 1.684 20 30 CDEDRP CC[NH+](CC)Cc1ccc(CNC(=[NH2+])N(C)C)cc1 ZINC000170908778 365159461 /nfs/dbraw/zinc/15/94/61/365159461.db2.gz AFKWKPFGZVNDRM-UHFFFAOYSA-N 2 0 262.401 1.905 20 30 CDEDRP CC1CCN(C(=[NH2+])NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000122469395 370814709 /nfs/dbraw/zinc/81/47/09/370814709.db2.gz QBFWPJODRPULEU-HUUCEWRRSA-N 2 0 296.459 1.532 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000074132545 369236324 /nfs/dbraw/zinc/23/63/24/369236324.db2.gz PLCSGRQISAXJLB-HNNXBMFYSA-N 2 0 294.443 1.420 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC2CC[NH2+]CC2)CC1 ZINC000565941082 370571862 /nfs/dbraw/zinc/57/18/62/370571862.db2.gz MNGIZSFYHURPHJ-UHFFFAOYSA-N 2 0 294.443 1.326 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@H]2CC)CC1 ZINC000568205732 371209166 /nfs/dbraw/zinc/20/91/66/371209166.db2.gz IEJHPANXAAVCTP-OAHLLOKOSA-N 2 0 294.443 1.372 20 30 CDEDRP Cn1cc(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1C#N ZINC000276984121 374764379 /nfs/dbraw/zinc/76/43/79/374764379.db2.gz UFWSRZJDSRSHBW-HUUCEWRRSA-N 2 0 258.369 1.613 20 30 CDEDRP CN(C)C(=[NH2+])NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195291050 376000036 /nfs/dbraw/zinc/00/00/36/376000036.db2.gz VGQBSECLUYQECW-AWEZNQCLSA-N 2 0 260.385 1.385 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000417540222 377922330 /nfs/dbraw/zinc/92/23/30/377922330.db2.gz PBWNLSHEFAUFGK-AWEZNQCLSA-N 2 0 280.416 1.078 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000345265416 391112140 /nfs/dbraw/zinc/11/21/40/391112140.db2.gz RPXNZYNLSLUXKM-UHFFFAOYSA-N 2 0 279.428 1.485 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(CO)c1 ZINC000178567724 391188362 /nfs/dbraw/zinc/18/83/62/391188362.db2.gz NHEWAFHIOGLGPI-HNNXBMFYSA-N 2 0 290.411 1.068 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)CC[NH3+])C(C)C ZINC000417058151 391341413 /nfs/dbraw/zinc/34/14/13/391341413.db2.gz DRDMWJYYLIDZBP-CQSZACIVSA-N 2 0 282.432 1.285 20 30 CDEDRP C=CC[NH+](C)CCN(CC)CC[C@@H]1CCC[N@@H+]1C ZINC000411634720 391494035 /nfs/dbraw/zinc/49/40/35/391494035.db2.gz APZCSRVDBDUREN-HNNXBMFYSA-N 2 0 253.434 1.910 20 30 CDEDRP CN1CC[NH+]=C1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000262679545 391811169 /nfs/dbraw/zinc/81/11/69/391811169.db2.gz VMYGYYLSTQTJJW-HNNXBMFYSA-N 2 0 272.396 1.715 20 30 CDEDRP C[C@H]1C[NH+]=C(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)N1 ZINC000262687711 391812954 /nfs/dbraw/zinc/81/29/54/391812954.db2.gz YZGHDAPZSFCULE-GOEBONIOSA-N 2 0 286.423 1.488 20 30 CDEDRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442846332 392118832 /nfs/dbraw/zinc/11/88/32/392118832.db2.gz YXBWVYUIHCNTMV-ZIAGYGMSSA-N 2 0 253.390 1.627 20 30 CDEDRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000359695002 158339487 /nfs/dbraw/zinc/33/94/87/158339487.db2.gz KRODUVSRIBFLGL-ZDUSSCGKSA-N 2 0 260.385 1.718 20 30 CDEDRP C=CCCC[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001665068898 1172935752 /nfs/dbraw/zinc/93/57/52/1172935752.db2.gz CFRHCPXBYPIESL-HNNXBMFYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCN(CC)CC2)C1 ZINC000661379525 414035098 /nfs/dbraw/zinc/03/50/98/414035098.db2.gz ZCIKTYFWYNVYNP-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C[C@H](C[NH2+]CC(C)(C)CCC#N)CN1CC[NH+](C)CC1 ZINC000344267717 225010186 /nfs/dbraw/zinc/01/01/86/225010186.db2.gz XKHQRHLTJYISIA-OAHLLOKOSA-N 2 0 280.460 1.789 20 30 CDEDRP C[NH+]=C(NCC[NH2+]C(C)(C)C)N1CCSC(C)(C)C1 ZINC000126705352 264227605 /nfs/dbraw/zinc/22/76/05/264227605.db2.gz GDYPAPQOKZCSNZ-UHFFFAOYSA-N 2 0 286.489 1.777 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362800999 267047756 /nfs/dbraw/zinc/04/77/56/267047756.db2.gz JYLSNCKOPSOHAP-DZGCQCFKSA-N 2 0 279.428 1.341 20 30 CDEDRP CN(CCC[N@H+](C)Cc1ccc(C#N)cn1)CC[NH+](C)C ZINC000563364311 316271701 /nfs/dbraw/zinc/27/17/01/316271701.db2.gz PEMJBAOCCJYZPM-UHFFFAOYSA-N 2 0 289.427 1.269 20 30 CDEDRP COCCCN(C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185849205 329333418 /nfs/dbraw/zinc/33/34/18/329333418.db2.gz WYFVNWHRBQOXCA-UONOGXRCSA-N 2 0 253.390 1.627 20 30 CDEDRP C[NH+](C)C1(CNC(=[NH2+])NCC2CCC2)CCCC1 ZINC000262251617 330002792 /nfs/dbraw/zinc/00/27/92/330002792.db2.gz IRBZHFLZSCFLED-UHFFFAOYSA-N 2 0 252.406 1.565 20 30 CDEDRP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N1CC[C@H](COC)C1 ZINC000262474653 330015846 /nfs/dbraw/zinc/01/58/46/330015846.db2.gz PVMKWMNGSJFJBZ-AWEZNQCLSA-N 2 0 296.459 1.405 20 30 CDEDRP C#CCNC(NC[C@@H](C)[NH+]1CCC(C)CC1)=[NH+]CC ZINC000262609592 330023046 /nfs/dbraw/zinc/02/30/46/330023046.db2.gz IDZXTGQGCMMDDX-CQSZACIVSA-N 2 0 264.417 1.295 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1C[N@H+](CC(C)C)CCO1)N1CCCC1 ZINC000263251525 330050688 /nfs/dbraw/zinc/05/06/88/330050688.db2.gz PDCFUIDVHVYLPJ-OAHLLOKOSA-N 2 0 296.459 1.405 20 30 CDEDRP C=CC[C@@H](CO)C[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423016677 330165485 /nfs/dbraw/zinc/16/54/85/330165485.db2.gz NDQORVBJAQUCJL-UONOGXRCSA-N 2 0 298.427 1.082 20 30 CDEDRP C=C(CC)C[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423163355 330173957 /nfs/dbraw/zinc/17/39/57/330173957.db2.gz QXMOIPYTIYKSFC-ZDUSSCGKSA-N 2 0 268.401 1.864 20 30 CDEDRP C[NH+](C)C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424143131 330286950 /nfs/dbraw/zinc/28/69/50/330286950.db2.gz VZVNWVAMDJUHHW-CABCVRRESA-N 2 0 288.395 1.427 20 30 CDEDRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H]([NH3+])CCCC#N ZINC000424149279 330295853 /nfs/dbraw/zinc/29/58/53/330295853.db2.gz WFAXKFDTVMQBKM-ZIAGYGMSSA-N 2 0 280.416 1.340 20 30 CDEDRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424157096 330304723 /nfs/dbraw/zinc/30/47/23/330304723.db2.gz PDLKKELHLHESCU-BARDWOONSA-N 2 0 294.443 1.490 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000424158539 330305561 /nfs/dbraw/zinc/30/55/61/330305561.db2.gz RDUPENKZAOJLIR-KBPBESRZSA-N 2 0 278.400 1.094 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424454935 330352718 /nfs/dbraw/zinc/35/27/18/330352718.db2.gz QJUBIWXJIANBSO-ZIAGYGMSSA-N 2 0 280.416 1.206 20 30 CDEDRP C=CC[C@@H](CC)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000546666464 334044596 /nfs/dbraw/zinc/04/45/96/334044596.db2.gz DEIPSIJCNLMGBR-CQSZACIVSA-N 2 0 284.448 1.476 20 30 CDEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001699598964 1176494243 /nfs/dbraw/zinc/49/42/43/1176494243.db2.gz IWPBXXGYDKWAQW-GJZGRUSLSA-N 2 0 279.428 1.080 20 30 CDEDRP CC#CC[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001755321047 1159834389 /nfs/dbraw/zinc/83/43/89/1159834389.db2.gz FBPIASYCOAEHEV-HNNXBMFYSA-N 2 0 293.455 1.567 20 30 CDEDRP CC[N@@H+]1CC[C@H](CNC(N[C@@H]2C[C@H](OC)C2(C)C)=[NH+]C)C1 ZINC000261659841 1159906929 /nfs/dbraw/zinc/90/69/29/1159906929.db2.gz FNJDAMKPRZBREY-MCIONIFRSA-N 2 0 296.459 1.307 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001755721418 1160491703 /nfs/dbraw/zinc/49/17/03/1160491703.db2.gz ABALFPKOCQRTHA-LSDHHAIUSA-N 2 0 279.428 1.319 20 30 CDEDRP CCC#C[C@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000679318955 483336139 /nfs/dbraw/zinc/33/61/39/483336139.db2.gz ODUJGNYRFSHSIN-HNNXBMFYSA-N 2 0 251.418 1.358 20 30 CDEDRP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001754704768 1185710845 /nfs/dbraw/zinc/71/08/45/1185710845.db2.gz PBCCCPOQKFTOPJ-OAHLLOKOSA-N 2 0 267.417 1.342 20 30 CDEDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000067671787 521694170 /nfs/dbraw/zinc/69/41/70/521694170.db2.gz AZKKHXHPCQBDSJ-OAHLLOKOSA-N 2 0 286.423 1.674 20 30 CDEDRP C=CCN1CC[C@@H]([N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)C1=O ZINC000335277599 526475491 /nfs/dbraw/zinc/47/54/91/526475491.db2.gz JWBFDSPEMQFRMT-ZIAGYGMSSA-N 2 0 277.412 1.237 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000764441082 575907433 /nfs/dbraw/zinc/90/74/33/575907433.db2.gz JZDMISISMLWTRA-MRXNPFEDSA-N 2 0 289.423 1.832 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000968915073 612962848 /nfs/dbraw/zinc/96/28/48/612962848.db2.gz BPQZGKCKPNJPED-ZBFHGGJFSA-N 2 0 289.423 1.217 20 30 CDEDRP C#CC[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000948779433 613160997 /nfs/dbraw/zinc/16/09/97/613160997.db2.gz NRGXMSVIORRWST-HZPDHXFCSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CC[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000948775350 613161463 /nfs/dbraw/zinc/16/14/63/613161463.db2.gz GMSHGURNJHMNGI-JKSUJKDBSA-N 2 0 291.439 1.417 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000980479121 613288144 /nfs/dbraw/zinc/28/81/44/613288144.db2.gz SNPFVALRQNHNFJ-INIZCTEOSA-N 2 0 293.455 1.971 20 30 CDEDRP C#CC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000977217670 613297108 /nfs/dbraw/zinc/29/71/08/613297108.db2.gz UDMSPBVQTZCUCY-HNNXBMFYSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000969955716 613348273 /nfs/dbraw/zinc/34/82/73/613348273.db2.gz RSLQGUXOPBVHJT-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000972330844 613611807 /nfs/dbraw/zinc/61/18/07/613611807.db2.gz IBULEJCKVYUPEV-ZIAGYGMSSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CCN1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000950357029 613654363 /nfs/dbraw/zinc/65/43/63/613654363.db2.gz HCABZKMUEFSIJZ-TZMCWYRMSA-N 2 0 265.401 1.045 20 30 CDEDRP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000981842851 613679141 /nfs/dbraw/zinc/67/91/41/613679141.db2.gz NQVZOVSFBHICQS-CQSZACIVSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000982799755 613823323 /nfs/dbraw/zinc/82/33/23/613823323.db2.gz XWEKSWCDKMRGJV-BHYGNILZSA-N 2 0 291.439 1.295 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC000965065713 613858379 /nfs/dbraw/zinc/85/83/79/613858379.db2.gz ZAHVTULAXGRHIZ-KBMGIXFMSA-N 2 0 291.439 1.387 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000969560348 613862946 /nfs/dbraw/zinc/86/29/46/613862946.db2.gz OYSQOUPMTPJGEU-CYBMUJFWSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000970796677 613864711 /nfs/dbraw/zinc/86/47/11/613864711.db2.gz PJCWWOQFDZNYMK-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCCC(C)(C)[NH3+])CC1 ZINC000891521256 617460048 /nfs/dbraw/zinc/46/00/48/617460048.db2.gz GFJQLFZGRZOAMA-UHFFFAOYSA-N 2 0 268.405 1.063 20 30 CDEDRP CC(C)[NH+]1CCC(O)(C[NH2+]CC#Cc2ccccc2)CC1 ZINC000893105040 618175643 /nfs/dbraw/zinc/17/56/43/618175643.db2.gz BQAOXFAWQLIOHT-UHFFFAOYSA-N 2 0 286.419 1.863 20 30 CDEDRP C#CC[C@H](CO)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000895491273 619693035 /nfs/dbraw/zinc/69/30/35/619693035.db2.gz ZYYBBMBNJLLHIH-KBAYOESNSA-N 2 0 286.419 1.871 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000911655882 629402112 /nfs/dbraw/zinc/40/21/12/629402112.db2.gz KWIMNSYIWIXVCZ-ZIAGYGMSSA-N 2 0 269.433 1.885 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001104322429 1158727432 /nfs/dbraw/zinc/72/74/32/1158727432.db2.gz JNSCRDDRQZFUIV-OAGGEKHMSA-N 2 0 295.471 1.833 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001074877992 695537957 /nfs/dbraw/zinc/53/79/57/695537957.db2.gz VLKNQCNEBMGWIU-RDBSUJKOSA-N 2 0 265.401 1.093 20 30 CDEDRP CN(C(=[NH2+])NC[C@H](C1CCCCC1)[NH+](C)C)C1CC1 ZINC000305805201 695651396 /nfs/dbraw/zinc/65/13/96/695651396.db2.gz GBZZXVRFLPGWQY-CQSZACIVSA-N 2 0 266.433 1.906 20 30 CDEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])N[C@@H](C)CC ZINC000304832151 695931519 /nfs/dbraw/zinc/93/15/19/695931519.db2.gz LADMEEGQYHGUDL-NWDGAFQWSA-N 2 0 258.410 1.046 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000986480950 695355418 /nfs/dbraw/zinc/35/54/18/695355418.db2.gz JRNKTFYECUMQES-IUODEOHRSA-N 2 0 284.363 1.713 20 30 CDEDRP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001001084766 695372266 /nfs/dbraw/zinc/37/22/66/695372266.db2.gz AQWWPWBYOUAIGD-HOCLYGCPSA-N 2 0 289.423 1.098 20 30 CDEDRP CC(C)CCNC(=[NH2+])NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000305011831 695474969 /nfs/dbraw/zinc/47/49/69/695474969.db2.gz KRSZSFDEGMFBNW-AWEZNQCLSA-N 2 0 268.449 1.915 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001023123369 695511388 /nfs/dbraw/zinc/51/13/88/695511388.db2.gz UVHBUTIOYRDOAL-KPWCQOOUSA-N 2 0 265.401 1.282 20 30 CDEDRP CCN(CC)C(=[NH2+])NCCC[N@@H+]1CCCC[C@H]1C ZINC000303771031 695514916 /nfs/dbraw/zinc/51/49/16/695514916.db2.gz CGCQKVMVJJSMKL-CYBMUJFWSA-N 2 0 254.422 1.907 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)Cn2ccnc2C)CC[C@@H]1C ZINC001072084695 695540677 /nfs/dbraw/zinc/54/06/77/695540677.db2.gz HGWJLEXZJLCCLX-DZGCQCFKSA-N 2 0 290.411 1.737 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC001029004061 695582399 /nfs/dbraw/zinc/58/23/99/695582399.db2.gz SLGVVTFJUITIMU-OAHLLOKOSA-N 2 0 291.439 1.180 20 30 CDEDRP CC[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)[NH+]1CCCC1 ZINC000303906057 695634348 /nfs/dbraw/zinc/63/43/48/695634348.db2.gz VVMCSCGHZJEXNR-GJZGRUSLSA-N 3 0 295.475 1.249 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031765611 695686142 /nfs/dbraw/zinc/68/61/42/695686142.db2.gz JBSPZTBWAJSMFA-CVEARBPZSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001049841674 695725237 /nfs/dbraw/zinc/72/52/37/695725237.db2.gz SZMFIYWCNXYAEI-OWCLPIDISA-N 2 0 289.423 1.027 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001001010425 695808979 /nfs/dbraw/zinc/80/89/79/695808979.db2.gz URQALOANSRDGBB-HZPDHXFCSA-N 2 0 291.439 1.321 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(CC#N)CC1 ZINC000849025682 695821372 /nfs/dbraw/zinc/82/13/72/695821372.db2.gz BEKRARLTTOYPNG-GFCCVEGCSA-N 2 0 263.389 1.279 20 30 CDEDRP C[NH+]=C(NCCOC)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000071804044 695833852 /nfs/dbraw/zinc/83/38/52/695833852.db2.gz MNGHPVFDQZUARE-OLZOCXBDSA-N 2 0 270.421 1.061 20 30 CDEDRP C#C[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809683519 695853779 /nfs/dbraw/zinc/85/37/79/695853779.db2.gz DPDYXQLBCQVVOY-AWEZNQCLSA-N 2 0 257.381 1.550 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001018938622 695867122 /nfs/dbraw/zinc/86/71/22/695867122.db2.gz VURDCFJJYCGSEJ-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001002803828 695873217 /nfs/dbraw/zinc/87/32/17/695873217.db2.gz VWLGSQGEIYQLQB-GOEBONIOSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001020239361 695893546 /nfs/dbraw/zinc/89/35/46/695893546.db2.gz YBDNHUHPDSTBQE-IIAWOOMASA-N 2 0 291.439 1.816 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001001469757 695920536 /nfs/dbraw/zinc/92/05/36/695920536.db2.gz ZGTGYHZVEIFSCD-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000876766684 695934851 /nfs/dbraw/zinc/93/48/51/695934851.db2.gz PWDCQXHHGKEXEN-STQMWFEESA-N 2 0 287.835 1.837 20 30 CDEDRP C=C(C)C[N@@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989491056 695936125 /nfs/dbraw/zinc/93/61/25/695936125.db2.gz QFXQCHJCHMPZNI-UHFFFAOYSA-N 2 0 277.412 1.193 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033199285 695941773 /nfs/dbraw/zinc/94/17/73/695941773.db2.gz PUUGHWUOKBOOPI-HUUCEWRRSA-N 2 0 277.412 1.027 20 30 CDEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000923390932 695993099 /nfs/dbraw/zinc/99/30/99/695993099.db2.gz ZUVBOYWILBKYJI-YHUYYLMFSA-N 2 0 282.428 1.532 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]CC)C2)CC1 ZINC001048069318 696041009 /nfs/dbraw/zinc/04/10/09/696041009.db2.gz PDVDQGVHAZIUGW-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP [NH2+]=C(NCC[NH+]1CCCC1)N[C@H]1CCOc2ccccc21 ZINC000083030147 696045102 /nfs/dbraw/zinc/04/51/02/696045102.db2.gz LQFMNQDWMGTBHQ-AWEZNQCLSA-N 2 0 288.395 1.510 20 30 CDEDRP C#Cc1cccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)c1 ZINC000849037969 696064888 /nfs/dbraw/zinc/06/48/88/696064888.db2.gz DJIQRRKHRZDSFM-INIZCTEOSA-N 2 0 284.407 1.766 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001019811077 696068327 /nfs/dbraw/zinc/06/83/27/696068327.db2.gz ZAWBWUWQKSDMCI-INIZCTEOSA-N 2 0 285.391 1.186 20 30 CDEDRP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049213268 696078505 /nfs/dbraw/zinc/07/85/05/696078505.db2.gz LWXRUUKFSXIQNU-MCIONIFRSA-N 2 0 297.830 1.081 20 30 CDEDRP C[C@@H](CC(C)(C)C#N)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000924631013 696094850 /nfs/dbraw/zinc/09/48/50/696094850.db2.gz CYJWVZJDTTUFOM-AWEZNQCLSA-N 2 0 280.460 1.930 20 30 CDEDRP C#CCCOC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000858930520 696196050 /nfs/dbraw/zinc/19/60/50/696196050.db2.gz MDMGWMYKEBFQDN-OAHLLOKOSA-N 2 0 295.427 1.494 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001027789686 696200288 /nfs/dbraw/zinc/20/02/88/696200288.db2.gz JWMDCBIAMTXNGT-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001026283889 696221146 /nfs/dbraw/zinc/22/11/46/696221146.db2.gz MXDKKUDCJGXFJF-RRFJBIMHSA-N 2 0 291.439 1.483 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)CC[N@@H+](C)CC ZINC001170212442 1162301603 /nfs/dbraw/zinc/30/16/03/1162301603.db2.gz YSUDUFACXUWMJE-CQSZACIVSA-N 2 0 269.433 1.779 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130425318 1162622904 /nfs/dbraw/zinc/62/29/04/1162622904.db2.gz TVTVYTBFAUDENY-ZDUSSCGKSA-N 2 0 269.433 1.777 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001113275163 1162146161 /nfs/dbraw/zinc/14/61/61/1162146161.db2.gz DEAWYYKMEZDNGT-UHFFFAOYSA-N 2 0 267.417 1.439 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001113343857 1162158969 /nfs/dbraw/zinc/15/89/69/1162158969.db2.gz HCZJEQMLGZTSGD-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001133274889 1163622125 /nfs/dbraw/zinc/62/21/25/1163622125.db2.gz ODIVTFCLUOYXLT-HOTGVXAUSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001114442631 1165045177 /nfs/dbraw/zinc/04/51/77/1165045177.db2.gz LCIWYBGWKLKHSZ-JJXSEGSLSA-N 2 0 293.455 1.585 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)CC ZINC001114488086 1165359377 /nfs/dbraw/zinc/35/93/77/1165359377.db2.gz GKEBYYFWKQMZDQ-FICVDOATSA-N 2 0 293.455 1.729 20 30 CDEDRP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001569146967 1169691165 /nfs/dbraw/zinc/69/11/65/1169691165.db2.gz OGRJZNNWGSORQV-UONOGXRCSA-N 2 0 267.417 1.032 20 30 CDEDRP C#CCN(C[C@@H]1CCC[C@]2(CCOC2)O1)C1CC[NH2+]CC1 ZINC001574667269 1170998655 /nfs/dbraw/zinc/99/86/55/1170998655.db2.gz OKPURBHIRPMKFU-DLBZAZTESA-N 2 0 292.423 1.402 20 30 CDEDRP CC(C)(CNC(=O)[C@@H]([NH3+])CCCC#N)C[NH+]1CCCC1 ZINC001575320414 1171152197 /nfs/dbraw/zinc/15/21/97/1171152197.db2.gz VUWGPLUTBRIAQZ-ZDUSSCGKSA-N 2 0 280.416 1.246 20 30 CDEDRP N#CC1(C[C@@H](O)CN[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC001580038726 1172330163 /nfs/dbraw/zinc/33/01/63/1172330163.db2.gz RDXXMYDAIMVNBZ-BRWVUGGUSA-N 2 0 299.418 1.776 20 30 CDEDRP C=CC[N@H+](C)CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001752060134 1184814518 /nfs/dbraw/zinc/81/45/18/1184814518.db2.gz KXOROPBVFAYKCE-MRXNPFEDSA-N 2 0 299.434 1.823 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001752812185 1184920619 /nfs/dbraw/zinc/92/06/19/1184920619.db2.gz VHNHTFXIHIMNRN-OAHLLOKOSA-N 2 0 281.444 1.733 20 30 CDEDRP CC#CC[NH2+]C1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001752854266 1184934304 /nfs/dbraw/zinc/93/43/04/1184934304.db2.gz ZHKCHEXIXXUJRV-UHFFFAOYSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001753053348 1185023855 /nfs/dbraw/zinc/02/38/55/1185023855.db2.gz ORWCTBKVBCMLRZ-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001753111592 1185066097 /nfs/dbraw/zinc/06/60/97/1185066097.db2.gz LEATXTGQJTWDEN-GJZGRUSLSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CC[N@@H+](C)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001753364838 1185169771 /nfs/dbraw/zinc/16/97/71/1185169771.db2.gz DNFOKUINOJZOLH-UHFFFAOYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001753559305 1185254309 /nfs/dbraw/zinc/25/43/09/1185254309.db2.gz NJOWFACFFAQLHT-JKSUJKDBSA-N 2 0 293.455 1.733 20 30 CDEDRP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001754321709 1185576209 /nfs/dbraw/zinc/57/62/09/1185576209.db2.gz QAWKJOCUKSQJFN-HZPDHXFCSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001754325831 1185578530 /nfs/dbraw/zinc/57/85/30/1185578530.db2.gz WUIINORTEBCSTK-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001754500151 1185646318 /nfs/dbraw/zinc/64/63/18/1185646318.db2.gz LHBBBALTTCEOCP-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CC[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001754535651 1185662840 /nfs/dbraw/zinc/66/28/40/1185662840.db2.gz LXFKKXXCPPUNJW-UHFFFAOYSA-N 2 0 277.412 1.124 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC001754599859 1185678480 /nfs/dbraw/zinc/67/84/80/1185678480.db2.gz VSBPWCISHFPNIQ-UONOGXRCSA-N 2 0 267.417 1.483 20 30 CDEDRP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001754808079 1185736183 /nfs/dbraw/zinc/73/61/83/1185736183.db2.gz XKMCPWMEPVEREC-GJZGRUSLSA-N 2 0 279.428 1.177 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001754826286 1185742184 /nfs/dbraw/zinc/74/21/84/1185742184.db2.gz YLFSUHIUWKCBRM-CABCVRRESA-N 2 0 281.444 1.588 20 30 CDEDRP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001755565979 1185993700 /nfs/dbraw/zinc/99/37/00/1185993700.db2.gz JWUPECNFNKFKGD-CWRNSKLLSA-N 2 0 293.455 1.729 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](CC)CC2)CC1 ZINC001045646141 724414424 /nfs/dbraw/zinc/41/44/24/724414424.db2.gz FFAOIXGZGTZXKG-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC2C[NH+](C[C@H](C)CC)C2)CC1 ZINC001031434881 723737482 /nfs/dbraw/zinc/73/74/82/723737482.db2.gz IRDUQDXIUZBDPF-CQSZACIVSA-N 2 0 291.439 1.178 20 30 CDEDRP C[C@H](C[NH+]=C(N(C)C)N(C)C)[N@@H+]1CCCC[C@H]1C ZINC000262021932 723726494 /nfs/dbraw/zinc/72/64/94/723726494.db2.gz YBRQACBALKFOJD-CHWSQXEVSA-N 2 0 254.422 1.729 20 30 CDEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001073457646 723729493 /nfs/dbraw/zinc/72/94/93/723729493.db2.gz ZMAJIYRFTNQXCZ-OAHLLOKOSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001036191798 723732215 /nfs/dbraw/zinc/73/22/15/723732215.db2.gz HIWDJXJLEXEUOZ-LSDHHAIUSA-N 2 0 291.439 1.178 20 30 CDEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])NCC1CCC1 ZINC000304847247 723741792 /nfs/dbraw/zinc/74/17/92/723741792.db2.gz VBABEHGMYWUDAQ-CYBMUJFWSA-N 2 0 270.421 1.048 20 30 CDEDRP C[C@@H](CNC(=[NH2+])N1CCSCC1)C[NH+]1CCCC1 ZINC000303869310 723745368 /nfs/dbraw/zinc/74/53/68/723745368.db2.gz DVINRAJPGIZJTL-LBPRGKRZSA-N 2 0 270.446 1.082 20 30 CDEDRP C[NH+](C)CCCCCCCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000161554428 723752205 /nfs/dbraw/zinc/75/22/05/723752205.db2.gz ZZFGOFHUTRXPCO-CQSZACIVSA-N 2 0 284.448 1.582 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001033416078 723764507 /nfs/dbraw/zinc/76/45/07/723764507.db2.gz NAEBPJPEQNAIIF-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001052712285 723828824 /nfs/dbraw/zinc/82/88/24/723828824.db2.gz GPZWZPROIOHFFV-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C ZINC001039343257 723866554 /nfs/dbraw/zinc/86/65/54/723866554.db2.gz NBZBQCAOCHJOIQ-PMPSAXMXSA-N 2 0 291.439 1.722 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001075038940 723929220 /nfs/dbraw/zinc/92/92/20/723929220.db2.gz JXLKBOYUEASHEU-IHRRRGAJSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052864221 724056392 /nfs/dbraw/zinc/05/63/92/724056392.db2.gz CFFNDKCAAIGRFW-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000993930494 724302845 /nfs/dbraw/zinc/30/28/45/724302845.db2.gz QHWGHXQSWFYFPX-GOEBONIOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001054905305 724303030 /nfs/dbraw/zinc/30/30/30/724303030.db2.gz CTTHIHDMAKJOQE-DOMZBBRYSA-N 2 0 284.363 1.570 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CC ZINC001037917863 724258103 /nfs/dbraw/zinc/25/81/03/724258103.db2.gz DGIXVJRBSZHQFZ-HOCLYGCPSA-N 2 0 291.439 1.178 20 30 CDEDRP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000923361169 724327363 /nfs/dbraw/zinc/32/73/63/724327363.db2.gz DSYXWZBQWXZHCB-RCCFBDPRSA-N 2 0 299.418 1.913 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000990244946 725396055 /nfs/dbraw/zinc/39/60/55/725396055.db2.gz RELJDBMQURSXFP-CYBMUJFWSA-N 2 0 285.819 1.414 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001042354656 724450864 /nfs/dbraw/zinc/45/08/64/724450864.db2.gz BKUDEBXLFOUYHA-JKSUJKDBSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001007368760 724596179 /nfs/dbraw/zinc/59/61/79/724596179.db2.gz KNCQDGRQSLNBLQ-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=[NH2+])N2CCOCC2)C1 ZINC000303888383 724619816 /nfs/dbraw/zinc/61/98/16/724619816.db2.gz LJCKKCUYYMLLKI-ZIAGYGMSSA-N 2 0 282.432 1.001 20 30 CDEDRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000923296483 724637651 /nfs/dbraw/zinc/63/76/51/724637651.db2.gz SXMUVQQEWLEWDC-HUUCEWRRSA-N 2 0 261.369 1.555 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001031684466 724648056 /nfs/dbraw/zinc/64/80/56/724648056.db2.gz OXFKRXYXLFQZSW-LSDHHAIUSA-N 2 0 279.428 1.341 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CC ZINC001037917860 724692604 /nfs/dbraw/zinc/69/26/04/724692604.db2.gz DGIXVJRBSZHQFZ-GOEBONIOSA-N 2 0 291.439 1.178 20 30 CDEDRP CC[C@H](CNC(=[NH2+])N1CCCCC1)[NH+]1CCCC1 ZINC000303879046 724729887 /nfs/dbraw/zinc/72/98/87/724729887.db2.gz GKMAVMDDCAHPHT-CYBMUJFWSA-N 2 0 252.406 1.661 20 30 CDEDRP CC#CC[NH+]1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001005933965 724754952 /nfs/dbraw/zinc/75/49/52/724754952.db2.gz IUMQMPAEBJSOQQ-UHFFFAOYSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001016340252 724769084 /nfs/dbraw/zinc/76/90/84/724769084.db2.gz VXABSBCCMWFGSD-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CC ZINC001037847584 724778302 /nfs/dbraw/zinc/77/83/02/724778302.db2.gz AMBZNZKABLQYJB-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034776104 724780053 /nfs/dbraw/zinc/78/00/53/724780053.db2.gz PVSDAQGGHPKZSZ-JYJNAYRXSA-N 2 0 293.455 1.921 20 30 CDEDRP CC[C@H](O)CN[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000811653430 724787026 /nfs/dbraw/zinc/78/70/26/724787026.db2.gz DDMFGMAWXCVKPK-INIZCTEOSA-N 2 0 290.411 1.133 20 30 CDEDRP C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001017666898 724809154 /nfs/dbraw/zinc/80/91/54/724809154.db2.gz PRAZCCLTLMZCTJ-XHSDSOJGSA-N 2 0 289.423 1.169 20 30 CDEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000104172343 724815672 /nfs/dbraw/zinc/81/56/72/724815672.db2.gz ILOCMWZCJANCNE-OAHLLOKOSA-N 2 0 274.412 1.475 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC000996378464 723695093 /nfs/dbraw/zinc/69/50/93/723695093.db2.gz HJOLGCXBOCTTPF-OAHLLOKOSA-N 2 0 291.439 1.178 20 30 CDEDRP C[C@@H](CCNC(=[NH2+])NC(C)(C)C)[NH+]1CCCCC1 ZINC000305815048 723711888 /nfs/dbraw/zinc/71/18/88/723711888.db2.gz LRQGWSNDPNEWKJ-LBPRGKRZSA-N 2 0 254.422 1.954 20 30 CDEDRP C=CCN(CC(=O)OCC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000841006089 723717199 /nfs/dbraw/zinc/71/71/99/723717199.db2.gz AHIWBJUHZLNDQC-STQMWFEESA-N 2 0 254.374 1.426 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000998781965 723718633 /nfs/dbraw/zinc/71/86/33/723718633.db2.gz ZOBZWIWGFYIRJV-YMAMQOFZSA-N 2 0 277.412 1.093 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001028580420 723762689 /nfs/dbraw/zinc/76/26/89/723762689.db2.gz VYEPWLYLKTZMBT-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001017618365 723798798 /nfs/dbraw/zinc/79/87/98/723798798.db2.gz RPTJKRHEBOUXTN-OWCLPIDISA-N 2 0 289.423 1.025 20 30 CDEDRP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033473779 723894650 /nfs/dbraw/zinc/89/46/50/723894650.db2.gz IJFNQFPYJVNMNR-CVEARBPZSA-N 2 0 293.455 1.968 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028028315 723901242 /nfs/dbraw/zinc/90/12/42/723901242.db2.gz DVSLRQAHFDFPPS-AWEZNQCLSA-N 2 0 284.363 1.715 20 30 CDEDRP N#Cc1ccc(NCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000927163528 723909269 /nfs/dbraw/zinc/90/92/69/723909269.db2.gz KXFGJEDEPFCCDB-LSDHHAIUSA-N 2 0 285.395 1.582 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033476306 724035599 /nfs/dbraw/zinc/03/55/99/724035599.db2.gz VDYSQFBLIZPRMM-MRXNPFEDSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001038259338 724037563 /nfs/dbraw/zinc/03/75/63/724037563.db2.gz ACXIZRPTAWERHW-GJZGRUSLSA-N 2 0 277.412 1.095 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001054863717 724057525 /nfs/dbraw/zinc/05/75/25/724057525.db2.gz WDESTBAZKBCZNE-BBRMVZONSA-N 2 0 298.390 1.961 20 30 CDEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001005589552 724259311 /nfs/dbraw/zinc/25/93/11/724259311.db2.gz RHEYPSXVYOCSLL-MRXNPFEDSA-N 2 0 291.439 1.417 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001022885548 724299568 /nfs/dbraw/zinc/29/95/68/724299568.db2.gz FHBMKURQEMRDIZ-GASCZTMLSA-N 2 0 279.428 1.531 20 30 CDEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000985499605 725085114 /nfs/dbraw/zinc/08/51/14/725085114.db2.gz VTADTGXQQDSGAC-MRXNPFEDSA-N 2 0 293.455 1.970 20 30 CDEDRP CC(C)CNC(=[NH2+])NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000303895132 725151807 /nfs/dbraw/zinc/15/18/07/725151807.db2.gz SZIDNTGBZHQCGD-CYBMUJFWSA-N 2 0 254.422 1.667 20 30 CDEDRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)CC3(C#N)CCC3)C2)C1 ZINC000886218354 725199469 /nfs/dbraw/zinc/19/94/69/725199469.db2.gz TTXGIAHHKCACER-NVXWUHKLSA-N 2 0 291.439 1.849 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847341 725224229 /nfs/dbraw/zinc/22/42/29/725224229.db2.gz VNYOTCRQAKWZOQ-CABCVRRESA-N 2 0 289.423 1.334 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052864220 725239695 /nfs/dbraw/zinc/23/96/95/725239695.db2.gz CFFNDKCAAIGRFW-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000925893137 725248447 /nfs/dbraw/zinc/24/84/47/725248447.db2.gz LQNVXTVSTLYCQQ-TZMCWYRMSA-N 2 0 273.384 1.343 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC000986568130 725316259 /nfs/dbraw/zinc/31/62/59/725316259.db2.gz UWPRULXKHCQUCE-WFASDCNBSA-N 2 0 282.347 1.160 20 30 CDEDRP C=CCC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000883192194 725327994 /nfs/dbraw/zinc/32/79/94/725327994.db2.gz SORBKOLPLQJSAL-GJZGRUSLSA-N 2 0 282.428 1.547 20 30 CDEDRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC[N@@H+]1C ZINC000158252677 725344010 /nfs/dbraw/zinc/34/40/10/725344010.db2.gz UEHBFZBHJGAOBI-KCXAZCMYSA-N 2 0 273.380 1.664 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001054970037 725373283 /nfs/dbraw/zinc/37/32/83/725373283.db2.gz YWHYHRYBBMYSQE-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH+]1CCCCCC1 ZINC000303876044 725373371 /nfs/dbraw/zinc/37/33/71/725373371.db2.gz DOPLLPILQVRIRL-OAHLLOKOSA-N 3 0 295.475 1.251 20 30 CDEDRP C=C(C)CCN1CC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001030519143 725383829 /nfs/dbraw/zinc/38/38/29/725383829.db2.gz LXFIMQOSBVMAHH-HOTGVXAUSA-N 2 0 291.439 1.770 20 30 CDEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680021 725386231 /nfs/dbraw/zinc/38/62/31/725386231.db2.gz FJUVAIIADZXNPO-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[N@H+]1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]21 ZINC001036736432 725388689 /nfs/dbraw/zinc/38/86/89/725388689.db2.gz ZTJQFFSYNBSOFP-GJZGRUSLSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001018267228 725396208 /nfs/dbraw/zinc/39/62/08/725396208.db2.gz ZWQAFHTZTRIAQK-KFWWJZLASA-N 2 0 277.412 1.189 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000923380980 725400996 /nfs/dbraw/zinc/40/09/96/725400996.db2.gz YTCWSEGKBSYONN-OWCLPIDISA-N 2 0 282.428 1.532 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052393360 725408483 /nfs/dbraw/zinc/40/84/83/725408483.db2.gz IFTHWJNETDSABI-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003082 725409751 /nfs/dbraw/zinc/40/97/51/725409751.db2.gz AQKNWCFTSONZDU-AWEZNQCLSA-N 2 0 277.412 1.239 20 30 CDEDRP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034132934 725410173 /nfs/dbraw/zinc/41/01/73/725410173.db2.gz VHKMFRYDLKPEJC-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCF)CC1 ZINC001052456704 725415212 /nfs/dbraw/zinc/41/52/12/725415212.db2.gz IYGZXXNECXKCEM-GJZGRUSLSA-N 2 0 295.402 1.024 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001074658793 725415965 /nfs/dbraw/zinc/41/59/65/725415965.db2.gz AVBOJMUVKPNXNH-YHUYYLMFSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1C ZINC001032479078 725416356 /nfs/dbraw/zinc/41/63/56/725416356.db2.gz DCGSEHZDKCEMIR-SOUVJXGZSA-N 2 0 277.412 1.332 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025598139 725416876 /nfs/dbraw/zinc/41/68/76/725416876.db2.gz VBVSIWXFHQSVTI-GJZGRUSLSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000996692779 725431193 /nfs/dbraw/zinc/43/11/93/725431193.db2.gz XWSPXGHXHHDHRQ-OAHLLOKOSA-N 2 0 277.412 1.075 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001039470485 725432240 /nfs/dbraw/zinc/43/22/40/725432240.db2.gz FAHGWOKLTDNDLR-CVEARBPZSA-N 2 0 289.423 1.171 20 30 CDEDRP C#CC[C@@H](CO)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000717726230 725433662 /nfs/dbraw/zinc/43/36/62/725433662.db2.gz AXUQFCDTMJOVIH-AWEZNQCLSA-N 2 0 259.353 1.024 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2c[nH]cn2)C1 ZINC000988931620 725435474 /nfs/dbraw/zinc/43/54/74/725435474.db2.gz AYGUCFGFGXSWRH-JSGCOSHPSA-N 2 0 276.384 1.497 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001029003204 725448825 /nfs/dbraw/zinc/44/88/25/725448825.db2.gz INMLUDPUCYEGSJ-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001016541228 725520924 /nfs/dbraw/zinc/52/09/24/725520924.db2.gz XPBIMGHZCRDZIQ-UONOGXRCSA-N 2 0 277.412 1.237 20 30 CDEDRP C#CCOCC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213885 725529118 /nfs/dbraw/zinc/52/91/18/725529118.db2.gz RTBRJXBPMVVLFC-UHFFFAOYSA-N 2 0 260.381 1.830 20 30 CDEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000261913162 725530824 /nfs/dbraw/zinc/53/08/24/725530824.db2.gz YSSXIDDXSDUXTF-LBPRGKRZSA-N 2 0 252.406 1.565 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001032628220 725559883 /nfs/dbraw/zinc/55/98/83/725559883.db2.gz SZLAVADHYTYMTI-JYJNAYRXSA-N 2 0 291.439 1.580 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001009637746 725920528 /nfs/dbraw/zinc/92/05/28/725920528.db2.gz QWWGTPIJXOTCRB-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP CCN(CC)C(=[NH2+])NC[C@H](C)C[NH+]1CCCCC1 ZINC000104176362 725922834 /nfs/dbraw/zinc/92/28/34/725922834.db2.gz KIZDKCRICUDHKX-ZDUSSCGKSA-N 2 0 254.422 1.765 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001032522813 725964720 /nfs/dbraw/zinc/96/47/20/725964720.db2.gz RZEGCNSWEOYQLD-HOTGVXAUSA-N 2 0 296.374 1.809 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997187950 725980002 /nfs/dbraw/zinc/98/00/02/725980002.db2.gz XVVBTFZVOOKHHY-ZDUSSCGKSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001027789681 725983333 /nfs/dbraw/zinc/98/33/33/725983333.db2.gz JWFSZHXPADCNQY-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001155288887 1167115474 /nfs/dbraw/zinc/11/54/74/1167115474.db2.gz DWEOZPUQAXBREW-KGLIPLIRSA-N 2 0 269.433 1.729 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC001089060305 912550071 /nfs/dbraw/zinc/55/00/71/912550071.db2.gz CYTLMXRQUFZYOR-PBHICJAKSA-N 2 0 299.418 1.574 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001106246208 913710015 /nfs/dbraw/zinc/71/00/15/913710015.db2.gz IKTJZPLQKNZQRE-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266352641 894516268 /nfs/dbraw/zinc/51/62/68/894516268.db2.gz FHJMYNZSMYBTEN-GJZGRUSLSA-N 2 0 281.444 1.729 20 30 CDEDRP CN(C)/C=[NH+]/c1ccc(N[C@H]2CC[N@H+](C)C2)cc1C#N ZINC001167278258 895028827 /nfs/dbraw/zinc/02/88/27/895028827.db2.gz FCIWIQMARFBZBO-MPMPPSQCSA-N 2 0 271.368 1.896 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267068490 896680071 /nfs/dbraw/zinc/68/00/71/896680071.db2.gz YAWVHNBHAJGEFN-KBPBESRZSA-N 2 0 267.417 1.197 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001106660244 914107059 /nfs/dbraw/zinc/10/70/59/914107059.db2.gz HLYITASZURGGRY-BZUAXINKSA-N 2 0 293.455 1.424 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167668391 897346494 /nfs/dbraw/zinc/34/64/94/897346494.db2.gz SWRPUYDXNLOBRM-UHFFFAOYSA-N 2 0 267.417 1.390 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176752962 914258319 /nfs/dbraw/zinc/25/83/19/914258319.db2.gz BPCMAIBPRQDRJK-OAHLLOKOSA-N 2 0 281.444 1.615 20 30 CDEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001104599429 898778995 /nfs/dbraw/zinc/77/89/95/898778995.db2.gz PCOAIJWLXWVHEZ-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CC[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001026606658 900016058 /nfs/dbraw/zinc/01/60/58/900016058.db2.gz NUCCHYPDNATBHK-UHFFFAOYSA-N 2 0 265.401 1.285 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176972037 914410915 /nfs/dbraw/zinc/41/09/15/914410915.db2.gz LNQRBRASXGCRHF-UHFFFAOYSA-N 2 0 255.406 1.389 20 30 CDEDRP C#CCN1CC[NH+]([C@H](C)CCC[NH+](CC)CC)CC1 ZINC001167833697 901199994 /nfs/dbraw/zinc/19/99/94/901199994.db2.gz DJLXHWNQNJXSEA-MRXNPFEDSA-N 2 0 265.445 1.748 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028656513 903313901 /nfs/dbraw/zinc/31/39/01/903313901.db2.gz KASHRBRTXIQIGC-OAHLLOKOSA-N 2 0 291.439 1.629 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1CC ZINC001087726738 905792153 /nfs/dbraw/zinc/79/21/53/905792153.db2.gz QJALTSKNGCAXGG-HRCADAONSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087796574 905853957 /nfs/dbraw/zinc/85/39/57/905853957.db2.gz GPBBVWFRJSUMBY-HRCADAONSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189391157 921456664 /nfs/dbraw/zinc/45/66/64/921456664.db2.gz WNGMEHRRHPEADB-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC001088710482 909183905 /nfs/dbraw/zinc/18/39/05/909183905.db2.gz QJSRKDUJEPHWTA-CJNGLKHVSA-N 2 0 296.374 1.550 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1C ZINC001088817896 909620699 /nfs/dbraw/zinc/62/06/99/909620699.db2.gz MPLRFFZWOLDOTM-FZKCQIBNSA-N 2 0 291.439 1.319 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189870644 921683916 /nfs/dbraw/zinc/68/39/16/921683916.db2.gz BYVNBSRVVIHNGC-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C[C@@H](CCCC#N)[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001172497928 911733556 /nfs/dbraw/zinc/73/35/56/911733556.db2.gz HFQPJERMYZBRHD-HRCADAONSA-N 2 0 278.444 1.779 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001106905623 915255430 /nfs/dbraw/zinc/25/54/30/915255430.db2.gz ZEWQBYVZHNNBHJ-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001179587305 915888523 /nfs/dbraw/zinc/88/85/23/915888523.db2.gz YDGDLQALNLYQCZ-OAHLLOKOSA-N 2 0 279.428 1.228 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001179978484 916100713 /nfs/dbraw/zinc/10/07/13/916100713.db2.gz CFLJPOSAQFUPQD-GJZGRUSLSA-N 2 0 279.428 1.321 20 30 CDEDRP C=C(C)C[NH2+]CCCCCCNC(=O)COCC[NH+](C)C ZINC001180060743 916138195 /nfs/dbraw/zinc/13/81/95/916138195.db2.gz NUEFTKAXEXRSFH-UHFFFAOYSA-N 2 0 299.459 1.407 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001180221640 916203431 /nfs/dbraw/zinc/20/34/31/916203431.db2.gz BTUVGUKGXMPLMM-STQMWFEESA-N 2 0 287.835 1.658 20 30 CDEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001182410727 917839593 /nfs/dbraw/zinc/83/95/93/917839593.db2.gz PGODHFORURRAAW-NVXWUHKLSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001107042258 917895698 /nfs/dbraw/zinc/89/56/98/917895698.db2.gz CVARQCVBLBAKFS-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107533998 918437057 /nfs/dbraw/zinc/43/70/57/918437057.db2.gz RKLFJEYBCZCDMG-NVXWUHKLSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001183940121 918760427 /nfs/dbraw/zinc/76/04/27/918760427.db2.gz PVIANAXEJHMSKK-OAHLLOKOSA-N 2 0 291.439 1.772 20 30 CDEDRP C=CCOc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001205210562 918954149 /nfs/dbraw/zinc/95/41/49/918954149.db2.gz PYKOWYSQTHXIAE-KRWDZBQOSA-N 2 0 290.407 1.927 20 30 CDEDRP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001001451921 936552110 /nfs/dbraw/zinc/55/21/10/936552110.db2.gz OUURTTRSDXQAOF-OAHLLOKOSA-N 2 0 277.412 1.263 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184584678 919201413 /nfs/dbraw/zinc/20/14/13/919201413.db2.gz GEWVOEJOUNZXNB-HZPDHXFCSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185071991 919411314 /nfs/dbraw/zinc/41/13/14/919411314.db2.gz CPMCOAJCCFTQJI-ZIAGYGMSSA-N 2 0 267.417 1.198 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001185751019 919754007 /nfs/dbraw/zinc/75/40/07/919754007.db2.gz NOHPEOKZQLTCQP-HOTGVXAUSA-N 2 0 295.471 1.977 20 30 CDEDRP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033144126 921908224 /nfs/dbraw/zinc/90/82/24/921908224.db2.gz RUUJRARQTGADIU-CVEARBPZSA-N 2 0 291.439 1.130 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192144205 922938198 /nfs/dbraw/zinc/93/81/98/922938198.db2.gz SFQGVATZJVXIMH-OAHLLOKOSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001192326331 923008048 /nfs/dbraw/zinc/00/80/48/923008048.db2.gz QCRHIBQJNWLMSS-CVEARBPZSA-N 2 0 293.455 1.663 20 30 CDEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001193630989 923819666 /nfs/dbraw/zinc/81/96/66/923819666.db2.gz QVKIGSWMXLJKMC-CQSZACIVSA-N 2 0 267.417 1.437 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079489637 924338458 /nfs/dbraw/zinc/33/84/58/924338458.db2.gz IFPLJRZFTPUQSD-MGPQQGTHSA-N 2 0 265.401 1.093 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001079707468 924410399 /nfs/dbraw/zinc/41/03/99/924410399.db2.gz GPHZMFOKTGLAPP-VNQPRFMTSA-N 2 0 291.439 1.341 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001080442597 924571738 /nfs/dbraw/zinc/57/17/38/924571738.db2.gz GVIJCILHHZQRHK-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001080552732 924595020 /nfs/dbraw/zinc/59/50/20/924595020.db2.gz IAXIEVLIBFYMQR-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152224075 924668319 /nfs/dbraw/zinc/66/83/19/924668319.db2.gz RDVNXOYHLJLBQE-UHFFFAOYSA-N 2 0 253.390 1.144 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001100827851 936940971 /nfs/dbraw/zinc/94/09/71/936940971.db2.gz WQWJVRTWXJDKQF-UHFFFAOYSA-N 2 0 287.835 1.565 20 30 CDEDRP C=CCOCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001100902001 936944074 /nfs/dbraw/zinc/94/40/74/936944074.db2.gz ZGUSGJCJECTHIV-UHFFFAOYSA-N 2 0 297.443 1.015 20 30 CDEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001101569597 936989739 /nfs/dbraw/zinc/98/97/39/936989739.db2.gz GZFIJSARHSHNON-UHFFFAOYSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)[C@H](C)C1 ZINC001102103426 937042010 /nfs/dbraw/zinc/04/20/10/937042010.db2.gz SZIQJVXONQMZBN-ZIAGYGMSSA-N 2 0 281.444 1.587 20 30 CDEDRP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001201239060 926227695 /nfs/dbraw/zinc/22/76/95/926227695.db2.gz GXRLQCDWYNXTSY-OAHLLOKOSA-N 2 0 297.443 1.110 20 30 CDEDRP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203327061 927142208 /nfs/dbraw/zinc/14/22/08/927142208.db2.gz XLBOJXWKVKMQPX-CABCVRRESA-N 2 0 291.439 1.369 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001086477065 927174029 /nfs/dbraw/zinc/17/40/29/927174029.db2.gz ROCGLWVESPRGSE-AJNGGQMLSA-N 2 0 279.428 1.245 20 30 CDEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169800105 928424871 /nfs/dbraw/zinc/42/48/71/928424871.db2.gz ZXHSMJCKBNXMPA-HUUCEWRRSA-N 2 0 281.444 1.921 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169808065 928446795 /nfs/dbraw/zinc/44/67/95/928446795.db2.gz BAHCRZXHFPVFFF-HUUCEWRRSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129357467 928608081 /nfs/dbraw/zinc/60/80/81/928608081.db2.gz LZKUFHWBWGIVQZ-UHFFFAOYSA-N 2 0 281.444 1.923 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001252489919 928722759 /nfs/dbraw/zinc/72/27/59/928722759.db2.gz ANVPGQILZQVFBQ-QGZVFWFLSA-N 2 0 296.455 1.937 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001112961608 929603640 /nfs/dbraw/zinc/60/36/40/929603640.db2.gz DJPTZJLRMFYJQR-OAHLLOKOSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001112969405 929611546 /nfs/dbraw/zinc/61/15/46/929611546.db2.gz DNXWQHYUQVSFLL-OAHLLOKOSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134993088 929990347 /nfs/dbraw/zinc/99/03/47/929990347.db2.gz DZIYZDSZYIJVTE-OLZOCXBDSA-N 2 0 284.363 1.454 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135316375 930151174 /nfs/dbraw/zinc/15/11/74/930151174.db2.gz VDXQPZQZDNUNIH-ZIAGYGMSSA-N 2 0 267.417 1.224 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135934553 930549103 /nfs/dbraw/zinc/54/91/03/930549103.db2.gz KMBQRJFMVCBDES-QWHCGFSZSA-N 2 0 290.411 1.820 20 30 CDEDRP Cc1cc(Cl)c(C#N)c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001170899811 930698723 /nfs/dbraw/zinc/69/87/23/930698723.db2.gz XQZJSWCOZYABPU-JTQLQIEISA-N 2 0 253.737 1.351 20 30 CDEDRP N#C[C@@H]1C[C@H]([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246133246 931092338 /nfs/dbraw/zinc/09/23/38/931092338.db2.gz UPYOOPRUNAIFKU-MCIONIFRSA-N 2 0 262.401 1.142 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001091377679 932121655 /nfs/dbraw/zinc/12/16/55/932121655.db2.gz SQSHJFIGQUBFDA-YMAMQOFZSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CCCCCC[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001276041360 932462666 /nfs/dbraw/zinc/46/26/66/932462666.db2.gz WKJMOULMIMZVIJ-IRXDYDNUSA-N 2 0 295.471 1.679 20 30 CDEDRP C=CCCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001148754832 932788107 /nfs/dbraw/zinc/78/81/07/932788107.db2.gz ITRJPBAKGXYPNV-UHFFFAOYSA-N 2 0 291.439 1.583 20 30 CDEDRP C[N@H+]1CC=C(C[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC001120583829 937813664 /nfs/dbraw/zinc/81/36/64/937813664.db2.gz XAPXLDNPPDOHTI-ZDUSSCGKSA-N 2 0 251.374 1.139 20 30 CDEDRP CC[C@H](C)NC(=[NH2+])NC[C@@H](C)C[NH+]1CCCCC1 ZINC000303258597 935023601 /nfs/dbraw/zinc/02/36/01/935023601.db2.gz LBCILFYDVNWIMN-OLZOCXBDSA-N 2 0 254.422 1.811 20 30 CDEDRP C=C[C@@H](O)C[NH+]1CCN(CCC[NH+](CCC)CCC)CC1 ZINC001253585884 935270936 /nfs/dbraw/zinc/27/09/36/935270936.db2.gz DOBOHGNWCJRDNR-QGZVFWFLSA-N 2 0 297.487 1.663 20 30 CDEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001016830982 935624276 /nfs/dbraw/zinc/62/42/76/935624276.db2.gz YWSWEIGLRCDFQK-HUUCEWRRSA-N 2 0 289.423 1.075 20 30 CDEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001120835046 937840454 /nfs/dbraw/zinc/84/04/54/937840454.db2.gz URCSSUMCTNXGTL-LETWWHAPSA-N 2 0 289.423 1.121 20 30 CDEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001121261426 937864362 /nfs/dbraw/zinc/86/43/62/937864362.db2.gz UOSPXPQXPOZPSQ-LETWWHAPSA-N 2 0 291.439 1.223 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001121921634 937890430 /nfs/dbraw/zinc/89/04/30/937890430.db2.gz SFTBRTDBAWFNCX-ZIAGYGMSSA-N 2 0 265.401 1.271 20 30 CDEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158438312 938626283 /nfs/dbraw/zinc/62/62/83/938626283.db2.gz SSQRWYATHSOYIQ-OAHLLOKOSA-N 2 0 279.428 1.274 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001159148393 938706506 /nfs/dbraw/zinc/70/65/06/938706506.db2.gz FIPJCVYQQCFCMD-ZDUSSCGKSA-N 2 0 273.396 1.338 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001159154640 938706608 /nfs/dbraw/zinc/70/66/08/938706608.db2.gz ASNIZVWHLDNDAV-AWEZNQCLSA-N 2 0 287.423 1.728 20 30 CDEDRP N#Cc1ccc(C(F)(F)N[C@@H]([NH3+])CCC[NH3+])nc1Cl ZINC001159780294 938752098 /nfs/dbraw/zinc/75/20/98/938752098.db2.gz WYABWBNLBMHOMJ-SECBINFHSA-N 2 0 289.717 1.269 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NCCC[NH2+]CCC(C)C ZINC001160209255 938775154 /nfs/dbraw/zinc/77/51/54/938775154.db2.gz FSDRCLSOIIWVIE-HNNXBMFYSA-N 2 0 279.428 1.226 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160425955 938786503 /nfs/dbraw/zinc/78/65/03/938786503.db2.gz BBFFIVHFOPBTSK-AWEZNQCLSA-N 2 0 269.433 1.635 20 30 CDEDRP N#Cc1cncc(-n2cc(CC[NH3+])c3c[nH+]ccc32)n1 ZINC001160945842 938847840 /nfs/dbraw/zinc/84/78/40/938847840.db2.gz ORTGAZLYCVSOJU-UHFFFAOYSA-N 2 0 264.292 1.188 20 30 CDEDRP C#C[C@](C)([NH3+])C(=O)N(C1CCCC1)C1CC[NH+](C)CC1 ZINC001161454180 938904340 /nfs/dbraw/zinc/90/43/40/938904340.db2.gz SMCITQUXLPBILX-INIZCTEOSA-N 2 0 277.412 1.202 20 30 CDEDRP N#CCc1cc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)cc[nH+]1 ZINC001163064256 939187818 /nfs/dbraw/zinc/18/78/18/939187818.db2.gz WAZRNPLZGPQRHT-CQSZACIVSA-N 2 0 295.390 1.593 20 30 CDEDRP C[NH+](C)C[C@H]1CCCN1c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001165073067 939506716 /nfs/dbraw/zinc/50/67/16/939506716.db2.gz VGEZKQHQWDHBKY-CQSZACIVSA-N 2 0 299.422 1.519 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001165334141 939547476 /nfs/dbraw/zinc/54/74/76/939547476.db2.gz VOLFTVILGOZNCL-OAHLLOKOSA-N 2 0 291.439 1.370 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165777786 939577129 /nfs/dbraw/zinc/57/71/29/939577129.db2.gz XEBUTMBNPAZRFN-UHFFFAOYSA-N 2 0 267.417 1.390 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166009891 939590006 /nfs/dbraw/zinc/59/00/06/939590006.db2.gz BBFFIVHFOPBTSK-CQSZACIVSA-N 2 0 269.433 1.635 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001166448511 939609039 /nfs/dbraw/zinc/60/90/39/939609039.db2.gz UZCQZICJKUWVDL-CQSZACIVSA-N 2 0 269.433 1.779 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203622425 939697170 /nfs/dbraw/zinc/69/71/70/939697170.db2.gz ASGQRQQLXYVPHY-HUUCEWRRSA-N 2 0 291.439 1.369 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001203925353 939713971 /nfs/dbraw/zinc/71/39/71/939713971.db2.gz MYMISXNNVOKXFE-UHFFFAOYSA-N 2 0 267.417 1.483 20 30 CDEDRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccnc(C#N)c2)CC1 ZINC001206606883 940070591 /nfs/dbraw/zinc/07/05/91/940070591.db2.gz DZFNEMFWJWWYSD-UHFFFAOYSA-N 2 0 294.362 1.266 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001209659524 940624598 /nfs/dbraw/zinc/62/45/98/940624598.db2.gz FVVLYPINHLTIDU-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001209669637 940624878 /nfs/dbraw/zinc/62/48/78/940624878.db2.gz RFBATQGOTQOROV-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP Cc1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cnc1C#N ZINC001210262448 940676724 /nfs/dbraw/zinc/67/67/24/940676724.db2.gz FPQHCVFJHQUZCT-UHFFFAOYSA-N 2 0 294.362 1.810 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001215153222 940861516 /nfs/dbraw/zinc/86/15/16/940861516.db2.gz ISRMESPMUJIFED-CZUORRHYSA-N 2 0 296.374 1.408 20 30 CDEDRP CC[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000402195649 940890525 /nfs/dbraw/zinc/89/05/25/940890525.db2.gz BTQGRFACSWEVOF-VNQPRFMTSA-N 2 0 273.380 1.651 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223387226 941674920 /nfs/dbraw/zinc/67/49/20/941674920.db2.gz BWNQQQCIKPZNQN-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228365702 942305045 /nfs/dbraw/zinc/30/50/45/942305045.db2.gz HYISUKCCWYTUMA-CHWSQXEVSA-N 2 0 253.390 1.141 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228366012 942305609 /nfs/dbraw/zinc/30/56/09/942305609.db2.gz LLSGVACTWKFLPW-CHWSQXEVSA-N 2 0 287.835 1.708 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001228888190 942388370 /nfs/dbraw/zinc/38/83/70/942388370.db2.gz DUZAADMQNDRSIL-UHFFFAOYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCOCC[NH+]1CCC(NC(=O)C[NH+](CC)CC)CC1 ZINC001229679122 942510141 /nfs/dbraw/zinc/51/01/41/942510141.db2.gz QTLOEENKOHVJNM-UHFFFAOYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CC[NH2+]CCN1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001235069151 944038580 /nfs/dbraw/zinc/03/85/80/944038580.db2.gz KGXDJEQMLUGUKE-GFCCVEGCSA-N 2 0 291.361 1.911 20 30 CDEDRP C=CCC[C@H](C)[NH2+]C[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001258722928 945392164 /nfs/dbraw/zinc/39/21/64/945392164.db2.gz WNQIGFWBISRDOB-REWJHTLYSA-N 2 0 256.390 1.656 20 30 CDEDRP N#Cc1ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)cn1 ZINC001241428901 946265392 /nfs/dbraw/zinc/26/53/92/946265392.db2.gz XJEGEEZONHVKIF-UHFFFAOYSA-N 2 0 265.320 1.425 20 30 CDEDRP C=C(C)C(=O)NCCC[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254499825 947456514 /nfs/dbraw/zinc/45/65/14/947456514.db2.gz BTRPMEIJSGSJLP-CYBMUJFWSA-N 2 0 253.390 1.143 20 30 CDEDRP CC[C@@H]1C[C@H](NC(=[NH2+])c2ccc(C(=O)OC)cc2)CC[NH2+]1 ZINC001246302490 948093383 /nfs/dbraw/zinc/09/33/83/948093383.db2.gz ADDOKSAMVIIQKV-ZIAGYGMSSA-N 2 0 289.379 1.709 20 30 CDEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246310153 948096823 /nfs/dbraw/zinc/09/68/23/948096823.db2.gz ZECPQORCWMEXTG-XGUBFFRZSA-N 2 0 295.427 1.086 20 30 CDEDRP C#CCOCCOCC[NH2+][C@@H](C)CC[NH+](CC)CC ZINC001255952691 948135567 /nfs/dbraw/zinc/13/55/67/948135567.db2.gz WQUVBJKYZLTBAL-HNNXBMFYSA-N 2 0 270.417 1.363 20 30 CDEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246763603 948428071 /nfs/dbraw/zinc/42/80/71/948428071.db2.gz BWWKOWFOYPMMDA-JKSUJKDBSA-N 2 0 280.412 1.565 20 30 CDEDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2C1CCC(C#N)CC1 ZINC001256968165 948467689 /nfs/dbraw/zinc/46/76/89/948467689.db2.gz QJYGHSMIHJPLPP-SJJHQCBESA-N 2 0 290.455 1.779 20 30 CDEDRP C=C1C[C@@H]2CC([N@H+](C)CCN3CC[NH2+]CC3)C[C@H](C1)C2 ZINC001246871368 948495573 /nfs/dbraw/zinc/49/55/73/948495573.db2.gz RFUNEKODDHMZKU-SJPCQFCGSA-N 2 0 277.456 1.958 20 30 CDEDRP C=CCOC[C@H](O)C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001252472109 951325620 /nfs/dbraw/zinc/32/56/20/951325620.db2.gz NYVMMJNPEUNLLH-MRXNPFEDSA-N 2 0 291.395 1.076 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]C1CC[NH+](CC(C)(C)C)CC1 ZINC001252496162 951369893 /nfs/dbraw/zinc/36/98/93/951369893.db2.gz YMNKUATTWNPSMX-HNNXBMFYSA-N 2 0 284.444 1.650 20 30 CDEDRP C=C[C@@](C)(O)C[NH+]1CCN(c2cc(C)nc(C)n2)CC1 ZINC001252554039 951442729 /nfs/dbraw/zinc/44/27/29/951442729.db2.gz AIEMRDLDSUGKBU-OAHLLOKOSA-N 2 0 276.384 1.152 20 30 CDEDRP C=C[C@@](C)(O)C[NH2+][C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001252579089 951471183 /nfs/dbraw/zinc/47/11/83/951471183.db2.gz TYRNMSFSSRNYGW-LTIDMASMSA-N 2 0 272.392 1.643 20 30 CDEDRP C=C[C@](C)(O)C[NH2+]CC1CC[NH+](Cc2cccnc2)CC1 ZINC001252579654 951472424 /nfs/dbraw/zinc/47/24/24/951472424.db2.gz NWWCPYGJQQPRHP-KRWDZBQOSA-N 2 0 289.423 1.820 20 30 CDEDRP N#CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC001326473404 954398090 /nfs/dbraw/zinc/39/80/90/954398090.db2.gz JJOYBDYPQPAXAH-UKRRQHHQSA-N 2 0 259.353 1.806 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001421912283 955647483 /nfs/dbraw/zinc/64/74/83/955647483.db2.gz YIJQWRGKQDIJEN-STQMWFEESA-N 2 0 289.851 1.762 20 30 CDEDRP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001329887741 956163316 /nfs/dbraw/zinc/16/33/16/956163316.db2.gz OGFLXSJOFXZGPP-CVEARBPZSA-N 2 0 293.455 1.759 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001331615661 957170570 /nfs/dbraw/zinc/17/05/70/957170570.db2.gz LTFSUDWHTUXVNM-STQMWFEESA-N 2 0 255.406 1.339 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC001340267749 962852420 /nfs/dbraw/zinc/85/24/20/962852420.db2.gz WSROAIGWYIJWAI-CRWXNKLISA-N 2 0 265.401 1.256 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC001340350577 962903162 /nfs/dbraw/zinc/90/31/62/962903162.db2.gz XYUKSGDAIYSIKR-UONOGXRCSA-N 2 0 273.380 1.587 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC001341767612 963534951 /nfs/dbraw/zinc/53/49/51/963534951.db2.gz OOCURBSCMDLWCJ-CHWSQXEVSA-N 2 0 253.390 1.257 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001440594313 964115381 /nfs/dbraw/zinc/11/53/81/964115381.db2.gz TZEBFQHGIJDCKT-WCQYABFASA-N 2 0 299.846 1.517 20 30 CDEDRP C[NH+](C)CC#CC[NH2+]CCC(=O)Nc1ccccc1F ZINC001346237969 965005686 /nfs/dbraw/zinc/00/56/86/965005686.db2.gz TYAHGHLTZBHYFW-UHFFFAOYSA-N 2 0 277.343 1.309 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001353494468 968017087 /nfs/dbraw/zinc/01/70/87/968017087.db2.gz DRWHDJUUFHHDCJ-MELADBBJSA-N 2 0 265.401 1.413 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001100410842 968271214 /nfs/dbraw/zinc/27/12/14/968271214.db2.gz PPWWQNZMHHMBOE-UHFFFAOYSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001100418973 968291802 /nfs/dbraw/zinc/29/18/02/968291802.db2.gz KIPNPRLWPLOKNB-UYSNPLJNSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001100426625 968312705 /nfs/dbraw/zinc/31/27/05/968312705.db2.gz RXBOHBFOVWYGHW-NRXISQOPSA-N 2 0 279.428 1.080 20 30 CDEDRP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001507154372 975356713 /nfs/dbraw/zinc/35/67/13/975356713.db2.gz VMTVRGPZWYERKX-ZIAGYGMSSA-N 2 0 267.417 1.032 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001382587963 977312999 /nfs/dbraw/zinc/31/29/99/977312999.db2.gz FVVJBUDAYZBOHA-UHFFFAOYSA-N 2 0 287.835 1.660 20 30 CDEDRP C=C(C)C[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132410297 1163277806 /nfs/dbraw/zinc/27/78/06/1163277806.db2.gz LHJDVCDISJJKNR-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CCN(C[C@@H]1CCCC[C@@H]1C(=O)OC)C1CC[NH2+]CC1 ZINC001574667127 1170998199 /nfs/dbraw/zinc/99/81/99/1170998199.db2.gz MVTPEDMQZDHKCV-HOCLYGCPSA-N 2 0 292.423 1.653 20 30 CDEDRP CC#CC[C@@H]([NH3+])C(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC001574961973 1171063586 /nfs/dbraw/zinc/06/35/86/1171063586.db2.gz CBJPTXUBWIZRIH-UONOGXRCSA-N 2 0 267.417 1.354 20 30 CDEDRP C[N@H+](CCCCCC[NH3+])[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC001578465671 1171925655 /nfs/dbraw/zinc/92/56/55/1171925655.db2.gz IIARGKNSSCYQMG-OAHLLOKOSA-N 2 0 288.395 1.536 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635531927 361775083 /nfs/dbraw/zinc/77/50/83/361775083.db2.gz WRJANZQHUGGEBA-UHFFFAOYSA-N 2 0 279.428 1.485 20 30 CDEDRP N#CCCC1CC[NH+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000592438310 342692691 /nfs/dbraw/zinc/69/26/91/342692691.db2.gz JHBIXRUYZLSIIN-OAHLLOKOSA-N 2 0 292.427 1.199 20 30 CDEDRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CC[C@@H](C#N)C2)ccn1 ZINC000442816121 362092906 /nfs/dbraw/zinc/09/29/06/362092906.db2.gz DEJDHAVHHOZDIH-HIFRSBDPSA-N 2 0 288.395 1.804 20 30 CDEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000598721759 343884243 /nfs/dbraw/zinc/88/42/43/343884243.db2.gz ZIDJJHNQTFEWLL-GXTWGEPZSA-N 2 0 265.401 1.361 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247924680 346717967 /nfs/dbraw/zinc/71/79/67/346717967.db2.gz BLYGZXCEBIXAGW-ILXRZTDVSA-N 2 0 252.402 1.730 20 30 CDEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000264078882 362959395 /nfs/dbraw/zinc/95/93/95/362959395.db2.gz GTMQMZQJGZMGTF-LBPRGKRZSA-N 2 0 292.383 1.525 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629576844 363035172 /nfs/dbraw/zinc/03/51/72/363035172.db2.gz DFXSZYKIYWAFGY-KFWWJZLASA-N 2 0 268.401 1.014 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000271782439 191324486 /nfs/dbraw/zinc/32/44/86/191324486.db2.gz BRSDNOYRNOIXSE-UHFFFAOYSA-N 2 0 292.427 1.198 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@H](C[NH3+])OC)C(C)C ZINC000278336766 359579648 /nfs/dbraw/zinc/57/96/48/359579648.db2.gz XAUYXPVYNBAMRQ-HUUCEWRRSA-N 2 0 297.443 1.165 20 30 CDEDRP CC(C)[NH+]1CCN(CCCN(C)C[C@H](C)C#N)CC1 ZINC000337319782 360072176 /nfs/dbraw/zinc/07/21/76/360072176.db2.gz ALQNOQPBMJFTGF-OAHLLOKOSA-N 2 0 266.433 1.494 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000368613160 369535751 /nfs/dbraw/zinc/53/57/51/369535751.db2.gz MSNZSDIRDPNJBX-CQSZACIVSA-N 2 0 252.402 1.874 20 30 CDEDRP C[NH+]1CCN(c2cc[nH+]cc2N[C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000565695830 370508857 /nfs/dbraw/zinc/50/88/57/370508857.db2.gz NEMRQMWWVATBNC-ZIAGYGMSSA-N 2 0 285.395 1.938 20 30 CDEDRP C=CCOCCC[NH+]1CCC(N2CCOC[C@H]2C)CC1 ZINC000571819044 377545812 /nfs/dbraw/zinc/54/58/12/377545812.db2.gz ZDYWTHRSXODIOF-OAHLLOKOSA-N 2 0 282.428 1.764 20 30 CDEDRP C#CCOc1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000265845907 190212615 /nfs/dbraw/zinc/21/26/15/190212615.db2.gz HHPNLSIUXMXHAJ-UHFFFAOYSA-N 2 0 288.391 1.245 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000417536968 377900361 /nfs/dbraw/zinc/90/03/61/377900361.db2.gz YYJQQSFHBMEXCM-KBPBESRZSA-N 2 0 294.443 1.263 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000491710117 391229174 /nfs/dbraw/zinc/22/91/74/391229174.db2.gz QUOONQZFARLEIH-INIZCTEOSA-N 2 0 297.418 1.270 20 30 CDEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000305208536 391196501 /nfs/dbraw/zinc/19/65/01/391196501.db2.gz OWFRVTXLPAGTGY-GJZGRUSLSA-N 2 0 295.475 1.105 20 30 CDEDRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC2(C#N)CC2)CC1 ZINC000332134739 391342077 /nfs/dbraw/zinc/34/20/77/391342077.db2.gz KQEMULODLGWKEQ-ZDUSSCGKSA-N 2 0 265.401 1.315 20 30 CDEDRP C=CC[C@@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000656787165 413664832 /nfs/dbraw/zinc/66/48/32/413664832.db2.gz FBBDWGHBOSCGQQ-HUUCEWRRSA-N 2 0 279.428 1.472 20 30 CDEDRP CCCCNC(=[NH2+])NCc1ccccc1OCC[NH+](C)C ZINC000264095087 262869497 /nfs/dbraw/zinc/86/94/97/262869497.db2.gz MJYNYGWGEPXUQM-UHFFFAOYSA-N 2 0 292.427 1.831 20 30 CDEDRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCC#N)CC1 ZINC000069896971 290084372 /nfs/dbraw/zinc/08/43/72/290084372.db2.gz MOZVPTBGYADIER-ZDUSSCGKSA-N 2 0 253.390 1.315 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000171734778 329079469 /nfs/dbraw/zinc/07/94/69/329079469.db2.gz IRHNLSIPKVGWOB-CYBMUJFWSA-N 2 0 294.443 1.419 20 30 CDEDRP C[NH+]=C(NCC(C)(C)[NH+](C)C)NC[C@@]1(C)CCCO1 ZINC000261685182 329977658 /nfs/dbraw/zinc/97/76/58/329977658.db2.gz DNWSEOKRSBSCDV-CQSZACIVSA-N 2 0 270.421 1.061 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CCCO1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262504808 330018671 /nfs/dbraw/zinc/01/86/71/330018671.db2.gz ZOLHWYJYOURZTB-GJZGRUSLSA-N 2 0 294.443 1.301 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCOC(C)(C)C1 ZINC000263026490 330039223 /nfs/dbraw/zinc/03/92/23/330039223.db2.gz ASMKNLQRFZTRDY-KGLIPLIRSA-N 2 0 296.459 1.580 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1=CCCCC1 ZINC000263153249 330046136 /nfs/dbraw/zinc/04/61/36/330046136.db2.gz PSOQHTDLRYRSRX-AWEZNQCLSA-N 2 0 264.417 1.875 20 30 CDEDRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]([NH3+])CCCC#N)[C@H](C)C1 ZINC000424148400 330295063 /nfs/dbraw/zinc/29/50/63/330295063.db2.gz UIOMWHMAGOXNPJ-RDBSUJKOSA-N 2 0 280.416 1.196 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC000552919484 334350608 /nfs/dbraw/zinc/35/06/08/334350608.db2.gz GPEHNMDNTMTMFF-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP CCC#C[C@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000677047526 482458919 /nfs/dbraw/zinc/45/89/19/482458919.db2.gz DDXHOQFYDZBEQP-HNNXBMFYSA-N 2 0 264.413 1.833 20 30 CDEDRP C=CC[NH2+][C@@H](C)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001752913201 1161139148 /nfs/dbraw/zinc/13/91/48/1161139148.db2.gz INSGSCHMIOPRDB-GOEBONIOSA-N 2 0 289.423 1.960 20 30 CDEDRP C#CCCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000766940191 576147508 /nfs/dbraw/zinc/14/75/08/576147508.db2.gz MCRYQDICJBOMLJ-UHFFFAOYSA-N 2 0 277.456 1.890 20 30 CDEDRP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000981666493 612999945 /nfs/dbraw/zinc/99/99/45/612999945.db2.gz UTMBEEWAVVMJLT-OAHLLOKOSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000968780769 613001714 /nfs/dbraw/zinc/00/17/14/613001714.db2.gz IQNLNUNKRYMIIL-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968192794 613023827 /nfs/dbraw/zinc/02/38/27/613023827.db2.gz SOKHUOPIQHIFDV-GOEBONIOSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CC)C2)CC1 ZINC000981539869 613131546 /nfs/dbraw/zinc/13/15/46/613131546.db2.gz ACRKBHYMLDNTMV-HOTGVXAUSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000943333896 613224793 /nfs/dbraw/zinc/22/47/93/613224793.db2.gz KQDNPDLEMYCYBH-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000949862710 613260583 /nfs/dbraw/zinc/26/05/83/613260583.db2.gz KYTYIKNFOFKFHN-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972235600 613283246 /nfs/dbraw/zinc/28/32/46/613283246.db2.gz QMPXEEHQAAQYBC-OAHLLOKOSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000975036489 613341520 /nfs/dbraw/zinc/34/15/20/613341520.db2.gz JAMGIPFCYJGDMJ-CABCVRRESA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000970747369 613485496 /nfs/dbraw/zinc/48/54/96/613485496.db2.gz WKIMWBRAUGWCND-ZDUSSCGKSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000957331954 613503796 /nfs/dbraw/zinc/50/37/96/613503796.db2.gz CYPDSNOHQVOIPU-AWEZNQCLSA-N 2 0 265.401 1.049 20 30 CDEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000970047402 613661477 /nfs/dbraw/zinc/66/14/77/613661477.db2.gz JILFXUVZMBJVNJ-CYBMUJFWSA-N 2 0 277.412 1.237 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967232766 613732336 /nfs/dbraw/zinc/73/23/36/613732336.db2.gz VXZHWGUALCYKAX-HUUCEWRRSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942598237 613741719 /nfs/dbraw/zinc/74/17/19/613741719.db2.gz UOANILKJXOMGGF-DZGCQCFKSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947779243 613780887 /nfs/dbraw/zinc/78/08/87/613780887.db2.gz OEJSIYWNOWXZCA-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000974652988 613808225 /nfs/dbraw/zinc/80/82/25/613808225.db2.gz GCTZDKFNYXLCMN-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000968738298 613865342 /nfs/dbraw/zinc/86/53/42/613865342.db2.gz RLBMWVGKFXQUEH-HZSPNIEDSA-N 2 0 265.401 1.093 20 30 CDEDRP CC(C)CNC(=[NH2+])NCCC[NH+]1CCCCCC1 ZINC000104155532 617625644 /nfs/dbraw/zinc/62/56/44/617625644.db2.gz MUUPIUSJYPLYGG-UHFFFAOYSA-N 2 0 254.422 1.813 20 30 CDEDRP C[NH+]1CCC(C[NH+]2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000893597662 617639009 /nfs/dbraw/zinc/63/90/09/617639009.db2.gz MZQFKNBHHAZBKO-UHFFFAOYSA-N 2 0 299.422 1.417 20 30 CDEDRP C#Cc1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000896682430 620191520 /nfs/dbraw/zinc/19/15/20/620191520.db2.gz SMPFGEVKIHYTQQ-UHFFFAOYSA-N 2 0 287.407 1.233 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000911824373 629552626 /nfs/dbraw/zinc/55/26/26/629552626.db2.gz NNSJEGWFDHQFDA-AGIUHOORSA-N 2 0 253.390 1.256 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129417142 1162471311 /nfs/dbraw/zinc/47/13/11/1162471311.db2.gz LQZWWIKLFNOFFP-AWEZNQCLSA-N 2 0 267.417 1.531 20 30 CDEDRP CC(C)C[C@H](CNC(=[NH2+])NCC1CCC1)[NH+](C)C ZINC000104160415 1163076967 /nfs/dbraw/zinc/07/69/67/1163076967.db2.gz GTLSXVSMVCKXGY-CYBMUJFWSA-N 2 0 254.422 1.667 20 30 CDEDRP C#Cc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000809742657 1163081005 /nfs/dbraw/zinc/08/10/05/1163081005.db2.gz CTLHYXVYSOUZHW-UHFFFAOYSA-N 2 0 285.435 1.737 20 30 CDEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001088381545 1160391696 /nfs/dbraw/zinc/39/16/96/1160391696.db2.gz GYABKJMOGGIEAN-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132105235 1163174268 /nfs/dbraw/zinc/17/42/68/1163174268.db2.gz DDBOLQSSGBMRRF-KBPBESRZSA-N 2 0 277.412 1.073 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133090653 1163568029 /nfs/dbraw/zinc/56/80/29/1163568029.db2.gz JWFXEYXVJUXBBU-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C[NH+]1CCC(C(=O)NCC[NH2+]CC#Cc2ccccc2)CC1 ZINC001133285651 1163625705 /nfs/dbraw/zinc/62/57/05/1163625705.db2.gz BLSCUBHMWVRGQS-UHFFFAOYSA-N 2 0 299.418 1.086 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001690484253 1175479982 /nfs/dbraw/zinc/47/99/82/1175479982.db2.gz LVFFGZUVBXNULR-INIZCTEOSA-N 2 0 293.455 1.712 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001715355986 1179639016 /nfs/dbraw/zinc/63/90/16/1179639016.db2.gz OTSIYCCEIPXSPS-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001753358753 1184444493 /nfs/dbraw/zinc/44/44/93/1184444493.db2.gz SDRZJDMXOMQEOF-CYBMUJFWSA-N 2 0 276.384 1.227 20 30 CDEDRP C=C(C)CC[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001753416323 1184533761 /nfs/dbraw/zinc/53/37/61/1184533761.db2.gz ABDRGFCDISUJIG-UHFFFAOYSA-N 2 0 265.401 1.096 20 30 CDEDRP C=CC[NH+]1CCC[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001752788526 1184913699 /nfs/dbraw/zinc/91/36/99/1184913699.db2.gz LZEDBTVGTNUINY-CQSZACIVSA-N 2 0 267.417 1.342 20 30 CDEDRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccccc1 ZINC001752917142 1184965286 /nfs/dbraw/zinc/96/52/86/1184965286.db2.gz GNDMGWCUMLXTJT-DOTOQJQBSA-N 2 0 299.418 1.084 20 30 CDEDRP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001753007327 1184991706 /nfs/dbraw/zinc/99/17/06/1184991706.db2.gz JWWPUCRYSCEECY-CABCVRRESA-N 2 0 279.428 1.369 20 30 CDEDRP C=CC[N@H+](CC)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001753084735 1185049807 /nfs/dbraw/zinc/04/98/07/1185049807.db2.gz BEKCGPNGZMSBTF-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCC[N@@H+](CCCNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001753291851 1185144005 /nfs/dbraw/zinc/14/40/05/1185144005.db2.gz XTCWTITURGYBGS-UHFFFAOYSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001753329803 1185157858 /nfs/dbraw/zinc/15/78/58/1185157858.db2.gz DZEMXOSMBZOYTK-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001753559303 1185253862 /nfs/dbraw/zinc/25/38/62/1185253862.db2.gz NJOWFACFFAQLHT-HOTGVXAUSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001753794057 1185337392 /nfs/dbraw/zinc/33/73/92/1185337392.db2.gz JXIQMVHMJOJOOZ-LSDHHAIUSA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001754084483 1185453645 /nfs/dbraw/zinc/45/36/45/1185453645.db2.gz HFNICYCMMQXAQV-OAHLLOKOSA-N 2 0 279.428 1.322 20 30 CDEDRP CC#CC[NH2+]C/C=C\CNC(=O)CCC[NH+]1CCCC1 ZINC001754209378 1185505383 /nfs/dbraw/zinc/50/53/83/1185505383.db2.gz HQVSHXJNDMWZAP-PLNGDYQASA-N 2 0 277.412 1.148 20 30 CDEDRP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001754449442 1185623388 /nfs/dbraw/zinc/62/33/88/1185623388.db2.gz QVMGYRYESVAZIT-QEJZJMRPSA-N 2 0 279.428 1.387 20 30 CDEDRP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001754691078 1185707963 /nfs/dbraw/zinc/70/79/63/1185707963.db2.gz UPJYHZAPUZWZEI-HOCLYGCPSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001754710573 1185712591 /nfs/dbraw/zinc/71/25/91/1185712591.db2.gz INDLXJCWCCKDBU-GDBMZVCRSA-N 2 0 279.428 1.342 20 30 CDEDRP C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001755127449 1185825373 /nfs/dbraw/zinc/82/53/73/1185825373.db2.gz HGIBEXAALZUSOX-HNNXBMFYSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001755619637 1186014295 /nfs/dbraw/zinc/01/42/95/1186014295.db2.gz YCJVDNMEPOQHLR-HNNXBMFYSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CCCC[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001755861894 1186093622 /nfs/dbraw/zinc/09/36/22/1186093622.db2.gz MQNYTQWNOGMMRO-FHERZECASA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCNC(=[NH2+])NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000066245715 727149985 /nfs/dbraw/zinc/14/99/85/727149985.db2.gz DSRRCAGCGINYAH-JSGCOSHPSA-N 2 0 252.406 1.587 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000999481170 726012495 /nfs/dbraw/zinc/01/24/95/726012495.db2.gz CODAQBYMIOIPRT-HNNXBMFYSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1(C)C ZINC000996194907 726014283 /nfs/dbraw/zinc/01/42/83/726014283.db2.gz HQUNWOUEINTXHD-KKUMJFAQSA-N 2 0 293.455 1.729 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995918583 726021613 /nfs/dbraw/zinc/02/16/13/726021613.db2.gz WTDGNDIVMUSOCY-LSDHHAIUSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000999347333 726040210 /nfs/dbraw/zinc/04/02/10/726040210.db2.gz JFZRIVPEPFKKKR-JKSUJKDBSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033414595 726053006 /nfs/dbraw/zinc/05/30/06/726053006.db2.gz CUTBAFIYOPXUBR-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP CCCCCCCCNC(=[NH2+])NC[C@@]1(O)CC[N@H+](C)C1 ZINC000849019046 726066684 /nfs/dbraw/zinc/06/66/84/726066684.db2.gz DDQZUEDRBGBVIA-HNNXBMFYSA-N 2 0 284.448 1.527 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001016332280 726102448 /nfs/dbraw/zinc/10/24/48/726102448.db2.gz QPJDHRMSJWACGK-INIZCTEOSA-N 2 0 287.407 1.738 20 30 CDEDRP C[NH+]=C(NCC(C)(C)C[NH+](C)C)N1CC[C@]2(CCOC2)C1 ZINC000261990017 726105004 /nfs/dbraw/zinc/10/50/04/726105004.db2.gz RBDXQXAKZHRIPX-INIZCTEOSA-N 2 0 296.459 1.262 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001022809805 726109384 /nfs/dbraw/zinc/10/93/84/726109384.db2.gz TUBCENKWVXQICR-GASCZTMLSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CCC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052867390 726110520 /nfs/dbraw/zinc/11/05/20/726110520.db2.gz LXDRAEQQQDCINO-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001020937872 726155612 /nfs/dbraw/zinc/15/56/12/726155612.db2.gz BKDIKWHWDGFXPE-JOCQHMNTSA-N 2 0 288.395 1.574 20 30 CDEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052931776 726221481 /nfs/dbraw/zinc/22/14/81/726221481.db2.gz CIPYEYCZQFIBJF-KGLIPLIRSA-N 2 0 299.846 1.661 20 30 CDEDRP NC(=[NH2+])N=NC1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000781124001 726231881 /nfs/dbraw/zinc/23/18/81/726231881.db2.gz RUTAEIUKYLVWOK-UONOGXRCSA-N 2 0 285.395 1.758 20 30 CDEDRP C#CCSCC[NH2+]C[C@H](O)CN(C)Cc1ccccc1 ZINC000819095332 726244119 /nfs/dbraw/zinc/24/41/19/726244119.db2.gz FFRFATLIRROREM-INIZCTEOSA-N 2 0 292.448 1.435 20 30 CDEDRP CCC[N@H+](CC)CCNC(=[NH2+])N1CCSCC1 ZINC000304485842 726247040 /nfs/dbraw/zinc/24/70/40/726247040.db2.gz JYVOCVPVAOQRIV-UHFFFAOYSA-N 2 0 258.435 1.082 20 30 CDEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034526216 726281990 /nfs/dbraw/zinc/28/19/90/726281990.db2.gz VYXUTCPAPSRRMI-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023750885 726286613 /nfs/dbraw/zinc/28/66/13/726286613.db2.gz ZBDIPVNUUYXBIV-CABCVRRESA-N 2 0 279.428 1.342 20 30 CDEDRP C=C(Cl)CN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028315325 726319917 /nfs/dbraw/zinc/31/99/17/726319917.db2.gz IBIVKPNFOMWONA-CHWSQXEVSA-N 2 0 285.819 1.271 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005385897 726349750 /nfs/dbraw/zinc/34/97/50/726349750.db2.gz ZEFFDRKAPMZRJX-INIZCTEOSA-N 2 0 293.455 1.968 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001022360662 726366114 /nfs/dbraw/zinc/36/61/14/726366114.db2.gz DGVZHJAUTUGQEO-BETUJISGSA-N 2 0 297.830 1.604 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032042333 726387779 /nfs/dbraw/zinc/38/77/79/726387779.db2.gz AJVTXYJLTXHENM-CVEARBPZSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000999877553 726395153 /nfs/dbraw/zinc/39/51/53/726395153.db2.gz MIHBGJVJPIEGGN-UHFFFAOYSA-N 2 0 299.418 1.574 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993762745 726412822 /nfs/dbraw/zinc/41/28/22/726412822.db2.gz RJCNTQCCWKJAFJ-DZGCQCFKSA-N 2 0 279.428 1.483 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C ZINC001049369363 726804237 /nfs/dbraw/zinc/80/42/37/726804237.db2.gz NNDNGDAYDPUCKS-OAGGEKHMSA-N 2 0 289.423 1.169 20 30 CDEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCCCCC2)C1 ZINC000305068753 726817735 /nfs/dbraw/zinc/81/77/35/726817735.db2.gz NWEMMRUCLJWARI-CYBMUJFWSA-N 2 0 252.406 1.519 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034037396 726843804 /nfs/dbraw/zinc/84/38/04/726843804.db2.gz CODSUDZAQLLIGM-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000923419456 726846670 /nfs/dbraw/zinc/84/66/70/726846670.db2.gz AEASUOHWPSUSMP-YUELXQCFSA-N 2 0 289.379 1.013 20 30 CDEDRP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046197571 726865265 /nfs/dbraw/zinc/86/52/65/726865265.db2.gz MJVCIQOYBYOETK-ZFWWWQNUSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033098689 726867410 /nfs/dbraw/zinc/86/74/10/726867410.db2.gz JUVVYDFHNSYBPK-HRCADAONSA-N 2 0 293.455 1.826 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NCCC[NH+](C(C)C)C(C)C ZINC000304771826 726880675 /nfs/dbraw/zinc/88/06/75/726880675.db2.gz AGXBYSBLCPKERD-CYBMUJFWSA-N 2 0 272.437 1.435 20 30 CDEDRP C#CCC[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034490038 726886819 /nfs/dbraw/zinc/88/68/19/726886819.db2.gz IHEMVLKLCPRHKG-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP CC#CC[NH+]1CCC(N(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001006298735 726889367 /nfs/dbraw/zinc/88/93/67/726889367.db2.gz LBYBXGBFEXVBAW-UHFFFAOYSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001018928243 726895750 /nfs/dbraw/zinc/89/57/50/726895750.db2.gz RCCNVSCSZAKEFC-ZDUSSCGKSA-N 2 0 291.420 1.247 20 30 CDEDRP C[C@H](CNC(=[NH2+])N1CCSCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000261990278 726897103 /nfs/dbraw/zinc/89/71/03/726897103.db2.gz LQIWCIHUWSAHRW-QWHCGFSZSA-N 2 0 284.473 1.470 20 30 CDEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014723398 726904569 /nfs/dbraw/zinc/90/45/69/726904569.db2.gz OWLCEAHNBOZNDS-JKSUJKDBSA-N 2 0 291.439 1.463 20 30 CDEDRP C[NH+]=C(NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)NC1CC1 ZINC000103337918 726909627 /nfs/dbraw/zinc/90/96/27/726909627.db2.gz DDIBFJUWQMBZGM-NEPJUHHUSA-N 2 0 252.406 1.434 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001036227441 726921773 /nfs/dbraw/zinc/92/17/73/726921773.db2.gz XTYNNMPNJSCTIE-HOTGVXAUSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001036895699 726925303 /nfs/dbraw/zinc/92/53/03/726925303.db2.gz CRTVGAGMDNZJNW-CABCVRRESA-N 2 0 277.412 1.191 20 30 CDEDRP C[C@H]1CCCN(C(=[NH2+])NCC2CC[NH+](C)CC2)C1 ZINC000303863857 726940974 /nfs/dbraw/zinc/94/09/74/726940974.db2.gz APHGVFLLLKYCOF-LBPRGKRZSA-N 2 0 252.406 1.375 20 30 CDEDRP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001024367285 726949725 /nfs/dbraw/zinc/94/97/25/726949725.db2.gz ZFRLGBABSYQUDR-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989491258 726956863 /nfs/dbraw/zinc/95/68/63/726956863.db2.gz VGKOUVRJCYUBPC-UHFFFAOYSA-N 2 0 291.439 1.583 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC000996448188 726986632 /nfs/dbraw/zinc/98/66/32/726986632.db2.gz FUDAQVTVOQOBOU-HNNXBMFYSA-N 2 0 293.455 1.731 20 30 CDEDRP CN1CCC[NH+]=C1NCCC[N@H+](C)C1CCCCC1 ZINC000386535771 726998750 /nfs/dbraw/zinc/99/87/50/726998750.db2.gz BTLRPNSMNIVPCG-UHFFFAOYSA-N 2 0 266.433 1.922 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015655322 727032149 /nfs/dbraw/zinc/03/21/49/727032149.db2.gz NCVBJUQXMPZTIA-CQSZACIVSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015059222 727070427 /nfs/dbraw/zinc/07/04/27/727070427.db2.gz PGUUTPHNWRWVJQ-HUUCEWRRSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001032400901 727157730 /nfs/dbraw/zinc/15/77/30/727157730.db2.gz YKJAJONQQXJSIT-SOUVJXGZSA-N 2 0 277.412 1.330 20 30 CDEDRP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001052712283 727253522 /nfs/dbraw/zinc/25/35/22/727253522.db2.gz GPZWZPROIOHFFV-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[N@@H+](C)CCC[NH+]=C(NCc1ccccc1)N(C)C ZINC000849032460 727286236 /nfs/dbraw/zinc/28/62/36/727286236.db2.gz JFMKSXSFGTYHPJ-UHFFFAOYSA-N 2 0 286.423 1.649 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2cncc2C1 ZINC001038419176 727323258 /nfs/dbraw/zinc/32/32/58/727323258.db2.gz UNMPMXMZCKFNKN-UONOGXRCSA-N 2 0 288.395 1.212 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001019593245 727359897 /nfs/dbraw/zinc/35/98/97/727359897.db2.gz QMGPIFTXFJILAN-INIZCTEOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000992910201 727363704 /nfs/dbraw/zinc/36/37/04/727363704.db2.gz TYHQDJXMYJSAMG-HRCADAONSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCn2ccnc2)C1 ZINC001027514130 727368396 /nfs/dbraw/zinc/36/83/96/727368396.db2.gz CMUZFPBFUMJBMA-CQSZACIVSA-N 2 0 276.384 1.382 20 30 CDEDRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000923422819 727376832 /nfs/dbraw/zinc/37/68/32/727376832.db2.gz SSBKPCPAVINTJW-BFHYXJOUSA-N 2 0 259.353 1.307 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001023465612 727376916 /nfs/dbraw/zinc/37/69/16/727376916.db2.gz YBNAASWYTWRNOS-HNNXBMFYSA-N 2 0 289.423 1.076 20 30 CDEDRP C#CCC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001034395373 727381369 /nfs/dbraw/zinc/38/13/69/727381369.db2.gz XFYLBKJPYCFMAG-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC[C@@H](C)[NH+]1CCCCC1 ZINC000848995467 727393049 /nfs/dbraw/zinc/39/30/49/727393049.db2.gz KTPSTTXNLXOWSC-CYBMUJFWSA-N 2 0 278.400 1.819 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)c2cccc3nccn32)C1 ZINC001028687882 727405434 /nfs/dbraw/zinc/40/54/34/727405434.db2.gz YHHIUFIIDQLIBB-CQSZACIVSA-N 2 0 296.374 1.409 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001034721612 727406058 /nfs/dbraw/zinc/40/60/58/727406058.db2.gz OVGMOCUHLIYXRF-WKILWMFISA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001020591713 727417552 /nfs/dbraw/zinc/41/75/52/727417552.db2.gz STNRVBHVSWWEOH-JHEVNIALSA-N 2 0 285.819 1.173 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033421271 727418721 /nfs/dbraw/zinc/41/87/21/727418721.db2.gz WGXITOZZSNTHDH-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995895931 727445068 /nfs/dbraw/zinc/44/50/68/727445068.db2.gz NEDZJEJIPQCBTR-KGLIPLIRSA-N 2 0 279.428 1.339 20 30 CDEDRP CC[C@@H](C)NC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000303365987 727454998 /nfs/dbraw/zinc/45/49/98/727454998.db2.gz GZZGTAKPOWJYBQ-CHWSQXEVSA-N 2 0 254.422 1.810 20 30 CDEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001016830981 727462168 /nfs/dbraw/zinc/46/21/68/727462168.db2.gz YWSWEIGLRCDFQK-GJZGRUSLSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)Cn2ccnc2)CC[C@@H]1C ZINC001072121795 727465116 /nfs/dbraw/zinc/46/51/16/727465116.db2.gz BJKGGRXRVHVBRA-STQMWFEESA-N 2 0 262.357 1.038 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999379477 727472018 /nfs/dbraw/zinc/47/20/18/727472018.db2.gz YTKHIVAITUVVLA-ZIAGYGMSSA-N 2 0 299.846 1.660 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001034648224 727783448 /nfs/dbraw/zinc/78/34/48/727783448.db2.gz FQHRNQLZZMBHJJ-JYJNAYRXSA-N 2 0 291.439 1.531 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)CN2CCCC2)[C@H]1C ZINC000994405373 727788455 /nfs/dbraw/zinc/78/84/55/727788455.db2.gz IRZHUKQRXIZGHR-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001034273017 727797636 /nfs/dbraw/zinc/79/76/36/727797636.db2.gz YKIMVYHJQQLRKE-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001000690929 727819764 /nfs/dbraw/zinc/81/97/64/727819764.db2.gz XPHCQFVGIJXDLV-KGLIPLIRSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001027410042 727828400 /nfs/dbraw/zinc/82/84/00/727828400.db2.gz SBMTZRVMEJTSHS-HZPDHXFCSA-N 2 0 293.455 1.968 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015928594 727847567 /nfs/dbraw/zinc/84/75/67/727847567.db2.gz GYYYVNFCMGKUIK-INIZCTEOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000998794130 727949856 /nfs/dbraw/zinc/94/98/56/727949856.db2.gz MHYYNJPDHOHCKO-SSHXOBKSSA-N 2 0 293.455 1.872 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000989112147 727987222 /nfs/dbraw/zinc/98/72/22/727987222.db2.gz OAUAFRAYNLSFCV-JSGCOSHPSA-N 2 0 282.347 1.160 20 30 CDEDRP CN(C)C(NCc1ccccc1)=[NH+]CC[N@H+](C)C1CC1 ZINC000848997590 728012937 /nfs/dbraw/zinc/01/29/37/728012937.db2.gz SBZHMHWLFYSPHT-UHFFFAOYSA-N 2 0 274.412 1.788 20 30 CDEDRP C=C(Cl)CN1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001005178223 728088954 /nfs/dbraw/zinc/08/89/54/728088954.db2.gz HACZYCSWCJUJHL-CQSZACIVSA-N 2 0 299.846 1.756 20 30 CDEDRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000925893135 728157674 /nfs/dbraw/zinc/15/76/74/728157674.db2.gz LQNVXTVSTLYCQQ-JSGCOSHPSA-N 2 0 273.384 1.343 20 30 CDEDRP C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)CC3(C#N)CCC3)CC[C@H]21 ZINC000886310717 728258834 /nfs/dbraw/zinc/25/88/34/728258834.db2.gz SUSYPNLUYGDAKG-QLFBSQMISA-N 2 0 277.412 1.457 20 30 CDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(C[NH3+])c1)C2 ZINC000884006849 728282406 /nfs/dbraw/zinc/28/24/06/728282406.db2.gz FTPKPRKRMHCZCH-UYJPIKCFSA-N 2 0 284.363 1.223 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3cnc[nH]3)C[C@H]21 ZINC001042246727 728346565 /nfs/dbraw/zinc/34/65/65/728346565.db2.gz HZZHVQFDZJOGMP-DZGCQCFKSA-N 2 0 288.395 1.451 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015114723 728349089 /nfs/dbraw/zinc/34/90/89/728349089.db2.gz RLLHBJVFECXCRT-AWEZNQCLSA-N 2 0 284.363 1.715 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052870938 728368895 /nfs/dbraw/zinc/36/88/95/728368895.db2.gz ZMJGWGVTISRMMI-OAHLLOKOSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC001574908386 1167642467 /nfs/dbraw/zinc/64/24/67/1167642467.db2.gz LWLJCZQPNJTPDN-ZIAGYGMSSA-N 2 0 267.417 1.518 20 30 CDEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1cncn1C ZINC001176174105 913976238 /nfs/dbraw/zinc/97/62/38/913976238.db2.gz BESGCIBZRYIUHS-CQSZACIVSA-N 2 0 292.427 1.803 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176564005 914181532 /nfs/dbraw/zinc/18/15/32/914181532.db2.gz JPERPZCLOZKVHT-LSDHHAIUSA-N 2 0 279.428 1.226 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176738124 914233937 /nfs/dbraw/zinc/23/39/37/914233937.db2.gz OUQGPGVWOGCSEW-MRXNPFEDSA-N 2 0 293.455 1.760 20 30 CDEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001176760276 914262529 /nfs/dbraw/zinc/26/25/29/914262529.db2.gz SOHJSARZDZCVEB-OAHLLOKOSA-N 2 0 281.444 1.615 20 30 CDEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001104872619 899609683 /nfs/dbraw/zinc/60/96/83/899609683.db2.gz QOBFBVSKHVFQSF-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001028591165 902718924 /nfs/dbraw/zinc/71/89/24/902718924.db2.gz FJUJSBHUQVJTRR-HZPDHXFCSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188963822 921244267 /nfs/dbraw/zinc/24/42/67/921244267.db2.gz SGPAUPHTTRYFJZ-UONOGXRCSA-N 2 0 277.412 1.047 20 30 CDEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001088375570 907027052 /nfs/dbraw/zinc/02/70/52/907027052.db2.gz KUAHBOTYUGDBQT-JKSUJKDBSA-N 2 0 293.455 1.567 20 30 CDEDRP C#CC[NH+](C)C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000985803376 907140078 /nfs/dbraw/zinc/14/00/78/907140078.db2.gz FKUOROSAXYWSCM-GASCZTMLSA-N 2 0 291.439 1.415 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001168147553 907478809 /nfs/dbraw/zinc/47/88/09/907478809.db2.gz TZNNHYBNVCCHCI-CQSZACIVSA-N 2 0 279.428 1.390 20 30 CDEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203699804 921421048 /nfs/dbraw/zinc/42/10/48/921421048.db2.gz UBBPXLITNPKZJC-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]CC)CC2)CC1 ZINC001168320831 909022210 /nfs/dbraw/zinc/02/22/10/909022210.db2.gz RUXLICYLQSBDOL-UHFFFAOYSA-N 2 0 291.439 1.228 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036811631 909786885 /nfs/dbraw/zinc/78/68/85/909786885.db2.gz UAKKAKNBPWDNEI-CVEARBPZSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001088835641 910018761 /nfs/dbraw/zinc/01/87/61/910018761.db2.gz GXBNVQNZBSNKHB-HIFRSBDPSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)CC[N@@H+](C)CCC ZINC001171731540 910911148 /nfs/dbraw/zinc/91/11/48/910911148.db2.gz IJSJPDJMCKDPDT-UHFFFAOYSA-N 2 0 269.433 1.780 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)CCc1ncc[nH]1 ZINC001178345150 915352927 /nfs/dbraw/zinc/35/29/27/915352927.db2.gz CWIURCJANCRALB-UHFFFAOYSA-N 2 0 276.384 1.242 20 30 CDEDRP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001484101602 915434158 /nfs/dbraw/zinc/43/41/58/915434158.db2.gz MRDYUNADXLOISK-RDJZCZTQSA-N 2 0 293.455 1.424 20 30 CDEDRP CC[NH+](CC)CCCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000303695294 935040946 /nfs/dbraw/zinc/04/09/46/935040946.db2.gz DLVFGPXHEPLRAC-ZDUSSCGKSA-N 2 0 254.422 1.765 20 30 CDEDRP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111455297 936383728 /nfs/dbraw/zinc/38/37/28/936383728.db2.gz WTASSNAMEWABGJ-OAGGEKHMSA-N 2 0 289.423 1.217 20 30 CDEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001182486918 917936102 /nfs/dbraw/zinc/93/61/02/917936102.db2.gz YAJZUAKLYKFIIB-GDBMZVCRSA-N 2 0 279.428 1.036 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001183240642 918401834 /nfs/dbraw/zinc/40/18/34/918401834.db2.gz ODIWKSKLUVNQRJ-JKSUJKDBSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001203456347 918699838 /nfs/dbraw/zinc/69/98/38/918699838.db2.gz VYXSKYHKMCYKJF-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001032446344 919137106 /nfs/dbraw/zinc/13/71/06/919137106.db2.gz ZPHQOHOFNVZHNU-KKUMJFAQSA-N 2 0 277.412 1.188 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1C ZINC001185336736 919555665 /nfs/dbraw/zinc/55/56/65/919555665.db2.gz KHIDCMIYBZDWJZ-LSDHHAIUSA-N 2 0 279.428 1.036 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001185536740 919664409 /nfs/dbraw/zinc/66/44/09/919664409.db2.gz OXWJNBWNZAYENJ-LSDHHAIUSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001185609219 919677383 /nfs/dbraw/zinc/67/73/83/919677383.db2.gz GEIHPVWCQKEBIU-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001185609221 919677729 /nfs/dbraw/zinc/67/77/29/919677729.db2.gz GEIHPVWCQKEBIU-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000999402653 919752927 /nfs/dbraw/zinc/75/29/27/919752927.db2.gz IIHKYAKCAPJELO-NFOMZHRRSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187843126 920684042 /nfs/dbraw/zinc/68/40/42/920684042.db2.gz UUIGPLYQRDWOCR-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001190675782 922132899 /nfs/dbraw/zinc/13/28/99/922132899.db2.gz WWNZWBNKFODJFW-MRXNPFEDSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033473781 922233842 /nfs/dbraw/zinc/23/38/42/922233842.db2.gz IJFNQFPYJVNMNR-HZPDHXFCSA-N 2 0 293.455 1.968 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001098219702 936746697 /nfs/dbraw/zinc/74/66/97/936746697.db2.gz PUFUVVHORIHQMH-FPCVCCKLSA-N 2 0 289.423 1.073 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001098214764 936746394 /nfs/dbraw/zinc/74/63/94/936746394.db2.gz WOPVSYIKZZBEFC-TUVASFSCSA-N 2 0 277.412 1.236 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC001191633762 922670463 /nfs/dbraw/zinc/67/04/63/922670463.db2.gz UKQVSNHUGRRFRU-AWEZNQCLSA-N 2 0 276.384 1.382 20 30 CDEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192144718 922940636 /nfs/dbraw/zinc/94/06/36/922940636.db2.gz VWCLWNCEPSHJIO-MRXNPFEDSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001192353852 923025426 /nfs/dbraw/zinc/02/54/26/923025426.db2.gz INFZAIMHPODGBA-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193279574 923585115 /nfs/dbraw/zinc/58/51/15/923585115.db2.gz PPWCKFFYDLJRGR-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487749 923726195 /nfs/dbraw/zinc/72/61/95/923726195.db2.gz DXUQVWYTEARCRC-OAHLLOKOSA-N 2 0 297.443 1.064 20 30 CDEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001194266076 924140036 /nfs/dbraw/zinc/14/00/36/924140036.db2.gz KENABMJITRBQSI-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001080311262 924538788 /nfs/dbraw/zinc/53/87/88/924538788.db2.gz YBSAXAYWIBQLSN-OWCLPIDISA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001100980925 936950962 /nfs/dbraw/zinc/95/09/62/936950962.db2.gz MNDOHUJKFCCHSF-SLTAFYQDSA-N 2 0 279.428 1.389 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001082699693 924985060 /nfs/dbraw/zinc/98/50/60/924985060.db2.gz QZVPIBLKGWOEFJ-BZUAXINKSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)CC[N@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970470 925014524 /nfs/dbraw/zinc/01/45/24/925014524.db2.gz GQJMLKWJWHYWQE-UHFFFAOYSA-N 2 0 281.444 1.829 20 30 CDEDRP C=CCCC[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001198098459 925323817 /nfs/dbraw/zinc/32/38/17/925323817.db2.gz WVEVDDMYWNAVHE-UHFFFAOYSA-N 2 0 279.428 1.583 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084905585 925488912 /nfs/dbraw/zinc/48/89/12/925488912.db2.gz DDLHJLXOOJJZRA-PMPSAXMXSA-N 2 0 291.439 1.580 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085202064 925796169 /nfs/dbraw/zinc/79/61/69/925796169.db2.gz MWBOAHTUIRXZRF-KLHDSHLOSA-N 2 0 293.455 1.920 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001085393735 925933059 /nfs/dbraw/zinc/93/30/59/925933059.db2.gz JGLNASATBNYSQQ-RRFJBIMHSA-N 2 0 279.428 1.531 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001085604117 926210110 /nfs/dbraw/zinc/21/01/10/926210110.db2.gz XKUNGJCKCFVZQN-OWCLPIDISA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001102525257 937063085 /nfs/dbraw/zinc/06/30/85/937063085.db2.gz SZBSQVGAHYTCNW-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001086371144 927043257 /nfs/dbraw/zinc/04/32/57/927043257.db2.gz SAHBMWLNZITIAH-YHUYYLMFSA-N 2 0 293.455 1.777 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103721523 937152612 /nfs/dbraw/zinc/15/26/12/937152612.db2.gz WGYHAPXAXOSGQF-OAGGEKHMSA-N 2 0 291.439 1.036 20 30 CDEDRP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CCC)C1 ZINC001111952325 937258415 /nfs/dbraw/zinc/25/84/15/937258415.db2.gz CLHZVSDHOJQNRW-RDJZCZTQSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C[C@@H](C)n1ccnc1 ZINC001134498367 929773658 /nfs/dbraw/zinc/77/36/58/929773658.db2.gz DOLBYAQXDFRWAQ-CYBMUJFWSA-N 2 0 264.373 1.506 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135475458 930219190 /nfs/dbraw/zinc/21/91/90/930219190.db2.gz APXRFLOBJVKMLR-HUUCEWRRSA-N 2 0 295.471 1.861 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135979324 930579468 /nfs/dbraw/zinc/57/94/68/930579468.db2.gz FLBZHFRVBIVRFU-ZIAGYGMSSA-N 2 0 267.417 1.224 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153388163 937443695 /nfs/dbraw/zinc/44/36/95/937443695.db2.gz UEZVFMJSSIPADI-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000104153979 931320785 /nfs/dbraw/zinc/32/07/85/931320785.db2.gz UEGRSJJPKADAJQ-STQMWFEESA-N 2 0 252.406 1.517 20 30 CDEDRP CCOCCCNC(=[NH2+])NCC[NH+]1CCCCCC1 ZINC000104168396 931322728 /nfs/dbraw/zinc/32/27/28/931322728.db2.gz MYBLGCLAMXXVRF-UHFFFAOYSA-N 2 0 270.421 1.193 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001091201414 931999599 /nfs/dbraw/zinc/99/95/99/931999599.db2.gz RIMJJMVDADYSEC-UIDBIOKJSA-N 2 0 293.455 1.777 20 30 CDEDRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C#N)cc1 ZINC001275828558 932071233 /nfs/dbraw/zinc/07/12/33/932071233.db2.gz AFOXJHMNUPGPOL-ROUUACIJSA-N 2 0 298.434 1.768 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171254344 932141921 /nfs/dbraw/zinc/14/19/21/932141921.db2.gz RDBNXVBSOWESLU-ZFWWWQNUSA-N 2 0 279.428 1.224 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092274820 932930328 /nfs/dbraw/zinc/93/03/28/932930328.db2.gz MYQKNFIXHAZQBL-WBVHZDCISA-N 2 0 291.439 1.439 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001206653728 937646793 /nfs/dbraw/zinc/64/67/93/937646793.db2.gz OMZAXQNSFOKIDK-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001111036241 933734823 /nfs/dbraw/zinc/73/48/23/933734823.db2.gz TYZZPLMPCSYYFT-MQYQWHSLSA-N 2 0 265.401 1.234 20 30 CDEDRP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CCC)C2 ZINC001111307766 934547088 /nfs/dbraw/zinc/54/70/88/934547088.db2.gz VZMVTKRRZGVLFK-OAGGEKHMSA-N 2 0 291.439 1.463 20 30 CDEDRP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])N(C)C2CC2)C1 ZINC000305840567 935225512 /nfs/dbraw/zinc/22/55/12/935225512.db2.gz YXXSLNAHVQRBTL-LBPRGKRZSA-N 2 0 252.406 1.516 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001018628639 935676920 /nfs/dbraw/zinc/67/69/20/935676920.db2.gz NWPKQCOBRJKOSC-NWDGAFQWSA-N 2 0 271.792 1.024 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001038340773 935742084 /nfs/dbraw/zinc/74/20/84/935742084.db2.gz PDOCVXMIGIJARX-HZPDHXFCSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[NH+]1CCC(C)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001045622007 935888218 /nfs/dbraw/zinc/88/82/18/935888218.db2.gz YYMIOKCIILLRSP-UHFFFAOYSA-N 2 0 289.423 1.076 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092427 938453107 /nfs/dbraw/zinc/45/31/07/938453107.db2.gz XXKNPKCLOWXJMU-MRXNPFEDSA-N 2 0 293.455 1.712 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158434371 938626043 /nfs/dbraw/zinc/62/60/43/938626043.db2.gz IMFLIONXIKQWHW-CQSZACIVSA-N 2 0 267.417 1.437 20 30 CDEDRP N#Cc1nc(N[C@H]([NH3+])CCC[NH3+])c(Cl)cc1Cl ZINC001159789036 938753683 /nfs/dbraw/zinc/75/36/83/938753683.db2.gz PVCRPZFSBMTJOU-VIFPVBQESA-N 2 0 274.155 1.696 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001159907540 938759708 /nfs/dbraw/zinc/75/97/08/938759708.db2.gz ABOMIQVOYGZTKM-HNNXBMFYSA-N 2 0 279.428 1.369 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001159916247 938760312 /nfs/dbraw/zinc/76/03/12/938760312.db2.gz PTHQCOLZLOYGTJ-MRXNPFEDSA-N 2 0 291.439 1.513 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159925512 938760628 /nfs/dbraw/zinc/76/06/28/938760628.db2.gz RSOUDCRUOFSVTA-AWEZNQCLSA-N 2 0 267.417 1.389 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)N(C)[C@H]2CCCC[C@H]2[NH3+])C1 ZINC001161060254 938867437 /nfs/dbraw/zinc/86/74/37/938867437.db2.gz AQKHBMCDYUDEOC-DYEKYZERSA-N 2 0 251.374 1.023 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161412948 938901454 /nfs/dbraw/zinc/90/14/54/938901454.db2.gz MWUMCSIEFDQWOC-AJNGGQMLSA-N 2 0 279.428 1.646 20 30 CDEDRP N#Cc1cnc(NCCC[NH2+]CCCC[NH3+])c(F)c1 ZINC001162291349 938971698 /nfs/dbraw/zinc/97/16/98/938971698.db2.gz CTPQFGWVZBYBAP-UHFFFAOYSA-N 2 0 265.336 1.223 20 30 CDEDRP N#Cc1ccc2ncnc(NCCC[NH2+]CCCC[NH3+])c2c1 ZINC001162290519 938972369 /nfs/dbraw/zinc/97/23/69/938972369.db2.gz YCCUTROLJCRAON-UHFFFAOYSA-N 2 0 298.394 1.632 20 30 CDEDRP N#Cc1cc2c(nc1NCCC[NH2+]CCCC[NH3+])CCC2 ZINC001162294781 938972872 /nfs/dbraw/zinc/97/28/72/938972872.db2.gz XNEHETAYNYJDEC-UHFFFAOYSA-N 2 0 287.411 1.572 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001164575828 939495368 /nfs/dbraw/zinc/49/53/68/939495368.db2.gz IVOUBJDWRJAWMD-LSDHHAIUSA-N 2 0 293.455 1.779 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001166744267 939634511 /nfs/dbraw/zinc/63/45/11/939634511.db2.gz OGHCCQROQHHNCY-UHFFFAOYSA-N 2 0 269.433 1.636 20 30 CDEDRP C#Cc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001205240596 939840784 /nfs/dbraw/zinc/84/07/84/939840784.db2.gz MBQBJFJTXOMBIV-INIZCTEOSA-N 2 0 258.365 1.344 20 30 CDEDRP N#CCc1ccccc1C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205247928 939842198 /nfs/dbraw/zinc/84/21/98/939842198.db2.gz KZHJFHBHWZBXJX-INIZCTEOSA-N 2 0 273.380 1.428 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001205524596 939895066 /nfs/dbraw/zinc/89/50/66/939895066.db2.gz RCNNYSWXNBRKPP-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCN(CC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1)C(=O)OCC ZINC001205599959 939907797 /nfs/dbraw/zinc/90/77/97/939907797.db2.gz ATCSYOBGQQQEAL-LSDHHAIUSA-N 2 0 297.443 1.938 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001205625538 939909783 /nfs/dbraw/zinc/90/97/83/939909783.db2.gz UJHPPEKYKJQMPD-UHFFFAOYSA-N 2 0 298.390 1.962 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001206073581 939974816 /nfs/dbraw/zinc/97/48/16/939974816.db2.gz DHIPHYSVHDZYIN-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001206929111 940113703 /nfs/dbraw/zinc/11/37/03/940113703.db2.gz UZDMNZDQYIILJS-UHFFFAOYSA-N 2 0 265.401 1.096 20 30 CDEDRP C=CCN1CC[C@@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001207435865 940195384 /nfs/dbraw/zinc/19/53/84/940195384.db2.gz YOJHLWVMYQGSQA-QGZVFWFLSA-N 2 0 291.439 1.487 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208013676 940278306 /nfs/dbraw/zinc/27/83/06/940278306.db2.gz JAZIVAVBKKXGQV-HOTGVXAUSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001208423161 940329669 /nfs/dbraw/zinc/32/96/69/940329669.db2.gz FZQGBFJOSYKRQU-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208515552 940336677 /nfs/dbraw/zinc/33/66/77/940336677.db2.gz SXJHCCAXIYGPSV-RBSFLKMASA-N 2 0 279.428 1.032 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001208574597 940343439 /nfs/dbraw/zinc/34/34/39/940343439.db2.gz BFINPXKUHRLRHT-BZUAXINKSA-N 2 0 293.455 1.567 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210674089 940705507 /nfs/dbraw/zinc/70/55/07/940705507.db2.gz NBWAFDMKFGLYTR-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP N#Cc1ccc([C@H](O)CN2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000402237244 940891411 /nfs/dbraw/zinc/89/14/11/940891411.db2.gz FYDOPJXWRFRKFQ-HZPDHXFCSA-N 2 0 271.364 1.277 20 30 CDEDRP N#Cc1sccc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218624509 941247189 /nfs/dbraw/zinc/24/71/89/941247189.db2.gz KEPFCJVZKRPAJY-QMMMGPOBSA-N 2 0 252.343 1.015 20 30 CDEDRP C[C@H](C#N)c1ccc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])cc1 ZINC001218870821 941282052 /nfs/dbraw/zinc/28/20/52/941282052.db2.gz BTWVFMFTPAFGOL-RISCZKNCSA-N 2 0 274.368 1.708 20 30 CDEDRP CC(C)C[C@H](C#N)NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220700806 941465079 /nfs/dbraw/zinc/46/50/79/941465079.db2.gz OXJXPXGFSIIMLJ-OLZOCXBDSA-N 2 0 268.405 1.100 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221960721 941556715 /nfs/dbraw/zinc/55/67/15/941556715.db2.gz FKYXZMVHLZMKHL-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001226824054 942077726 /nfs/dbraw/zinc/07/77/26/942077726.db2.gz JLTQFCOBGDQSHQ-HUUCEWRRSA-N 2 0 277.412 1.121 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228354971 942304131 /nfs/dbraw/zinc/30/41/31/942304131.db2.gz FWICDASPGHQOIF-ZIAGYGMSSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC001230093499 942583740 /nfs/dbraw/zinc/58/37/40/942583740.db2.gz FPHZGLQDPPMUOS-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C#C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC001232362487 943244159 /nfs/dbraw/zinc/24/41/59/943244159.db2.gz WYOLDPYPCBYFIZ-INIZCTEOSA-N 2 0 298.434 1.679 20 30 CDEDRP C=CC[NH2+]CCN1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235154852 944072739 /nfs/dbraw/zinc/07/27/39/944072739.db2.gz WPLKBSULLDYJNA-HNNXBMFYSA-N 2 0 251.418 1.616 20 30 CDEDRP C=CC[NH2+]CCN1CC[NH2+]C[C@H]1c1cccs1 ZINC001236111563 944407162 /nfs/dbraw/zinc/40/71/62/944407162.db2.gz KVHNQPCJYGXBSD-LBPRGKRZSA-N 2 0 251.399 1.470 20 30 CDEDRP COc1cc(C#N)ccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321729 944469586 /nfs/dbraw/zinc/46/95/86/944469586.db2.gz LRXKHKMTRDOZCI-GASCZTMLSA-N 2 0 285.391 1.998 20 30 CDEDRP CC[C@@H](CC#N)[NH2+]CCCOCCOCCC[NH3+] ZINC001255156394 947756486 /nfs/dbraw/zinc/75/64/86/947756486.db2.gz OPDYSISWZHFBMW-ZDUSSCGKSA-N 2 0 257.378 1.040 20 30 CDEDRP CCCCCCCC[C@@H](O)C[NH2+][C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001245981930 947877120 /nfs/dbraw/zinc/87/71/20/947877120.db2.gz HIHYZOTWUMIMSC-KLHDSHLOSA-N 2 0 284.444 1.674 20 30 CDEDRP COC(=O)c1ccc(C(=[NH2+])NC2C[C@@H]3C=C[C@H](C2)[NH2+]3)cc1 ZINC001246306434 948095407 /nfs/dbraw/zinc/09/54/07/948095407.db2.gz VZWYQNKVXZQZOL-PBWFPOADSA-N 2 0 285.347 1.238 20 30 CDEDRP CC[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1cccc(C#N)c1 ZINC001246318435 948101471 /nfs/dbraw/zinc/10/14/71/948101471.db2.gz UHIOSKXVQHDWCY-HZPDHXFCSA-N 2 0 284.407 1.693 20 30 CDEDRP C[C@@H](CCCC#N)[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246597299 948331288 /nfs/dbraw/zinc/33/12/88/948331288.db2.gz SKNDLSLNHNSGSN-ZDUSSCGKSA-N 2 0 250.390 1.096 20 30 CDEDRP N#C[C@@H]1C[C@H]([N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CCN1 ZINC001246603831 948337476 /nfs/dbraw/zinc/33/74/76/948337476.db2.gz MPHBPRYSFPZWEA-BBWFWOEESA-N 2 0 290.455 1.876 20 30 CDEDRP C#CCOC[C@H](O)C[NH2+]C1CC[NH+](C(CC)CC)CC1 ZINC001251896393 950931314 /nfs/dbraw/zinc/93/13/14/950931314.db2.gz IFINXDXUYPDMNJ-MRXNPFEDSA-N 2 0 282.428 1.240 20 30 CDEDRP C#CCOC[C@H](O)C[NH2+][C@H]1CC[C@@H]([NH+](CC)CC)CC1 ZINC001251906615 950947324 /nfs/dbraw/zinc/94/73/24/950947324.db2.gz IFWQXIOKOSXKIV-OWCLPIDISA-N 2 0 282.428 1.240 20 30 CDEDRP C=CCOC[C@@H](O)C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001252472108 951325210 /nfs/dbraw/zinc/32/52/10/951325210.db2.gz NYVMMJNPEUNLLH-INIZCTEOSA-N 2 0 291.395 1.076 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]CC1CC[NH+](CC(C)(C)C)CC1 ZINC001252495460 951370958 /nfs/dbraw/zinc/37/09/58/951370958.db2.gz OQMJGVPMNKRUMF-MRXNPFEDSA-N 2 0 298.471 1.898 20 30 CDEDRP C=CCC[C@H](O)CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001252592587 951487021 /nfs/dbraw/zinc/48/70/21/951487021.db2.gz WUYYYAUEUCMCGD-AWEZNQCLSA-N 2 0 290.411 1.572 20 30 CDEDRP C=C[C@H](O)C[NH2+]CC1CC[NH+](CC(C)(C)C)CC1 ZINC001253607102 951992276 /nfs/dbraw/zinc/99/22/76/951992276.db2.gz RSAMJKQKLYOXKW-AWEZNQCLSA-N 2 0 254.418 1.881 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001370269589 960037473 /nfs/dbraw/zinc/03/74/73/960037473.db2.gz YUZKMSKTCIOAQQ-STQMWFEESA-N 2 0 287.835 1.564 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001437203398 962735910 /nfs/dbraw/zinc/73/59/10/962735910.db2.gz IAEAIPMQGVGLEV-LBPRGKRZSA-N 2 0 289.851 1.811 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC(CC[NH2+]C)CC1 ZINC001340904777 963180878 /nfs/dbraw/zinc/18/08/78/963180878.db2.gz BIXUYLAYFDFIBL-AWEZNQCLSA-N 2 0 267.417 1.518 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001373796350 973645667 /nfs/dbraw/zinc/64/56/67/973645667.db2.gz MPDKXMNZOVGRIZ-STQMWFEESA-N 2 0 289.851 1.810 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001378582386 975403432 /nfs/dbraw/zinc/40/34/32/975403432.db2.gz TZPAEKDJAXFENC-ZYHUDNBSSA-N 2 0 275.824 1.421 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001402536486 976343137 /nfs/dbraw/zinc/34/31/37/976343137.db2.gz NBBTZIQQUFDBHH-JOCQHMNTSA-N 2 0 287.835 1.708 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001391940824 977156503 /nfs/dbraw/zinc/15/65/03/977156503.db2.gz VUASKWQXJXSKHH-RYUDHWBXSA-N 2 0 287.835 1.423 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001133074150 1163552393 /nfs/dbraw/zinc/55/23/93/1163552393.db2.gz YNAMDDDUGZMMBZ-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635531980 361776177 /nfs/dbraw/zinc/77/61/77/361776177.db2.gz XJYHCDXFSDEXII-GFCCVEGCSA-N 2 0 253.390 1.093 20 30 CDEDRP N#C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000442765385 362088692 /nfs/dbraw/zinc/08/86/92/362088692.db2.gz JKUUMHCNPJDBRB-IIAWOOMASA-N 2 0 277.412 1.769 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000595984420 343211388 /nfs/dbraw/zinc/21/13/88/343211388.db2.gz SGVMQLMVZHUEQP-HNNXBMFYSA-N 2 0 292.427 1.246 20 30 CDEDRP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C)C2)cc1 ZINC000264091795 362964522 /nfs/dbraw/zinc/96/45/22/362964522.db2.gz LEHOQYRGYWSDSR-LLVKDONJSA-N 2 0 262.357 1.374 20 30 CDEDRP CC[C@@H](C)NC(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000264085465 362962814 /nfs/dbraw/zinc/96/28/14/362962814.db2.gz JGZRGBMXMXJFNO-GFCCVEGCSA-N 2 0 262.401 1.951 20 30 CDEDRP CCCCNC(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1 ZINC000264122955 362973731 /nfs/dbraw/zinc/97/37/31/362973731.db2.gz RJULRGTVLRVNGA-UHFFFAOYSA-N 2 0 292.427 1.831 20 30 CDEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CC[NH2+]CC1)CC2 ZINC000423180155 283198255 /nfs/dbraw/zinc/19/82/55/283198255.db2.gz IGZVDGOGNLRWFB-QGZVFWFLSA-N 2 0 284.407 1.430 20 30 CDEDRP C=CCNC(=O)[C@@H](C)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000247699719 361156664 /nfs/dbraw/zinc/15/66/64/361156664.db2.gz XLXGNTBBDZRWTI-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP COc1ccccc1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1C ZINC000170909570 365161021 /nfs/dbraw/zinc/16/10/21/365161021.db2.gz WIGHUEAXQVMEBC-ZDUSSCGKSA-N 2 0 276.384 1.194 20 30 CDEDRP CC[NH+](CC)[C@@H](CNC(=[NH2+])N(C)C)Cc1ccccc1 ZINC000170912898 365162577 /nfs/dbraw/zinc/16/25/77/365162577.db2.gz NJIPTGQPONZJEM-OAHLLOKOSA-N 2 0 276.428 1.816 20 30 CDEDRP COc1ccccc1CNC(=[NH2+])NCCC[NH+](C)C ZINC000170905083 370201553 /nfs/dbraw/zinc/20/15/53/370201553.db2.gz FZHWOETWQGUORD-UHFFFAOYSA-N 2 0 264.373 1.051 20 30 CDEDRP CN(C)CC(C)(C)[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411813036 374183658 /nfs/dbraw/zinc/18/36/58/374183658.db2.gz BTZWCFBBHVVALM-UHFFFAOYSA-N 2 0 288.395 1.817 20 30 CDEDRP C=CCC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000132292345 375499534 /nfs/dbraw/zinc/49/95/34/375499534.db2.gz MULDEDLBFICRLY-HUUCEWRRSA-N 2 0 254.418 1.977 20 30 CDEDRP COCC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248721381 377312616 /nfs/dbraw/zinc/31/26/16/377312616.db2.gz CIPXSMPHUKSIDQ-KGLIPLIRSA-N 2 0 253.390 1.627 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000417528953 377877293 /nfs/dbraw/zinc/87/72/93/377877293.db2.gz PLVPMCBDANSNHM-CQSZACIVSA-N 2 0 282.432 1.309 20 30 CDEDRP C#Cc1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000289964806 378355972 /nfs/dbraw/zinc/35/59/72/378355972.db2.gz BMDUKQYVXYKQTM-INIZCTEOSA-N 2 0 285.435 1.641 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)[C@@H](c1ccccc1)N(C)C ZINC000293856461 378598308 /nfs/dbraw/zinc/59/83/08/378598308.db2.gz AXEYAIODUIZNCC-MRXNPFEDSA-N 2 0 287.407 1.361 20 30 CDEDRP CCCNC(=[NH2+])NCCN(C)Cc1ccc(F)cc1 ZINC000267318274 391191710 /nfs/dbraw/zinc/19/17/10/391191710.db2.gz MUZRBJSOKUYHPK-UHFFFAOYSA-N 2 0 266.364 1.572 20 30 CDEDRP CN(CC[N@H+](C)[C@H]1CC[C@H](C#N)C1)C1CC[NH+](C)CC1 ZINC000339053780 391247638 /nfs/dbraw/zinc/24/76/38/391247638.db2.gz IUDKSKUIIXYHFV-HOCLYGCPSA-N 2 0 278.444 1.636 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375901092 391204958 /nfs/dbraw/zinc/20/49/58/391204958.db2.gz ATLZIIKVGGPPPA-OAHLLOKOSA-N 2 0 251.418 1.663 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC(C)(C)C[NH3+])C(C)C ZINC000417072807 391342743 /nfs/dbraw/zinc/34/27/43/391342743.db2.gz XHTQWWOGAKENJI-CQSZACIVSA-N 2 0 296.459 1.722 20 30 CDEDRP CN1CC[NH+]=C1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000262663280 391808267 /nfs/dbraw/zinc/80/82/67/391808267.db2.gz NOVBCFLJLYAWRR-INIZCTEOSA-N 2 0 286.423 1.442 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334363636 392109366 /nfs/dbraw/zinc/10/93/66/392109366.db2.gz LWBFPSINAKAPPS-HUUCEWRRSA-N 2 0 251.418 1.520 20 30 CDEDRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1C#N ZINC000261728150 140381715 /nfs/dbraw/zinc/38/17/15/140381715.db2.gz KXEUVQCIWNLTHX-ZNMIVQPWSA-N 2 0 271.364 1.736 20 30 CDEDRP C[NH2+]CCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423199378 397602269 /nfs/dbraw/zinc/60/22/69/397602269.db2.gz JYRRLLSDRNJQEW-UHFFFAOYSA-N 2 0 272.396 1.726 20 30 CDEDRP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000129111206 260383472 /nfs/dbraw/zinc/38/34/72/260383472.db2.gz NYVJDKSLRNHIJQ-CABCVRRESA-N 2 0 292.427 1.165 20 30 CDEDRP CN(C(=[NH2+])NCc1cccc(C[NH+](C)C)c1)C1CC1 ZINC000273377644 263016346 /nfs/dbraw/zinc/01/63/46/263016346.db2.gz WUBAPBLWBWVXAO-UHFFFAOYSA-N 2 0 260.385 1.657 20 30 CDEDRP C[NH+]=C(NCc1nccs1)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261945712 328143227 /nfs/dbraw/zinc/14/32/27/328143227.db2.gz FTKZJTXVYMCDIU-JQWIXIFHSA-N 2 0 293.440 1.291 20 30 CDEDRP C[NH+]=C(NCc1cccn1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261946571 328143256 /nfs/dbraw/zinc/14/32/56/328143256.db2.gz GAFQLDCJBSKVCL-IUODEOHRSA-N 2 0 289.427 1.173 20 30 CDEDRP C[NH+]=C(NCc1ccccn1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261948669 328143291 /nfs/dbraw/zinc/14/32/91/328143291.db2.gz GQNKUWTZFXJIJW-SWLSCSKDSA-N 2 0 287.411 1.229 20 30 CDEDRP COCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000267398074 328178175 /nfs/dbraw/zinc/17/81/75/328178175.db2.gz FIPOADNJJCHXFW-OAHLLOKOSA-N 2 0 290.411 1.202 20 30 CDEDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)cn2)CC1 ZINC000559075223 327140066 /nfs/dbraw/zinc/14/00/66/327140066.db2.gz ADDCULGZCOUDBW-GOEBONIOSA-N 2 0 299.422 1.615 20 30 CDEDRP C[NH+](CC#CC[N@@H+](C)C1CCOCC1)C1CCOCC1 ZINC000560160370 327287578 /nfs/dbraw/zinc/28/75/78/327287578.db2.gz XEOYEMDRQIQHCE-UHFFFAOYSA-N 2 0 280.412 1.211 20 30 CDEDRP CN1CC[NH+]=C1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000262667502 330025510 /nfs/dbraw/zinc/02/55/10/330025510.db2.gz PJRHPOAMPVWKEE-AWEZNQCLSA-N 2 0 264.417 1.675 20 30 CDEDRP CN(C)C(=[NH+]CC1CC[NH+](C2CC2)CC1)N(C)C ZINC000262818414 330033923 /nfs/dbraw/zinc/03/39/23/330033923.db2.gz WFOBRYXIKBPMHR-UHFFFAOYSA-N 2 0 252.406 1.340 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(C#N)CCC1 ZINC000263175008 330047362 /nfs/dbraw/zinc/04/73/62/330047362.db2.gz SPHJFPFBPYBCTI-LBPRGKRZSA-N 2 0 263.389 1.069 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CCC1(C)C ZINC000263190203 330048241 /nfs/dbraw/zinc/04/82/41/330048241.db2.gz YDMMMXRZWLOXPO-NEPJUHHUSA-N 2 0 252.406 1.564 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CN[C@H](C)C1C[NH2+]C1)C(C)C ZINC000422825751 330156466 /nfs/dbraw/zinc/15/64/66/330156466.db2.gz BAKFWAIADPBAOI-ZBFHGGJFSA-N 2 0 265.445 1.883 20 30 CDEDRP C=CC[C@H](CO)C[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423016673 330165409 /nfs/dbraw/zinc/16/54/09/330165409.db2.gz NDQORVBJAQUCJL-KBPBESRZSA-N 2 0 298.427 1.082 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000424177148 330317536 /nfs/dbraw/zinc/31/75/36/330317536.db2.gz POSVNEANDRXGTL-CYBMUJFWSA-N 2 0 288.351 1.128 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](CC)CCC)CC1 ZINC000491732468 332313773 /nfs/dbraw/zinc/31/37/73/332313773.db2.gz BPIWFHDGKJXDHE-OAHLLOKOSA-N 2 0 293.455 1.568 20 30 CDEDRP CN1CC[NH+]=C1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261543087 334195749 /nfs/dbraw/zinc/19/57/49/334195749.db2.gz HKIDOARYZRMXMC-HNNXBMFYSA-N 2 0 272.396 1.400 20 30 CDEDRP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001755025209 1159504749 /nfs/dbraw/zinc/50/47/49/1159504749.db2.gz QESULWXAXSCAHO-GJZGRUSLSA-N 2 0 297.418 1.270 20 30 CDEDRP C#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001755042073 1159511052 /nfs/dbraw/zinc/51/10/52/1159511052.db2.gz ITWCJOOHTRNXTG-MRXNPFEDSA-N 2 0 293.455 1.522 20 30 CDEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC000677820108 482795463 /nfs/dbraw/zinc/79/54/63/482795463.db2.gz GLJJQLIDHCQSQB-OAHLLOKOSA-N 2 0 268.401 1.069 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105946495 1161008718 /nfs/dbraw/zinc/00/87/18/1161008718.db2.gz VWNYMRNATOPFGA-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001755319591 1185914136 /nfs/dbraw/zinc/91/41/36/1185914136.db2.gz JQEGSNQNMIIPTO-CABCVRRESA-N 2 0 279.428 1.319 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001755592953 1186004581 /nfs/dbraw/zinc/00/45/81/1186004581.db2.gz OLWFQGBEQVZJCI-UONOGXRCSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001113723254 1162266776 /nfs/dbraw/zinc/26/67/76/1162266776.db2.gz MMFLHBYEDKWDNT-UHFFFAOYSA-N 2 0 293.455 1.973 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000764575304 575921655 /nfs/dbraw/zinc/92/16/55/575921655.db2.gz JCSORDMPZQAJSJ-CYBMUJFWSA-N 2 0 253.390 1.047 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000763965746 576768868 /nfs/dbraw/zinc/76/88/68/576768868.db2.gz YHVSNDAFNZCWQH-UHFFFAOYSA-N 2 0 253.390 1.093 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC000747402324 576868774 /nfs/dbraw/zinc/86/87/74/576868774.db2.gz KLRKQGIFZXTTCJ-INIZCTEOSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001690040118 1175356669 /nfs/dbraw/zinc/35/66/69/1175356669.db2.gz IBLXOIDOUGLVGY-AWEZNQCLSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(=C)C)C2)CC1 ZINC000970792256 613129351 /nfs/dbraw/zinc/12/93/51/613129351.db2.gz HHRUQYIESLWHTL-MRXNPFEDSA-N 2 0 289.423 1.098 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]C(C)C)C2)CC1 ZINC000939810213 613129731 /nfs/dbraw/zinc/12/97/31/613129731.db2.gz LMQJEADDEKSCQI-GDBMZVCRSA-N 2 0 291.439 1.177 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000945180117 613131168 /nfs/dbraw/zinc/13/11/68/613131168.db2.gz KQLUPDMSFVFMAU-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948388852 613162063 /nfs/dbraw/zinc/16/20/63/613162063.db2.gz LDMPOEDKXSIPQT-BZUAXINKSA-N 2 0 291.439 1.273 20 30 CDEDRP C#CC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000943333897 613224724 /nfs/dbraw/zinc/22/47/24/613224724.db2.gz KQDNPDLEMYCYBH-GOEBONIOSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000968644576 613384971 /nfs/dbraw/zinc/38/49/71/613384971.db2.gz BOFJLPJGAUOMJH-KGLIPLIRSA-N 2 0 299.846 1.802 20 30 CDEDRP C=C(CC[NH+](C)C)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000890878861 617344224 /nfs/dbraw/zinc/34/42/24/617344224.db2.gz JICQWOQNDJEFOG-UHFFFAOYSA-N 2 0 269.433 1.541 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000981369138 613492217 /nfs/dbraw/zinc/49/22/17/613492217.db2.gz COYZUIISLKBYJT-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000947686201 613519779 /nfs/dbraw/zinc/51/97/79/613519779.db2.gz VLHWJFCTOOHKRT-GOEBONIOSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000968780394 613545198 /nfs/dbraw/zinc/54/51/98/613545198.db2.gz FEAAUIFMHMPFFW-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000981780913 613679225 /nfs/dbraw/zinc/67/92/25/613679225.db2.gz RZDQAFSZKPCLOY-HUUCEWRRSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000968781676 613684293 /nfs/dbraw/zinc/68/42/93/613684293.db2.gz OVNOGMSGSSSQLJ-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000960254810 613870991 /nfs/dbraw/zinc/87/09/91/613870991.db2.gz LDLOAMSQTGFCFU-IXDOHACOSA-N 2 0 299.418 1.638 20 30 CDEDRP C=C(C)C[NH+]1CCC(N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925609039 617552575 /nfs/dbraw/zinc/55/25/75/617552575.db2.gz NTYLCYPMOOUQPU-UKRRQHHQSA-N 2 0 251.418 1.757 20 30 CDEDRP CC[C@H](CNC(=[NH2+])NCC1CCC1)[NH+]1CCCC1 ZINC000104166886 617978845 /nfs/dbraw/zinc/97/88/45/617978845.db2.gz WLAVRZGMGFDPSM-CYBMUJFWSA-N 2 0 252.406 1.565 20 30 CDEDRP N#CC1(CCCC[N@@H+]2CCCO[C@@H](C[NH3+])C2)CCC1 ZINC000903759961 626081615 /nfs/dbraw/zinc/08/16/15/626081615.db2.gz CNBCACYGVAGVPE-AWEZNQCLSA-N 2 0 265.401 1.900 20 30 CDEDRP C=CC[N@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)C(C)C ZINC000903884381 626132622 /nfs/dbraw/zinc/13/26/22/626132622.db2.gz YBOSMFHSVKDEET-CQSZACIVSA-N 2 0 264.417 1.742 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000911825996 629554266 /nfs/dbraw/zinc/55/42/66/629554266.db2.gz PLNJVLAPKFNYNC-FRRDWIJNSA-N 2 0 253.390 1.256 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429156 1162472056 /nfs/dbraw/zinc/47/20/56/1162472056.db2.gz DBQKQCKIZTVQRW-HNNXBMFYSA-N 2 0 279.428 1.675 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129840860 1162500784 /nfs/dbraw/zinc/50/07/84/1162500784.db2.gz KQRSEMQURKMSHA-CQSZACIVSA-N 2 0 267.417 1.533 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790228 1163047251 /nfs/dbraw/zinc/04/72/51/1163047251.db2.gz JCDCYONZQIWPIK-ZBFHGGJFSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001000802667 1161437210 /nfs/dbraw/zinc/43/72/10/1161437210.db2.gz STZOADXXSNTXRC-RDJZCZTQSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001128533284 1161493681 /nfs/dbraw/zinc/49/36/81/1161493681.db2.gz KPBRVOWASIXVAY-KBPBESRZSA-N 2 0 287.423 1.727 20 30 CDEDRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001133834221 1163919509 /nfs/dbraw/zinc/91/95/09/1163919509.db2.gz RGVOWESZWVANFC-MRXNPFEDSA-N 2 0 299.418 1.228 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001086786258 1164177074 /nfs/dbraw/zinc/17/70/74/1164177074.db2.gz RNVJDYNDWRGFKU-YHUYYLMFSA-N 2 0 293.455 1.777 20 30 CDEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001114443106 1165045329 /nfs/dbraw/zinc/04/53/29/1165045329.db2.gz VJILQBWRUUXIGS-YJNKXOJESA-N 2 0 279.428 1.195 20 30 CDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001574851581 1171023595 /nfs/dbraw/zinc/02/35/95/1171023595.db2.gz HWHISEHIMXLCNK-GARJFASQSA-N 2 0 273.808 1.301 20 30 CDEDRP C=C[C@H](C(=O)OC)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001574870981 1171030569 /nfs/dbraw/zinc/03/05/69/1171030569.db2.gz OMDBWSQSQHQFPI-ZIAGYGMSSA-N 2 0 266.385 1.426 20 30 CDEDRP C[N@H+](CCc1cccc(C#N)c1)CCC1([NH3+])CCOCC1 ZINC001578478815 1171930100 /nfs/dbraw/zinc/93/01/00/1171930100.db2.gz UPWDYDPGHJVHHZ-UHFFFAOYSA-N 2 0 287.407 1.931 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001661614241 1172417313 /nfs/dbraw/zinc/41/73/13/1172417313.db2.gz GGCDFRJVSITMII-HZSPNIEDSA-N 2 0 267.417 1.530 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CCOC1)NCC1([NH+](C)C)CCCCC1 ZINC000262692048 1182223150 /nfs/dbraw/zinc/22/31/50/1182223150.db2.gz CKPGWJRGDLSGLM-AWEZNQCLSA-N 2 0 296.459 1.452 20 30 CDEDRP CC#CC[NH2+][C@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001752498965 1184871408 /nfs/dbraw/zinc/87/14/08/1184871408.db2.gz HWVDKDGDCZFNTE-MRXNPFEDSA-N 2 0 291.439 1.370 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001752797601 1184916829 /nfs/dbraw/zinc/91/68/29/1184916829.db2.gz JRJJCUBYXLZFHZ-JKSUJKDBSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001753001145 1184989127 /nfs/dbraw/zinc/98/91/27/1184989127.db2.gz XNWVARFLEBFJTQ-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001753110462 1185066438 /nfs/dbraw/zinc/06/64/38/1185066438.db2.gz NTORVFGKZIEUAY-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CCC[NH2+][C@H](CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001753301837 1185147341 /nfs/dbraw/zinc/14/73/41/1185147341.db2.gz OXKKBOMKDYAQBS-MRXNPFEDSA-N 2 0 287.407 1.409 20 30 CDEDRP C#CCC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001753518345 1185245566 /nfs/dbraw/zinc/24/55/66/1185245566.db2.gz GRKVIWKSVMRZGQ-UNEWFSDZSA-N 2 0 291.439 1.224 20 30 CDEDRP C=CC[NH+]1CCC(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001753599321 1185262179 /nfs/dbraw/zinc/26/21/79/1185262179.db2.gz LFTYZPJTDPVJPT-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001753638069 1185280991 /nfs/dbraw/zinc/28/09/91/1185280991.db2.gz PBFMPVIHZLLQTB-CQSZACIVSA-N 2 0 279.428 1.390 20 30 CDEDRP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)CC[NH+](C)C ZINC001753741659 1185324876 /nfs/dbraw/zinc/32/48/76/1185324876.db2.gz AUOAYAJEHNECFQ-CQSZACIVSA-N 2 0 267.417 1.082 20 30 CDEDRP C=CC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001753844335 1185355607 /nfs/dbraw/zinc/35/56/07/1185355607.db2.gz ZUMBYJFHHFQICU-UONOGXRCSA-N 2 0 267.417 1.245 20 30 CDEDRP C=CCCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001754022931 1185429150 /nfs/dbraw/zinc/42/91/50/1185429150.db2.gz LSWYMXKGKDWRGX-UONOGXRCSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001754678878 1185702910 /nfs/dbraw/zinc/70/29/10/1185702910.db2.gz LCHVJSCCHMNPLN-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001755029753 1185790707 /nfs/dbraw/zinc/79/07/07/1185790707.db2.gz PXFDTBDZNAYLGE-JKSUJKDBSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001755498889 1185972623 /nfs/dbraw/zinc/97/26/23/1185972623.db2.gz PRMLEDCRYRSHHJ-HUUCEWRRSA-N 2 0 281.444 1.920 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999795405 728808814 /nfs/dbraw/zinc/80/88/14/728808814.db2.gz YSQKKRXMFNRVEJ-CVEARBPZSA-N 2 0 289.423 1.075 20 30 CDEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NCC1CCC1 ZINC000304753114 728811246 /nfs/dbraw/zinc/81/12/46/728811246.db2.gz KYCFHUSBNKCJJV-ZDUSSCGKSA-N 2 0 252.406 1.565 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CC1(C)C ZINC000996315663 728830053 /nfs/dbraw/zinc/83/00/53/728830053.db2.gz RUFHBCOHDZRKAY-UONOGXRCSA-N 2 0 281.444 1.729 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000354257868 728961583 /nfs/dbraw/zinc/96/15/83/728961583.db2.gz XYIPCIQNQZQKMH-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOCC(C)C ZINC000303770001 728868743 /nfs/dbraw/zinc/86/87/43/728868743.db2.gz BJVTUBRHOMBJSV-AWEZNQCLSA-N 2 0 284.448 1.438 20 30 CDEDRP C=CC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001034403343 728876726 /nfs/dbraw/zinc/87/67/26/728876726.db2.gz WVGHQGYQGHUNIB-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCCCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000849019724 729378068 /nfs/dbraw/zinc/37/80/68/729378068.db2.gz FSRCSRXTDWWWNS-CYBMUJFWSA-N 2 0 252.406 1.941 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033416724 728913955 /nfs/dbraw/zinc/91/39/55/728913955.db2.gz QZZVNBBLCFXFMD-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001022717465 728430910 /nfs/dbraw/zinc/43/09/10/728430910.db2.gz XTRJHGGLQSMNDZ-BETUJISGSA-N 2 0 265.401 1.141 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034037712 728457020 /nfs/dbraw/zinc/45/70/20/728457020.db2.gz DVOLKHYIVVIMAD-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000261712848 728472742 /nfs/dbraw/zinc/47/27/42/728472742.db2.gz DUYQFVHTDGKMQH-UONOGXRCSA-N 2 0 282.432 1.190 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001049057962 728486369 /nfs/dbraw/zinc/48/63/69/728486369.db2.gz TYJBETLVQQHCEY-HRCADAONSA-N 2 0 291.439 1.437 20 30 CDEDRP CC[NH+]=C(NCC[N@H+](C)C(C)C)N1CC[C@]2(CCOC2)C1 ZINC000157953637 728490871 /nfs/dbraw/zinc/49/08/71/728490871.db2.gz RIBPBEIFGZAUII-INIZCTEOSA-N 2 0 296.459 1.405 20 30 CDEDRP C=CC[N@H+]1CCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001073036974 728496212 /nfs/dbraw/zinc/49/62/12/728496212.db2.gz SVMQDYSBUGQFPX-UHFFFAOYSA-N 2 0 291.439 1.439 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NCC1CC[NH+](C)CC1 ZINC000848999035 728537747 /nfs/dbraw/zinc/53/77/47/728537747.db2.gz MISREUIQXJEHMI-UHFFFAOYSA-N 2 0 264.373 1.286 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001050545410 728978098 /nfs/dbraw/zinc/97/80/98/728978098.db2.gz FNDGSDSNCAJQTD-UHFFFAOYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C1CCC1 ZINC001017619381 728995293 /nfs/dbraw/zinc/99/52/93/728995293.db2.gz LNQUYYHFAFURBM-IYBDPMFKSA-N 2 0 291.439 1.722 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000996711654 729115168 /nfs/dbraw/zinc/11/51/68/729115168.db2.gz KEOJMVYTWZZPEN-CVEARBPZSA-N 2 0 291.439 1.770 20 30 CDEDRP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034491507 729177424 /nfs/dbraw/zinc/17/74/24/729177424.db2.gz SOODEDREPVCWFD-OAHLLOKOSA-N 2 0 291.439 1.629 20 30 CDEDRP C#CC[N@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001073454741 729180304 /nfs/dbraw/zinc/18/03/04/729180304.db2.gz QNZNCYPGJYGQFA-HUUCEWRRSA-N 2 0 289.423 1.027 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028263506 729284780 /nfs/dbraw/zinc/28/47/80/729284780.db2.gz QRVNVTGGTFQZHK-CQSZACIVSA-N 2 0 277.412 1.239 20 30 CDEDRP C#CCC[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034490041 729288744 /nfs/dbraw/zinc/28/87/44/729288744.db2.gz IHEMVLKLCPRHKG-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC000997034719 729321096 /nfs/dbraw/zinc/32/10/96/729321096.db2.gz CHWJHLHBCBPXQW-UHFFFAOYSA-N 2 0 262.357 1.109 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CCC[C@H]1C ZINC001049722138 729401446 /nfs/dbraw/zinc/40/14/46/729401446.db2.gz IGNMREPYESNEOZ-OWCLPIDISA-N 2 0 291.439 1.722 20 30 CDEDRP C=CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046332962 729460886 /nfs/dbraw/zinc/46/08/86/729460886.db2.gz UCDLISIXCOIHKS-NFAWXSAZSA-N 2 0 265.401 1.093 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC1CC1 ZINC000304750067 729475696 /nfs/dbraw/zinc/47/56/96/729475696.db2.gz ICFAESYJBXRAIJ-CYBMUJFWSA-N 2 0 252.406 1.565 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001015609217 729519296 /nfs/dbraw/zinc/51/92/96/729519296.db2.gz ZKBCYRVZBSGNOF-KKUMJFAQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCNC(=[NH2+])NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000303262413 729661235 /nfs/dbraw/zinc/66/12/35/729661235.db2.gz PQPQAFYRJFELSD-CHWSQXEVSA-N 2 0 252.406 1.445 20 30 CDEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCCCC1 ZINC000304746127 729710157 /nfs/dbraw/zinc/71/01/57/729710157.db2.gz FOHFJKDNNQXHPR-CYBMUJFWSA-N 2 0 252.406 1.661 20 30 CDEDRP C[C@H]1CCCN(C(=[NH2+])NCCCN2CCC[N@H+](C)CC2)C1 ZINC000303973461 729739411 /nfs/dbraw/zinc/73/94/11/729739411.db2.gz GXUHQGMQYZPSMM-HNNXBMFYSA-N 2 0 295.475 1.061 20 30 CDEDRP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001027575705 729811976 /nfs/dbraw/zinc/81/19/76/729811976.db2.gz CJRZUGATQXBHJJ-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CCN1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000923558031 729816665 /nfs/dbraw/zinc/81/66/65/729816665.db2.gz VCQUTHQHJHJJGD-INIZCTEOSA-N 2 0 291.439 1.321 20 30 CDEDRP CC(C)CCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000303891365 729871647 /nfs/dbraw/zinc/87/16/47/729871647.db2.gz NCQFNBUQTFXJQS-LBPRGKRZSA-N 2 0 252.406 1.421 20 30 CDEDRP CC1CC[NH+](CCCCNC(=[NH2+])N(C)C2CC2)CC1 ZINC000305799186 729885771 /nfs/dbraw/zinc/88/57/71/729885771.db2.gz CHNJXTYDXXBVCC-UHFFFAOYSA-N 2 0 266.433 1.907 20 30 CDEDRP C[NH+](C)CCCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000303691614 729918572 /nfs/dbraw/zinc/91/85/72/729918572.db2.gz ARLFDLOCMCILIR-UHFFFAOYSA-N 2 0 292.383 1.526 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001015701080 729932839 /nfs/dbraw/zinc/93/28/39/729932839.db2.gz CQOIVEXYIYFRDD-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001001535359 729944332 /nfs/dbraw/zinc/94/43/32/729944332.db2.gz UTQWEOXDTVOUNR-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP CC#CCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001038621767 729949437 /nfs/dbraw/zinc/94/94/37/729949437.db2.gz GTKWYZAFGVISIA-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999571891 729955056 /nfs/dbraw/zinc/95/50/56/729955056.db2.gz BGEYMRLIFQGZGX-CVEARBPZSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001071646153 729975635 /nfs/dbraw/zinc/97/56/35/729975635.db2.gz SMSXTFMMMIWMPU-HUUCEWRRSA-N 2 0 291.439 1.770 20 30 CDEDRP CCCCCCNC(=[NH2+])NC[C@H](C)[N@H+](C)C1CC1 ZINC000303987768 729976952 /nfs/dbraw/zinc/97/69/52/729976952.db2.gz VSUPBABCXIWOOM-LBPRGKRZSA-N 2 0 254.422 1.954 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NC[C@@]1(C)CCCS1 ZINC000261973848 729994553 /nfs/dbraw/zinc/99/45/53/729994553.db2.gz NHEUIXBAEUGTIU-DZGCQCFKSA-N 2 0 298.500 1.779 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001049897235 730053406 /nfs/dbraw/zinc/05/34/06/730053406.db2.gz QUROFLOELQXNKP-OWCLPIDISA-N 2 0 291.439 1.580 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008760605 730056971 /nfs/dbraw/zinc/05/69/71/730056971.db2.gz KQHXBJQSMDEUQJ-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP CC(C)CNC(=[NH2+])NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000262011264 730059734 /nfs/dbraw/zinc/05/97/34/730059734.db2.gz UIDHZJQYSSXBMM-OLZOCXBDSA-N 2 0 254.422 1.810 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001036207251 730290574 /nfs/dbraw/zinc/29/05/74/730290574.db2.gz FSUZLVDFNLFHIY-GOEBONIOSA-N 2 0 291.439 1.178 20 30 CDEDRP C[C@@H]1CCCN(C(=[NH2+])NC[C@H](C2CC2)[NH+](C)C)C1 ZINC000303874766 730291858 /nfs/dbraw/zinc/29/18/58/730291858.db2.gz HIBJVKGQLLUQSA-DGCLKSJQSA-N 2 0 252.406 1.373 20 30 CDEDRP C#CCN1CCC[C@H](NC(=O)N[C@H](C)C[NH+](CC)CC)C1 ZINC000884200558 730353382 /nfs/dbraw/zinc/35/33/82/730353382.db2.gz FPHRPNSCNPZIOK-CABCVRRESA-N 2 0 294.443 1.114 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCC[NH+]1CC ZINC000304764819 730369455 /nfs/dbraw/zinc/36/94/55/730369455.db2.gz YMRYUZROAUUPMV-CABCVRRESA-N 3 0 295.475 1.249 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001074878313 730375451 /nfs/dbraw/zinc/37/54/51/730375451.db2.gz MVKIEXBYVNFTJR-ILXRZTDVSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC000996134640 730377725 /nfs/dbraw/zinc/37/77/25/730377725.db2.gz KRSDJLMJNFHBHH-AWEZNQCLSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001502754815 1167774765 /nfs/dbraw/zinc/77/47/65/1167774765.db2.gz XJYGUAJTFWAFST-WCQYABFASA-N 2 0 287.835 1.517 20 30 CDEDRP C[N@@H+]1CCCN(CC[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173588784 912638336 /nfs/dbraw/zinc/63/83/36/912638336.db2.gz LIOFBXNFDSDLMK-UHFFFAOYSA-N 2 0 278.444 1.686 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211666521 900449260 /nfs/dbraw/zinc/44/92/60/900449260.db2.gz FMIXQRDFKAKPJV-DLBZAZTESA-N 2 0 299.418 1.156 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001027680824 900736464 /nfs/dbraw/zinc/73/64/64/900736464.db2.gz KCBDAMWZGDGIIH-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028028823 901174226 /nfs/dbraw/zinc/17/42/26/901174226.db2.gz JZWOQXBFWDVTSE-AWEZNQCLSA-N 2 0 282.347 1.162 20 30 CDEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H]1CC ZINC001087593811 905709367 /nfs/dbraw/zinc/70/93/67/905709367.db2.gz XDDUCPUZICBKAR-XHSDSOJGSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088170493 906407007 /nfs/dbraw/zinc/40/70/07/906407007.db2.gz TVQOYXYRGOAJTL-XHSDSOJGSA-N 2 0 291.439 1.295 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC000989392861 908785675 /nfs/dbraw/zinc/78/56/75/908785675.db2.gz XRHTWBDRCPMMGU-UKRRQHHQSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001168344367 909132575 /nfs/dbraw/zinc/13/25/75/909132575.db2.gz AJBRUYZGGNCKKS-UHFFFAOYSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102071351 909215044 /nfs/dbraw/zinc/21/50/44/909215044.db2.gz KFCAQZRDUATIEA-OAGGEKHMSA-N 2 0 295.471 1.833 20 30 CDEDRP C#CCCCC[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001172249349 911519262 /nfs/dbraw/zinc/51/92/62/911519262.db2.gz CIPQVTAFYVJDQY-UHFFFAOYSA-N 2 0 252.402 1.880 20 30 CDEDRP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001089732245 915577151 /nfs/dbraw/zinc/57/71/51/915577151.db2.gz QATLDHLBGIRNLP-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001180068175 916141969 /nfs/dbraw/zinc/14/19/69/916141969.db2.gz BLCHSGQXJWZKCS-UHFFFAOYSA-N 2 0 291.439 1.372 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1cccc(OC)c1 ZINC000303711686 935040681 /nfs/dbraw/zinc/04/06/81/935040681.db2.gz PMTVWGVWXAIPTH-CYBMUJFWSA-N 2 0 276.384 1.906 20 30 CDEDRP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N[C@H](C)COC ZINC000303891317 935047540 /nfs/dbraw/zinc/04/75/40/935047540.db2.gz QPPLJOJBJJAKII-KGLIPLIRSA-N 2 0 284.448 1.580 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111455329 936383615 /nfs/dbraw/zinc/38/36/15/936383615.db2.gz YOYUCJYTJYEWMV-OAGGEKHMSA-N 2 0 291.439 1.770 20 30 CDEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001181525295 917121651 /nfs/dbraw/zinc/12/16/51/917121651.db2.gz HIJRRXXRHACCSJ-KCYZZUKISA-N 2 0 291.439 1.034 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001183510260 918514213 /nfs/dbraw/zinc/51/42/13/918514213.db2.gz RGSAMJQNKZGYSI-GDBMZVCRSA-N 2 0 281.444 1.587 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001000027466 936524389 /nfs/dbraw/zinc/52/43/89/936524389.db2.gz QDNNDGLOZSPZRJ-CQSZACIVSA-N 2 0 291.395 1.721 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001185062234 919386175 /nfs/dbraw/zinc/38/61/75/919386175.db2.gz RJDMVLQXRUJOCH-GOEBONIOSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001186738735 920152828 /nfs/dbraw/zinc/15/28/28/920152828.db2.gz KBVRNWPIQPUJMT-MRXNPFEDSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186824816 920188278 /nfs/dbraw/zinc/18/82/78/920188278.db2.gz NBAPKVZAFDMGHF-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001187298782 920482410 /nfs/dbraw/zinc/48/24/10/920482410.db2.gz PFIUCKBHASTRER-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001203005215 936681474 /nfs/dbraw/zinc/68/14/74/936681474.db2.gz NRCFQBILENDIDD-UHFFFAOYSA-N 2 0 253.390 1.095 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071822027 936692462 /nfs/dbraw/zinc/69/24/62/936692462.db2.gz UTUFFHLVAGYOOH-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@@H+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001072896461 936712017 /nfs/dbraw/zinc/71/20/17/936712017.db2.gz PVVOUKWIVJPOAT-UHFFFAOYSA-N 2 0 289.423 1.335 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001033163234 921958116 /nfs/dbraw/zinc/95/81/16/921958116.db2.gz HVGGHQCRKOJZJL-MGPQQGTHSA-N 2 0 288.395 1.622 20 30 CDEDRP C#CC[N@H+]1CCCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034432275 922632893 /nfs/dbraw/zinc/63/28/93/922632893.db2.gz UHPNKVIXFAAKRE-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045538 922893496 /nfs/dbraw/zinc/89/34/96/922893496.db2.gz FOCALYHBNXOPDC-HNNXBMFYSA-N 2 0 281.444 1.827 20 30 CDEDRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000923295829 923720755 /nfs/dbraw/zinc/72/07/55/923720755.db2.gz IOAGZDJYGZEANG-ZBFHGGJFSA-N 2 0 291.395 1.261 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193558611 923798241 /nfs/dbraw/zinc/79/82/41/923798241.db2.gz CTBWWUPWRXBYLA-HNNXBMFYSA-N 2 0 281.444 1.827 20 30 CDEDRP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001079733041 924415928 /nfs/dbraw/zinc/41/59/28/924415928.db2.gz ZEJHWAJBPFKUMT-QKPAOTATSA-N 2 0 291.439 1.177 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001080053102 924475353 /nfs/dbraw/zinc/47/53/53/924475353.db2.gz WUZCRCSPEQCAKV-CZUORRHYSA-N 2 0 296.374 1.408 20 30 CDEDRP C=CCOCC[N@H+]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001196281469 924866119 /nfs/dbraw/zinc/86/61/19/924866119.db2.gz FJZROLWSKKRLOL-OAHLLOKOSA-N 2 0 297.443 1.064 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001082699757 924984807 /nfs/dbraw/zinc/98/48/07/924984807.db2.gz WHUSQKWSNLUOEV-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001084357357 925238992 /nfs/dbraw/zinc/23/89/92/925238992.db2.gz XAUMPNCNIUVHOE-QKPAOTATSA-N 2 0 291.439 1.435 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084830275 925448596 /nfs/dbraw/zinc/44/85/96/925448596.db2.gz QEIAXBBOPVJKAU-RBSFLKMASA-N 2 0 277.412 1.047 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085092835 925646940 /nfs/dbraw/zinc/64/69/40/925646940.db2.gz RTRAXMINFSBQTP-PMPSAXMXSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001201052987 926193440 /nfs/dbraw/zinc/19/34/40/926193440.db2.gz IPJDWJJCHVPEMV-MRXNPFEDSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001201609270 926358025 /nfs/dbraw/zinc/35/80/25/926358025.db2.gz AMXLGQCZCUZNOO-UHFFFAOYSA-N 2 0 296.374 1.552 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001086148414 926751529 /nfs/dbraw/zinc/75/15/29/926751529.db2.gz JDJLXTYUTCCMPS-XBXGTLAGSA-N 2 0 282.347 1.066 20 30 CDEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001103147956 937124835 /nfs/dbraw/zinc/12/48/35/937124835.db2.gz HVFZOGRBIAZBKA-BZUAXINKSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203327063 927144547 /nfs/dbraw/zinc/14/45/47/927144547.db2.gz XLBOJXWKVKMQPX-GJZGRUSLSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001086500161 927220859 /nfs/dbraw/zinc/22/08/59/927220859.db2.gz OSZWRIPNXZTARJ-KLHDSHLOSA-N 2 0 291.439 1.674 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103723656 937153423 /nfs/dbraw/zinc/15/34/23/937153423.db2.gz WHTJKZHALBLAGX-HZPDHXFCSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](C)C)C2 ZINC001108749535 928629385 /nfs/dbraw/zinc/62/93/85/928629385.db2.gz DHFUMHUNUDCXTG-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CCC)C2 ZINC001108802922 928638247 /nfs/dbraw/zinc/63/82/47/928638247.db2.gz RBFHVURYSYEUGJ-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1ccnc1)C2 ZINC001109770832 929039234 /nfs/dbraw/zinc/03/92/34/929039234.db2.gz CRQXHAKWEFHBJB-XGUBFFRZSA-N 2 0 288.395 1.742 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CCC ZINC001115160127 937330838 /nfs/dbraw/zinc/33/08/38/937330838.db2.gz OWXKSSLGQBNYQF-FOLVSLTJSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152147910 937339101 /nfs/dbraw/zinc/33/91/01/937339101.db2.gz NHGALBHMUFXUKM-STQMWFEESA-N 2 0 253.390 1.141 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115298452 937345631 /nfs/dbraw/zinc/34/56/31/937345631.db2.gz QLCSPSCFEAHEGQ-FOLVSLTJSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1ncc[nH]1 ZINC001134233812 929659988 /nfs/dbraw/zinc/65/99/88/929659988.db2.gz BFMQAXATFLSHDP-NEPJUHHUSA-N 2 0 264.373 1.401 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1ncc[nH]1 ZINC001134233814 929660312 /nfs/dbraw/zinc/66/03/12/929660312.db2.gz BFMQAXATFLSHDP-RYUDHWBXSA-N 2 0 264.373 1.401 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134757605 929894534 /nfs/dbraw/zinc/89/45/34/929894534.db2.gz QJVAOKKCAHMILS-CQSZACIVSA-N 2 0 267.417 1.533 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134889441 929954552 /nfs/dbraw/zinc/95/45/52/929954552.db2.gz TVIKFRIJGQIISY-OLZOCXBDSA-N 2 0 284.363 1.454 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135823603 930441110 /nfs/dbraw/zinc/44/11/10/930441110.db2.gz CYSOKOCMUOMSTC-CABCVRRESA-N 2 0 293.455 1.613 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860858 930479964 /nfs/dbraw/zinc/47/99/64/930479964.db2.gz IKFKJTKTIRKSFP-KBPBESRZSA-N 2 0 267.417 1.224 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135861684 930482470 /nfs/dbraw/zinc/48/24/70/930482470.db2.gz VNNJCGWFIGPLFS-UONOGXRCSA-N 2 0 269.433 1.777 20 30 CDEDRP N#CCc1ccc(N[C@H]([NH3+])CCC[NH3+])cc1[N+](=O)[O-] ZINC001170901044 930703506 /nfs/dbraw/zinc/70/35/06/930703506.db2.gz URYFDCVMVMVNBT-LBPRGKRZSA-N 2 0 263.301 1.096 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]C(C)C ZINC001171308913 932532083 /nfs/dbraw/zinc/53/20/83/932532083.db2.gz ZIDQYPKBLLHGSG-CVEARBPZSA-N 2 0 293.455 1.757 20 30 CDEDRP C=CC[N@@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148838951 932795591 /nfs/dbraw/zinc/79/55/91/932795591.db2.gz JNGRSCGQNBTUFA-UHFFFAOYSA-N 2 0 291.439 1.583 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001155752067 937670641 /nfs/dbraw/zinc/67/06/41/937670641.db2.gz XLCYZOVDWIGBRM-ZIAGYGMSSA-N 2 0 290.411 1.438 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](OC)C(C)(C)C ZINC000304706546 935085818 /nfs/dbraw/zinc/08/58/18/935085818.db2.gz KWYPKWOCVBODFK-OLZOCXBDSA-N 2 0 284.448 1.436 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015289082 935563727 /nfs/dbraw/zinc/56/37/27/935563727.db2.gz ITCIJAHHFAHTLO-AWEZNQCLSA-N 2 0 284.363 1.715 20 30 CDEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001045553761 935886699 /nfs/dbraw/zinc/88/66/99/935886699.db2.gz DMRRNTNWVBOZEA-LSDHHAIUSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC001121911266 937889757 /nfs/dbraw/zinc/88/97/57/937889757.db2.gz RUXDEMQTMIWYBA-HUUCEWRRSA-N 2 0 281.444 1.908 20 30 CDEDRP C=CCC[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156194553 938333082 /nfs/dbraw/zinc/33/30/82/938333082.db2.gz RVWNNWJCKSSPAU-CQSZACIVSA-N 2 0 269.433 1.731 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156901525 938431824 /nfs/dbraw/zinc/43/18/24/938431824.db2.gz MSSJWHUSBURKJP-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157082028 938451731 /nfs/dbraw/zinc/45/17/31/938451731.db2.gz ZZOLAOBHIFDPCO-OAHLLOKOSA-N 2 0 279.428 1.322 20 30 CDEDRP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1C ZINC001158472980 938628121 /nfs/dbraw/zinc/62/81/21/938628121.db2.gz IGUAARPIEILSBT-HZPDHXFCSA-N 2 0 291.439 1.417 20 30 CDEDRP N#Cc1nc(Cl)cnc1-n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001160946054 938847717 /nfs/dbraw/zinc/84/77/17/938847717.db2.gz UMMZXQGEMPLMOT-UHFFFAOYSA-N 2 0 298.737 1.842 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161053153 938865629 /nfs/dbraw/zinc/86/56/29/938865629.db2.gz QGSKEDFTCKDSEE-CYBMUJFWSA-N 2 0 253.390 1.143 20 30 CDEDRP Cc1ccc(NCCC[NH2+]CCCC[NH3+])nc1C#N ZINC001162290386 938972477 /nfs/dbraw/zinc/97/24/77/938972477.db2.gz RLQYPVNBZPKCGG-UHFFFAOYSA-N 2 0 261.373 1.392 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001166881235 939646839 /nfs/dbraw/zinc/64/68/39/939646839.db2.gz BRVLMIKHHHGMHK-UHFFFAOYSA-N 2 0 279.428 1.228 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203516296 939690399 /nfs/dbraw/zinc/69/03/99/939690399.db2.gz XJWSSIJUUHMJEG-KGLIPLIRSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CCOc1ccccc1C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205220022 939837394 /nfs/dbraw/zinc/83/73/94/939837394.db2.gz IMWPORMNRGBASS-QGZVFWFLSA-N 2 0 290.407 1.927 20 30 CDEDRP C=CCOc1cccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205242569 939842172 /nfs/dbraw/zinc/84/21/72/939842172.db2.gz YDUIAHBFJTYGQL-QGZVFWFLSA-N 2 0 290.407 1.927 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001205302929 939878741 /nfs/dbraw/zinc/87/87/41/939878741.db2.gz XYDUVPIEIPDSEE-MRXNPFEDSA-N 2 0 291.439 1.342 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001205483781 939892306 /nfs/dbraw/zinc/89/23/06/939892306.db2.gz RIIFCSJYXIYNTG-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001206246220 940005700 /nfs/dbraw/zinc/00/57/00/940005700.db2.gz SFJHDBVRCZPNNN-MRXNPFEDSA-N 2 0 293.455 1.568 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001206282699 940011004 /nfs/dbraw/zinc/01/10/04/940011004.db2.gz WSLHUGNCCNMAPN-GDBMZVCRSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001208598184 940346599 /nfs/dbraw/zinc/34/65/99/940346599.db2.gz YLNPUQFRXLQBMH-ARFHVFGLSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCCC[N@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001209265877 940455011 /nfs/dbraw/zinc/45/50/11/940455011.db2.gz MMKRGHADSGZOKM-UHFFFAOYSA-N 2 0 254.374 1.217 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210494459 940694465 /nfs/dbraw/zinc/69/44/65/940694465.db2.gz UWCXTJNWTZISKA-HNNXBMFYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210783343 940712489 /nfs/dbraw/zinc/71/24/89/940712489.db2.gz RZNZZBFSGHXUAI-HNNXBMFYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211267479 940744759 /nfs/dbraw/zinc/74/47/59/940744759.db2.gz BCFZYKHPLKUADH-ZDUSSCGKSA-N 2 0 253.390 1.093 20 30 CDEDRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000402177783 940889700 /nfs/dbraw/zinc/88/97/00/940889700.db2.gz WZHKOPDNRJARRT-BYCMXARLSA-N 2 0 259.353 1.403 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001215571838 940895122 /nfs/dbraw/zinc/89/51/22/940895122.db2.gz XFKKMSDLGHHMOW-KFWWJZLASA-N 2 0 281.444 1.729 20 30 CDEDRP N#Cc1oc2ccccc2c1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218626795 941246617 /nfs/dbraw/zinc/24/66/17/941246617.db2.gz MBMHBBOPTZKSDL-CQSZACIVSA-N 2 0 298.346 1.570 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228239344 942283480 /nfs/dbraw/zinc/28/34/80/942283480.db2.gz PYRRDSUPWHLEIC-HUUCEWRRSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001316608651 942537649 /nfs/dbraw/zinc/53/76/49/942537649.db2.gz YLJOEDZNLBWMJU-LSDHHAIUSA-N 2 0 279.428 1.129 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001316608642 942537743 /nfs/dbraw/zinc/53/77/43/942537743.db2.gz YLJOEDZNLBWMJU-HUUCEWRRSA-N 2 0 279.428 1.129 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC001284277567 943137260 /nfs/dbraw/zinc/13/72/60/943137260.db2.gz UVDPLCHXGLFGMN-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccccc1CC#N ZINC001235529450 944189252 /nfs/dbraw/zinc/18/92/52/944189252.db2.gz MVBIAQZURJNFBS-UHFFFAOYSA-N 2 0 286.423 1.432 20 30 CDEDRP CCCCCCCCNC(=S)N(CC[NH3+])CC[NH3+] ZINC001239438101 945464542 /nfs/dbraw/zinc/46/45/42/945464542.db2.gz BINFEVSEXJPETP-UHFFFAOYSA-N 2 0 274.478 1.441 20 30 CDEDRP N#Cc1cc(C=C2CC[NH2+]CC2)ccc1N1CC[NH2+]CC1 ZINC001240878228 946083249 /nfs/dbraw/zinc/08/32/49/946083249.db2.gz OAXAZDXESBRHMQ-UHFFFAOYSA-N 2 0 282.391 1.735 20 30 CDEDRP COC(=O)c1ccc(C(=[NH2+])N[C@H]2CCC3(C[NH2+]C3)C2)cc1 ZINC001246306372 948094560 /nfs/dbraw/zinc/09/45/60/948094560.db2.gz UKALIOCLXWVRSH-ZDUSSCGKSA-N 2 0 287.363 1.321 20 30 CDEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246556227 948265267 /nfs/dbraw/zinc/26/52/67/948265267.db2.gz DXMZSLOISMUMRC-WMLDXEAASA-N 2 0 287.407 1.665 20 30 CDEDRP N#C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CCN1 ZINC001246604012 948338411 /nfs/dbraw/zinc/33/84/11/948338411.db2.gz MPHBPRYSFPZWEA-ULQDDVLXSA-N 2 0 290.455 1.876 20 30 CDEDRP N#C[C@@H]1C[C@H]([N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)CCN1 ZINC001246934867 948530000 /nfs/dbraw/zinc/53/00/00/948530000.db2.gz CJDNGDZNXLXXFB-HLLBOEOZSA-N 2 0 290.455 1.875 20 30 CDEDRP C=CCC[C@@H](C)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001246987598 948564571 /nfs/dbraw/zinc/56/45/71/948564571.db2.gz MRLHHZLBYGPCHZ-HUUCEWRRSA-N 2 0 253.434 1.957 20 30 CDEDRP C#CCOC[C@H](O)C[NH2+]CC1CC[NH+](C(CC)CC)CC1 ZINC001251897186 950932999 /nfs/dbraw/zinc/93/29/99/950932999.db2.gz VIVPUPGBZUJTIA-QGZVFWFLSA-N 2 0 296.455 1.487 20 30 CDEDRP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001326304796 954311145 /nfs/dbraw/zinc/31/11/45/954311145.db2.gz QYVPJHHPEHBOAI-LSDHHAIUSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001331405963 957029006 /nfs/dbraw/zinc/02/90/06/957029006.db2.gz LXQFNAVBOTVXAY-UONOGXRCSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC001335460378 959820435 /nfs/dbraw/zinc/82/04/35/959820435.db2.gz NLJHPQBDOGADEA-OAHLLOKOSA-N 2 0 294.443 1.468 20 30 CDEDRP C[N@@H+]1CCCC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001336810915 960613780 /nfs/dbraw/zinc/61/37/80/960613780.db2.gz KZGAGCGGSUFEEW-ZIAGYGMSSA-N 2 0 267.417 1.609 20 30 CDEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC2(C#N)CC2)CC1 ZINC001559917562 960845202 /nfs/dbraw/zinc/84/52/02/960845202.db2.gz IAODZGNIERVMFK-UHFFFAOYSA-N 2 0 264.417 1.296 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2C)CC1 ZINC001339938631 962637442 /nfs/dbraw/zinc/63/74/42/962637442.db2.gz IZPNCWJYGTVJMB-OAHLLOKOSA-N 2 0 294.443 1.420 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001340709339 963082052 /nfs/dbraw/zinc/08/20/52/963082052.db2.gz OADKIFKCKCMXKL-KKUMJFAQSA-N 2 0 279.428 1.803 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001341659755 963500515 /nfs/dbraw/zinc/50/05/15/963500515.db2.gz SGKYYYXFFJTWLT-HUUCEWRRSA-N 2 0 279.428 1.757 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001440594311 964115367 /nfs/dbraw/zinc/11/53/67/964115367.db2.gz TZEBFQHGIJDCKT-AAEUAGOBSA-N 2 0 299.846 1.517 20 30 CDEDRP C[NH+](C)CC#CC[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC001346237176 965004258 /nfs/dbraw/zinc/00/42/58/965004258.db2.gz MMSLFISRBCJSTI-UHFFFAOYSA-N 2 0 293.798 1.823 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001100668844 968909050 /nfs/dbraw/zinc/90/90/50/968909050.db2.gz IOZHIOPJJWPBEV-YMAMQOFZSA-N 2 0 281.444 1.777 20 30 CDEDRP C[NH+]=C(NCCCC[N@H+](C)C1CC1)NCc1ccco1 ZINC000849039889 969424418 /nfs/dbraw/zinc/42/44/18/969424418.db2.gz XDKUTJZFAHKMLX-UHFFFAOYSA-N 2 0 278.400 1.819 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132265386 1163217904 /nfs/dbraw/zinc/21/79/04/1163217904.db2.gz MFCCKMUSYFLUBV-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132376394 1163260512 /nfs/dbraw/zinc/26/05/12/1163260512.db2.gz MKHJGSIAALKCOJ-LSDHHAIUSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]cn2)CC[C@@H]1C ZINC001132874080 1163498849 /nfs/dbraw/zinc/49/88/49/1163498849.db2.gz DKRJRRKXUPTHFS-KBPBESRZSA-N 2 0 290.411 1.603 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001133178664 1163596983 /nfs/dbraw/zinc/59/69/83/1163596983.db2.gz VWXHWIYSOFVRHH-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001133347363 1163649618 /nfs/dbraw/zinc/64/96/18/1163649618.db2.gz WIJPIGCBJWOEHB-HZPDHXFCSA-N 2 0 293.455 1.424 20 30 CDEDRP CC#CC[C@@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC001574973673 1171073075 /nfs/dbraw/zinc/07/30/75/1171073075.db2.gz XUIAQGCUJYSHGM-LSDHHAIUSA-N 2 0 293.455 1.744 20 30 CDEDRP CC1(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[NH2+]C1 ZINC001576545890 1171454668 /nfs/dbraw/zinc/45/46/68/1171454668.db2.gz UFUDUEUYQYINLY-UHFFFAOYSA-N 2 0 284.407 1.474 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635530643 361769155 /nfs/dbraw/zinc/76/91/55/361769155.db2.gz GKPLELNUBLVKFZ-INIZCTEOSA-N 2 0 291.439 1.770 20 30 CDEDRP CCNC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000264090584 361914044 /nfs/dbraw/zinc/91/40/44/361914044.db2.gz KVKKTGXDUSGFQP-HNNXBMFYSA-N 2 0 274.412 1.965 20 30 CDEDRP C[NH+](C)C[C@@H]1CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595318866 343035021 /nfs/dbraw/zinc/03/50/21/343035021.db2.gz OBVVVLBMXJMUPO-INIZCTEOSA-N 2 0 257.381 1.984 20 30 CDEDRP CC[NH+]1CCC([NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598713320 343879807 /nfs/dbraw/zinc/87/98/07/343879807.db2.gz AVEZTACOGQYAER-CYBMUJFWSA-N 2 0 253.390 1.361 20 30 CDEDRP C[C@H](CCC#N)C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000602545115 344461793 /nfs/dbraw/zinc/46/17/93/344461793.db2.gz SUUQQOURHTXPDY-KGLIPLIRSA-N 2 0 280.416 1.103 20 30 CDEDRP C[C@@H](CCC#N)C[NH2+]C[C@H]1CCCN1CCCO ZINC000602673050 344523131 /nfs/dbraw/zinc/52/31/31/344523131.db2.gz HQNYRFQCJPOQKN-UONOGXRCSA-N 2 0 253.390 1.363 20 30 CDEDRP CNC(=[NH2+])NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000264084381 362961338 /nfs/dbraw/zinc/96/13/38/362961338.db2.gz JHWRLHRRYDOACV-BETUJISGSA-N 2 0 290.411 1.330 20 30 CDEDRP N#Cc1ccccc1NC(=O)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000112734012 350592994 /nfs/dbraw/zinc/59/29/94/350592994.db2.gz RELICQDNWLTLSI-ZIAGYGMSSA-N 2 0 284.363 1.038 20 30 CDEDRP CC[C@@H](CNC(=[NH2+])NC)[N@@H+]1CCc2ccccc2C1 ZINC000058342023 357395532 /nfs/dbraw/zinc/39/55/32/357395532.db2.gz KTQNFWJDCVVKLA-AWEZNQCLSA-N 2 0 260.385 1.357 20 30 CDEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(C#N)c1 ZINC000185879637 357588524 /nfs/dbraw/zinc/58/85/24/357588524.db2.gz KQWUUHGWJWXCTR-OAHLLOKOSA-N 2 0 286.423 1.674 20 30 CDEDRP C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)N1CC[NH+](C)CC1 ZINC000181703179 189304832 /nfs/dbraw/zinc/30/48/32/189304832.db2.gz BACPFDSZJOIQOT-CABCVRRESA-N 2 0 286.423 1.845 20 30 CDEDRP C=CCn1cc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nn1 ZINC000644166554 364084230 /nfs/dbraw/zinc/08/42/30/364084230.db2.gz ZYIUNMWKTNBSKD-QLFBSQMISA-N 2 0 275.400 1.474 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](C(C)C)CC2)CC1 ZINC000358827057 367907773 /nfs/dbraw/zinc/90/77/73/367907773.db2.gz ITICHVSSBVEWHR-UHFFFAOYSA-N 2 0 294.443 1.372 20 30 CDEDRP C=C(C)CN1CCC([NH2+]CC2(O)CCCC2)CC1 ZINC000568254917 371213670 /nfs/dbraw/zinc/21/36/70/371213670.db2.gz UUZMIJVBSIYAHX-UHFFFAOYSA-N 2 0 252.402 1.922 20 30 CDEDRP COc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)ccc1C#N ZINC000414855458 374221686 /nfs/dbraw/zinc/22/16/86/374221686.db2.gz WNENQTPGJMFRQD-GFCCVEGCSA-N 2 0 259.353 1.656 20 30 CDEDRP CN(C)C(=[NH2+])NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195291059 376000617 /nfs/dbraw/zinc/00/06/17/376000617.db2.gz VGQBSECLUYQECW-CQSZACIVSA-N 2 0 260.385 1.385 20 30 CDEDRP C=CC1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000420301501 376325394 /nfs/dbraw/zinc/32/53/94/376325394.db2.gz LHSZLVPIFGWPKJ-IRXDYDNUSA-N 2 0 274.408 1.815 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000417528389 377857818 /nfs/dbraw/zinc/85/78/18/377857818.db2.gz OEPLGHPPQILHET-CQSZACIVSA-N 2 0 294.443 1.407 20 30 CDEDRP CN1CC[NH+](CCCC[NH2+]CC(C)(C)CCC#N)CC1 ZINC000525694782 390939926 /nfs/dbraw/zinc/93/99/26/390939926.db2.gz KPGGIMJKUQVBBH-UHFFFAOYSA-N 2 0 280.460 1.934 20 30 CDEDRP C[NH+]=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)NC1CC1 ZINC000265137097 391151189 /nfs/dbraw/zinc/15/11/89/391151189.db2.gz HIOPDOPHHRXSPZ-MRXNPFEDSA-N 2 0 286.423 1.978 20 30 CDEDRP C[C@@H]([NH2+]C(C)(C)CNC(=[NH2+])N(C)C)c1ccccc1 ZINC000178567522 391187916 /nfs/dbraw/zinc/18/79/16/391187916.db2.gz VZTLDFPMLYDFMS-GFCCVEGCSA-N 2 0 262.401 1.992 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(F)ccc1F ZINC000267431745 391194471 /nfs/dbraw/zinc/19/44/71/391194471.db2.gz MVGBCXAIAYFXCG-CYBMUJFWSA-N 2 0 296.365 1.853 20 30 CDEDRP CN(CCC[N@H+](C)[C@H]1CC[C@H](C#N)C1)CC[NH+](C)C ZINC000339206727 391269393 /nfs/dbraw/zinc/26/93/93/391269393.db2.gz XFNGDHYTVKHJAS-GJZGRUSLSA-N 2 0 266.433 1.494 20 30 CDEDRP C[C@H](CCC#N)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000411739074 391517588 /nfs/dbraw/zinc/51/75/88/391517588.db2.gz VSJXJWHPNJNFKX-CQSZACIVSA-N 2 0 254.422 1.494 20 30 CDEDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)CC1 ZINC000362701183 159217211 /nfs/dbraw/zinc/21/72/11/159217211.db2.gz FJYRHVJAHMWAEH-QGZVFWFLSA-N 2 0 298.434 1.816 20 30 CDEDRP CN1CC[NH+]=C1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000262666598 262781644 /nfs/dbraw/zinc/78/16/44/262781644.db2.gz PALRDHILUMIVPS-UHFFFAOYSA-N 2 0 272.396 1.673 20 30 CDEDRP CC[NH+](CC)[C@@H](CNC1=[NH+]CCN1C)Cc1ccccc1 ZINC000285041430 263089702 /nfs/dbraw/zinc/08/97/02/263089702.db2.gz KLMMSERGKXNHTQ-MRXNPFEDSA-N 2 0 288.439 1.831 20 30 CDEDRP C[NH+](C)CCCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000556224973 290259656 /nfs/dbraw/zinc/25/96/56/290259656.db2.gz WSYQCWVOPGUQOC-UHFFFAOYSA-N 2 0 272.356 1.032 20 30 CDEDRP C[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)N1CC[NH+](C)CC1 ZINC000248952133 329902829 /nfs/dbraw/zinc/90/28/29/329902829.db2.gz ZYCJCKYQBAYGKL-KFWWJZLASA-N 2 0 264.417 1.294 20 30 CDEDRP C[NH+]=C(NCC1CCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262464446 330014983 /nfs/dbraw/zinc/01/49/83/330014983.db2.gz NHWWSBACLOBHFN-HNNXBMFYSA-N 2 0 278.444 1.922 20 30 CDEDRP CC[NH+]=C(NCC1(C)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262465668 330015062 /nfs/dbraw/zinc/01/50/62/330015062.db2.gz YEIJKEKFSZNQNW-AWEZNQCLSA-N 2 0 276.428 1.698 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@](C)(OC)C1(C)C ZINC000262528082 330019676 /nfs/dbraw/zinc/01/96/76/330019676.db2.gz MAOVGKFQBSKHAA-IOASZLSFSA-N 2 0 296.459 1.579 20 30 CDEDRP C[N@H+](CCNC(=[NH2+])N1CCSCC1)C1CCCC1 ZINC000262532277 330019949 /nfs/dbraw/zinc/01/99/49/330019949.db2.gz OCKCHQVQDQZMED-UHFFFAOYSA-N 2 0 270.446 1.224 20 30 CDEDRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424138019 330275039 /nfs/dbraw/zinc/27/50/39/330275039.db2.gz CSGQVOYXVFFKDT-UONOGXRCSA-N 2 0 280.416 1.102 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000424166229 330309258 /nfs/dbraw/zinc/30/92/58/330309258.db2.gz GOLQHSUQDINILW-GJZGRUSLSA-N 2 0 286.379 1.011 20 30 CDEDRP C#CCN(C)CCC[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000491692664 332289115 /nfs/dbraw/zinc/28/91/15/332289115.db2.gz RQYAZQJNJUDYEN-OAHLLOKOSA-N 2 0 280.799 1.918 20 30 CDEDRP C=CCC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001754515893 1159254654 /nfs/dbraw/zinc/25/46/54/1159254654.db2.gz GBBVOVRNCBTPPG-CQSZACIVSA-N 2 0 279.428 1.675 20 30 CDEDRP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001755604507 1160305630 /nfs/dbraw/zinc/30/56/30/1160305630.db2.gz XCOKVQIUHBVTDY-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001734329172 1183734081 /nfs/dbraw/zinc/73/40/81/1183734081.db2.gz CLMVMSRXDQZDSQ-KGLIPLIRSA-N 2 0 269.433 1.585 20 30 CDEDRP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001755819310 1186079743 /nfs/dbraw/zinc/07/97/43/1186079743.db2.gz AVRPQPZRPLMWDT-UONOGXRCSA-N 2 0 281.444 1.777 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000334907687 526430753 /nfs/dbraw/zinc/43/07/53/526430753.db2.gz SKYGSQWEBJLDMI-HIFRSBDPSA-N 2 0 292.427 1.173 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000334908684 526585931 /nfs/dbraw/zinc/58/59/31/526585931.db2.gz IYQSQWNCIVKULP-CYBMUJFWSA-N 2 0 280.416 1.160 20 30 CDEDRP CN(CCC#N)c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000770393455 575444535 /nfs/dbraw/zinc/44/45/35/575444535.db2.gz CZMVNCXVSNSVOT-HOTGVXAUSA-N 2 0 284.407 1.688 20 30 CDEDRP C=CCNC(=S)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000751012796 577023145 /nfs/dbraw/zinc/02/31/45/577023145.db2.gz ZVDVUBRQQASLNX-AWEZNQCLSA-N 2 0 298.500 1.395 20 30 CDEDRP C#CCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000981200334 613004931 /nfs/dbraw/zinc/00/49/31/613004931.db2.gz PFRRQXIIMGQCBG-JKSUJKDBSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000971943849 613095130 /nfs/dbraw/zinc/09/51/30/613095130.db2.gz OUIKDISAUBVVHM-HNNXBMFYSA-N 2 0 282.347 1.114 20 30 CDEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000972336548 613283436 /nfs/dbraw/zinc/28/34/36/613283436.db2.gz YCNJRGXZKYVOAJ-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982148519 613305334 /nfs/dbraw/zinc/30/53/34/613305334.db2.gz LMWOSRBIHVXWCA-OAHLLOKOSA-N 2 0 291.439 1.439 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000969074826 613385097 /nfs/dbraw/zinc/38/50/97/613385097.db2.gz VLFLHFNRLKIQKA-VXGBXAGGSA-N 2 0 273.808 1.270 20 30 CDEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000969791535 613482674 /nfs/dbraw/zinc/48/26/74/613482674.db2.gz FPXQNJSJIZBDMA-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947936728 613519258 /nfs/dbraw/zinc/51/92/58/613519258.db2.gz YAJGBEBCKCITEP-HUUCEWRRSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947936730 613519434 /nfs/dbraw/zinc/51/94/34/613519434.db2.gz YAJGBEBCKCITEP-LSDHHAIUSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000972268190 613613767 /nfs/dbraw/zinc/61/37/67/613613767.db2.gz WYQHMPKKNJRCPY-ZIAGYGMSSA-N 2 0 267.417 1.291 20 30 CDEDRP C=CC[N@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000981515439 613697469 /nfs/dbraw/zinc/69/74/69/613697469.db2.gz OKPJRGUWFBFOJD-UHFFFAOYSA-N 2 0 298.390 1.977 20 30 CDEDRP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967232764 613767008 /nfs/dbraw/zinc/76/70/08/613767008.db2.gz VXZHWGUALCYKAX-GJZGRUSLSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000970803361 613864293 /nfs/dbraw/zinc/86/42/93/613864293.db2.gz INSCFPSOECOCLU-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCN1CC[C@H]([N@H+](C)Cc2cccc3c2CC[NH2+]C3)C1=O ZINC000903912210 626144606 /nfs/dbraw/zinc/14/46/06/626144606.db2.gz BNSBEKCMGVGDGD-KRWDZBQOSA-N 2 0 299.418 1.551 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000911676340 629407292 /nfs/dbraw/zinc/40/72/92/629407292.db2.gz HFCSYUJMNFDNSG-CQSZACIVSA-N 2 0 265.401 1.413 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000911841356 629569901 /nfs/dbraw/zinc/56/99/01/629569901.db2.gz QLQLVSVEDRNUFE-HNNXBMFYSA-N 2 0 279.428 1.661 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911855946 629593614 /nfs/dbraw/zinc/59/36/14/629593614.db2.gz LBZDJDSAWAEBOD-FRRDWIJNSA-N 2 0 251.374 1.023 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000913516790 630521569 /nfs/dbraw/zinc/52/15/69/630521569.db2.gz GGLBPPKUWGKCNF-UHFFFAOYSA-N 2 0 299.418 1.577 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001753893410 1158488031 /nfs/dbraw/zinc/48/80/31/1158488031.db2.gz AUUKXMBGBNCCLX-GJZGRUSLSA-N 2 0 291.439 1.226 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129842261 1162499330 /nfs/dbraw/zinc/49/93/30/1162499330.db2.gz VGMXJQJQMOBWBP-CQSZACIVSA-N 2 0 267.417 1.533 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105944858 1161008907 /nfs/dbraw/zinc/00/89/07/1161008907.db2.gz BTDQNCNUYXFEGX-MRVWCRGKSA-N 2 0 299.846 1.517 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132992749 1163530812 /nfs/dbraw/zinc/53/08/12/1163530812.db2.gz FPGBTBXQPAWXMB-ZDUSSCGKSA-N 2 0 267.417 1.389 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993066 1163531027 /nfs/dbraw/zinc/53/10/27/1163531027.db2.gz MESCTIVXVOWCOJ-UHFFFAOYSA-N 2 0 253.390 1.000 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CC(=O)N1CC[NH2+]CC1 ZINC001574915080 1171050301 /nfs/dbraw/zinc/05/03/01/1171050301.db2.gz AMASMJDBORCTNV-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001698858963 1175966646 /nfs/dbraw/zinc/96/66/46/1175966646.db2.gz XGKSXXGLVJZSTP-ZIAGYGMSSA-N 2 0 267.417 1.032 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)Cc2ccccc2)C1 ZINC001713152016 1178396572 /nfs/dbraw/zinc/39/65/72/1178396572.db2.gz PTMCMZRIVARFOS-KRWDZBQOSA-N 2 0 299.418 1.332 20 30 CDEDRP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001753044159 1182202583 /nfs/dbraw/zinc/20/25/83/1182202583.db2.gz XFOAQCFSPIMXMS-KGLIPLIRSA-N 2 0 267.417 1.483 20 30 CDEDRP C=C(Cl)C[N@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001752231380 1184839068 /nfs/dbraw/zinc/83/90/68/1184839068.db2.gz IBEVMUUOOCKWCC-CYBMUJFWSA-N 2 0 287.835 1.519 20 30 CDEDRP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)CC[N@@H+](C)CC ZINC001753037244 1185004773 /nfs/dbraw/zinc/00/47/73/1185004773.db2.gz LYXQIOFNLHASEB-MRXNPFEDSA-N 2 0 293.455 1.712 20 30 CDEDRP C=C(C)CC[NH+]1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001753413681 1185193360 /nfs/dbraw/zinc/19/33/60/1185193360.db2.gz LIRFFHNAOKPZED-CQSZACIVSA-N 2 0 279.428 1.342 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001753437045 1185205735 /nfs/dbraw/zinc/20/57/35/1185205735.db2.gz RICOCOYAVDIONG-GJZGRUSLSA-N 2 0 299.434 1.775 20 30 CDEDRP C#CCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001753518344 1185245017 /nfs/dbraw/zinc/24/50/17/1185245017.db2.gz GRKVIWKSVMRZGQ-FRFSOERESA-N 2 0 291.439 1.224 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001753722729 1185317393 /nfs/dbraw/zinc/31/73/93/1185317393.db2.gz XFQZMBBEAKPOSU-RDJZCZTQSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CC)C(C)C)CC1 ZINC001753845588 1185354288 /nfs/dbraw/zinc/35/42/88/1185354288.db2.gz MXQLAYOHYMGVTC-HNNXBMFYSA-N 2 0 279.428 1.082 20 30 CDEDRP CC#CC[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001754535027 1185663537 /nfs/dbraw/zinc/66/35/37/1185663537.db2.gz CGGWLERGLJAZOR-UHFFFAOYSA-N 2 0 277.412 1.124 20 30 CDEDRP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001754802443 1185735057 /nfs/dbraw/zinc/73/50/57/1185735057.db2.gz BPHMZPUJWLZATL-HOTGVXAUSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001755143882 1185830267 /nfs/dbraw/zinc/83/02/67/1185830267.db2.gz RGHKZBBGRNTRIN-AWEZNQCLSA-N 2 0 279.428 1.177 20 30 CDEDRP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001755603111 1186008774 /nfs/dbraw/zinc/00/87/74/1186008774.db2.gz YSNNKCPFCFBUIR-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001755743453 1186055144 /nfs/dbraw/zinc/05/51/44/1186055144.db2.gz IZCMFSHDNUFEFZ-HUUCEWRRSA-N 2 0 291.439 1.226 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001755765821 1186060603 /nfs/dbraw/zinc/06/06/03/1186060603.db2.gz XPUKTPGTIOJXBM-CABCVRRESA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)CC1(C)C ZINC001755762773 1186060708 /nfs/dbraw/zinc/06/07/08/1186060708.db2.gz KFSVLSWGLFCREQ-AWEZNQCLSA-N 2 0 279.428 1.178 20 30 CDEDRP CC[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000303882351 1186581023 /nfs/dbraw/zinc/58/10/23/1186581023.db2.gz LJJGJKITKKDFBW-INIZCTEOSA-N 2 0 288.439 1.865 20 30 CDEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H](C#N)CCC#N ZINC001772050859 1187028135 /nfs/dbraw/zinc/02/81/35/1187028135.db2.gz MLCIMQAXDOAVMM-CABCVRRESA-N 2 0 277.416 1.046 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773141 1164104270 /nfs/dbraw/zinc/10/42/70/1164104270.db2.gz LYEIGGVYNGTKNA-KBPBESRZSA-N 2 0 281.444 1.613 20 30 CDEDRP C[C@@H](CNC(=[NH2+])NC(C)(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000261979814 730434589 /nfs/dbraw/zinc/43/45/89/730434589.db2.gz HLTJWPHRXNQYNB-RYUDHWBXSA-N 2 0 254.422 1.810 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994255183 730458737 /nfs/dbraw/zinc/45/87/37/730458737.db2.gz PSLPBSQJQFYGCW-HUUCEWRRSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CC)C2)CC1 ZINC001034539065 730468127 /nfs/dbraw/zinc/46/81/27/730468127.db2.gz UYYGHMOSRHBWOF-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028003961 730569033 /nfs/dbraw/zinc/56/90/33/730569033.db2.gz VOFKMCQIXLSDED-AWEZNQCLSA-N 2 0 284.363 1.715 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001020719948 730571785 /nfs/dbraw/zinc/57/17/85/730571785.db2.gz SGACFSYVIVQBAG-YHUYYLMFSA-N 2 0 291.439 1.816 20 30 CDEDRP CC[N@H+](CCNC(=[NH2+])NC[C@@H]1CCC[NH+]1CC)C(C)C ZINC000303973677 730612412 /nfs/dbraw/zinc/61/24/12/730612412.db2.gz GZNDDVYQHSGIIW-AWEZNQCLSA-N 3 0 283.464 1.105 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001000378575 730641811 /nfs/dbraw/zinc/64/18/11/730641811.db2.gz OHBHLYUWTUGIDN-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C[C@@H](CNC(=[NH2+])N1CCSCC1)[N@@H+]1CCCC[C@H]1C ZINC000262026766 730760287 /nfs/dbraw/zinc/76/02/87/730760287.db2.gz ZRBZVXJRJHDLMJ-OLZOCXBDSA-N 2 0 284.473 1.613 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034492123 730872299 /nfs/dbraw/zinc/87/22/99/730872299.db2.gz YJZCIIORWQNHSV-OAHLLOKOSA-N 2 0 289.423 1.076 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049896245 730876801 /nfs/dbraw/zinc/87/68/01/730876801.db2.gz LZQOZLHXVCJSCU-CVEARBPZSA-N 2 0 289.423 1.171 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@H](C1CCCCC1)[NH+](C)C ZINC000303890890 730969620 /nfs/dbraw/zinc/96/96/20/730969620.db2.gz MURFBIQCBSGCAW-CQSZACIVSA-N 2 0 266.433 1.977 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC1CC[NH+](C)CC1 ZINC000303897853 731002272 /nfs/dbraw/zinc/00/22/72/731002272.db2.gz VFLPKHVCEPKTCI-OAHLLOKOSA-N 3 0 295.475 1.107 20 30 CDEDRP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001045529735 731004458 /nfs/dbraw/zinc/00/44/58/731004458.db2.gz WXVFDQPWRXVOKY-HNNXBMFYSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)C1CCC1)CC2 ZINC001035723991 731044991 /nfs/dbraw/zinc/04/49/91/731044991.db2.gz OISPABITEHHILD-UHFFFAOYSA-N 2 0 291.439 1.581 20 30 CDEDRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000923295827 731073872 /nfs/dbraw/zinc/07/38/72/731073872.db2.gz IOAGZDJYGZEANG-GOEBONIOSA-N 2 0 291.395 1.261 20 30 CDEDRP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028116210 731076294 /nfs/dbraw/zinc/07/62/94/731076294.db2.gz DRICOAQIDHGPOZ-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000985802335 731147106 /nfs/dbraw/zinc/14/71/06/731147106.db2.gz QPPAOXVJJFSONX-INIZCTEOSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001050204340 731148612 /nfs/dbraw/zinc/14/86/12/731148612.db2.gz UCPFZRXQQBLBDF-JKSUJKDBSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046377065 731221784 /nfs/dbraw/zinc/22/17/84/731221784.db2.gz ZVAHQGPTXGUHTF-NVXWUHKLSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998555024 731236677 /nfs/dbraw/zinc/23/66/77/731236677.db2.gz CLFPVOYTDBJJHV-WXRRBKDZSA-N 2 0 285.819 1.412 20 30 CDEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000304764662 731273702 /nfs/dbraw/zinc/27/37/02/731273702.db2.gz YIPRXLNLLHVSAR-KBPBESRZSA-N 2 0 266.433 1.907 20 30 CDEDRP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000985606436 731346652 /nfs/dbraw/zinc/34/66/52/731346652.db2.gz VDJCGRRBBXNBQC-GJZGRUSLSA-N 2 0 291.439 1.273 20 30 CDEDRP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049547711 731377733 /nfs/dbraw/zinc/37/77/33/731377733.db2.gz BMHHUNCGVLSYHV-PMPSAXMXSA-N 2 0 291.439 1.415 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001036191791 731379232 /nfs/dbraw/zinc/37/92/32/731379232.db2.gz HIWDJXJLEXEUOZ-CABCVRRESA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000998791453 731384346 /nfs/dbraw/zinc/38/43/46/731384346.db2.gz MFILWLPWNNALJZ-XSCHDIRWSA-N 2 0 279.428 1.482 20 30 CDEDRP CC[NH+]1CCC(CCNC(=[NH2+])NCC2CCC2)CC1 ZINC000304752178 731405487 /nfs/dbraw/zinc/40/54/87/731405487.db2.gz JYRAHQVZXWHYEI-UHFFFAOYSA-N 2 0 266.433 1.813 20 30 CDEDRP C#CCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)C1CC[NH+](C)CC1 ZINC000886578682 731410216 /nfs/dbraw/zinc/41/02/16/731410216.db2.gz HOENMGJHPHNINT-AWEZNQCLSA-N 2 0 293.455 1.709 20 30 CDEDRP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001039470841 731427761 /nfs/dbraw/zinc/42/77/61/731427761.db2.gz VJDYCIZHUSAXNR-CVEARBPZSA-N 2 0 289.423 1.171 20 30 CDEDRP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049726050 731430788 /nfs/dbraw/zinc/43/07/88/731430788.db2.gz BMHHUNCGVLSYHV-JYJNAYRXSA-N 2 0 291.439 1.415 20 30 CDEDRP C#CCCOC(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000859115482 731448189 /nfs/dbraw/zinc/44/81/89/731448189.db2.gz XEOFJBFBVITGPE-UHFFFAOYSA-N 2 0 281.400 1.104 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001027434269 731503394 /nfs/dbraw/zinc/50/33/94/731503394.db2.gz NKCQODBZOOACOA-HZPDHXFCSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC001032827176 731757690 /nfs/dbraw/zinc/75/76/90/731757690.db2.gz PNIRGCCMLVPKFC-ILXRZTDVSA-N 2 0 295.402 1.023 20 30 CDEDRP C[C@@H](CNC(=[NH2+])NCC1CCC1)[NH+]1CCC(C)CC1 ZINC000104181375 731822384 /nfs/dbraw/zinc/82/23/84/731822384.db2.gz FOGZFMBDGHCRFZ-ZDUSSCGKSA-N 2 0 266.433 1.811 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001022201986 731862537 /nfs/dbraw/zinc/86/25/37/731862537.db2.gz PHXVPTOCWCCMSI-ZNMIVQPWSA-N 2 0 277.412 1.119 20 30 CDEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001005185079 731881106 /nfs/dbraw/zinc/88/11/06/731881106.db2.gz PJSXZKFOOZGKKH-OAHLLOKOSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000985788915 731924714 /nfs/dbraw/zinc/92/47/14/731924714.db2.gz FRKXAEIUVNSNBH-UHFFFAOYSA-N 2 0 279.428 1.581 20 30 CDEDRP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001028759654 731958086 /nfs/dbraw/zinc/95/80/86/731958086.db2.gz ZJWNEYMVOUFUAL-JKSUJKDBSA-N 2 0 293.455 1.733 20 30 CDEDRP CCN(CC)C(=[NH2+])NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000303890235 731973166 /nfs/dbraw/zinc/97/31/66/731973166.db2.gz MMAZAAJMKOZLCE-QWHCGFSZSA-N 2 0 254.422 1.906 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000989735306 732002730 /nfs/dbraw/zinc/00/27/30/732002730.db2.gz XRBOXFWLYPAQSI-INIZCTEOSA-N 2 0 293.455 1.971 20 30 CDEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001016690918 732089532 /nfs/dbraw/zinc/08/95/32/732089532.db2.gz PZCUHNZIKRVRRF-CABCVRRESA-N 2 0 289.423 1.075 20 30 CDEDRP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001027789677 732160274 /nfs/dbraw/zinc/16/02/74/732160274.db2.gz JWFSZHXPADCNQY-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP CC(C)C[C@H](CNC(=[NH2+])NC(C)C)[NH+]1CCCC1 ZINC000104160628 732179772 /nfs/dbraw/zinc/17/97/72/732179772.db2.gz JWPKLZVNXUPLAD-CYBMUJFWSA-N 2 0 254.422 1.810 20 30 CDEDRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])N1CCOCC1 ZINC000104169759 732180085 /nfs/dbraw/zinc/18/00/85/732180085.db2.gz HPSJGZSIFMUDGP-CQSZACIVSA-N 2 0 282.432 1.288 20 30 CDEDRP C=C(C)CN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001038321834 732194163 /nfs/dbraw/zinc/19/41/63/732194163.db2.gz OLMNLWGQKXELBQ-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993762755 732194675 /nfs/dbraw/zinc/19/46/75/732194675.db2.gz RJCNTQCCWKJAFJ-ZFWWWQNUSA-N 2 0 279.428 1.483 20 30 CDEDRP C[N@H+](C[C@H](O)CC1(C#N)CCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000886203170 732197921 /nfs/dbraw/zinc/19/79/21/732197921.db2.gz OJIZQMDGTAIGQW-VFSICIBPSA-N 2 0 291.439 1.988 20 30 CDEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001034403348 732209954 /nfs/dbraw/zinc/20/99/54/732209954.db2.gz WVGHQGYQGHUNIB-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1CCCS1 ZINC000262024331 732256167 /nfs/dbraw/zinc/25/61/67/732256167.db2.gz ZJHMWYXFEPWVTJ-JSGCOSHPSA-N 2 0 296.484 1.531 20 30 CDEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N(C)CCC1CCOCC1 ZINC000158857260 732395094 /nfs/dbraw/zinc/39/50/94/732395094.db2.gz FGSPBJANCYFXDY-OAHLLOKOSA-N 2 0 296.459 1.262 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000999348385 732406416 /nfs/dbraw/zinc/40/64/16/732406416.db2.gz OCSSQMSBRGSXCF-CVEARBPZSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCCN2C)C1 ZINC001046554898 732482094 /nfs/dbraw/zinc/48/20/94/732482094.db2.gz WNMSBYYNVBGTGA-GOEBONIOSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703356 732703028 /nfs/dbraw/zinc/70/30/28/732703028.db2.gz IABORZDQCGCZAW-OAHLLOKOSA-N 2 0 291.439 1.487 20 30 CDEDRP CC(C)CC[NH+]1CCC([NH2+]CCn2cnc(C#N)n2)CC1 ZINC000926413134 732763285 /nfs/dbraw/zinc/76/32/85/732763285.db2.gz YNPDPZISQQZLMZ-UHFFFAOYSA-N 2 0 290.415 1.250 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000817021079 732777307 /nfs/dbraw/zinc/77/73/07/732777307.db2.gz SUWRTQLNLJPQHI-CYBMUJFWSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046739230 732837778 /nfs/dbraw/zinc/83/77/78/732837778.db2.gz KUECBZDHLUWXQW-QGZVFWFLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033144132 732871368 /nfs/dbraw/zinc/87/13/68/732871368.db2.gz RVVCPNKCYGDWPI-HZPDHXFCSA-N 2 0 293.455 1.683 20 30 CDEDRP CCCNC(N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)=[NH+]CC ZINC000261980776 732876232 /nfs/dbraw/zinc/87/62/32/732876232.db2.gz OVRDKYFVIQWMFU-WCQYABFASA-N 2 0 252.406 1.434 20 30 CDEDRP C#CCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033218995 732910419 /nfs/dbraw/zinc/91/04/19/732910419.db2.gz WFAYYIWTIRHRTA-JKSUJKDBSA-N 2 0 291.439 1.273 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)CC1 ZINC000844644078 732969274 /nfs/dbraw/zinc/96/92/74/732969274.db2.gz JZRIXWQXSBWMON-KFWWJZLASA-N 2 0 291.439 1.271 20 30 CDEDRP C=CC[N@@H+]1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000989732401 733047617 /nfs/dbraw/zinc/04/76/17/733047617.db2.gz RSEYMZVGYJDJLU-UHFFFAOYSA-N 2 0 279.428 1.583 20 30 CDEDRP C=CC[NH2+]C1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001026592827 733150316 /nfs/dbraw/zinc/15/03/16/733150316.db2.gz RMZFBEOCSBVPBU-WLYUNCDWSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CCOCc1nn([C@@H]2CC[N@@H+](CC)C2)c2c1C[NH2+]C2 ZINC001173364758 912488912 /nfs/dbraw/zinc/48/89/12/912488912.db2.gz UCLFWPBEHMDHPP-GFCCVEGCSA-N 2 0 276.384 1.456 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001089038564 912517122 /nfs/dbraw/zinc/51/71/22/912517122.db2.gz CFLZMINTVBIWFQ-MCIONIFRSA-N 2 0 265.401 1.093 20 30 CDEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992482808 913219151 /nfs/dbraw/zinc/21/91/51/913219151.db2.gz YAMKDAWQDBSKPA-BFYDXBDKSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001206875041 894793925 /nfs/dbraw/zinc/79/39/25/894793925.db2.gz SWCGZUSNBDZRCV-UHFFFAOYSA-N 2 0 277.412 1.096 20 30 CDEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176167313 913977715 /nfs/dbraw/zinc/97/77/15/913977715.db2.gz XSBLRAKOQIDNAZ-HZPDHXFCSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176565572 914179745 /nfs/dbraw/zinc/17/97/45/914179745.db2.gz WQSAKEWYFADIAK-ZIAGYGMSSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176564003 914181546 /nfs/dbraw/zinc/18/15/46/914181546.db2.gz JPERPZCLOZKVHT-GJZGRUSLSA-N 2 0 279.428 1.226 20 30 CDEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104622069 898798171 /nfs/dbraw/zinc/79/81/71/898798171.db2.gz PPJVFQVVDLABKZ-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028266843 901964677 /nfs/dbraw/zinc/96/46/77/901964677.db2.gz BVVILJYNHKPVPT-AWEZNQCLSA-N 2 0 277.412 1.239 20 30 CDEDRP C=C(C)C[NH2+]CC1(NC(=O)[C@@H](CC)[NH+](C)C)CCCC1 ZINC001269559317 903931326 /nfs/dbraw/zinc/93/13/26/903931326.db2.gz ZDHNOQVCGPHLIZ-CQSZACIVSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC ZINC001087799232 905858256 /nfs/dbraw/zinc/85/82/56/905858256.db2.gz JOOSSFQELWFZRY-LSDHHAIUSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087828782 905879138 /nfs/dbraw/zinc/87/91/38/905879138.db2.gz VLUHLAQSYWYSGU-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092505431 909439000 /nfs/dbraw/zinc/43/90/00/909439000.db2.gz QKHWHNSYIVUYNA-KFWWJZLASA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]cnc3C)[C@@H]2C1 ZINC001076500735 909873411 /nfs/dbraw/zinc/87/34/11/909873411.db2.gz NILJBKZJHAMVBW-DZGCQCFKSA-N 2 0 288.395 1.369 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001171586614 910817395 /nfs/dbraw/zinc/81/73/95/910817395.db2.gz QWXPBOBCWMEFEI-AWEZNQCLSA-N 2 0 281.444 1.615 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001179861091 916046596 /nfs/dbraw/zinc/04/65/96/916046596.db2.gz LAYVLQAWCNBFCR-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C ZINC001180369600 916320046 /nfs/dbraw/zinc/32/00/46/916320046.db2.gz NEGRMQBGHJMMCG-UHFFFAOYSA-N 2 0 281.444 1.616 20 30 CDEDRP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1cncn1C ZINC001049842797 936184216 /nfs/dbraw/zinc/18/42/16/936184216.db2.gz YEUCHCPHZXELGE-CABCVRRESA-N 2 0 288.395 1.214 20 30 CDEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001097852686 936394058 /nfs/dbraw/zinc/39/40/58/936394058.db2.gz DIKDNLMAKZSLNW-JJXSEGSLSA-N 2 0 291.439 1.626 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151096997 917736625 /nfs/dbraw/zinc/73/66/25/917736625.db2.gz ISGXPOVTYBGEQH-ZDUSSCGKSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001032095512 917737904 /nfs/dbraw/zinc/73/79/04/917737904.db2.gz ZFWYUHYANDSEHY-UHFFFAOYSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC001183086520 918283648 /nfs/dbraw/zinc/28/36/48/918283648.db2.gz WNUQUVREBDNZSU-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001183240641 918402522 /nfs/dbraw/zinc/40/25/22/918402522.db2.gz ODIWKSKLUVNQRJ-HZPDHXFCSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996981719 918770252 /nfs/dbraw/zinc/77/02/52/918770252.db2.gz XKLRWESNYTWZKC-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001032627325 919527232 /nfs/dbraw/zinc/52/72/32/919527232.db2.gz VFQJBEIEGLAUEV-JYJNAYRXSA-N 2 0 291.439 1.722 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001185610486 919676798 /nfs/dbraw/zinc/67/67/98/919676798.db2.gz XXHYPIIIUZAXJE-CABCVRRESA-N 2 0 279.428 1.321 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001185683602 919702823 /nfs/dbraw/zinc/70/28/23/919702823.db2.gz YJIWNFMLODBWRF-CVEARBPZSA-N 2 0 293.455 1.733 20 30 CDEDRP Cc1ccc(CN(CC[NH+](C)C)CC[NH+](C)C)cc1C#N ZINC001139723826 936639984 /nfs/dbraw/zinc/63/99/84/936639984.db2.gz HMYLOWYMNXGFPP-UHFFFAOYSA-N 2 0 288.439 1.792 20 30 CDEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190445580 921998879 /nfs/dbraw/zinc/99/88/79/921998879.db2.gz ZBDOEJNPLZBSCF-GJZGRUSLSA-N 2 0 297.418 1.222 20 30 CDEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001192342473 923011897 /nfs/dbraw/zinc/01/18/97/923011897.db2.gz FWTOFNHQCNCFCZ-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001036306315 923143258 /nfs/dbraw/zinc/14/32/58/923143258.db2.gz WTCRWXDLBSTNJB-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193462077 923696200 /nfs/dbraw/zinc/69/62/00/923696200.db2.gz KMYPNZUCBSKWOM-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000923356732 923775929 /nfs/dbraw/zinc/77/59/29/923775929.db2.gz KHUKUFJKHOARMV-HUUCEWRRSA-N 2 0 252.402 1.635 20 30 CDEDRP CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001079806438 924432273 /nfs/dbraw/zinc/43/22/73/924432273.db2.gz GSRKOIXRIKGJDR-OAGGEKHMSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001080329575 924533993 /nfs/dbraw/zinc/53/39/93/924533993.db2.gz FTWJZXMBFPJUNF-CBBWQLFWSA-N 2 0 279.428 1.339 20 30 CDEDRP C=CCCC[NH2+]C1CC(CNC(=O)C[NH+](CC)CC)C1 ZINC001100771113 936934045 /nfs/dbraw/zinc/93/40/45/936934045.db2.gz YSLVPRUGIHAJGR-UHFFFAOYSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001082544288 924956857 /nfs/dbraw/zinc/95/68/57/924956857.db2.gz UVLZELVPPFDZBF-KFWWJZLASA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048537 937039060 /nfs/dbraw/zinc/03/90/60/937039060.db2.gz FZRUDNRWFFQMRI-BMFZPTHFSA-N 2 0 291.439 1.034 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085422184 925942123 /nfs/dbraw/zinc/94/21/23/925942123.db2.gz KJOMDJDTFASYDY-BFHYXJOUSA-N 2 0 299.846 1.708 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294385 937050592 /nfs/dbraw/zinc/05/05/92/937050592.db2.gz WBPYXVVVEGKRLN-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001200894084 926152971 /nfs/dbraw/zinc/15/29/71/926152971.db2.gz LXWXYGSBHFYLAC-MRXNPFEDSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203324347 926235821 /nfs/dbraw/zinc/23/58/21/926235821.db2.gz HEXUZRJDCYEHDT-HUUCEWRRSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001085674967 926266353 /nfs/dbraw/zinc/26/63/53/926266353.db2.gz IHCHPANCTBTATM-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001086091317 926691529 /nfs/dbraw/zinc/69/15/29/926691529.db2.gz SAHBMWLNZITIAH-XUWVNRHRSA-N 2 0 293.455 1.777 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001086456940 927149642 /nfs/dbraw/zinc/14/96/42/927149642.db2.gz CECCHHJOHZZORV-AJNGGQMLSA-N 2 0 279.428 1.387 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103396850 937139975 /nfs/dbraw/zinc/13/99/75/937139975.db2.gz MTUUXDTYRJYELH-ZIAGYGMSSA-N 2 0 267.417 1.198 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001086478739 927185673 /nfs/dbraw/zinc/18/56/73/927185673.db2.gz YPWWUTNRFFEKMT-DOERSZECSA-N 2 0 299.846 1.421 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169127620 927741497 /nfs/dbraw/zinc/74/14/97/927741497.db2.gz RSFWEJZHFUWVGW-UHFFFAOYSA-N 2 0 281.444 1.780 20 30 CDEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001110716234 928650231 /nfs/dbraw/zinc/65/02/31/928650231.db2.gz SNCCLELYGMOEBA-TUVASFSCSA-N 2 0 277.412 1.071 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135475736 930227025 /nfs/dbraw/zinc/22/70/25/930227025.db2.gz FVAPXOWTMJGHIH-KGLIPLIRSA-N 2 0 281.444 1.470 20 30 CDEDRP CC#CC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCCC1 ZINC001115708029 937414107 /nfs/dbraw/zinc/41/41/07/937414107.db2.gz KLTQEIYMCYEQSR-UHFFFAOYSA-N 2 0 279.428 1.370 20 30 CDEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170862014 930511970 /nfs/dbraw/zinc/51/19/70/930511970.db2.gz JKQCZSLZTPDNKN-BZUAXINKSA-N 2 0 293.455 1.615 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135974310 930585057 /nfs/dbraw/zinc/58/50/57/930585057.db2.gz MNRQDIUMLIPCER-ZIAGYGMSSA-N 2 0 267.417 1.224 20 30 CDEDRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000819366682 930800561 /nfs/dbraw/zinc/80/05/61/930800561.db2.gz SHLDVNWQLDHTEY-RDJZCZTQSA-N 2 0 287.407 1.913 20 30 CDEDRP N#Cc1cc(C(F)(F)N[C@H]([NH3+])CCC[NH3+])cnc1Cl ZINC001159783423 930842354 /nfs/dbraw/zinc/84/23/54/930842354.db2.gz CWCVMSRZJYWPOF-VIFPVBQESA-N 2 0 289.717 1.269 20 30 CDEDRP N#Cc1c(Cl)cc(Cl)nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159787888 930861821 /nfs/dbraw/zinc/86/18/21/930861821.db2.gz DAEQQELMEYHZJH-SECBINFHSA-N 2 0 274.155 1.696 20 30 CDEDRP CCCCCCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001275131487 931675107 /nfs/dbraw/zinc/67/51/07/931675107.db2.gz RSUADOPPDQKZMU-CALCHBBNSA-N 2 0 297.487 1.903 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001091026053 931732472 /nfs/dbraw/zinc/73/24/72/931732472.db2.gz FXBUIVHSQPMDFH-YMAMQOFZSA-N 2 0 279.428 1.530 20 30 CDEDRP C[C@H](Cc1cccc(C#N)c1)NC(=[NH2+])NCCCC[NH3+] ZINC001171180535 931818905 /nfs/dbraw/zinc/81/89/05/931818905.db2.gz AYWPFJCYLIPKIO-GFCCVEGCSA-N 2 0 273.384 1.342 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001091267227 932069398 /nfs/dbraw/zinc/06/93/98/932069398.db2.gz FDBWZAUMBBHJMC-UYSNPLJNSA-N 2 0 291.439 1.367 20 30 CDEDRP NC(=O)c1ccc(C(=[NH2+])Nc2cccc3c2CC[C@@H]3[NH3+])cc1 ZINC001171258514 932170464 /nfs/dbraw/zinc/17/04/64/932170464.db2.gz BHBJZQBPXCEPGX-AWEZNQCLSA-N 2 0 294.358 1.769 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC=C)CC1 ZINC001146571079 932266637 /nfs/dbraw/zinc/26/66/37/932266637.db2.gz KRFQXRRNNFEYFL-HUUCEWRRSA-N 2 0 291.439 1.391 20 30 CDEDRP C#Cc1cccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1 ZINC001276096008 932523400 /nfs/dbraw/zinc/52/34/00/932523400.db2.gz AEDIPQJGUMDYMD-OALUTQOASA-N 2 0 297.446 1.878 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147835538 932616628 /nfs/dbraw/zinc/61/66/28/932616628.db2.gz UBPJNSVHGICQAT-LSDHHAIUSA-N 2 0 281.444 1.779 20 30 CDEDRP CCCCCCC[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147893738 932621709 /nfs/dbraw/zinc/62/17/09/932621709.db2.gz SDRGSLOEMJVRLE-UHFFFAOYSA-N 2 0 287.448 1.241 20 30 CDEDRP CCCCCCC[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147994902 932642139 /nfs/dbraw/zinc/64/21/39/932642139.db2.gz UWHIZHRQFGZRLT-UHFFFAOYSA-N 2 0 281.444 1.758 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N(C)C[C@@H]1CCOC1 ZINC000155964704 934239792 /nfs/dbraw/zinc/23/97/92/934239792.db2.gz FMIDVJTVKXBEMD-KBPBESRZSA-N 2 0 294.443 1.014 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298667 934528555 /nfs/dbraw/zinc/52/85/55/934528555.db2.gz JXRFWGQXJAJOFL-KFWWJZLASA-N 2 0 279.428 1.626 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C ZINC000303774859 935043958 /nfs/dbraw/zinc/04/39/58/935043958.db2.gz GFPDJEWWBTXZCM-HUUCEWRRSA-N 3 0 297.491 1.351 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001015704794 935580914 /nfs/dbraw/zinc/58/09/14/935580914.db2.gz FPKYWRSONAAMFW-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015930928 935594617 /nfs/dbraw/zinc/59/46/17/935594617.db2.gz WTHUDVSBHUIRHE-OAHLLOKOSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001044630457 935866548 /nfs/dbraw/zinc/86/65/48/935866548.db2.gz WLOSMURDJQTCPM-KGLIPLIRSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001044657924 935867544 /nfs/dbraw/zinc/86/75/44/935867544.db2.gz JJVRBAMTRPHWMB-HIFRSBDPSA-N 2 0 296.374 1.550 20 30 CDEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](CC)CC ZINC001158625011 938642805 /nfs/dbraw/zinc/64/28/05/938642805.db2.gz JPHUBKXXAUSRRA-MRXNPFEDSA-N 2 0 293.455 1.664 20 30 CDEDRP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001158787647 938664435 /nfs/dbraw/zinc/66/44/35/938664435.db2.gz XTNRYYVOKWGHLF-MRXNPFEDSA-N 2 0 293.455 1.664 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161412949 938901637 /nfs/dbraw/zinc/90/16/37/938901637.db2.gz MWUMCSIEFDQWOC-XGUBFFRZSA-N 2 0 279.428 1.646 20 30 CDEDRP CN(C)/C=[NH+]/c1ccc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)cc1C#N ZINC001163343352 939252286 /nfs/dbraw/zinc/25/22/86/939252286.db2.gz WWAQWROQSPRZCE-VPXKPHMHSA-N 2 0 299.378 1.321 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C12CCC2 ZINC001203312764 939682141 /nfs/dbraw/zinc/68/21/41/939682141.db2.gz UNHNDTUNZBQDDF-UONOGXRCSA-N 2 0 291.439 1.531 20 30 CDEDRP C=CCN(CC[NH+]1CCC(C[NH3+])CC1)C(=O)OCC ZINC001205025761 939815636 /nfs/dbraw/zinc/81/56/36/939815636.db2.gz HEWGNCKOVDMVJQ-UHFFFAOYSA-N 2 0 269.389 1.302 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001206308141 940014530 /nfs/dbraw/zinc/01/45/30/940014530.db2.gz YSZWWHUICCKZFL-AWEZNQCLSA-N 2 0 267.417 1.341 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001206884630 940107132 /nfs/dbraw/zinc/10/71/32/940107132.db2.gz XUWXRKOOYJYAQT-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001207232136 940169129 /nfs/dbraw/zinc/16/91/29/940169129.db2.gz QTAAQRRGJZYJIN-QLFBSQMISA-N 2 0 299.434 1.679 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210798019 940714306 /nfs/dbraw/zinc/71/43/06/940714306.db2.gz ZKKWHGHWYNSFTE-OAHLLOKOSA-N 2 0 279.428 1.322 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214889897 940843562 /nfs/dbraw/zinc/84/35/62/940843562.db2.gz RDLBJPNGSIFUAD-OWCLPIDISA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001214999230 940851196 /nfs/dbraw/zinc/85/11/96/940851196.db2.gz BAIPJDWGGZGHAX-ZIAGYGMSSA-N 2 0 281.444 1.729 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215422154 940884819 /nfs/dbraw/zinc/88/48/19/940884819.db2.gz ZVNCMRVPXKPIRO-DGCLKSJQSA-N 2 0 287.835 1.517 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216382957 940936094 /nfs/dbraw/zinc/93/60/94/940936094.db2.gz FQNJJSVASSQXQJ-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C1CC[NH2+]C[C@H]1OC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217830848 941021966 /nfs/dbraw/zinc/02/19/66/941021966.db2.gz AXBYRIBRJONWAL-HUUCEWRRSA-N 2 0 280.412 1.470 20 30 CDEDRP N#Cc1c2ccccc2sc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218648830 941251630 /nfs/dbraw/zinc/25/16/30/941251630.db2.gz KTCRUDSELVBHAD-LLVKDONJSA-N 2 0 288.376 1.778 20 30 CDEDRP C[C@H](C#N)c1ccc(NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)cc1 ZINC001218871543 941282145 /nfs/dbraw/zinc/28/21/45/941282145.db2.gz OMLRRFBTIKZTKL-QMTHXVAHSA-N 2 0 283.335 1.545 20 30 CDEDRP N#Cc1ccc2nc(CN3CCC(F)(C[NH3+])CC3)cn2c1 ZINC001222552869 941613497 /nfs/dbraw/zinc/61/34/97/941613497.db2.gz KTNBXKMMUZBNOP-UHFFFAOYSA-N 2 0 287.342 1.469 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001223374252 941674013 /nfs/dbraw/zinc/67/40/13/941674013.db2.gz MKPXKMFALUKJDS-HNNXBMFYSA-N 2 0 299.434 1.681 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)CCC[NH+](C)C)CC1 ZINC001224253119 941734031 /nfs/dbraw/zinc/73/40/31/941734031.db2.gz GNJRBCHCWFZBJX-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224346052 941745147 /nfs/dbraw/zinc/74/51/47/941745147.db2.gz AYIDAVNQYZWYNM-UHFFFAOYSA-N 2 0 267.417 1.342 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001225206578 941830364 /nfs/dbraw/zinc/83/03/64/941830364.db2.gz HKSAVIGOZPHGHR-UHFFFAOYSA-N 2 0 293.455 1.570 20 30 CDEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001225428008 941857896 /nfs/dbraw/zinc/85/78/96/941857896.db2.gz WEIVUBQWGFNKTH-INIZCTEOSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228998396 942405922 /nfs/dbraw/zinc/40/59/22/942405922.db2.gz DSYBXOYWEACIRG-AWEZNQCLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCn1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cn1 ZINC001236320259 944467799 /nfs/dbraw/zinc/46/77/99/944467799.db2.gz ORUGTCLGTNOROF-GASCZTMLSA-N 2 0 260.385 1.501 20 30 CDEDRP N#Cc1ccn2ncc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c2c1 ZINC001236321367 944469152 /nfs/dbraw/zinc/46/91/52/944469152.db2.gz LTGGKQGABPMMJP-GASCZTMLSA-N 2 0 295.390 1.637 20 30 CDEDRP C#CCCN1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)C1=O ZINC001254510967 947471733 /nfs/dbraw/zinc/47/17/33/947471733.db2.gz ZJLHEPLAEUMVQZ-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245983308 947878055 /nfs/dbraw/zinc/87/80/55/947878055.db2.gz VDMLEOGDWDMJRQ-KGLIPLIRSA-N 2 0 268.401 1.062 20 30 CDEDRP CCCCCCCC[N@H+](CCN)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246310733 948097679 /nfs/dbraw/zinc/09/76/79/948097679.db2.gz QRIBKGIIOBJFIL-INIZCTEOSA-N 2 0 296.503 1.702 20 30 CDEDRP C=C(C)C(=O)NCCC[NH2+][C@H](C)CC[NH+](CC)CC ZINC001255945304 948131974 /nfs/dbraw/zinc/13/19/74/948131974.db2.gz JQIRZDLIPWRRPS-CQSZACIVSA-N 2 0 269.433 1.779 20 30 CDEDRP CC[NH+](CC)CC[C@@H](C)NC1(C#N)CC[NH+](C)CC1 ZINC001255953404 948137535 /nfs/dbraw/zinc/13/75/35/948137535.db2.gz QWJVNQZHVMYVGI-CQSZACIVSA-N 2 0 266.433 1.684 20 30 CDEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246415845 948163418 /nfs/dbraw/zinc/16/34/18/948163418.db2.gz LIVIVEACTGBSRI-WFASDCNBSA-N 2 0 288.395 1.062 20 30 CDEDRP C=CCOC1CCC([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)CC1 ZINC001246552890 948258749 /nfs/dbraw/zinc/25/87/49/948258749.db2.gz PYYIPCJQTRSVGG-GPANFISMSA-N 2 0 282.428 1.676 20 30 CDEDRP N#CCC1C[NH+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256688604 948396426 /nfs/dbraw/zinc/39/64/26/948396426.db2.gz HAPCBEXPTFNRLY-UHFFFAOYSA-N 2 0 263.385 1.475 20 30 CDEDRP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246724650 948419041 /nfs/dbraw/zinc/41/90/41/948419041.db2.gz WEMNOBWZNCWDFD-IAGOWNOFSA-N 2 0 294.439 1.812 20 30 CDEDRP C#CCOC[C@H](O)C[NH2+]CC1CC[NH+](CC2CCC2)CC1 ZINC001251897095 950932088 /nfs/dbraw/zinc/93/20/88/950932088.db2.gz SHCRKNDZHRQFDH-QGZVFWFLSA-N 2 0 294.439 1.099 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001252499233 951379358 /nfs/dbraw/zinc/37/93/58/951379358.db2.gz XNHJHTWNYWEOMX-RBSFLKMASA-N 2 0 270.417 1.258 20 30 CDEDRP C=C[C@@](C)(O)C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001252578956 951472557 /nfs/dbraw/zinc/47/25/57/951472557.db2.gz IJLQDDLVXDXHQY-MRXNPFEDSA-N 2 0 282.428 1.404 20 30 CDEDRP C=C[C@](C)(O)C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC001252580034 951474468 /nfs/dbraw/zinc/47/44/68/951474468.db2.gz PNBBNJRUINMXRG-KRWDZBQOSA-N 2 0 289.423 1.820 20 30 CDEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001480763881 971869348 /nfs/dbraw/zinc/86/93/48/971869348.db2.gz NIUUZUQKHMUJDC-GJZGRUSLSA-N 2 0 279.428 1.367 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491829882 955457033 /nfs/dbraw/zinc/45/70/33/955457033.db2.gz SUFIXHRHUYSEAE-CYBMUJFWSA-N 2 0 299.846 1.519 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001341892626 963572873 /nfs/dbraw/zinc/57/28/73/963572873.db2.gz IQCIUKZLUOACCJ-OLZOCXBDSA-N 2 0 265.401 1.461 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC001343391393 963966173 /nfs/dbraw/zinc/96/61/73/963966173.db2.gz IRYQDRQQPKVPSO-STQMWFEESA-N 2 0 253.390 1.128 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC001200291928 967854642 /nfs/dbraw/zinc/85/46/42/967854642.db2.gz PENJNPWXLGACPC-UHFFFAOYSA-N 2 0 290.411 1.889 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1cccnc1N(C)C ZINC001353562414 968067902 /nfs/dbraw/zinc/06/79/02/968067902.db2.gz VKQYCZUXOZCOAH-UHFFFAOYSA-N 2 0 260.385 1.192 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001100447264 968381492 /nfs/dbraw/zinc/38/14/92/968381492.db2.gz UYXNESMKXJCMAC-GPANFISMSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCCC[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100638514 968845164 /nfs/dbraw/zinc/84/51/64/968845164.db2.gz PLRGMYJFKLDRSJ-UHFFFAOYSA-N 2 0 267.417 1.389 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848353110 969030074 /nfs/dbraw/zinc/03/00/74/969030074.db2.gz XJBXAYNPYHYXIS-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001500514647 974445429 /nfs/dbraw/zinc/44/54/29/974445429.db2.gz ATUBHVJNSRPBQZ-WBVHZDCISA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001507119826 975345608 /nfs/dbraw/zinc/34/56/08/975345608.db2.gz VMZVGJGYVGMBND-LBPRGKRZSA-N 2 0 287.835 1.517 20 30 CDEDRP C[C@@H](CCC#N)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000590593189 342578790 /nfs/dbraw/zinc/57/87/90/342578790.db2.gz LLNPBMAUMHKURR-HNNXBMFYSA-N 2 0 279.428 1.970 20 30 CDEDRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(CC#N)CC1 ZINC000591570971 342637484 /nfs/dbraw/zinc/63/74/84/342637484.db2.gz MFAWLLUKGQTRKR-ZBFHGGJFSA-N 2 0 278.444 1.875 20 30 CDEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCN1CC[NH2+]CC1 ZINC000591577126 342637850 /nfs/dbraw/zinc/63/78/50/342637850.db2.gz KRACNYVWRSUCNN-SFHVURJKSA-N 2 0 298.434 1.821 20 30 CDEDRP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591866988 342650446 /nfs/dbraw/zinc/65/04/46/342650446.db2.gz LISRLXBZFZHIGJ-HNNXBMFYSA-N 2 0 290.411 1.945 20 30 CDEDRP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C[NH+]1CCCCC1 ZINC000594441570 342907403 /nfs/dbraw/zinc/90/74/03/342907403.db2.gz STQMRXDMRZDQEY-GJZGRUSLSA-N 2 0 294.443 1.636 20 30 CDEDRP N#Cc1ccc(N2CCC([NH2+][C@H]3CCC[C@@H]([NH3+])C3)CC2)nc1 ZINC000594583042 342921193 /nfs/dbraw/zinc/92/11/93/342921193.db2.gz RPSUHKLCFQDSTR-ZBFHGGJFSA-N 2 0 299.422 1.782 20 30 CDEDRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]([NH3+])CCCC#N ZINC000595944675 343205211 /nfs/dbraw/zinc/20/52/11/343205211.db2.gz UVHBQCLTYODAGV-ZIAGYGMSSA-N 2 0 280.416 1.244 20 30 CDEDRP CSC1(C[NH2+]C[C@@H](O)CC(C)(C)C#N)CC[NH+](C)CC1 ZINC000598726791 343886289 /nfs/dbraw/zinc/88/62/89/343886289.db2.gz BWWMVGMJJVXJAG-ZDUSSCGKSA-N 2 0 299.484 1.704 20 30 CDEDRP C[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@H]1CC[NH+](C)C1 ZINC000598701818 343889654 /nfs/dbraw/zinc/88/96/54/343889654.db2.gz NIPYDHLDKXTBDV-QWHCGFSZSA-N 2 0 253.390 1.171 20 30 CDEDRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C#N)cn1 ZINC000618905476 345447577 /nfs/dbraw/zinc/44/75/77/345447577.db2.gz IIBXFXQRNLDGCT-UHFFFAOYSA-N 2 0 287.411 1.023 20 30 CDEDRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCCSCC#N)CC2)C1 ZINC000610412774 346274099 /nfs/dbraw/zinc/27/40/99/346274099.db2.gz BRINGISUMAMMHR-OAHLLOKOSA-N 2 0 296.484 1.345 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1ccccc1 ZINC000264069189 362956124 /nfs/dbraw/zinc/95/61/24/362956124.db2.gz FVRVXHXNZQXWJL-HUUCEWRRSA-N 2 0 290.411 1.109 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1sccc1C ZINC000264106085 362968079 /nfs/dbraw/zinc/96/80/79/362968079.db2.gz NVAOXXBCAZXYHQ-LBPRGKRZSA-N 2 0 280.441 1.945 20 30 CDEDRP [NH2+]=C(NCCC[N@@H+]1CCc2ccccc2C1)NC1CC1 ZINC000264125951 362973275 /nfs/dbraw/zinc/97/32/75/362973275.db2.gz WKGSNYPKGOGGQC-UHFFFAOYSA-N 2 0 272.396 1.502 20 30 CDEDRP C=CCNC(=[NH2+])NCCC[N@@H+](C)Cc1ccccc1 ZINC000058064541 357376961 /nfs/dbraw/zinc/37/69/61/357376961.db2.gz DVHZVEUJLMZPHX-UHFFFAOYSA-N 2 0 260.385 1.599 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C1([NH3+])CC1)C(C)C ZINC000165196385 363625924 /nfs/dbraw/zinc/62/59/24/363625924.db2.gz NNKFVHUAGGUCBZ-CYBMUJFWSA-N 2 0 265.401 1.293 20 30 CDEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CNCCO1)CC2 ZINC000570036855 359274061 /nfs/dbraw/zinc/27/40/61/359274061.db2.gz WJNKYASUKPTULF-ZFWWWQNUSA-N 2 0 257.337 1.124 20 30 CDEDRP C[NH+](C)C1CCN(CC[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000176989653 189019507 /nfs/dbraw/zinc/01/95/07/189019507.db2.gz NVOXLUHMKBPDFS-UHFFFAOYSA-N 2 0 286.423 1.674 20 30 CDEDRP CC#CC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000157922920 361050624 /nfs/dbraw/zinc/05/06/24/361050624.db2.gz BOHPFAYKXYIKCY-GJZGRUSLSA-N 2 0 264.413 1.831 20 30 CDEDRP CC(C)(C#N)CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000157946151 361058796 /nfs/dbraw/zinc/05/87/96/361058796.db2.gz BUHFBDDRTQNOHZ-UHFFFAOYSA-N 2 0 279.428 1.970 20 30 CDEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCc2ccccc2OC)C1 ZINC000170905407 365158616 /nfs/dbraw/zinc/15/86/16/365158616.db2.gz DCWKDOZJUHWGKE-ZDUSSCGKSA-N 2 0 290.411 1.441 20 30 CDEDRP N#Cc1ccc(C[NH2+][C@H]2CCn3ccnc3C2)c(F)c1 ZINC000548294739 366885423 /nfs/dbraw/zinc/88/54/23/366885423.db2.gz IDZSZHYPQRZHST-ZDUSSCGKSA-N 2 0 270.311 1.998 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000164415542 371311311 /nfs/dbraw/zinc/31/13/11/371311311.db2.gz VLXMPLFMDSLZIM-CQSZACIVSA-N 2 0 267.417 1.483 20 30 CDEDRP CC1(C)CC(NC(=O)NCC[NH+]2CCC2)CC(C)(C)[NH2+]1 ZINC000328653773 375910395 /nfs/dbraw/zinc/91/03/95/375910395.db2.gz LIZOWGMGRMKYIU-UHFFFAOYSA-N 2 0 282.432 1.505 20 30 CDEDRP CN(C(=[NH2+])NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000195290659 376000089 /nfs/dbraw/zinc/00/00/89/376000089.db2.gz WZKMLDSZOUUKOF-HNNXBMFYSA-N 2 0 286.423 1.917 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000417528892 377878129 /nfs/dbraw/zinc/87/81/29/377878129.db2.gz PBASDTNTDMYCKF-HNNXBMFYSA-N 2 0 294.443 1.454 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[NH2+]C)CC1 ZINC000417524238 377847641 /nfs/dbraw/zinc/84/76/41/377847641.db2.gz JSBWUBICWBHEDR-CQSZACIVSA-N 2 0 280.416 1.030 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](C)[NH2+]C1CC1)C(C)C ZINC000296361808 378727790 /nfs/dbraw/zinc/72/77/90/378727790.db2.gz JNMOQIMRTKKLRF-GOEBONIOSA-N 2 0 293.455 1.942 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC[C@H](C)C[NH+]1CCCC1 ZINC000103338418 390476251 /nfs/dbraw/zinc/47/62/51/390476251.db2.gz VFRFVZMOWCHHPC-ZDUSSCGKSA-N 2 0 278.400 1.677 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])[C@@H](C)CC)CC1 ZINC000237019061 390649320 /nfs/dbraw/zinc/64/93/20/390649320.db2.gz PXSYTPUNOQGUJF-AAEUAGOBSA-N 2 0 253.390 1.126 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000356264985 391243278 /nfs/dbraw/zinc/24/32/78/391243278.db2.gz NKQMYLCFUJACMY-CYBMUJFWSA-N 2 0 281.444 1.920 20 30 CDEDRP CN(CC[N@H+](C)[C@H]1CC[C@@H](C#N)C1)C1CC[NH+](C)CC1 ZINC000339053781 391247524 /nfs/dbraw/zinc/24/75/24/391247524.db2.gz IUDKSKUIIXYHFV-ZBFHGGJFSA-N 2 0 278.444 1.636 20 30 CDEDRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442712025 391732578 /nfs/dbraw/zinc/73/25/78/391732578.db2.gz FYZOATYEWHXFMB-HUUCEWRRSA-N 2 0 264.417 1.296 20 30 CDEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191300976 130219009 /nfs/dbraw/zinc/21/90/09/130219009.db2.gz BVVCPVDWMUVYHR-HNNXBMFYSA-N 2 0 278.400 1.343 20 30 CDEDRP C=CCOCC[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660474865 413153034 /nfs/dbraw/zinc/15/30/34/413153034.db2.gz NWQOWRXSAKVZSW-HNNXBMFYSA-N 2 0 268.401 1.376 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccncc1C ZINC000162896002 261297673 /nfs/dbraw/zinc/29/76/73/261297673.db2.gz GJIJCZYXOJUUJT-HNNXBMFYSA-N 2 0 289.427 1.321 20 30 CDEDRP COc1ccccc1CNC(=[NH2+])NC[C@H](C)C[NH+](C)C ZINC000292000525 263127219 /nfs/dbraw/zinc/12/72/19/263127219.db2.gz XMPKKCSEKBRSLB-LBPRGKRZSA-N 2 0 278.400 1.297 20 30 CDEDRP C=CC[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000661384370 424293096 /nfs/dbraw/zinc/29/30/96/424293096.db2.gz INKLJSFKTBJPLQ-GJZGRUSLSA-N 2 0 254.418 1.976 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653117874 424302551 /nfs/dbraw/zinc/30/25/51/424302551.db2.gz XYQKEWIFLCFLLU-ZDUSSCGKSA-N 2 0 265.401 1.143 20 30 CDEDRP N#Cc1cccc(CN2CCN(c3ncc[nH]3)CC2)c1F ZINC000577122694 317270708 /nfs/dbraw/zinc/27/07/08/317270708.db2.gz WJBQQWDWRNVBGD-UHFFFAOYSA-N 2 0 285.326 1.743 20 30 CDEDRP C[C@@H](CC[NH2+]C[C@H](O)CN(C)CCC#N)[NH+]1CCCCC1 ZINC000564872956 327061695 /nfs/dbraw/zinc/06/16/95/327061695.db2.gz JULXGPAGHVHNSE-HOTGVXAUSA-N 2 0 296.459 1.047 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000378204382 329043038 /nfs/dbraw/zinc/04/30/38/329043038.db2.gz UNRWRLIKWJAVGF-UHFFFAOYSA-N 2 0 299.418 1.249 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(C)CCCC[C@H]1O ZINC000262430825 330010227 /nfs/dbraw/zinc/01/02/27/330010227.db2.gz OIIDFVLGJFDGNM-FMKPAKJESA-N 2 0 296.459 1.316 20 30 CDEDRP C=CC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423153102 330173035 /nfs/dbraw/zinc/17/30/35/330173035.db2.gz MYOSLSQRKODYJL-MELADBBJSA-N 2 0 252.402 1.945 20 30 CDEDRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424131692 330263843 /nfs/dbraw/zinc/26/38/43/330263843.db2.gz JPXLNDJCAFFKCO-CABCVRRESA-N 2 0 294.443 1.636 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000424133824 330266439 /nfs/dbraw/zinc/26/64/39/330266439.db2.gz MSTYVXVNTJKHLG-CQSZACIVSA-N 2 0 278.400 1.094 20 30 CDEDRP C[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]1CCC(C)CC1 ZINC000424140628 330281212 /nfs/dbraw/zinc/28/12/12/330281212.db2.gz BMBVJKKFNWAXDN-ZIAGYGMSSA-N 2 0 280.416 1.244 20 30 CDEDRP C#CC[NH+](C)CCCN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000491164670 332158906 /nfs/dbraw/zinc/15/89/06/332158906.db2.gz DIPMZHPGBWSAOO-GJZGRUSLSA-N 2 0 251.418 1.261 20 30 CDEDRP C#CCNC(=O)CC[NH2+]CCCCC[NH+]1CCCCC1 ZINC000491415424 332207557 /nfs/dbraw/zinc/20/75/57/332207557.db2.gz HHJKMHVTTANENC-UHFFFAOYSA-N 2 0 279.428 1.372 20 30 CDEDRP C#CCNC(=O)CC[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000491747059 332324578 /nfs/dbraw/zinc/32/45/78/332324578.db2.gz CCYHMBPGEDVGLE-HOTGVXAUSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001088426075 1160403824 /nfs/dbraw/zinc/40/38/24/1160403824.db2.gz LDWYGXHVOMNBKA-HNNXBMFYSA-N 2 0 279.428 1.629 20 30 CDEDRP C=C(C)CN1CCC([NH2+][C@@H](C)Cn2cncn2)CC1 ZINC000657874813 482907779 /nfs/dbraw/zinc/90/77/79/482907779.db2.gz AXVAGLPLSGDSIP-ZDUSSCGKSA-N 2 0 263.389 1.297 20 30 CDEDRP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C(C)(C)C ZINC001755840310 1160623758 /nfs/dbraw/zinc/62/37/58/1160623758.db2.gz WSEMVIIQQNJJHA-CABCVRRESA-N 2 0 293.455 1.615 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H]1C ZINC001088858135 1161024064 /nfs/dbraw/zinc/02/40/64/1161024064.db2.gz PPPAXFXHIYOIFX-KFWWJZLASA-N 2 0 277.412 1.073 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000730282305 574909735 /nfs/dbraw/zinc/90/97/35/574909735.db2.gz FWCPOVDDWZJINJ-KGLIPLIRSA-N 2 0 286.379 1.213 20 30 CDEDRP C[C@@H](C#N)CN[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771557682 575589975 /nfs/dbraw/zinc/58/99/75/575589975.db2.gz KHUHXUZUCPEAGC-AWEZNQCLSA-N 2 0 285.395 1.522 20 30 CDEDRP C#CCN1CCN(C(=O)C[N@H+]2CCCC(C)(C)CC2)CC1 ZINC000748824753 576928213 /nfs/dbraw/zinc/92/82/13/576928213.db2.gz OJZBGYAKFPVBAO-UHFFFAOYSA-N 2 0 291.439 1.276 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CC)C[C@H]2C)CC1 ZINC000980815300 613129771 /nfs/dbraw/zinc/12/97/71/613129771.db2.gz BHGDFSCPCTTZNC-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000982018266 613489447 /nfs/dbraw/zinc/48/94/47/613489447.db2.gz AIBKNVGKBNENRC-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000981825585 613495575 /nfs/dbraw/zinc/49/55/75/613495575.db2.gz VLTSWCFIRKWYBQ-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000951200681 613503106 /nfs/dbraw/zinc/50/31/06/613503106.db2.gz LRPXPDGXMUQUSM-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000968780396 613544770 /nfs/dbraw/zinc/54/47/70/613544770.db2.gz FEAAUIFMHMPFFW-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977604214 613555066 /nfs/dbraw/zinc/55/50/66/613555066.db2.gz VPBAXWWGOAHGNH-KBPBESRZSA-N 2 0 279.428 1.341 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000948246125 613559614 /nfs/dbraw/zinc/55/96/14/613559614.db2.gz VSKYOIGKGAKSFM-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[NH+]1CC([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC000970341485 613674241 /nfs/dbraw/zinc/67/42/41/613674241.db2.gz YKVQFJUICPLHIW-LBPRGKRZSA-N 2 0 291.395 1.577 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948742399 613703986 /nfs/dbraw/zinc/70/39/86/613703986.db2.gz IJVXMRGRBRMHSW-INIZCTEOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947935939 613740920 /nfs/dbraw/zinc/74/09/20/613740920.db2.gz SDHUAIMYTMKYGJ-UONOGXRCSA-N 2 0 277.412 1.237 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000943332966 613742730 /nfs/dbraw/zinc/74/27/30/613742730.db2.gz GSOLEZDSKVXFDM-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000981414846 613860468 /nfs/dbraw/zinc/86/04/68/613860468.db2.gz PNYPAASQAPLHKE-HZPDHXFCSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000157397948 617985335 /nfs/dbraw/zinc/98/53/35/617985335.db2.gz SNVGROMBZSHRCH-CQSZACIVSA-N 2 0 266.433 1.835 20 30 CDEDRP CC[C@@H](CNC(=[NH2+])N1CCSCC1)[NH+]1CCCC1 ZINC000104166891 617979060 /nfs/dbraw/zinc/97/90/60/617979060.db2.gz DXJWLURDBZMJCX-LBPRGKRZSA-N 2 0 270.446 1.224 20 30 CDEDRP C#CC[C@H](CO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000883124589 619805902 /nfs/dbraw/zinc/80/59/02/619805902.db2.gz KWEFUBPZIDBSLJ-OAHLLOKOSA-N 2 0 264.413 1.757 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC(NCC3([NH3+])CC3)CC2)cc1 ZINC000902414246 624819616 /nfs/dbraw/zinc/81/96/16/624819616.db2.gz UMASEDGATFVVHL-UHFFFAOYSA-N 2 0 284.407 1.604 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000908436810 628200331 /nfs/dbraw/zinc/20/03/31/628200331.db2.gz VOXBXIYVNLSNAQ-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000911655881 629402232 /nfs/dbraw/zinc/40/22/32/629402232.db2.gz KWIMNSYIWIXVCZ-UONOGXRCSA-N 2 0 269.433 1.885 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C ZINC000911724340 629440596 /nfs/dbraw/zinc/44/05/96/629440596.db2.gz KUBAQMORNYCLCM-KGLIPLIRSA-N 2 0 269.433 1.885 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001271953473 1160382890 /nfs/dbraw/zinc/38/28/90/1160382890.db2.gz GIZYRUAADZYKTL-QGZVFWFLSA-N 2 0 291.439 1.583 20 30 CDEDRP CC#CC[NH2+][C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001752901382 1161935187 /nfs/dbraw/zinc/93/51/87/1161935187.db2.gz PIOKDEJTVYDWOH-CZUORRHYSA-N 2 0 297.418 1.317 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001133253530 1163619730 /nfs/dbraw/zinc/61/97/30/1163619730.db2.gz IXXHDPWEIKFGMS-JKSUJKDBSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858159 1164109142 /nfs/dbraw/zinc/10/91/42/1164109142.db2.gz OYUYTEZSUWBJLG-ZIAGYGMSSA-N 2 0 279.428 1.674 20 30 CDEDRP C#CCN(C[C@@H]1CCC[C@@]2(CCOC2)O1)C1CC[NH2+]CC1 ZINC001574667273 1170999006 /nfs/dbraw/zinc/99/90/06/1170999006.db2.gz OKPURBHIRPMKFU-IRXDYDNUSA-N 2 0 292.423 1.402 20 30 CDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(C2C[NH2+]C2)no1 ZINC001574959625 1171062020 /nfs/dbraw/zinc/06/20/20/1171062020.db2.gz DFAXHVIHUOQJRX-OCCSQVGLSA-N 2 0 263.341 1.185 20 30 CDEDRP CC(C)(C#N)c1ccc(C[NH+]2CCN(C3C[NH2+]C3)CC2)cc1 ZINC001575100532 1171112320 /nfs/dbraw/zinc/11/23/20/1171112320.db2.gz SUPQWLMEFXEGTR-UHFFFAOYSA-N 2 0 298.434 1.577 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001717201985 1180569938 /nfs/dbraw/zinc/56/99/38/1180569938.db2.gz MGEWOWADXHNESQ-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001717540734 1180729094 /nfs/dbraw/zinc/72/90/94/1180729094.db2.gz RJQYMYYKDUKNKK-GJZGRUSLSA-N 2 0 279.428 1.321 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001752941704 1184972743 /nfs/dbraw/zinc/97/27/43/1184972743.db2.gz ODBRSYMTUXNCKR-OWCLPIDISA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001753039538 1185006432 /nfs/dbraw/zinc/00/64/32/1185006432.db2.gz DVQINWIGXDXNFY-HNNXBMFYSA-N 2 0 279.428 1.629 20 30 CDEDRP C=CC[NH+](C)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001753074162 1185040374 /nfs/dbraw/zinc/04/03/74/1185040374.db2.gz BHXCPLVERORQFE-BETUJISGSA-N 2 0 253.390 1.093 20 30 CDEDRP C#CCC[N@H+](CCC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001753145554 1185084862 /nfs/dbraw/zinc/08/48/62/1185084862.db2.gz MICYWBFKFUKOHN-UHFFFAOYSA-N 2 0 291.439 1.466 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001753446624 1185210808 /nfs/dbraw/zinc/21/08/08/1185210808.db2.gz KLTCFAQEIOCEBE-HNNXBMFYSA-N 2 0 281.444 1.827 20 30 CDEDRP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)CC[NH+](C)C ZINC001753741658 1185325537 /nfs/dbraw/zinc/32/55/37/1185325537.db2.gz AUOAYAJEHNECFQ-AWEZNQCLSA-N 2 0 267.417 1.082 20 30 CDEDRP CC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001753810750 1185341254 /nfs/dbraw/zinc/34/12/54/1185341254.db2.gz BVGCQARNMCGKSE-CVEARBPZSA-N 2 0 293.455 1.568 20 30 CDEDRP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001754162064 1185488798 /nfs/dbraw/zinc/48/87/98/1185488798.db2.gz OPSNJZNIMXUGAI-LUNKNMTDSA-N 2 0 279.428 1.555 20 30 CDEDRP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001754206845 1185504731 /nfs/dbraw/zinc/50/47/31/1185504731.db2.gz VYXKMHXEEVALEG-ZRUQZJFASA-N 2 0 265.401 1.166 20 30 CDEDRP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001754337348 1185586130 /nfs/dbraw/zinc/58/61/30/1185586130.db2.gz UPBBLEVRFGEVLJ-GJZGRUSLSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001754379403 1185602616 /nfs/dbraw/zinc/60/26/16/1185602616.db2.gz STDQJUJOPBKKQP-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001754794614 1185733624 /nfs/dbraw/zinc/73/36/24/1185733624.db2.gz DWPJVKBMMBOIJM-CABCVRRESA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001754796527 1185734207 /nfs/dbraw/zinc/73/42/07/1185734207.db2.gz CSACYDKISHQZCJ-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001754806111 1185736296 /nfs/dbraw/zinc/73/62/96/1185736296.db2.gz XEUHTARSFNLVCK-GJZGRUSLSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001755042071 1185795854 /nfs/dbraw/zinc/79/58/54/1185795854.db2.gz ITWCJOOHTRNXTG-INIZCTEOSA-N 2 0 293.455 1.522 20 30 CDEDRP C=CCC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001755110889 1185819645 /nfs/dbraw/zinc/81/96/45/1185819645.db2.gz VFBBXOFFCJEPSM-KGLIPLIRSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)CCC ZINC001755201775 1185852210 /nfs/dbraw/zinc/85/22/10/1185852210.db2.gz VLDOXRCXZLBGEH-OAHLLOKOSA-N 2 0 279.428 1.274 20 30 CDEDRP CC#CC[N@H+](C)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001755328708 1185920194 /nfs/dbraw/zinc/92/01/94/1185920194.db2.gz SKCNNJGUXSZGFH-OAHLLOKOSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC001755761750 1186059499 /nfs/dbraw/zinc/05/94/99/1186059499.db2.gz NUCLXCSIUBCTQE-OAHLLOKOSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)CC1(C)C ZINC001755765116 1186061213 /nfs/dbraw/zinc/06/12/13/1186061213.db2.gz IVKCCNKXQBYCCA-ZDUSSCGKSA-N 2 0 267.417 1.341 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133820100 1163908504 /nfs/dbraw/zinc/90/85/04/1163908504.db2.gz YKRSGWRCOLZXDJ-KGLIPLIRSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCCC[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273487925 1164359246 /nfs/dbraw/zinc/35/92/46/1164359246.db2.gz VUVFPRWUSJAZOZ-INIZCTEOSA-N 2 0 279.428 1.581 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001015937594 735289612 /nfs/dbraw/zinc/28/96/12/735289612.db2.gz FRZFXBGVIXEHFR-HNNXBMFYSA-N 2 0 296.374 1.862 20 30 CDEDRP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033942248 735308974 /nfs/dbraw/zinc/30/89/74/735308974.db2.gz YITBOVGLHUAVFK-INIZCTEOSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000999346324 735322095 /nfs/dbraw/zinc/32/20/95/735322095.db2.gz DMXRULKYLLRQOD-CYBMUJFWSA-N 2 0 265.401 1.237 20 30 CDEDRP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH+]=C(N(C)C)N(C)C)C1 ZINC000261976068 735354431 /nfs/dbraw/zinc/35/44/31/735354431.db2.gz FYKOSUHCZZIOEB-CYBMUJFWSA-N 2 0 268.449 1.976 20 30 CDEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000801925181 735374684 /nfs/dbraw/zinc/37/46/84/735374684.db2.gz ZVGUGTMVTCODGE-GJZGRUSLSA-N 2 0 283.416 1.348 20 30 CDEDRP C=CCC[C@@H](O)C[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001252616846 1164664606 /nfs/dbraw/zinc/66/46/06/1164664606.db2.gz UTTRARVVUAMVQG-OAHLLOKOSA-N 2 0 270.417 1.404 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001054853669 735464456 /nfs/dbraw/zinc/46/44/56/735464456.db2.gz IUJQQOGXMYZJQZ-UONOGXRCSA-N 2 0 277.412 1.237 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001009203857 735491265 /nfs/dbraw/zinc/49/12/65/735491265.db2.gz SUTQSFCSUQEBEL-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000997135013 735816979 /nfs/dbraw/zinc/81/69/79/735816979.db2.gz ACERADHFSDCRIB-UHFFFAOYSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2ccnc2C)C1 ZINC001033657872 735881646 /nfs/dbraw/zinc/88/16/46/735881646.db2.gz NYWGHRRNXSBMIY-CQSZACIVSA-N 2 0 276.384 1.300 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000998979142 735894916 /nfs/dbraw/zinc/89/49/16/735894916.db2.gz DUQRYLCULSESRE-UHFFFAOYSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049902992 736021932 /nfs/dbraw/zinc/02/19/32/736021932.db2.gz WDIOYUWMDPONFG-CABCVRRESA-N 2 0 277.412 1.334 20 30 CDEDRP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001032444668 736029361 /nfs/dbraw/zinc/02/93/61/736029361.db2.gz IKHHPPMFDGASJV-JYJNAYRXSA-N 2 0 291.439 1.720 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998718070 733310614 /nfs/dbraw/zinc/31/06/14/733310614.db2.gz AWQMUEPZOZKUJN-QWHCGFSZSA-N 2 0 285.819 1.414 20 30 CDEDRP C=C(C)C[NH+](C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000985653309 733445598 /nfs/dbraw/zinc/44/55/98/733445598.db2.gz LCTJWTPEEVPJQF-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[N@H+]1CC=C(CNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001000947935 733498975 /nfs/dbraw/zinc/49/89/75/733498975.db2.gz UZSXKNHKKPSQOQ-UHFFFAOYSA-N 2 0 294.358 1.329 20 30 CDEDRP C=CCC[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044185868 733524599 /nfs/dbraw/zinc/52/45/99/733524599.db2.gz FWTBUYZVQJITMV-CYBMUJFWSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703355 733623407 /nfs/dbraw/zinc/62/34/07/733623407.db2.gz IABORZDQCGCZAW-HNNXBMFYSA-N 2 0 291.439 1.487 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001072800525 733670520 /nfs/dbraw/zinc/67/05/20/733670520.db2.gz SJHHONHCTGTGIY-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023372475 733706059 /nfs/dbraw/zinc/70/60/59/733706059.db2.gz SXOHYIVJGIROMA-ZBFHGGJFSA-N 2 0 291.439 1.342 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027883898 733756424 /nfs/dbraw/zinc/75/64/24/733756424.db2.gz DSYXBRFEGDREOP-CVEARBPZSA-N 2 0 291.439 1.485 20 30 CDEDRP CC(C)CNC(=[NH2+])NCC(C)(C)[NH+]1CCCCC1 ZINC000303791092 733805009 /nfs/dbraw/zinc/80/50/09/733805009.db2.gz WYUFWWYPSVTSBE-UHFFFAOYSA-N 2 0 254.422 1.811 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC)C1 ZINC001027446875 733891037 /nfs/dbraw/zinc/89/10/37/733891037.db2.gz WBOQNWQIDZSSHM-GJZGRUSLSA-N 2 0 277.412 1.027 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001039050711 734092870 /nfs/dbraw/zinc/09/28/70/734092870.db2.gz PISNWFNUJYNAPK-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP CC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000304989636 734103277 /nfs/dbraw/zinc/10/32/77/734103277.db2.gz COIZGJODNASBBS-QWHCGFSZSA-N 2 0 254.422 1.667 20 30 CDEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000999828186 734108627 /nfs/dbraw/zinc/10/86/27/734108627.db2.gz DWOARGKABGTJQK-IYXRBSQSSA-N 2 0 265.401 1.093 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC000999318837 734132893 /nfs/dbraw/zinc/13/28/93/734132893.db2.gz OMOHRTCKQKYVQO-UHFFFAOYSA-N 2 0 289.379 1.167 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001018870889 734165941 /nfs/dbraw/zinc/16/59/41/734165941.db2.gz RLBMWVGKFXQUEH-MELADBBJSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001032207126 734218025 /nfs/dbraw/zinc/21/80/25/734218025.db2.gz XKNXBTQHGUPEOW-UHFFFAOYSA-N 2 0 287.407 1.596 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000996477705 734241062 /nfs/dbraw/zinc/24/10/62/734241062.db2.gz MWGYJTWEHRKFET-ZBFHGGJFSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021735895 734247453 /nfs/dbraw/zinc/24/74/53/734247453.db2.gz JGAYXQHPSKLMOD-HZPDHXFCSA-N 2 0 291.439 1.581 20 30 CDEDRP CN1CC[NH+](CCCCNC(=[NH2+])N2CCCCCC2)CC1 ZINC000305093081 734267936 /nfs/dbraw/zinc/26/79/36/734267936.db2.gz XYHNONXYHUTCHG-UHFFFAOYSA-N 2 0 295.475 1.205 20 30 CDEDRP CCNC(NC[C@H]1[N@H+](C)CCCC1(C)C)=[NH+]CC ZINC000849023853 734302123 /nfs/dbraw/zinc/30/21/23/734302123.db2.gz IEUGSBFJEPYGRG-GFCCVEGCSA-N 2 0 254.422 1.682 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001006919773 734339940 /nfs/dbraw/zinc/33/99/40/734339940.db2.gz UZKGRSCKIOAJCT-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC[C@H](O)c1ccc(C#N)cc1 ZINC000923369549 734399822 /nfs/dbraw/zinc/39/98/22/734399822.db2.gz KNWZYFVYWFYKIJ-MPTQWLOMSA-N 2 0 273.380 1.568 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001028637589 734414934 /nfs/dbraw/zinc/41/49/34/734414934.db2.gz YKQZCCVGMFMVRA-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP CCOCCCNC(=[NH2+])NCC[C@@H](C)[NH+]1CCCCC1 ZINC000181500300 734421395 /nfs/dbraw/zinc/42/13/95/734421395.db2.gz VKQYSRLULONNTK-CQSZACIVSA-N 2 0 284.448 1.582 20 30 CDEDRP CC(C)C[C@](C)(C[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884035157 734509013 /nfs/dbraw/zinc/50/90/13/734509013.db2.gz SSQGSRDMCXLZDT-RIALXRMPSA-N 2 0 292.427 1.005 20 30 CDEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001039377234 734587474 /nfs/dbraw/zinc/58/74/74/734587474.db2.gz MVJXALKZUYLTNL-LVQVYYBASA-N 2 0 291.439 1.578 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001020239184 734589532 /nfs/dbraw/zinc/58/95/32/734589532.db2.gz RJKWSLDPDITOLF-IIAWOOMASA-N 2 0 289.423 1.263 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000987521685 734623052 /nfs/dbraw/zinc/62/30/52/734623052.db2.gz CZOKBPFQFPJESR-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000985439839 734639906 /nfs/dbraw/zinc/63/99/06/734639906.db2.gz BBQXDUNMIYNNFB-JKSUJKDBSA-N 2 0 291.439 1.273 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001022808103 734688604 /nfs/dbraw/zinc/68/86/04/734688604.db2.gz PXEKBIJGNSERRG-QLFBSQMISA-N 2 0 277.412 1.119 20 30 CDEDRP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001027575703 734688843 /nfs/dbraw/zinc/68/88/43/734688843.db2.gz CJRZUGATQXBHJJ-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000303905519 734788406 /nfs/dbraw/zinc/78/84/06/734788406.db2.gz ZMGQMYVCYGQFTP-YDHLFZDLSA-N 2 0 284.448 1.436 20 30 CDEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001005406519 734840448 /nfs/dbraw/zinc/84/04/48/734840448.db2.gz DCPFTBXLJXMCIO-GDBMZVCRSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)Cc2cncn2C)C1 ZINC001034491503 734861000 /nfs/dbraw/zinc/86/10/00/734861000.db2.gz VSMOEVNUBXICEH-AWEZNQCLSA-N 2 0 290.411 1.509 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023747101 734866112 /nfs/dbraw/zinc/86/61/12/734866112.db2.gz ZRUXFPNDYNQPIM-LSDHHAIUSA-N 2 0 279.428 1.342 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033416727 734906941 /nfs/dbraw/zinc/90/69/41/734906941.db2.gz QZZVNBBLCFXFMD-GJZGRUSLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000985491119 734959495 /nfs/dbraw/zinc/95/94/95/734959495.db2.gz ATRICKSQAKDFGD-OAHLLOKOSA-N 2 0 281.444 1.826 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001014988921 734975112 /nfs/dbraw/zinc/97/51/12/734975112.db2.gz DFMIALSVVNJQNX-ZIAGYGMSSA-N 2 0 288.395 1.212 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1cnn(C2CCC2)c1 ZINC000922147468 734985852 /nfs/dbraw/zinc/98/58/52/734985852.db2.gz XTQKTHCWVOORFB-UHFFFAOYSA-N 2 0 260.385 1.653 20 30 CDEDRP CCN(CC)C(=[NH2+])NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000303890234 735001991 /nfs/dbraw/zinc/00/19/91/735001991.db2.gz MMAZAAJMKOZLCE-OLZOCXBDSA-N 2 0 254.422 1.906 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001031806742 735035734 /nfs/dbraw/zinc/03/57/34/735035734.db2.gz MTGJRFPFJPBPIO-MRXNPFEDSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001028335678 735108315 /nfs/dbraw/zinc/10/83/15/735108315.db2.gz ZFMSNKQOZZQOQZ-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001027680571 735123160 /nfs/dbraw/zinc/12/31/60/735123160.db2.gz HPPNJBDXANLAOK-ZIAGYGMSSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CCN(CCCn1ccnc1C)CC(=O)OCC ZINC000127319467 735132385 /nfs/dbraw/zinc/13/23/85/735132385.db2.gz HRDRRWRKRRFYEW-UHFFFAOYSA-N 2 0 265.357 1.633 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034037399 735175216 /nfs/dbraw/zinc/17/52/16/735175216.db2.gz CODSUDZAQLLIGM-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CCCN1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000151921487 735220171 /nfs/dbraw/zinc/22/01/71/735220171.db2.gz JGCIKQGVBDSHEY-UHFFFAOYSA-N 2 0 282.347 1.115 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001019468259 735231009 /nfs/dbraw/zinc/23/10/09/735231009.db2.gz MWVZVABRMZZSAP-GJZGRUSLSA-N 2 0 277.412 1.073 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033837467 735240100 /nfs/dbraw/zinc/24/01/00/735240100.db2.gz IDWYNLBUMJBJHL-OWCLPIDISA-N 2 0 293.455 1.826 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993760944 735262206 /nfs/dbraw/zinc/26/22/06/735262206.db2.gz OIYSXSQCRQPIQZ-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001002146278 735274904 /nfs/dbraw/zinc/27/49/04/735274904.db2.gz ZBWUFPMWPDZABO-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001031665638 735639152 /nfs/dbraw/zinc/63/91/52/735639152.db2.gz CDDOBRXUGTYDTC-CQSZACIVSA-N 2 0 265.401 1.093 20 30 CDEDRP CC(C)NC(=[NH2+])NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000303892630 735653681 /nfs/dbraw/zinc/65/36/81/735653681.db2.gz NTFWYDSNXHFPDR-ZDUSSCGKSA-N 2 0 266.364 1.741 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC1 ZINC001045073241 735654049 /nfs/dbraw/zinc/65/40/49/735654049.db2.gz ACUAGHZSXMIHSV-HOTGVXAUSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001022076970 735699238 /nfs/dbraw/zinc/69/92/38/735699238.db2.gz GXVBTUXBBMBJNX-XQLPTFJDSA-N 2 0 277.412 1.284 20 30 CDEDRP C=CCN(CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C(C)C ZINC000790372192 735727492 /nfs/dbraw/zinc/72/74/92/735727492.db2.gz TZBGENMVUZPEKE-MRXNPFEDSA-N 2 0 293.411 1.757 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997012852 735808930 /nfs/dbraw/zinc/80/89/30/735808930.db2.gz YLGNMVITDPCWPP-DZGCQCFKSA-N 2 0 279.428 1.341 20 30 CDEDRP C[NH+]=C(NC[C@H](C(C)C)[NH+]1CCCC1)NC1CC1 ZINC000848984178 735971746 /nfs/dbraw/zinc/97/17/46/735971746.db2.gz WDAAFURVDHNQSZ-CYBMUJFWSA-N 2 0 252.406 1.434 20 30 CDEDRP CC[C@H](C)NC(=[NH2+])NCCC[N@@H+]1CCCC[C@H]1C ZINC000303256575 736062762 /nfs/dbraw/zinc/06/27/62/736062762.db2.gz IEWAWVOOYRRTSS-QWHCGFSZSA-N 2 0 254.422 1.954 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC ZINC001037854555 736129689 /nfs/dbraw/zinc/12/96/89/736129689.db2.gz QQMAZJSXXTWKQW-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000923298289 736296655 /nfs/dbraw/zinc/29/66/55/736296655.db2.gz ACNKWHBHUYBOJF-HOCLYGCPSA-N 2 0 291.395 1.261 20 30 CDEDRP N#CCC1CCC([NH2+]CCCOCCOCCC[NH3+])CC1 ZINC001173330126 912431019 /nfs/dbraw/zinc/43/10/19/912431019.db2.gz UZLINOYTVGSTNL-UHFFFAOYSA-N 2 0 297.443 1.821 20 30 CDEDRP N#Cc1ccc(C(=O)N2CCC([NH2+]C3CC([NH3+])C3)CC2)cc1 ZINC001173425424 912542492 /nfs/dbraw/zinc/54/24/92/912542492.db2.gz UOWNLZSEBHDRML-UHFFFAOYSA-N 2 0 298.390 1.242 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001106313026 913852700 /nfs/dbraw/zinc/85/27/00/913852700.db2.gz SSUCWBLWCMSQCD-RBSFLKMASA-N 2 0 279.428 1.034 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001267019513 896577541 /nfs/dbraw/zinc/57/75/41/896577541.db2.gz VGGSVKFQJQUTMW-AWEZNQCLSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106634834 914080178 /nfs/dbraw/zinc/08/01/78/914080178.db2.gz NWOPZJZBRGNQKH-RBSFLKMASA-N 2 0 281.444 1.443 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001167639595 897137914 /nfs/dbraw/zinc/13/79/14/897137914.db2.gz CWXVOGWKUURZJA-UHFFFAOYSA-N 2 0 281.444 1.780 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2nnc(CC[NH3+])n2)cc1 ZINC001167793028 900812739 /nfs/dbraw/zinc/81/27/39/900812739.db2.gz TUOLLFHNXKKPAP-OAHLLOKOSA-N 2 0 298.394 1.486 20 30 CDEDRP CC/[NH+]=C(/N(C)C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000429093481 905365659 /nfs/dbraw/zinc/36/56/59/905365659.db2.gz VLOPYUZIBBOTSW-FARYLTDUSA-N 2 0 252.406 1.484 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168031370 905951756 /nfs/dbraw/zinc/95/17/56/905951756.db2.gz ZSLOJFNZDOTJLE-GJZGRUSLSA-N 2 0 279.428 1.675 20 30 CDEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093194025 909682540 /nfs/dbraw/zinc/68/25/40/909682540.db2.gz UIZFYQLHLXTAES-KWCYVHTRSA-N 2 0 299.846 1.375 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001088835574 910017898 /nfs/dbraw/zinc/01/78/98/910017898.db2.gz CYLDBNBZVKDXLJ-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@H]1C ZINC001178817472 915664291 /nfs/dbraw/zinc/66/42/91/915664291.db2.gz DUCBTPVTNXUPPH-MJBXVCDLSA-N 2 0 285.407 1.431 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)C[C@@H](C)n1ccnc1 ZINC001179706062 915945354 /nfs/dbraw/zinc/94/53/54/915945354.db2.gz UYMOIHCHGNNEMJ-OAHLLOKOSA-N 2 0 290.411 1.734 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)C[NH+](CC)CC ZINC001179850610 916012327 /nfs/dbraw/zinc/01/23/27/916012327.db2.gz IAUKPCALGMOOAL-UHFFFAOYSA-N 2 0 281.444 1.618 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)[C@H]1C ZINC001180020057 916125123 /nfs/dbraw/zinc/12/51/23/916125123.db2.gz BMMTYBZZWQKVTC-ZOBUZTSGSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001180264786 916232486 /nfs/dbraw/zinc/23/24/86/916232486.db2.gz KRDNIZNXRIRDKH-HNNXBMFYSA-N 2 0 281.444 1.780 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001185716368 919728130 /nfs/dbraw/zinc/72/81/30/919728130.db2.gz VJGKLRDVHJYEBD-KGLIPLIRSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001185761389 919745532 /nfs/dbraw/zinc/74/55/32/919745532.db2.gz GVVJPIDFJLNKDQ-HUUCEWRRSA-N 2 0 281.444 1.587 20 30 CDEDRP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1CC[NH+](C)CC1 ZINC001272888274 919964630 /nfs/dbraw/zinc/96/46/30/919964630.db2.gz UGNGYVJVBPDWSG-HZPDHXFCSA-N 2 0 289.423 1.027 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001203047058 936724595 /nfs/dbraw/zinc/72/45/95/936724595.db2.gz RGSXPMGPRNUJBJ-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128773522 922408004 /nfs/dbraw/zinc/40/80/04/922408004.db2.gz AMEPPJJYMHLILH-ZDUSSCGKSA-N 2 0 253.390 1.143 20 30 CDEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192679183 923189047 /nfs/dbraw/zinc/18/90/47/923189047.db2.gz BRSQRKNFDFKLTN-MRXNPFEDSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203104028 936830222 /nfs/dbraw/zinc/83/02/22/936830222.db2.gz PKUXXTQKTADCKQ-ZIAGYGMSSA-N 2 0 291.439 1.367 20 30 CDEDRP C=CCn1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cn1 ZINC001205618449 923408923 /nfs/dbraw/zinc/40/89/23/923408923.db2.gz WDRWMLBUJRHZHH-ZFWWWQNUSA-N 2 0 262.401 1.876 20 30 CDEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194037259 924023774 /nfs/dbraw/zinc/02/37/74/924023774.db2.gz FPBOQKKBDUPQNL-HNNXBMFYSA-N 2 0 279.428 1.581 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194037608 924029268 /nfs/dbraw/zinc/02/92/68/924029268.db2.gz GZYQQKMEJYQHCZ-OAHLLOKOSA-N 2 0 279.428 1.581 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001100785471 936937152 /nfs/dbraw/zinc/93/71/52/936937152.db2.gz LRDUDBYPZQGFGY-UHFFFAOYSA-N 2 0 291.439 1.226 20 30 CDEDRP C=CCC[N@H+]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001196009866 924784170 /nfs/dbraw/zinc/78/41/70/924784170.db2.gz FZGMYZZWQVHSCI-HNNXBMFYSA-N 2 0 299.434 1.777 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100984958 936951250 /nfs/dbraw/zinc/95/12/50/936951250.db2.gz VXDUNJKZPFTRJP-UHFFFAOYSA-N 2 0 265.401 1.143 20 30 CDEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345168 936969954 /nfs/dbraw/zinc/96/99/54/936969954.db2.gz WRSRUYMUVDGRRN-WBVHZDCISA-N 2 0 291.439 1.132 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001085518796 926108204 /nfs/dbraw/zinc/10/82/04/926108204.db2.gz ZKEXYUKEGIWQJG-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001103157808 937125203 /nfs/dbraw/zinc/12/52/03/937125203.db2.gz DKESYADSCNEFNK-HUUCEWRRSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129329206 927007261 /nfs/dbraw/zinc/00/72/61/927007261.db2.gz WMAWVQWAYXSAQL-AWEZNQCLSA-N 2 0 267.417 1.246 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103720308 937152468 /nfs/dbraw/zinc/15/24/68/937152468.db2.gz QQRQIIHOAHBZPU-BZUAXINKSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001086522972 927361334 /nfs/dbraw/zinc/36/13/34/927361334.db2.gz STPJPNVQEMYJEA-KOMQPUFPSA-N 2 0 291.439 1.224 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001110668090 928011991 /nfs/dbraw/zinc/01/19/91/928011991.db2.gz WLEDCWIODNFOJU-KFWWJZLASA-N 2 0 277.412 1.378 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994118 929990490 /nfs/dbraw/zinc/99/04/90/929990490.db2.gz OJEWRRABFDQMDD-ZIAGYGMSSA-N 2 0 298.390 1.844 20 30 CDEDRP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135372910 930174632 /nfs/dbraw/zinc/17/46/32/930174632.db2.gz UEVWCSCGAXEHAM-ZIAGYGMSSA-N 2 0 269.433 1.777 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135475738 930226408 /nfs/dbraw/zinc/22/64/08/930226408.db2.gz FVAPXOWTMJGHIH-UONOGXRCSA-N 2 0 281.444 1.470 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135607538 930289970 /nfs/dbraw/zinc/28/99/70/930289970.db2.gz AHZNOZLDBJFYOF-KBPBESRZSA-N 2 0 281.444 1.777 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860627 930479319 /nfs/dbraw/zinc/47/93/19/930479319.db2.gz FRIORMAUINZLBN-KGLIPLIRSA-N 2 0 267.417 1.224 20 30 CDEDRP N#Cc1cc2ccccc2nc1N[C@H]([NH3+])CCC[NH3+] ZINC001170898404 930693355 /nfs/dbraw/zinc/69/33/55/930693355.db2.gz MBCLWMKAWCSZIU-ZDUSSCGKSA-N 2 0 255.325 1.542 20 30 CDEDRP C=CCn1ccc2c1ncnc2N[C@@H]([NH3+])CCC[NH3+] ZINC001170898435 930695515 /nfs/dbraw/zinc/69/55/15/930695515.db2.gz NFYBCLSHWZBSAE-LLVKDONJSA-N 2 0 260.345 1.053 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153824124 937474507 /nfs/dbraw/zinc/47/45/07/937474507.db2.gz LVPZCTKGAIKAEF-UKRRQHHQSA-N 2 0 281.444 1.729 20 30 CDEDRP C=CCCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001274974364 931621798 /nfs/dbraw/zinc/62/17/98/931621798.db2.gz JBVYJQWSDJNVLH-HUUCEWRRSA-N 2 0 291.439 1.485 20 30 CDEDRP C[N@H+]1CC[C@H]2C[NH+](Cc3cncc(C#N)c3)C[C@H]2CC1 ZINC001275028651 931636891 /nfs/dbraw/zinc/63/68/91/931636891.db2.gz HOUOLYMCNDRORH-IYBDPMFKSA-N 2 0 270.380 1.727 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001091099943 931828096 /nfs/dbraw/zinc/82/80/96/931828096.db2.gz BXBOJWSPNHAPIL-RUXDESIVSA-N 2 0 265.401 1.141 20 30 CDEDRP C=C1C[C@@H]2CC([N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)C[C@H](C1)C2 ZINC001246574895 931904151 /nfs/dbraw/zinc/90/41/51/931904151.db2.gz BXZIJWJZQWADBX-KDLCZHGXSA-N 2 0 250.386 1.373 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001091267226 932068188 /nfs/dbraw/zinc/06/81/88/932068188.db2.gz FDBWZAUMBBHJMC-GPANFISMSA-N 2 0 291.439 1.367 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154888306 937599910 /nfs/dbraw/zinc/59/99/10/937599910.db2.gz OVVGAJAZSMKGMP-CYBMUJFWSA-N 2 0 293.411 1.967 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147825158 932613548 /nfs/dbraw/zinc/61/35/48/932613548.db2.gz PIVWLSIMYDBWPS-ZIAGYGMSSA-N 2 0 267.417 1.389 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001091780301 932883704 /nfs/dbraw/zinc/88/37/04/932883704.db2.gz FAYUOFGDMZDENH-INMHGKMJSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001092023142 932912666 /nfs/dbraw/zinc/91/26/66/932912666.db2.gz QQYFUIHXWHIFCS-YCPHGPKFSA-N 2 0 279.428 1.293 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155255056 937653935 /nfs/dbraw/zinc/65/39/35/937653935.db2.gz IMNUGRYOBQZPIR-HUUCEWRRSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001490836775 933969442 /nfs/dbraw/zinc/96/94/42/933969442.db2.gz ZIACSZAJBPYRRI-AWEZNQCLSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001121728945 937881691 /nfs/dbraw/zinc/88/16/91/937881691.db2.gz UOSPXPQXPOZPSQ-UKEPKTAJSA-N 2 0 291.439 1.223 20 30 CDEDRP C#CC[NH2+]CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001121960373 937894560 /nfs/dbraw/zinc/89/45/60/937894560.db2.gz QZDSAEPTJJDVDB-UHFFFAOYSA-N 2 0 291.439 1.324 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001122136442 937907773 /nfs/dbraw/zinc/90/77/73/937907773.db2.gz JVARKKDNWLPUDF-KBPBESRZSA-N 2 0 281.444 1.907 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001122136445 937908006 /nfs/dbraw/zinc/90/80/06/937908006.db2.gz JVARKKDNWLPUDF-ZIAGYGMSSA-N 2 0 281.444 1.907 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157081417 938451113 /nfs/dbraw/zinc/45/11/13/938451113.db2.gz ODXNONVMCWHPET-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157754747 938541382 /nfs/dbraw/zinc/54/13/82/938541382.db2.gz LCJABLXQELBJOT-HNNXBMFYSA-N 2 0 283.391 1.318 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1CC(C)([NH+](C)C)C1 ZINC001160644380 938806773 /nfs/dbraw/zinc/80/67/73/938806773.db2.gz DAEKLCNUVBKIDL-ZDUSSCGKSA-N 2 0 267.417 1.613 20 30 CDEDRP C=C(C)CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001160817276 938829278 /nfs/dbraw/zinc/82/92/78/938829278.db2.gz HUBPRKRAZSQXIN-UHFFFAOYSA-N 2 0 255.406 1.295 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001161229671 938881228 /nfs/dbraw/zinc/88/12/28/938881228.db2.gz PWIVMUGNVPTAKB-IHRRRGAJSA-N 2 0 267.417 1.659 20 30 CDEDRP CN(C)/C=[NH+]/c1ccc(N2CC[C@@H]([NH3+])C2)cc1C#N ZINC001164285969 939446690 /nfs/dbraw/zinc/44/66/90/939446690.db2.gz BWDQNFYCRUPNNL-YXHQGMJNSA-N 2 0 257.341 1.317 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203577492 939694233 /nfs/dbraw/zinc/69/42/33/939694233.db2.gz QKIWVSCYXVLMKP-KGLIPLIRSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203623527 939697190 /nfs/dbraw/zinc/69/71/90/939697190.db2.gz KKIWHSSCQFRCEV-CABCVRRESA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCOC(=O)N1CC2(C1)CC[NH+](CCCC[NH3+])CC2 ZINC001204896159 939803703 /nfs/dbraw/zinc/80/37/03/939803703.db2.gz IKUSJBBMEMNDSF-UHFFFAOYSA-N 2 0 281.400 1.446 20 30 CDEDRP C[C@H]1CN(Cc2sc(N)c(C#N)c2Cl)C[C@H]1C[NH3+] ZINC001205140287 939827308 /nfs/dbraw/zinc/82/73/08/939827308.db2.gz FTEOFWHHSPARBM-JGVFFNPUSA-N 2 0 284.816 1.882 20 30 CDEDRP C=CCOc1ccccc1C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205220021 939837549 /nfs/dbraw/zinc/83/75/49/939837549.db2.gz IMWPORMNRGBASS-KRWDZBQOSA-N 2 0 290.407 1.927 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001205490468 939893074 /nfs/dbraw/zinc/89/30/74/939893074.db2.gz ICUDVAZVRKJSQL-HNNXBMFYSA-N 2 0 281.444 1.587 20 30 CDEDRP C[C@@H]1CC[N@H+](Cc2ccc(C#N)nc2)CC[C@@H]1C[NH3+] ZINC001205626535 939910033 /nfs/dbraw/zinc/91/00/33/939910033.db2.gz GZZBPGTTZDWTSG-TZMCWYRMSA-N 2 0 258.369 1.760 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001206066648 939974001 /nfs/dbraw/zinc/97/40/01/939974001.db2.gz BRLWMQJXUJKQCQ-UHFFFAOYSA-N 2 0 291.439 1.180 20 30 CDEDRP C#CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206164240 939988555 /nfs/dbraw/zinc/98/85/55/939988555.db2.gz JVTKAQNNNFEFHY-HOTGVXAUSA-N 2 0 276.355 1.960 20 30 CDEDRP C#CCCC[NH+]1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001209267005 940454703 /nfs/dbraw/zinc/45/47/03/940454703.db2.gz HNHXEHDMCQALRH-HZPDHXFCSA-N 2 0 280.412 1.069 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210277593 940678414 /nfs/dbraw/zinc/67/84/14/940678414.db2.gz VMDZEGVYMHKNGH-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210493972 940694582 /nfs/dbraw/zinc/69/45/82/940694582.db2.gz QENJGEJBAUOSDN-AWEZNQCLSA-N 2 0 267.417 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210744823 940709678 /nfs/dbraw/zinc/70/96/78/940709678.db2.gz WEQKDPHOKFLDSJ-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000402177766 940889810 /nfs/dbraw/zinc/88/98/10/940889810.db2.gz WXOYYUGXQHSHEJ-DFBGVHRSSA-N 2 0 259.353 1.261 20 30 CDEDRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000402251068 940892271 /nfs/dbraw/zinc/89/22/71/940892271.db2.gz IVULWNYLKSKMCA-RCBQFDQVSA-N 2 0 273.380 1.651 20 30 CDEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1[nH]c(C)c(C)c1C#N ZINC001218556066 941236026 /nfs/dbraw/zinc/23/60/26/941236026.db2.gz OPUXHWVPYQASIO-LBPRGKRZSA-N 2 0 277.372 1.159 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)C1 ZINC001219538203 941353231 /nfs/dbraw/zinc/35/32/31/941353231.db2.gz WHXWJGNSCFHKMM-WHCBVINPSA-N 2 0 299.374 1.381 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)N[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001220162731 941419016 /nfs/dbraw/zinc/41/90/16/941419016.db2.gz LINPRWRECKSJGS-KBMXLJTQSA-N 2 0 277.412 1.333 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220857753 941477867 /nfs/dbraw/zinc/47/78/67/941477867.db2.gz QNJAKYDBQVCVPE-STQMWFEESA-N 2 0 269.433 1.940 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001225345655 941846812 /nfs/dbraw/zinc/84/68/12/941846812.db2.gz CCOFHVRVJUFPKX-KFWWJZLASA-N 2 0 277.412 1.121 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001229058183 942413020 /nfs/dbraw/zinc/41/30/20/942413020.db2.gz FEHIFBNMJHTWTE-OAHLLOKOSA-N 2 0 279.428 1.177 20 30 CDEDRP C[N@@H+](Cc1cncc(C#N)c1)CC1CC[NH+](C)CC1 ZINC000721556371 942650299 /nfs/dbraw/zinc/65/02/99/942650299.db2.gz CRRYGENKSVQZOR-UHFFFAOYSA-N 2 0 258.369 1.727 20 30 CDEDRP C=CCN1CC[C@@H]1CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001234642849 943924467 /nfs/dbraw/zinc/92/44/67/943924467.db2.gz LIMFQWJXHCHGIC-ZIAGYGMSSA-N 2 0 285.407 1.385 20 30 CDEDRP CC#CCN1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235589571 944212716 /nfs/dbraw/zinc/21/27/16/944212716.db2.gz TWZUVRKPVZFAQH-CABCVRRESA-N 2 0 279.428 1.129 20 30 CDEDRP C=CCCCNC(=S)NCCC[NH2+]CCCC[NH3+] ZINC001239394959 945440650 /nfs/dbraw/zinc/44/06/50/945440650.db2.gz KJABVCGRILNOSX-UHFFFAOYSA-N 2 0 272.462 1.135 20 30 CDEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001246218883 948035811 /nfs/dbraw/zinc/03/58/11/948035811.db2.gz VMHSJMPXEOKFOF-CQSZACIVSA-N 2 0 298.434 1.515 20 30 CDEDRP C=CCN1C(=O)CCC12CC[NH+]([C@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC001246707730 948413454 /nfs/dbraw/zinc/41/34/54/948413454.db2.gz CASPONAOGCFFPH-GJZGRUSLSA-N 2 0 291.439 1.770 20 30 CDEDRP C=CC[NH2+]Cc1nc2ccccc2n1[C@H]1CC[NH2+]C1 ZINC001247047822 948581066 /nfs/dbraw/zinc/58/10/66/948581066.db2.gz DCWHTSUGMLZMBF-LBPRGKRZSA-N 2 0 256.353 1.846 20 30 CDEDRP N#Cc1ccc(F)c(-c2noc([C@@H]3C[NH2+]CC34C[NH2+]C4)n2)c1 ZINC001247829838 948808505 /nfs/dbraw/zinc/80/85/05/948808505.db2.gz JYFJUONFVCVRKM-NSHDSACASA-N 2 0 299.309 1.024 20 30 CDEDRP C=C[C@](C)(O)CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001252548507 951433436 /nfs/dbraw/zinc/43/34/36/951433436.db2.gz SGVNAUJNKPYKDK-HNNXBMFYSA-N 2 0 276.384 1.182 20 30 CDEDRP N#CCOc1cccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC001327197069 954763509 /nfs/dbraw/zinc/76/35/09/954763509.db2.gz LVVAITDUBYGJJE-KBPBESRZSA-N 2 0 259.353 1.948 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2C)CC1 ZINC001339938629 962637031 /nfs/dbraw/zinc/63/70/31/962637031.db2.gz IZPNCWJYGTVJMB-HNNXBMFYSA-N 2 0 294.443 1.420 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC001343393794 963967287 /nfs/dbraw/zinc/96/72/87/963967287.db2.gz HFKZHVZWBANLRO-MRXNPFEDSA-N 2 0 289.423 1.918 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCC1 ZINC001447236818 966731506 /nfs/dbraw/zinc/73/15/06/966731506.db2.gz FSRKJXFXPDTGRZ-GFCCVEGCSA-N 2 0 299.846 1.709 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001100479018 968467840 /nfs/dbraw/zinc/46/78/40/968467840.db2.gz BHBQBIFTZHFILL-UHFFFAOYSA-N 2 0 289.423 1.123 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001100536142 968648889 /nfs/dbraw/zinc/64/88/89/968648889.db2.gz MBNUTNOHHSNRQL-UHFFFAOYSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC001521464249 970299248 /nfs/dbraw/zinc/29/92/48/970299248.db2.gz RIXFUCKLTBLTPZ-GJZGRUSLSA-N 2 0 279.428 1.757 20 30 CDEDRP C#CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132519511 1163338228 /nfs/dbraw/zinc/33/82/28/1163338228.db2.gz ZXWTZDMKZSXANK-LSDHHAIUSA-N 2 0 279.428 1.319 20 30 CDEDRP C=CC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001132738016 1163459256 /nfs/dbraw/zinc/45/92/56/1163459256.db2.gz TWKUGCMZVAMQFE-ZDUSSCGKSA-N 2 0 253.390 1.000 20 30 CDEDRP Cc1ccncc1CCC[NH2+]CCn1cnc(C#N)n1 ZINC000289860923 361852434 /nfs/dbraw/zinc/85/24/34/361852434.db2.gz VIOUWSRMOBIKOC-UHFFFAOYSA-N 2 0 270.340 1.076 20 30 CDEDRP N#Cc1ccsc1NC(=O)CCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107855549 349714606 /nfs/dbraw/zinc/71/46/06/349714606.db2.gz NALLUFZQXVEFNH-VXGBXAGGSA-N 2 0 290.392 1.100 20 30 CDEDRP CNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000076105966 342318584 /nfs/dbraw/zinc/31/85/84/342318584.db2.gz JBBLXLOHUQVBIS-HNNXBMFYSA-N 2 0 274.412 1.994 20 30 CDEDRP CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000080848635 342361537 /nfs/dbraw/zinc/36/15/37/342361537.db2.gz OOAQAOXSOPGNBK-CQSZACIVSA-N 2 0 260.385 1.575 20 30 CDEDRP C[C@H](CCC#N)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000602453025 344436152 /nfs/dbraw/zinc/43/61/52/344436152.db2.gz XYOTVBUGHGYWAR-CQSZACIVSA-N 2 0 294.443 1.316 20 30 CDEDRP N#C[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000447561955 362457835 /nfs/dbraw/zinc/45/78/35/362457835.db2.gz JZJIXAZETRVMJO-KFWWJZLASA-N 2 0 292.427 1.246 20 30 CDEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC2(CC#N)CC2)CC1 ZINC000602837301 344619727 /nfs/dbraw/zinc/61/97/27/344619727.db2.gz LWJDHHBFBDGYIC-UHFFFAOYSA-N 2 0 278.444 1.686 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@H](C)CC)CC1 ZINC000066124850 347478065 /nfs/dbraw/zinc/47/80/65/347478065.db2.gz LTYZKULULXWISW-CQSZACIVSA-N 2 0 279.428 1.178 20 30 CDEDRP C#C[C@H](CCC)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000491640659 347585121 /nfs/dbraw/zinc/58/51/21/347585121.db2.gz YRLNMIBSTCTQEI-CHWSQXEVSA-N 2 0 250.390 1.387 20 30 CDEDRP CNC(NCc1ccc(C[NH+]2CCCCC2)cc1)=[NH+]C ZINC000057887349 348850704 /nfs/dbraw/zinc/85/07/04/348850704.db2.gz ATAMSQVOBPTKHR-UHFFFAOYSA-N 2 0 274.412 1.967 20 30 CDEDRP COc1ccc(NC(=[NH2+])NCCC[NH+](C)C)cc1 ZINC000264063599 362955554 /nfs/dbraw/zinc/95/55/54/362955554.db2.gz DMTISILJNDSHFV-UHFFFAOYSA-N 2 0 250.346 1.374 20 30 CDEDRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])N[C@@H](C)COC)c1 ZINC000264082402 362961435 /nfs/dbraw/zinc/96/14/35/362961435.db2.gz HXNJOOPDTNCPHF-ZDUSSCGKSA-N 2 0 292.427 1.578 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NCC(C)(C)[NH+](C)C ZINC000264076799 362959651 /nfs/dbraw/zinc/95/96/51/362959651.db2.gz SUYIRVGENMMJAC-UHFFFAOYSA-N 2 0 252.362 1.285 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cccs1 ZINC000264152154 362980763 /nfs/dbraw/zinc/98/07/63/362980763.db2.gz ZOIWPJNHDNJKOM-GFCCVEGCSA-N 2 0 280.441 1.679 20 30 CDEDRP CN(C(=[NH2+])NCc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000181462206 357349955 /nfs/dbraw/zinc/34/99/55/357349955.db2.gz LUKJYZHUOAYVKW-UHFFFAOYSA-N 2 0 290.411 1.536 20 30 CDEDRP C#C[C@H](NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)C(C)C ZINC000262091371 359133947 /nfs/dbraw/zinc/13/39/47/359133947.db2.gz GKIJKYCJWTUPFC-OLZOCXBDSA-N 2 0 250.390 1.033 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H](C)[NH3+])C(C)C ZINC000165198906 363625890 /nfs/dbraw/zinc/62/58/90/363625890.db2.gz LXSCVHIPVSFITO-STQMWFEESA-N 2 0 253.390 1.148 20 30 CDEDRP C=CCN1CC[C@H](N2CC[C@@H](C[NH+](CC)CC)C2)C1=O ZINC000337171999 360007814 /nfs/dbraw/zinc/00/78/14/360007814.db2.gz GHQWXDXSXIMISY-GJZGRUSLSA-N 2 0 279.428 1.437 20 30 CDEDRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000429682966 360867684 /nfs/dbraw/zinc/86/76/84/360867684.db2.gz HVOPAQRTRMGKLX-HUUCEWRRSA-N 2 0 264.417 1.248 20 30 CDEDRP CN(C(=O)NCc1nccn1C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329408535 361501887 /nfs/dbraw/zinc/50/18/87/361501887.db2.gz CNYFLWYBIPXQON-FUNVUKJBSA-N 2 0 291.399 1.391 20 30 CDEDRP CN(CCC#N)C[C@@H](O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000570675400 363874814 /nfs/dbraw/zinc/87/48/14/363874814.db2.gz KFIOHXOCILEJGC-HNNXBMFYSA-N 2 0 296.459 1.045 20 30 CDEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])N1CCC(C)CC1 ZINC000304834514 367046104 /nfs/dbraw/zinc/04/61/04/367046104.db2.gz MNCLJUNMHIZJEL-AWEZNQCLSA-N 2 0 284.448 1.390 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@@H]2C(C)C)CC1 ZINC000529304946 368072376 /nfs/dbraw/zinc/07/23/76/368072376.db2.gz GSVADUIEHMOPRA-OAHLLOKOSA-N 2 0 294.443 1.276 20 30 CDEDRP C[C@H](C#N)CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000541946990 368708147 /nfs/dbraw/zinc/70/81/47/368708147.db2.gz QLALNDJCYHQIFM-CQSZACIVSA-N 2 0 297.447 1.061 20 30 CDEDRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCOC1 ZINC000328786298 375969156 /nfs/dbraw/zinc/96/91/56/375969156.db2.gz KTDNYQSSXPQRFN-STQMWFEESA-N 2 0 295.427 1.584 20 30 CDEDRP C=CCN1CC[C@@H]([NH+]2CCC(CC[NH2+]C)CC2)C1=O ZINC000420299382 376323141 /nfs/dbraw/zinc/32/31/41/376323141.db2.gz BAIHOXDKHAIOSX-CQSZACIVSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCCC[NH2+]C2CC2)CC1 ZINC000417536517 377899051 /nfs/dbraw/zinc/89/90/51/377899051.db2.gz XWWCNMUOHDHFDL-UHFFFAOYSA-N 2 0 280.416 1.078 20 30 CDEDRP C=C[C@H](CO)[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000289730951 378347263 /nfs/dbraw/zinc/34/72/63/378347263.db2.gz GFYWMSWBPPTBBX-NUEKZKHPSA-N 2 0 260.381 1.786 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000351329871 391066220 /nfs/dbraw/zinc/06/62/20/391066220.db2.gz OWTLZUZXYAAYKO-JKSUJKDBSA-N 2 0 266.429 1.977 20 30 CDEDRP C[NH+](C)CCNC(=O)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000339034480 391243991 /nfs/dbraw/zinc/24/39/91/391243991.db2.gz SVSJPMDWTKRZHB-UKRRQHHQSA-N 2 0 292.427 1.068 20 30 CDEDRP C=CC[C@@]1(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000662887521 413658043 /nfs/dbraw/zinc/65/80/43/413658043.db2.gz ZFEBIAGOERFUGH-RDJZCZTQSA-N 2 0 293.455 1.921 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1OC ZINC000069705426 260262665 /nfs/dbraw/zinc/26/26/65/260262665.db2.gz JVJQSHROCSLHRS-AWEZNQCLSA-N 2 0 290.411 1.584 20 30 CDEDRP CC(C)[C@@H](CNC(=[NH2+])Nc1ccccn1)[NH+]1CCCC1 ZINC000170910361 261449603 /nfs/dbraw/zinc/44/96/03/261449603.db2.gz WFBBVKLDIZSHPE-CYBMUJFWSA-N 2 0 275.400 1.929 20 30 CDEDRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=[NH2+])NC1CC1)C1CC1 ZINC000186890315 262115201 /nfs/dbraw/zinc/11/52/01/262115201.db2.gz OGWOWHBKUBAYRS-INIZCTEOSA-N 2 0 286.423 1.964 20 30 CDEDRP CN(C)C(=[NH2+])NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000283851683 263084656 /nfs/dbraw/zinc/08/46/56/263084656.db2.gz FVTUZFRWXIVCBA-UHFFFAOYSA-N 2 0 290.411 1.536 20 30 CDEDRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(C#N)cc2)CC1(C)C ZINC000282517494 277106082 /nfs/dbraw/zinc/10/60/82/277106082.db2.gz XXSPVGGELAFUPV-UHFFFAOYSA-N 2 0 286.423 1.674 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000414995011 328290456 /nfs/dbraw/zinc/29/04/56/328290456.db2.gz VNTOKMCEVULBIV-BJJXKVORSA-N 2 0 279.428 1.578 20 30 CDEDRP C#Cc1ccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000377539062 329018177 /nfs/dbraw/zinc/01/81/77/329018177.db2.gz BQQGCPDRKNHITC-SFHVURJKSA-N 2 0 297.446 1.926 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCSC1 ZINC000262328326 330006307 /nfs/dbraw/zinc/00/63/07/330006307.db2.gz URDHTDNLSQCNDJ-QWHCGFSZSA-N 2 0 284.473 1.518 20 30 CDEDRP [NH2+]=C(NCC1CCC1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000262769733 330030317 /nfs/dbraw/zinc/03/03/17/330030317.db2.gz LHQSRQSZWCOQOZ-CQSZACIVSA-N 2 0 264.417 1.708 20 30 CDEDRP C=CC[NH+]1CCC(N[C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422854688 330157867 /nfs/dbraw/zinc/15/78/67/330157867.db2.gz BFMKSRXAQXOSKO-HIFRSBDPSA-N 2 0 251.418 1.757 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1CC ZINC001087773518 1160262948 /nfs/dbraw/zinc/26/29/48/1160262948.db2.gz RNLZSNDHWFAHTF-JKSUJKDBSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000669465268 483172903 /nfs/dbraw/zinc/17/29/03/483172903.db2.gz OEUQCXGGVLGVMQ-ZFWWWQNUSA-N 2 0 292.427 1.030 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001113348195 1162159043 /nfs/dbraw/zinc/15/90/43/1162159043.db2.gz BWOCKXYWIIFBJB-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCCC#N)C1 ZINC000350366291 528148592 /nfs/dbraw/zinc/14/85/92/528148592.db2.gz MATHRHKTAVJOAL-AWEZNQCLSA-N 2 0 253.390 1.723 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000764457749 575909893 /nfs/dbraw/zinc/90/98/93/575909893.db2.gz QTAHJJPAVJIOQH-UHFFFAOYSA-N 2 0 293.411 1.596 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000970803046 612962916 /nfs/dbraw/zinc/96/29/16/612962916.db2.gz GABONNOAFUJSNQ-CVEARBPZSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000980477604 613089555 /nfs/dbraw/zinc/08/95/55/613089555.db2.gz HWUSXWDFZVPKRB-HNNXBMFYSA-N 2 0 277.412 1.028 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC)CC[C@H]2C)CC1 ZINC000968682831 613131932 /nfs/dbraw/zinc/13/19/32/613131932.db2.gz VLDLMJKBBQWWGJ-ZBFHGGJFSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000971201499 613285438 /nfs/dbraw/zinc/28/54/38/613285438.db2.gz OKYDBNJBWOFABT-ZIAGYGMSSA-N 2 0 265.401 1.189 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971801019 613290433 /nfs/dbraw/zinc/29/04/33/613290433.db2.gz NOAWCWGVPITJLB-LSDHHAIUSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000981954389 613308425 /nfs/dbraw/zinc/30/84/25/613308425.db2.gz BCJAYRXUSDQDNT-OAHLLOKOSA-N 2 0 279.428 1.439 20 30 CDEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000969653873 613483179 /nfs/dbraw/zinc/48/31/79/613483179.db2.gz NJFLNRGGXNPQAR-GDBMZVCRSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000969676971 613485624 /nfs/dbraw/zinc/48/56/24/613485624.db2.gz KNSYDKFRUQEWHC-XJKSGUPXSA-N 2 0 291.439 1.341 20 30 CDEDRP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000969144266 613491065 /nfs/dbraw/zinc/49/10/65/613491065.db2.gz ICOAMGFTXLSAEW-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000949807337 613506162 /nfs/dbraw/zinc/50/61/62/613506162.db2.gz RAEXOTAWHQUAEE-MRXNPFEDSA-N 2 0 293.455 1.829 20 30 CDEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000969791473 613536079 /nfs/dbraw/zinc/53/60/79/613536079.db2.gz DLIOGAXVJZQSGY-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000972071177 613626530 /nfs/dbraw/zinc/62/65/30/613626530.db2.gz UUPVAUWVRPIBHL-AWEZNQCLSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000969690697 613663346 /nfs/dbraw/zinc/66/33/46/613663346.db2.gz QMDODWKCUYGDMB-VHDGCEQUSA-N 2 0 279.428 1.339 20 30 CDEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000969976092 613669224 /nfs/dbraw/zinc/66/92/24/613669224.db2.gz PUHJUWMEKOZVBY-GXTWGEPZSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947779230 613742734 /nfs/dbraw/zinc/74/27/34/613742734.db2.gz OEJSIYWNOWXZCA-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC000942288137 613793453 /nfs/dbraw/zinc/79/34/53/613793453.db2.gz ORPGQDRFDMLSMN-CJNGLKHVSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000968915722 613863743 /nfs/dbraw/zinc/86/37/43/613863743.db2.gz ONOUQRCAICGCDO-HUUCEWRRSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000970802698 613864314 /nfs/dbraw/zinc/86/43/14/613864314.db2.gz AKFOMSRQEQBBNA-HUUCEWRRSA-N 2 0 279.428 1.483 20 30 CDEDRP CC(C)NC(=[NH2+])NCC1([NH+]2CCSCC2)CCCC1 ZINC000104173504 618036937 /nfs/dbraw/zinc/03/69/37/618036937.db2.gz GRLGSUDWHVFQAB-UHFFFAOYSA-N 2 0 284.473 1.661 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000911811651 629543689 /nfs/dbraw/zinc/54/36/89/629543689.db2.gz UVEKSLVOYRNHBV-OAHLLOKOSA-N 2 0 273.380 1.954 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911880105 629606522 /nfs/dbraw/zinc/60/65/22/629606522.db2.gz RDIKGXJINNUIEL-HUUCEWRRSA-N 2 0 298.475 1.166 20 30 CDEDRP CC[C@H](C(=O)NCC[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001130197165 1162568733 /nfs/dbraw/zinc/56/87/33/1162568733.db2.gz DSLQWSLXTLCCJB-OAHLLOKOSA-N 2 0 288.395 1.104 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC001754602878 1159346026 /nfs/dbraw/zinc/34/60/26/1159346026.db2.gz CLKQYVPDJBZPBF-LSDHHAIUSA-N 2 0 281.444 1.872 20 30 CDEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)CCC[C@H]1C[NH3+] ZINC001206011195 1162006197 /nfs/dbraw/zinc/00/61/97/1162006197.db2.gz ANBSDKWVEASOOP-OCCSQVGLSA-N 2 0 258.369 1.760 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001133083089 1163562653 /nfs/dbraw/zinc/56/26/53/1163562653.db2.gz IGJZCMNHKRSSKI-GDBMZVCRSA-N 2 0 291.439 1.036 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773108 1164104388 /nfs/dbraw/zinc/10/43/88/1164104388.db2.gz LDLYVFZHXWGFHO-ZIAGYGMSSA-N 2 0 281.444 1.613 20 30 CDEDRP C#CCC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001574545264 1170991888 /nfs/dbraw/zinc/99/18/88/1170991888.db2.gz PCRKPWKGWLUXGB-KBXIAJHMSA-N 2 0 250.386 1.271 20 30 CDEDRP C[C@@H]1C[C@@H](C)N(Cc2cccc(C#N)n2)C[C@@H]1C[NH3+] ZINC001576600240 1171465324 /nfs/dbraw/zinc/46/53/24/1171465324.db2.gz ZRBWHLIICWBZHH-UPJWGTAASA-N 2 0 258.369 1.758 20 30 CDEDRP CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC001578424778 1171906305 /nfs/dbraw/zinc/90/63/05/1171906305.db2.gz VJUGQIMKPHMUJY-HNNXBMFYSA-N 2 0 272.396 1.856 20 30 CDEDRP N#CC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCOCC1 ZINC001580038935 1172330262 /nfs/dbraw/zinc/33/02/62/1172330262.db2.gz WQEKJBWNCGYTSV-BFHYXJOUSA-N 2 0 263.385 1.284 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001690469892 1175478269 /nfs/dbraw/zinc/47/82/69/1175478269.db2.gz GUGXESQRTZALMV-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001752939027 1184971473 /nfs/dbraw/zinc/97/14/73/1184971473.db2.gz OHHLSNIQCWQILX-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)CCC[NH+](C)C ZINC001753223780 1185122506 /nfs/dbraw/zinc/12/25/06/1185122506.db2.gz NORMAUXOZVZWOB-UHFFFAOYSA-N 2 0 261.797 1.129 20 30 CDEDRP C=CCCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001753403021 1185188789 /nfs/dbraw/zinc/18/87/89/1185188789.db2.gz KAYCBCJXENOMEX-MRXNPFEDSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001753447570 1185212781 /nfs/dbraw/zinc/21/27/81/1185212781.db2.gz BYJLWMIPDQBVQH-AWEZNQCLSA-N 2 0 267.417 1.437 20 30 CDEDRP C#CCC[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCCC1 ZINC001753664974 1185292860 /nfs/dbraw/zinc/29/28/60/1185292860.db2.gz KIYVYKGEZLIABB-UHFFFAOYSA-N 2 0 291.439 1.513 20 30 CDEDRP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001753694824 1185304199 /nfs/dbraw/zinc/30/41/99/1185304199.db2.gz HGAPWVXGCSAXBM-ZBFHGGJFSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CCC ZINC001753811780 1185342823 /nfs/dbraw/zinc/34/28/23/1185342823.db2.gz AOTJNPSBKWZUPY-HZPDHXFCSA-N 2 0 293.455 1.568 20 30 CDEDRP C=C(C)C[NH2+]CCN(CC)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001754084607 1185453930 /nfs/dbraw/zinc/45/39/30/1185453930.db2.gz KGJWXKRGCZBIDK-GASCZTMLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(Cl)C[NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1 ZINC001754130060 1185477772 /nfs/dbraw/zinc/47/77/72/1185477772.db2.gz VWTLIFDWDBVXFA-PLNGDYQASA-N 2 0 285.819 1.485 20 30 CDEDRP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001754180540 1185496509 /nfs/dbraw/zinc/49/65/09/1185496509.db2.gz DYFFRUYOGNOYLT-SWJNODNISA-N 2 0 289.423 1.289 20 30 CDEDRP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001754255571 1185532028 /nfs/dbraw/zinc/53/20/28/1185532028.db2.gz RQFRVWMWJUWPJI-HZPDHXFCSA-N 2 0 293.455 1.615 20 30 CDEDRP C#CCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001754313768 1185571890 /nfs/dbraw/zinc/57/18/90/1185571890.db2.gz DFRDZDLGEOAOKE-ZDUSSCGKSA-N 2 0 298.390 1.716 20 30 CDEDRP C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001755269676 1185883063 /nfs/dbraw/zinc/88/30/63/1185883063.db2.gz KRKGEGBBBSSFIS-LSDHHAIUSA-N 2 0 281.444 1.921 20 30 CDEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001755618913 1186013831 /nfs/dbraw/zinc/01/38/31/1186013831.db2.gz PZKYFCFDTHXRIE-CABCVRRESA-N 2 0 279.428 1.321 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001018938360 736423497 /nfs/dbraw/zinc/42/34/97/736423497.db2.gz KRUQIMKVKXHWMT-UONOGXRCSA-N 2 0 299.846 1.804 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015502797 736429834 /nfs/dbraw/zinc/42/98/34/736429834.db2.gz HJIQZEGNGGMPCJ-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000996692778 736454957 /nfs/dbraw/zinc/45/49/57/736454957.db2.gz XWSPXGHXHHDHRQ-HNNXBMFYSA-N 2 0 277.412 1.075 20 30 CDEDRP N#Cc1ccc([C@@H](O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000923357468 736534932 /nfs/dbraw/zinc/53/49/32/736534932.db2.gz OAWROQUUIQZSES-ROUUACIJSA-N 2 0 299.418 1.913 20 30 CDEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000999690464 736571741 /nfs/dbraw/zinc/57/17/41/736571741.db2.gz YTQRGUMCCNGHAN-NFOMZHRRSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009228428 736581887 /nfs/dbraw/zinc/58/18/87/736581887.db2.gz XOMDWZYNWIUHLM-CQSZACIVSA-N 2 0 277.412 1.239 20 30 CDEDRP CC(C)[NH+](CCCNC(=[NH2+])N(C)C1CC1)C(C)C ZINC000305803466 736630488 /nfs/dbraw/zinc/63/04/88/736630488.db2.gz FKLFSUBLAPRLGH-UHFFFAOYSA-N 2 0 254.422 1.904 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC ZINC001037859138 736649248 /nfs/dbraw/zinc/64/92/48/736649248.db2.gz IBTDKZCVEJOOIZ-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071794314 736785272 /nfs/dbraw/zinc/78/52/72/736785272.db2.gz AJPLLXBKPTZCLW-GDBMZVCRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001049215060 736735872 /nfs/dbraw/zinc/73/58/72/736735872.db2.gz HTHSGDUWYCIPRN-GASCZTMLSA-N 2 0 277.412 1.049 20 30 CDEDRP C[NH2+]Cc1cccc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1 ZINC000884014992 736840753 /nfs/dbraw/zinc/84/07/53/736840753.db2.gz DOZQZSZXJUJLAJ-XOYHFGRZSA-N 2 0 298.390 1.484 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1ccc(-n2cncn2)c(C)c1 ZINC000820847124 736909613 /nfs/dbraw/zinc/90/96/13/736909613.db2.gz RVSFQKCDUWAEAT-UHFFFAOYSA-N 2 0 297.406 1.620 20 30 CDEDRP C=CC[N@H+]1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]21 ZINC001036734980 736911635 /nfs/dbraw/zinc/91/16/35/736911635.db2.gz BKYJEVHHBBTTQB-GJZGRUSLSA-N 2 0 291.439 1.580 20 30 CDEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073426093 736912118 /nfs/dbraw/zinc/91/21/18/736912118.db2.gz PYJLSNUEGCMMCH-HNNXBMFYSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CC(C)(C)CNC(=[NH2+])NCCCN1CCOCC1 ZINC000849036846 736969004 /nfs/dbraw/zinc/96/90/04/736969004.db2.gz AKMYSILBXMHJJH-UHFFFAOYSA-N 2 0 268.405 1.035 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995549167 737049712 /nfs/dbraw/zinc/04/97/12/737049712.db2.gz ACOVYLJSSBQMFC-KGLIPLIRSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989483192 737058146 /nfs/dbraw/zinc/05/81/46/737058146.db2.gz OZWSLVVHDVDXHZ-HNNXBMFYSA-N 2 0 279.428 1.439 20 30 CDEDRP C[C@H]1CNC(NN=C[C@](C)(C[NH+](C)C)c2ccccc2)=[NH+]1 ZINC000834971028 737122914 /nfs/dbraw/zinc/12/29/14/737122914.db2.gz TUIFXAFSOOUOII-XJKSGUPXSA-N 2 0 287.411 1.429 20 30 CDEDRP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001027985888 737179630 /nfs/dbraw/zinc/17/96/30/737179630.db2.gz QGPNQLYOHGHNHS-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC001041759662 737254362 /nfs/dbraw/zinc/25/43/62/737254362.db2.gz VBIHJQDNBGVQQL-MRXNPFEDSA-N 2 0 288.395 1.453 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031668469 737437033 /nfs/dbraw/zinc/43/70/33/737437033.db2.gz GZZBNRCAHOASNU-CABCVRRESA-N 2 0 277.412 1.095 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)Cn2ccnc2C)C[C@@H]1CC ZINC001037972812 737577245 /nfs/dbraw/zinc/57/72/45/737577245.db2.gz GPEKJYQVOOEKTO-GJZGRUSLSA-N 2 0 288.395 1.041 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028549092 737731773 /nfs/dbraw/zinc/73/17/73/737731773.db2.gz LUTQJOYCZKUTMX-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001028206417 737749589 /nfs/dbraw/zinc/74/95/89/737749589.db2.gz UCBSUWNHGXVOIC-QGZVFWFLSA-N 2 0 299.418 1.576 20 30 CDEDRP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001042358165 737790559 /nfs/dbraw/zinc/79/05/59/737790559.db2.gz NZRDNDMBIMWRDO-JKSUJKDBSA-N 2 0 289.423 1.028 20 30 CDEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC2=[NH+]CCN2C)C1 ZINC000848990018 737840556 /nfs/dbraw/zinc/84/05/56/737840556.db2.gz RZOGSJSBKWUNRU-ZIAGYGMSSA-N 2 0 266.433 1.636 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001000690576 737850505 /nfs/dbraw/zinc/85/05/05/737850505.db2.gz WJKKRLYNLUVNDQ-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCSCC1 ZINC000304759182 737852923 /nfs/dbraw/zinc/85/29/23/737852923.db2.gz QWRKMYRKPDOMTM-LBPRGKRZSA-N 2 0 270.446 1.224 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001027440765 737979975 /nfs/dbraw/zinc/97/99/75/737979975.db2.gz KJVSQQXMIVORIO-HNNXBMFYSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001028814240 737999542 /nfs/dbraw/zinc/99/95/42/737999542.db2.gz XZXBXISGJGLMGR-MGPQQGTHSA-N 2 0 288.395 1.148 20 30 CDEDRP C[NH+]=C(NCC1CC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000086591588 738016774 /nfs/dbraw/zinc/01/67/74/738016774.db2.gz PKTXHNSAPUYRAW-UHFFFAOYSA-N 2 0 294.443 1.206 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041828439 738054670 /nfs/dbraw/zinc/05/46/70/738054670.db2.gz BHFVHPCNIRVCTN-NVXWUHKLSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CCC[NH+]1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001006291712 738226916 /nfs/dbraw/zinc/22/69/16/738226916.db2.gz IHCOJOJAULOJRH-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001033778283 738527078 /nfs/dbraw/zinc/52/70/78/738527078.db2.gz ZRGGNZCNKFLVGO-KBPBESRZSA-N 2 0 265.401 1.189 20 30 CDEDRP CC[N@@H+]1CC[C@H](CNC(NC[C@@H]2CCCS2)=[NH+]C)C1 ZINC000261977892 738344039 /nfs/dbraw/zinc/34/40/39/738344039.db2.gz ODGQYDRKMJLLJV-OLZOCXBDSA-N 2 0 284.473 1.389 20 30 CDEDRP C[NH+](C)CC(C)(C)CNC(=[NH2+])N1CCCCCC1 ZINC000305029301 738560894 /nfs/dbraw/zinc/56/08/94/738560894.db2.gz AFOWEYVGKVJNPP-UHFFFAOYSA-N 2 0 254.422 1.765 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCC(C)(C)[NH+]1CCCCC1 ZINC000104155091 738598520 /nfs/dbraw/zinc/59/85/20/738598520.db2.gz XDFCTCNBVWESEN-UHFFFAOYSA-N 2 0 252.406 1.731 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC[C@@H](C)C[NH+](C)C ZINC000849030690 738802292 /nfs/dbraw/zinc/80/22/92/738802292.db2.gz SEFROUQOKQRCRL-LLVKDONJSA-N 2 0 252.362 1.142 20 30 CDEDRP C#CCN1CCC[C@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000886661097 738835406 /nfs/dbraw/zinc/83/54/06/738835406.db2.gz MGMRHURVSLRPMO-ZBFHGGJFSA-N 2 0 263.429 1.404 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NC[C@]1(C)CCCO1 ZINC000261730899 738864629 /nfs/dbraw/zinc/86/46/29/738864629.db2.gz JMKIDKQTMSGPQI-ZFWWWQNUSA-N 2 0 282.432 1.062 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000989682895 738929308 /nfs/dbraw/zinc/92/93/08/738929308.db2.gz KQYCYGAVSRIPHG-KBPBESRZSA-N 2 0 277.412 1.237 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000996903926 736382131 /nfs/dbraw/zinc/38/21/31/736382131.db2.gz LDYZRGSUGROTMB-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001074809262 736475467 /nfs/dbraw/zinc/47/54/67/736475467.db2.gz BIJQAEAFWWIKEP-KKUMJFAQSA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000999198197 736516775 /nfs/dbraw/zinc/51/67/75/736516775.db2.gz AUFIQOUVLPTRBA-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC000992437895 736525886 /nfs/dbraw/zinc/52/58/86/736525886.db2.gz XZCWMGNCTIEZPG-WMLDXEAASA-N 2 0 289.423 1.381 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001003159684 736531883 /nfs/dbraw/zinc/53/18/83/736531883.db2.gz MSVOZRCQELIITR-OAHLLOKOSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+]C1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001026552836 736865288 /nfs/dbraw/zinc/86/52/88/736865288.db2.gz DLBDMAUJNONGBV-UHFFFAOYSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041377691 738948005 /nfs/dbraw/zinc/94/80/05/738948005.db2.gz DLNINEVTCCWTHT-RDJZCZTQSA-N 2 0 293.455 1.683 20 30 CDEDRP CCCCCCNC(=[NH2+])NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000303909313 737004400 /nfs/dbraw/zinc/00/44/00/737004400.db2.gz YCCUTLUSEUKYAN-OAHLLOKOSA-N 2 0 297.491 1.497 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015289041 737007817 /nfs/dbraw/zinc/00/78/17/737007817.db2.gz IDHOLYIAPXQHLT-AWEZNQCLSA-N 2 0 284.363 1.715 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]C(C)C)CC1 ZINC001045321383 737091202 /nfs/dbraw/zinc/09/12/02/737091202.db2.gz NQYHVYZGEGCDSJ-INIZCTEOSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001032629408 737201003 /nfs/dbraw/zinc/20/10/03/737201003.db2.gz UVAQQIZQWOESQV-GJZGRUSLSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050201195 737263574 /nfs/dbraw/zinc/26/35/74/737263574.db2.gz DEPTYWLWAPMWEH-HRCADAONSA-N 2 0 291.439 1.437 20 30 CDEDRP CNC(NCC1([NH+]2CCSCC2)CCCC1)=[NH+]C ZINC000303262698 737280390 /nfs/dbraw/zinc/28/03/90/737280390.db2.gz QAERFZVCCMKHPR-UHFFFAOYSA-N 2 0 270.446 1.143 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001022712001 737281886 /nfs/dbraw/zinc/28/18/86/737281886.db2.gz ICBAPHVZAXBEBU-MELADBBJSA-N 2 0 265.401 1.284 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001049722132 737821359 /nfs/dbraw/zinc/82/13/59/737821359.db2.gz IGNMREPYESNEOZ-ARFHVFGLSA-N 2 0 291.439 1.722 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001049995878 738053556 /nfs/dbraw/zinc/05/35/56/738053556.db2.gz SHRLLPRNIAHOOA-ARFHVFGLSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000354286331 738218951 /nfs/dbraw/zinc/21/89/51/738218951.db2.gz YALOEOSSNUUQIX-KBPBESRZSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001005998157 738284388 /nfs/dbraw/zinc/28/43/88/738284388.db2.gz RIGASFVSSQNTPD-GDBMZVCRSA-N 2 0 293.455 1.683 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555915 739089566 /nfs/dbraw/zinc/08/95/66/739089566.db2.gz UHAXRLWWBZSMMS-INIZCTEOSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CCN(C)CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000327988801 739176220 /nfs/dbraw/zinc/17/62/20/739176220.db2.gz KVDMFCRCHUIXAX-UHFFFAOYSA-N 2 0 286.423 1.595 20 30 CDEDRP CCNC(NCC(C)(C)[NH+]1CCC(OC)CC1)=[NH+]CC ZINC000849006421 739210411 /nfs/dbraw/zinc/21/04/11/739210411.db2.gz HQBUTSXRPQFGOI-UHFFFAOYSA-N 2 0 284.448 1.451 20 30 CDEDRP C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000037894340 1165807167 /nfs/dbraw/zinc/80/71/67/1165807167.db2.gz MYZATIQOBWXTMO-HIFRSBDPSA-N 2 0 259.353 1.133 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC001574908384 1167642674 /nfs/dbraw/zinc/64/26/74/1167642674.db2.gz LWLJCZQPNJTPDN-KGLIPLIRSA-N 2 0 267.417 1.518 20 30 CDEDRP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001566738970 1168406471 /nfs/dbraw/zinc/40/64/71/1168406471.db2.gz RDOVJMMRHYWMIG-HOTGVXAUSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001175054625 913444518 /nfs/dbraw/zinc/44/45/18/913444518.db2.gz ARYMWPKNEDODAA-CYBMUJFWSA-N 2 0 255.406 1.389 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175265489 913518210 /nfs/dbraw/zinc/51/82/10/913518210.db2.gz YKTZGHITWYDNGA-JKSUJKDBSA-N 2 0 293.455 1.616 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001167237183 894931724 /nfs/dbraw/zinc/93/17/24/894931724.db2.gz WPWCRMKPIQXHJF-HUUCEWRRSA-N 2 0 293.455 1.636 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176058412 913942673 /nfs/dbraw/zinc/94/26/73/913942673.db2.gz WXCSXGXFCDNJFJ-CYBMUJFWSA-N 2 0 253.390 1.000 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001167389590 895536998 /nfs/dbraw/zinc/53/69/98/895536998.db2.gz RZZULHZTYIILNP-UHFFFAOYSA-N 2 0 293.455 1.780 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176185605 913983122 /nfs/dbraw/zinc/98/31/22/913983122.db2.gz ZPQVXVMBKAUSKB-OAHLLOKOSA-N 2 0 291.439 1.370 20 30 CDEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176279319 914014993 /nfs/dbraw/zinc/01/49/93/914014993.db2.gz LVECAIJQLLGPEH-AWEZNQCLSA-N 2 0 269.433 1.779 20 30 CDEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001176367896 914086177 /nfs/dbraw/zinc/08/61/77/914086177.db2.gz ONLAWDOQLGENOT-RDJZCZTQSA-N 2 0 293.455 1.923 20 30 CDEDRP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001024802850 898256779 /nfs/dbraw/zinc/25/67/79/898256779.db2.gz BFGMEESHPJUHDU-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001176856322 914350631 /nfs/dbraw/zinc/35/06/31/914350631.db2.gz KCSRYXWTTZISDD-GASCZTMLSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001167732858 899528381 /nfs/dbraw/zinc/52/83/81/899528381.db2.gz PFJFXJSPKOKQES-OAHLLOKOSA-N 2 0 293.455 1.780 20 30 CDEDRP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001026605484 900013223 /nfs/dbraw/zinc/01/32/23/900013223.db2.gz QOICTERGVCDVNH-WLYUNCDWSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994257865 914473596 /nfs/dbraw/zinc/47/35/96/914473596.db2.gz USHRUQXRVCEKHJ-HUUCEWRRSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CCN1CC[NH+]([C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001167833691 901200090 /nfs/dbraw/zinc/20/00/90/901200090.db2.gz DJLXHWNQNJXSEA-INIZCTEOSA-N 2 0 265.445 1.748 20 30 CDEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001028332450 902242070 /nfs/dbraw/zinc/24/20/70/902242070.db2.gz VBSLAPAYDWJCGH-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001075886345 907648248 /nfs/dbraw/zinc/64/82/48/907648248.db2.gz NRMXTZXSMLKAAT-GOEBONIOSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CCOC(=O)N1CCC2(CCCN(CC[NH3+])C2)CC1 ZINC001204842709 907727032 /nfs/dbraw/zinc/72/70/32/907727032.db2.gz CAXBJFSNJVKJIE-UHFFFAOYSA-N 2 0 281.400 1.446 20 30 CDEDRP CC#CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H]1C ZINC001088605127 908216049 /nfs/dbraw/zinc/21/60/49/908216049.db2.gz HXWRFNBZWYUWCK-PMPSAXMXSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001101036553 909330813 /nfs/dbraw/zinc/33/08/13/909330813.db2.gz TWABETSMENIQDW-GPANFISMSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203337950 911104139 /nfs/dbraw/zinc/10/41/39/911104139.db2.gz YQQVQTKULAXRSH-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001178819128 915662566 /nfs/dbraw/zinc/66/25/66/915662566.db2.gz KODRLYOPDOMNAV-OAHLLOKOSA-N 2 0 281.444 1.616 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC001179546382 915881608 /nfs/dbraw/zinc/88/16/08/915881608.db2.gz NTDBKSQXJNFOKH-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001179580655 915907947 /nfs/dbraw/zinc/90/79/47/915907947.db2.gz LLGSNGRFICMNMH-HNNXBMFYSA-N 2 0 279.428 1.370 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)CC12CCC[NH+]1CCC2 ZINC001181110769 916845327 /nfs/dbraw/zinc/84/53/27/916845327.db2.gz NPNDRGDHRCCJIW-HNNXBMFYSA-N 2 0 291.439 1.772 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127701722 917356308 /nfs/dbraw/zinc/35/63/08/917356308.db2.gz XDDHFRSWQBJKHF-SOUVJXGZSA-N 2 0 281.444 1.777 20 30 CDEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107451561 918388184 /nfs/dbraw/zinc/38/81/84/918388184.db2.gz WYWOIGLFGGFATA-BFYDXBDKSA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001183411192 918467690 /nfs/dbraw/zinc/46/76/90/918467690.db2.gz YQBOHANGUDMVTJ-NVXWUHKLSA-N 2 0 291.439 1.180 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000996903922 918667659 /nfs/dbraw/zinc/66/76/59/918667659.db2.gz LDYZRGSUGROTMB-HNNXBMFYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001000194510 936526759 /nfs/dbraw/zinc/52/67/59/936526759.db2.gz VUWCTIAIYGCPDF-OCCSQVGLSA-N 2 0 299.846 1.661 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001183978604 918809240 /nfs/dbraw/zinc/80/92/40/918809240.db2.gz UNZVQJKQGJDLTJ-CQSZACIVSA-N 2 0 282.347 1.162 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001185157761 919470271 /nfs/dbraw/zinc/47/02/71/919470271.db2.gz JXEPLZNTSCMRCN-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001185610487 919676506 /nfs/dbraw/zinc/67/65/06/919676506.db2.gz XXHYPIIIUZAXJE-HUUCEWRRSA-N 2 0 279.428 1.321 20 30 CDEDRP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001190084070 921836270 /nfs/dbraw/zinc/83/62/70/921836270.db2.gz JWPULPJAPVDBRK-HOTGVXAUSA-N 2 0 291.439 1.415 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190442862 921998370 /nfs/dbraw/zinc/99/83/70/921998370.db2.gz BWUMEUUFNZKZLJ-GJZGRUSLSA-N 2 0 299.434 1.775 20 30 CDEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190666243 922108459 /nfs/dbraw/zinc/10/84/59/922108459.db2.gz KWQZUEKLHVWBRU-HZPDHXFCSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001098395314 936750914 /nfs/dbraw/zinc/75/09/14/936750914.db2.gz YYELOHKCYVZLAF-TUVASFSCSA-N 2 0 277.412 1.236 20 30 CDEDRP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001099203097 936782918 /nfs/dbraw/zinc/78/29/18/936782918.db2.gz JGOIHXSQOUIEAB-AWEZNQCLSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099335565 936785434 /nfs/dbraw/zinc/78/54/34/936785434.db2.gz YWGHOYPBTLYAFK-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045924 922892392 /nfs/dbraw/zinc/89/23/92/922892392.db2.gz ISWHSSHRHIJEER-HNNXBMFYSA-N 2 0 297.443 1.064 20 30 CDEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2ccnc2)C1 ZINC001192579348 923153661 /nfs/dbraw/zinc/15/36/61/923153661.db2.gz ZGPLWSCFTCHPQG-HUUCEWRRSA-N 2 0 288.395 1.390 20 30 CDEDRP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000923369745 923783574 /nfs/dbraw/zinc/78/35/74/923783574.db2.gz MECLGOMCTBQOMI-LSDHHAIUSA-N 2 0 273.380 1.569 20 30 CDEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194011299 924015861 /nfs/dbraw/zinc/01/58/61/924015861.db2.gz RGWULAQZHKQBJX-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001080037519 924477347 /nfs/dbraw/zinc/47/73/47/924477347.db2.gz MOIRLCJBBTYYOU-HUUCEWRRSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001080382388 924546390 /nfs/dbraw/zinc/54/63/90/924546390.db2.gz JSNFPBYDHGGMCB-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101478327 936974289 /nfs/dbraw/zinc/97/42/89/936974289.db2.gz JFXYSNFMOAQKGW-WBVHZDCISA-N 2 0 291.439 1.130 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3ccnc3)[C@@H]2C1 ZINC001084691078 925362147 /nfs/dbraw/zinc/36/21/47/925362147.db2.gz CXEOMGMMCGYIOZ-RRFJBIMHSA-N 2 0 288.395 1.553 20 30 CDEDRP C=CCC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)[C@H](C)C1 ZINC001102101226 937041208 /nfs/dbraw/zinc/04/12/08/937041208.db2.gz SOWIVVHREUJJPA-HUUCEWRRSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001150351396 937228476 /nfs/dbraw/zinc/22/84/76/937228476.db2.gz YBEVMZLCZZKUSD-GJZGRUSLSA-N 2 0 297.443 1.110 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861585 937245659 /nfs/dbraw/zinc/24/56/59/937245659.db2.gz UTQHWQLIBRKRLK-HOCLYGCPSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001202496170 928615347 /nfs/dbraw/zinc/61/53/47/928615347.db2.gz POOVKJGKTQYMMU-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109428057 928933499 /nfs/dbraw/zinc/93/34/99/928933499.db2.gz KTWJBLJFLZOQDL-UGUYLWEFSA-N 2 0 291.439 1.317 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1ccnc1)C2 ZINC001109579188 928976162 /nfs/dbraw/zinc/97/61/62/928976162.db2.gz IADOUOXHDPXHJM-RDBSUJKOSA-N 2 0 274.368 1.181 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2ccccc2)CC1 ZINC001152334340 937354597 /nfs/dbraw/zinc/35/45/97/937354597.db2.gz BAKRWKRFQCMREH-UHFFFAOYSA-N 2 0 299.418 1.238 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583806 929798304 /nfs/dbraw/zinc/79/83/04/929798304.db2.gz ORTFRNKVSVKWFJ-ZIAGYGMSSA-N 2 0 281.444 1.920 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180049 930085826 /nfs/dbraw/zinc/08/58/26/930085826.db2.gz CFGWWJLSCWJDPS-HUUCEWRRSA-N 2 0 293.455 1.757 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299038 930136578 /nfs/dbraw/zinc/13/65/78/930136578.db2.gz SMWVWUZAPQLWMN-ZIAGYGMSSA-N 2 0 279.428 1.224 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135476989 930225857 /nfs/dbraw/zinc/22/58/57/930225857.db2.gz PHFKWIWJEWVLLF-HUUCEWRRSA-N 2 0 293.455 1.615 20 30 CDEDRP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135924667 930544248 /nfs/dbraw/zinc/54/42/48/930544248.db2.gz VACQXSWTBZLJOU-HUUCEWRRSA-N 2 0 299.459 1.404 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135937949 930548422 /nfs/dbraw/zinc/54/84/22/930548422.db2.gz CBAWQYIIXYZGEA-LSDHHAIUSA-N 2 0 293.455 1.921 20 30 CDEDRP N#CC1(c2ccc(N[C@@H]([NH3+])CCC[NH3+])nc2)CCC1 ZINC001159783605 930844105 /nfs/dbraw/zinc/84/41/05/930844105.db2.gz DXQAPNBULMXFHD-GFCCVEGCSA-N 2 0 259.357 1.462 20 30 CDEDRP C#CCN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000886578554 930910406 /nfs/dbraw/zinc/91/04/06/930910406.db2.gz BUTPWKIIIAVDPX-UHFFFAOYSA-N 2 0 291.439 1.274 20 30 CDEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000104172348 931323254 /nfs/dbraw/zinc/32/32/54/931323254.db2.gz ILOCMWZCJANCNE-HNNXBMFYSA-N 2 0 274.412 1.475 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171247300 932119076 /nfs/dbraw/zinc/11/90/76/932119076.db2.gz LARDJQNZXUJDRP-HOCLYGCPSA-N 2 0 293.455 1.615 20 30 CDEDRP N#CC1(c2ccccc2)CCC(N(CC[NH3+])CC[NH3+])CC1 ZINC001246828684 932224533 /nfs/dbraw/zinc/22/45/33/932224533.db2.gz CEAODICOAGAJOL-UHFFFAOYSA-N 2 0 286.423 1.610 20 30 CDEDRP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146593571 932269461 /nfs/dbraw/zinc/26/94/61/932269461.db2.gz QCYLDKPDJPEAIS-CABCVRRESA-N 2 0 299.459 1.402 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147885890 932620347 /nfs/dbraw/zinc/62/03/47/932620347.db2.gz QHKCKSVKAZUFSI-ZDUSSCGKSA-N 2 0 253.390 1.000 20 30 CDEDRP C=C(C)CC[N@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174174 932660397 /nfs/dbraw/zinc/66/03/97/932660397.db2.gz BPHFKQIPNWDHKB-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092011346 932910974 /nfs/dbraw/zinc/91/09/74/932910974.db2.gz UQHPLNFXBFMRMC-UXLLHSPISA-N 2 0 291.439 1.295 20 30 CDEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001092022081 932912630 /nfs/dbraw/zinc/91/26/30/932912630.db2.gz MPTBSCCRNCDRGU-VYDXJSESSA-N 2 0 291.439 1.130 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120423927 937798770 /nfs/dbraw/zinc/79/87/70/937798770.db2.gz XVVLHHLFTFBWJD-JKSUJKDBSA-N 2 0 291.439 1.274 20 30 CDEDRP CCC(CC)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000304738556 935086761 /nfs/dbraw/zinc/08/67/61/935086761.db2.gz AUBUDNIQIWFXFQ-ZDUSSCGKSA-N 2 0 254.422 1.811 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001015605463 935576061 /nfs/dbraw/zinc/57/60/61/935576061.db2.gz OBKXLUADZZPIDK-IHRRRGAJSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001019661719 935712297 /nfs/dbraw/zinc/71/22/97/935712297.db2.gz BCEBLHVYBUPKHW-LBPRGKRZSA-N 2 0 274.368 1.138 20 30 CDEDRP C#CC[NH2+]CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001121919156 937890254 /nfs/dbraw/zinc/89/02/54/937890254.db2.gz AOBZCEWRMVMVMD-HNNXBMFYSA-N 2 0 299.418 1.551 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001121971355 937895545 /nfs/dbraw/zinc/89/55/45/937895545.db2.gz ABQMRBFWLLVGRN-SOUVJXGZSA-N 2 0 279.428 1.613 20 30 CDEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890565 938429452 /nfs/dbraw/zinc/42/94/52/938429452.db2.gz OZTGRWTXGZKXJP-CABCVRRESA-N 2 0 281.444 1.731 20 30 CDEDRP N#Cc1cnc(Cl)cc1C(F)(F)N[C@@H]([NH3+])CCC[NH3+] ZINC001159786299 938752870 /nfs/dbraw/zinc/75/28/70/938752870.db2.gz XURJXFMJGNFLTO-SNVBAGLBSA-N 2 0 289.717 1.269 20 30 CDEDRP N#CCc1cnc(N[C@H]([NH3+])CCC[NH3+])c(Cl)c1 ZINC001159789570 938753376 /nfs/dbraw/zinc/75/33/76/938753376.db2.gz VRORAEHSOUNIGR-JTQLQIEISA-N 2 0 253.737 1.237 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N(CC)[C@H]1CCC[NH2+]C1 ZINC001161339862 938892968 /nfs/dbraw/zinc/89/29/68/938892968.db2.gz NDYJREXGIOBDHL-AWEZNQCLSA-N 2 0 265.401 1.239 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412950 938901752 /nfs/dbraw/zinc/90/17/52/938901752.db2.gz MWUMCSIEFDQWOC-XQLPTFJDSA-N 2 0 279.428 1.646 20 30 CDEDRP N#Cc1cc2nc(NCCC[NH2+]CCCC[NH3+])ccc2[nH]1 ZINC001162293324 938972478 /nfs/dbraw/zinc/97/24/78/938972478.db2.gz XIPZFFMTRKUPJV-UHFFFAOYSA-N 2 0 286.383 1.565 20 30 CDEDRP CC(=NCc1cccc(C[NH3+])c1)Nc1cc(C[NH3+])ncn1 ZINC001163466186 939273018 /nfs/dbraw/zinc/27/30/18/939273018.db2.gz MQOAMUDGWBQZMM-UHFFFAOYSA-N 2 0 284.367 1.425 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163834241 939339470 /nfs/dbraw/zinc/33/94/70/939339470.db2.gz XNLKQXHWVYCWFS-UHFFFAOYSA-N 2 0 267.417 1.533 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163851462 939341916 /nfs/dbraw/zinc/34/19/16/939341916.db2.gz OBYZXDVNVYSJBX-UHFFFAOYSA-N 2 0 281.444 1.923 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165366689 939552472 /nfs/dbraw/zinc/55/24/72/939552472.db2.gz DUYYEJIJDZQPCQ-UHFFFAOYSA-N 2 0 261.797 1.177 20 30 CDEDRP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203519652 939691005 /nfs/dbraw/zinc/69/10/05/939691005.db2.gz BERQQRXKLQEDMU-HUUCEWRRSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203577608 939694384 /nfs/dbraw/zinc/69/43/84/939694384.db2.gz RKEISZJNKGRTQT-GJZGRUSLSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203793684 939705071 /nfs/dbraw/zinc/70/50/71/939705071.db2.gz SSNWIXXDMJXIRV-LSDHHAIUSA-N 2 0 291.439 1.367 20 30 CDEDRP N#Cc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)s1 ZINC001205241634 939841257 /nfs/dbraw/zinc/84/12/57/939841257.db2.gz UERHMVLBFRXITK-ZDUSSCGKSA-N 2 0 265.382 1.295 20 30 CDEDRP N#Cc1cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)ccc1Cl ZINC001205247294 939842174 /nfs/dbraw/zinc/84/21/74/939842174.db2.gz FCXZAVUOWBQXMF-HNNXBMFYSA-N 2 0 293.798 1.887 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001205462473 939892483 /nfs/dbraw/zinc/89/24/83/939892483.db2.gz ZDVFRTIRHJRRTF-MRXNPFEDSA-N 2 0 291.439 1.178 20 30 CDEDRP C[C@H]1CC[N@H+](Cc2cncc(C#N)c2)CC[C@@H]1C[NH3+] ZINC001205625943 939909932 /nfs/dbraw/zinc/90/99/32/939909932.db2.gz CRXBVEDDGIXMEI-SWLSCSKDSA-N 2 0 258.369 1.760 20 30 CDEDRP C#CCCC[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001209264088 940454398 /nfs/dbraw/zinc/45/43/98/940454398.db2.gz VNOMCVNJCBRIED-UHFFFAOYSA-N 2 0 286.423 1.750 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209454942 940592088 /nfs/dbraw/zinc/59/20/88/940592088.db2.gz PLIOAGKOUKGSJT-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001209588316 940613411 /nfs/dbraw/zinc/61/34/11/940613411.db2.gz GOTXQQOPIJKZSV-LSDHHAIUSA-N 2 0 279.428 1.321 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001209612521 940616892 /nfs/dbraw/zinc/61/68/92/940616892.db2.gz CFESGFNSWLNPOG-HZPDHXFCSA-N 2 0 293.455 1.711 20 30 CDEDRP C#Cc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cn1 ZINC001210263958 940677544 /nfs/dbraw/zinc/67/75/44/940677544.db2.gz KDFULOHEUCIBQQ-UHFFFAOYSA-N 2 0 279.347 1.611 20 30 CDEDRP CC[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000402195642 940890557 /nfs/dbraw/zinc/89/05/57/940890557.db2.gz BTQGRFACSWEVOF-FVQBIDKESA-N 2 0 273.380 1.651 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215541064 940893051 /nfs/dbraw/zinc/89/30/51/940893051.db2.gz WHZLGINAXSRNBH-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215568478 940893780 /nfs/dbraw/zinc/89/37/80/940893780.db2.gz QMTCBJRLUHHLKJ-HUUCEWRRSA-N 2 0 293.455 1.424 20 30 CDEDRP N#Cc1cc(F)c(NC(=O)[C@H]([NH3+])CCC[NH3+])c(Cl)c1 ZINC001218995103 941299595 /nfs/dbraw/zinc/29/95/95/941299595.db2.gz OWAGUSHHOMEPFE-SNVBAGLBSA-N 2 0 284.722 1.355 20 30 CDEDRP N#C[C@H](NC(=O)C[C@@H]([NH3+])CCCC[NH3+])c1ccccc1 ZINC001219558836 941355097 /nfs/dbraw/zinc/35/50/97/941355097.db2.gz XFYYOLKPFUUZFX-KBPBESRZSA-N 2 0 274.368 1.214 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001223534229 941684617 /nfs/dbraw/zinc/68/46/17/941684617.db2.gz YOOARYCZWQKDCW-INIZCTEOSA-N 2 0 295.471 1.977 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)C[N@@H+](C)CCC)CC1 ZINC001225251779 941832893 /nfs/dbraw/zinc/83/28/93/941832893.db2.gz ISXQUUYYCZLFIA-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+](CC)CC ZINC001229231640 942436776 /nfs/dbraw/zinc/43/67/76/942436776.db2.gz RXXMUWYHVWGMLF-HUUCEWRRSA-N 2 0 279.428 1.369 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001229504590 942483001 /nfs/dbraw/zinc/48/30/01/942483001.db2.gz WCFUMKLNAQIKMD-HUUCEWRRSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001230141208 942586072 /nfs/dbraw/zinc/58/60/72/942586072.db2.gz AFLSCDLEWWBUBK-ARFHVFGLSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001282414162 942709121 /nfs/dbraw/zinc/70/91/21/942709121.db2.gz VSMYFPLNUHYSGE-UONOGXRCSA-N 2 0 269.433 1.729 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC001263105259 943747683 /nfs/dbraw/zinc/74/76/83/943747683.db2.gz IYARIYINTPXUCK-AWEZNQCLSA-N 2 0 277.368 1.646 20 30 CDEDRP C=CC[NH2+]CCN1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001236060888 944396667 /nfs/dbraw/zinc/39/66/67/944396667.db2.gz SPVSYATWUCONDE-KRWDZBQOSA-N 2 0 271.408 1.677 20 30 CDEDRP CN(C)C1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC[NH+](C)CC1 ZINC001254638433 947566111 /nfs/dbraw/zinc/56/61/11/947566111.db2.gz YHLJEZBXZFPDFI-UONOGXRCSA-N 2 0 264.417 1.294 20 30 CDEDRP N#C[C@H]1CC[C@@H](N2CC[NH+](CCCC[NH3+])CC2)C1 ZINC001254657169 947575210 /nfs/dbraw/zinc/57/52/10/947575210.db2.gz OBSDBMOYNRNHPW-UONOGXRCSA-N 2 0 250.390 1.035 20 30 CDEDRP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246860234 948485025 /nfs/dbraw/zinc/48/50/25/948485025.db2.gz NMYLCDAORFOGSC-AJSFGMTHSA-N 2 0 285.391 1.395 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001425889297 957635346 /nfs/dbraw/zinc/63/53/46/957635346.db2.gz RJAIWXRTYJNMOC-QWHCGFSZSA-N 2 0 287.835 1.660 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001340864735 963161610 /nfs/dbraw/zinc/16/16/10/963161610.db2.gz JIDQPWXSWUPRSN-AGIUHOORSA-N 2 0 253.390 1.269 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC001341435036 963412314 /nfs/dbraw/zinc/41/23/14/963412314.db2.gz QLENKDBGNLIXRU-OBJOEFQTSA-N 2 0 251.374 1.010 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](CC=C)CC1 ZINC001341697999 963515730 /nfs/dbraw/zinc/51/57/30/963515730.db2.gz XRZKRVCDNOADMO-AWEZNQCLSA-N 2 0 265.401 1.437 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC001342144812 963654477 /nfs/dbraw/zinc/65/44/77/963654477.db2.gz MWNVQOURWRKAHS-CABCVRRESA-N 2 0 281.444 1.907 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001343085098 963902988 /nfs/dbraw/zinc/90/29/88/963902988.db2.gz KRMJZFKVKMUXRD-QWHCGFSZSA-N 2 0 253.390 1.318 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001480474922 967958534 /nfs/dbraw/zinc/95/85/34/967958534.db2.gz MPVYHVFDVPPYNE-NSHDSACASA-N 2 0 273.808 1.318 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001100407835 968264325 /nfs/dbraw/zinc/26/43/25/968264325.db2.gz LKDMRQDHWNBANK-AVVWSFFYSA-N 2 0 293.455 1.777 20 30 CDEDRP C#CC[C@]1(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)CCC[NH2+]1 ZINC001574515847 1170990142 /nfs/dbraw/zinc/99/01/42/1170990142.db2.gz AIHCSJIGIPWDFH-CKEIUWERSA-N 2 0 289.423 1.121 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC001574908177 1171046675 /nfs/dbraw/zinc/04/66/75/1171046675.db2.gz GNCTYYBLZLSZDC-CYBMUJFWSA-N 2 0 276.384 1.765 20 30 CDEDRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(CC#N)CC1 ZINC000591570969 342637522 /nfs/dbraw/zinc/63/75/22/342637522.db2.gz MFAWLLUKGQTRKR-GOEBONIOSA-N 2 0 278.444 1.875 20 30 CDEDRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000591739461 342644956 /nfs/dbraw/zinc/64/49/56/342644956.db2.gz WDCGOHPOPDBFHO-AWEZNQCLSA-N 2 0 277.416 1.046 20 30 CDEDRP C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CCC(C)CC1 ZINC000087081813 342226311 /nfs/dbraw/zinc/22/63/11/342226311.db2.gz URNVJTDFAMFOLV-UHFFFAOYSA-N 2 0 292.431 1.293 20 30 CDEDRP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000595611906 343108823 /nfs/dbraw/zinc/10/88/23/343108823.db2.gz OWXOOQBHQSXOBM-GJZGRUSLSA-N 2 0 292.427 1.165 20 30 CDEDRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000105476497 346647433 /nfs/dbraw/zinc/64/74/33/346647433.db2.gz COMZHTONORRSPM-UHFFFAOYSA-N 2 0 286.423 1.675 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C)cc1 ZINC000264066143 362957148 /nfs/dbraw/zinc/95/71/48/362957148.db2.gz FAVOIMKGZSVSRJ-OAHLLOKOSA-N 2 0 274.412 1.884 20 30 CDEDRP C[C@@H]1C[N@@H+](CCCNC(=[NH2+])Nc2ccccc2)C[C@H](C)O1 ZINC000264072097 362957865 /nfs/dbraw/zinc/95/78/65/362957865.db2.gz GKSJRVMLLCNHOJ-OKILXGFUSA-N 2 0 290.411 1.913 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC[NH2+]C1)C(C)C ZINC000165202000 363628186 /nfs/dbraw/zinc/62/81/86/363628186.db2.gz GALYERVWTPYFOI-LSDHHAIUSA-N 2 0 279.428 1.411 20 30 CDEDRP C=CCC[C@H](CO)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000320248626 360476657 /nfs/dbraw/zinc/47/66/57/360476657.db2.gz HWLPDHFFAQPEBU-OAHLLOKOSA-N 2 0 275.396 1.967 20 30 CDEDRP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436051951 361470012 /nfs/dbraw/zinc/47/00/12/361470012.db2.gz LFXZOHAPYWBKTM-ZDUSSCGKSA-N 2 0 253.390 1.272 20 30 CDEDRP C[C@H](CNC(=[NH2+])Nc1ccccn1)[NH+]1CCC(C)CC1 ZINC000170912010 365162844 /nfs/dbraw/zinc/16/28/44/365162844.db2.gz YDCDQBYPYGQFLV-CYBMUJFWSA-N 2 0 275.400 1.929 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000305054913 370832352 /nfs/dbraw/zinc/83/23/52/370832352.db2.gz DSVOAWBLYMXPHX-OAHLLOKOSA-N 2 0 254.418 1.977 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(C#N)o1 ZINC000289720091 369634308 /nfs/dbraw/zinc/63/43/08/369634308.db2.gz HCRMSUYMPJXENY-UHFFFAOYSA-N 2 0 292.427 1.857 20 30 CDEDRP C[C@@H](NC[C@H]1C[NH2+]CCN1C)c1cccc(C#N)c1 ZINC000423517584 374388965 /nfs/dbraw/zinc/38/89/65/374388965.db2.gz OCGZMXDJJNYQQI-IUODEOHRSA-N 2 0 258.369 1.112 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000417540223 377923077 /nfs/dbraw/zinc/92/30/77/377923077.db2.gz PBWNLSHEFAUFGK-CQSZACIVSA-N 2 0 280.416 1.078 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC2([NH3+])CCC2)CC1 ZINC000417534484 377906097 /nfs/dbraw/zinc/90/60/97/377906097.db2.gz HUHVXVDPZLWNDX-UHFFFAOYSA-N 2 0 280.416 1.208 20 30 CDEDRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H](C#N)C3)C2)CC1 ZINC000373171768 391108597 /nfs/dbraw/zinc/10/85/97/391108597.db2.gz BVQPVNJLQKFMSK-OAGGEKHMSA-N 2 0 290.455 1.827 20 30 CDEDRP C[C@H](CCC#N)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000351598149 391083308 /nfs/dbraw/zinc/08/33/08/391083308.db2.gz SLCUHIWNEMPVHE-CQSZACIVSA-N 2 0 265.401 1.723 20 30 CDEDRP C[NH+]=C(NCc1ccoc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000176314874 391150864 /nfs/dbraw/zinc/15/08/64/391150864.db2.gz QEKQTTVMPBDHPF-GFCCVEGCSA-N 2 0 276.384 1.429 20 30 CDEDRP C=CCN1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000339066017 391248762 /nfs/dbraw/zinc/24/87/62/391248762.db2.gz AEPXHULYFNCDOJ-HZPDHXFCSA-N 2 0 263.429 1.853 20 30 CDEDRP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000345767780 391311348 /nfs/dbraw/zinc/31/13/48/391311348.db2.gz HOVSUTKZTUVFNC-CYBMUJFWSA-N 2 0 292.427 1.211 20 30 CDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647797979 391660423 /nfs/dbraw/zinc/66/04/23/391660423.db2.gz JBTFASUOBQJJHW-JARUQAPTSA-N 2 0 250.386 1.698 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000065407700 393400711 /nfs/dbraw/zinc/40/07/11/393400711.db2.gz LTUVRCKYVKKEFO-OAHLLOKOSA-N 2 0 291.439 1.180 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccncc1C ZINC000162895885 261297746 /nfs/dbraw/zinc/29/77/46/261297746.db2.gz GJIJCZYXOJUUJT-OAHLLOKOSA-N 2 0 289.427 1.321 20 30 CDEDRP C[C@H]1C[NH+]=C(NCCC[N@@H+]2CCc3ccccc3C2)N1 ZINC000284986722 263088850 /nfs/dbraw/zinc/08/88/50/263088850.db2.gz HBOAOZDNAMOHFQ-ZDUSSCGKSA-N 2 0 272.396 1.372 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CC[NH2+]C1)C(C)C ZINC000417058383 263779348 /nfs/dbraw/zinc/77/93/48/263779348.db2.gz FOILLPQGPIWOAI-GJZGRUSLSA-N 2 0 294.443 1.346 20 30 CDEDRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CC[C@@H](C#N)C2)CC1 ZINC000330450671 263955755 /nfs/dbraw/zinc/95/57/55/263955755.db2.gz JEKMRGHUDUPRPO-IMJJTQAJSA-N 2 0 279.428 1.703 20 30 CDEDRP C=CC[N@@H+](CCOCC[NH3+])Cc1cccc([N+](=O)[O-])c1 ZINC000357088851 266245819 /nfs/dbraw/zinc/24/58/19/266245819.db2.gz PEJFGLHIERPVNH-UHFFFAOYSA-N 2 0 279.340 1.558 20 30 CDEDRP C=CCNC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123266670 268020298 /nfs/dbraw/zinc/02/02/98/268020298.db2.gz WTKGGWVKFYTIHA-UHFFFAOYSA-N 2 0 267.417 1.342 20 30 CDEDRP CC[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC1CCCC1 ZINC000103905782 276095791 /nfs/dbraw/zinc/09/57/91/276095791.db2.gz YXNQANPEXYEDED-CYBMUJFWSA-N 2 0 278.444 1.968 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CCCO1)NCC1([NH+](C)C)CCCCC1 ZINC000262569674 330021867 /nfs/dbraw/zinc/02/18/67/330021867.db2.gz MSANTYZNRVGURK-AWEZNQCLSA-N 2 0 296.459 1.595 20 30 CDEDRP C[C@H]1C[NH+]=C(NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)N1 ZINC000262648901 330024468 /nfs/dbraw/zinc/02/44/68/330024468.db2.gz JZMNFELCVVFBKU-NEPJUHHUSA-N 2 0 252.406 1.434 20 30 CDEDRP CC[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)NC1CC1 ZINC000263226669 330049968 /nfs/dbraw/zinc/04/99/68/330049968.db2.gz GRXDIPOLAIPMTQ-STQMWFEESA-N 2 0 266.433 1.967 20 30 CDEDRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])CCCC#N)[C@@H](C)C1 ZINC000424148399 330295047 /nfs/dbraw/zinc/29/50/47/330295047.db2.gz UIOMWHMAGOXNPJ-MJBXVCDLSA-N 2 0 280.416 1.196 20 30 CDEDRP C#CCN(C)CCC[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000380842421 336036460 /nfs/dbraw/zinc/03/64/60/336036460.db2.gz PEMIJVHQWLWURS-AWEZNQCLSA-N 2 0 282.334 1.543 20 30 CDEDRP C=CC(C)(C)CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000581473977 336085747 /nfs/dbraw/zinc/08/57/47/336085747.db2.gz GVWBJUSMQFKMRQ-UHFFFAOYSA-N 2 0 284.448 1.333 20 30 CDEDRP C=CCCC[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001752490519 1159804886 /nfs/dbraw/zinc/80/48/86/1159804886.db2.gz JZMZCFOYSLDAMI-HNNXBMFYSA-N 2 0 291.439 1.533 20 30 CDEDRP C=C(C)CC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000681405929 482841337 /nfs/dbraw/zinc/84/13/37/482841337.db2.gz LWJZFYDEOCJINK-HNNXBMFYSA-N 2 0 251.418 1.664 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127321684 1161143412 /nfs/dbraw/zinc/14/34/12/1161143412.db2.gz CRSITQKHJYLBDV-UHFFFAOYSA-N 2 0 281.444 1.923 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001113010604 1162069274 /nfs/dbraw/zinc/06/92/74/1162069274.db2.gz FLQXVJHKSYFNOA-CQSZACIVSA-N 2 0 267.417 1.437 20 30 CDEDRP C=C(C)CC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001754986265 1185779464 /nfs/dbraw/zinc/77/94/64/1185779464.db2.gz YOCSPIZWHYVASC-UHFFFAOYSA-N 2 0 267.417 1.533 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001113671989 1162253514 /nfs/dbraw/zinc/25/35/14/1162253514.db2.gz KVLOSUCEXHPHJQ-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000305085322 538469983 /nfs/dbraw/zinc/46/99/83/538469983.db2.gz NVMFKXCYTSTMLY-HNNXBMFYSA-N 2 0 261.369 1.531 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000764456417 575909553 /nfs/dbraw/zinc/90/95/53/575909553.db2.gz IZHGISPMDAKKFT-UHFFFAOYSA-N 2 0 289.423 1.695 20 30 CDEDRP C#CCCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000766930491 576147083 /nfs/dbraw/zinc/14/70/83/576147083.db2.gz HEDPGSHPKHUMSJ-RBSFLKMASA-N 2 0 250.386 1.583 20 30 CDEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000963562845 612955767 /nfs/dbraw/zinc/95/57/67/612955767.db2.gz FZXAYTGHXTWYII-UYSNPLJNSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000970928803 612993944 /nfs/dbraw/zinc/99/39/44/612993944.db2.gz MGPSNLGJLYEFMH-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000971640740 613083883 /nfs/dbraw/zinc/08/38/83/613083883.db2.gz HYHUJZNCKPEEFB-HUUCEWRRSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CC[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000948779432 613177821 /nfs/dbraw/zinc/17/78/21/613177821.db2.gz NRGXMSVIORRWST-HOTGVXAUSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000980484337 613289915 /nfs/dbraw/zinc/28/99/15/613289915.db2.gz YLKWHWOKTVLSEA-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000969845911 613384969 /nfs/dbraw/zinc/38/49/69/613384969.db2.gz LGOHFJXKYZMCSV-CHWSQXEVSA-N 2 0 287.835 1.516 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942598001 613535141 /nfs/dbraw/zinc/53/51/41/613535141.db2.gz PTJFVPQNHRKNJS-HOCLYGCPSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000971942069 613621514 /nfs/dbraw/zinc/62/15/14/613621514.db2.gz CFNAOPBYYGMGGS-OAHLLOKOSA-N 2 0 284.363 1.667 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948742400 613700101 /nfs/dbraw/zinc/70/01/01/613700101.db2.gz IJVXMRGRBRMHSW-MRXNPFEDSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946517152 613832756 /nfs/dbraw/zinc/83/27/56/613832756.db2.gz ACNIMARLJDBBLY-XHSDSOJGSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000891522662 617459384 /nfs/dbraw/zinc/45/93/84/617459384.db2.gz TUAWGWMJRFHIAE-GOEBONIOSA-N 2 0 292.427 1.221 20 30 CDEDRP C=CCS(=O)(=O)CC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925634272 617579963 /nfs/dbraw/zinc/57/99/63/617579963.db2.gz JBYFDTKANCJXTH-HNNXBMFYSA-N 2 0 296.436 1.657 20 30 CDEDRP C=CCN1CCC([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000892880827 617855890 /nfs/dbraw/zinc/85/58/90/617855890.db2.gz KXQKCOHPLFHAKS-UHFFFAOYSA-N 2 0 251.418 1.568 20 30 CDEDRP COc1cccc(NC(=[NH2+])NCC[N@H+](C)C(C)C)c1 ZINC000104191669 618104883 /nfs/dbraw/zinc/10/48/83/618104883.db2.gz LUTMOIHENJRZMN-UHFFFAOYSA-N 2 0 264.373 1.762 20 30 CDEDRP CC#CC[C@@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000895096179 619285618 /nfs/dbraw/zinc/28/56/18/619285618.db2.gz MRLBRVRXKBISCS-AWEZNQCLSA-N 2 0 252.402 1.613 20 30 CDEDRP CCC[N@@H+]1CCC[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)C1 ZINC000906601981 627348162 /nfs/dbraw/zinc/34/81/62/627348162.db2.gz YCTJGINVXCSHIK-AWEZNQCLSA-N 2 0 292.427 1.213 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000910287017 628962748 /nfs/dbraw/zinc/96/27/48/628962748.db2.gz JLLJUAWQFKDLOC-HNNXBMFYSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129422660 1162472103 /nfs/dbraw/zinc/47/21/03/1162472103.db2.gz KIWJGUPGTCEJST-AWEZNQCLSA-N 2 0 265.401 1.285 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130710776 1162697724 /nfs/dbraw/zinc/69/77/24/1162697724.db2.gz DOHBLJDSEILAEZ-ZDUSSCGKSA-N 2 0 287.835 1.565 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001113277300 1162147078 /nfs/dbraw/zinc/14/70/78/1162147078.db2.gz HODRBKZFZZGXKW-UHFFFAOYSA-N 2 0 253.390 1.049 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001133072951 1163551589 /nfs/dbraw/zinc/55/15/89/1163551589.db2.gz NKWCKRAVBZMXNS-LSDHHAIUSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133690435 1163854243 /nfs/dbraw/zinc/85/42/43/1163854243.db2.gz LKYIICDIUBZAEZ-CQSZACIVSA-N 2 0 285.432 1.015 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133850928 1163924138 /nfs/dbraw/zinc/92/41/38/1163924138.db2.gz RSGBAHIKXYKOSY-HNNXBMFYSA-N 2 0 285.407 1.481 20 30 CDEDRP C=CC[NH2+]CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133849603 1163934396 /nfs/dbraw/zinc/93/43/96/1163934396.db2.gz AKTZBBBUCMYZEP-AWEZNQCLSA-N 2 0 271.380 1.091 20 30 CDEDRP C=CCC[C@H](O)C[NH2+][C@H]1CCN(C2CCOCC2)C1 ZINC001252620000 1164714684 /nfs/dbraw/zinc/71/46/84/1164714684.db2.gz PXBKZLLNSANCLG-ZFWWWQNUSA-N 2 0 268.401 1.156 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@]2(C)C[C@H]([NH3+])CCO2)CC1 ZINC001574836844 1171021422 /nfs/dbraw/zinc/02/14/22/1171021422.db2.gz VIUMVUZGVGWDOF-CJNGLKHVSA-N 2 0 295.427 1.040 20 30 CDEDRP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001669909781 1173628518 /nfs/dbraw/zinc/62/85/18/1173628518.db2.gz JHHMYDWHPFKUIK-KBPBESRZSA-N 2 0 269.433 1.729 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001723949025 1181624753 /nfs/dbraw/zinc/62/47/53/1181624753.db2.gz FSVRAPZYWXZEMB-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NCC[N@@H+](C(C)C)C1CC1 ZINC001753155542 1182220766 /nfs/dbraw/zinc/22/07/66/1182220766.db2.gz CPXKOPZVYJTDMY-HNNXBMFYSA-N 2 0 277.412 1.073 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001731354311 1182334948 /nfs/dbraw/zinc/33/49/48/1182334948.db2.gz JACQFZXPJVGGJF-CVEARBPZSA-N 2 0 293.455 1.711 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001752543055 1184877295 /nfs/dbraw/zinc/87/72/95/1184877295.db2.gz UPBLSERBEIRXHZ-GASCZTMLSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CCCC[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001753063689 1185032056 /nfs/dbraw/zinc/03/20/56/1185032056.db2.gz AYZCRZNHXKAVRY-AWEZNQCLSA-N 2 0 267.417 1.342 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001753115678 1185068011 /nfs/dbraw/zinc/06/80/11/1185068011.db2.gz MMFTXHHGZDSUNQ-AWEZNQCLSA-N 2 0 265.401 1.239 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001753134522 1185080103 /nfs/dbraw/zinc/08/01/03/1185080103.db2.gz BONMDHZJUNZRBW-INIZCTEOSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001753895455 1185384604 /nfs/dbraw/zinc/38/46/04/1185384604.db2.gz XYEABZZZMHVZMA-HZPDHXFCSA-N 2 0 293.455 1.779 20 30 CDEDRP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001754103163 1185465056 /nfs/dbraw/zinc/46/50/56/1185465056.db2.gz ILRKCCQDMPWOJT-WSNITJDQSA-N 2 0 265.401 1.309 20 30 CDEDRP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001754139367 1185480685 /nfs/dbraw/zinc/48/06/85/1185480685.db2.gz NSVZBRMVXMGDFJ-GEXIGZQTSA-N 2 0 265.401 1.309 20 30 CDEDRP C=CC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001754178076 1185494521 /nfs/dbraw/zinc/49/45/21/1185494521.db2.gz IAZAZFZIOCGTBM-LQYUOIDQSA-N 2 0 279.428 1.697 20 30 CDEDRP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001754313767 1185572813 /nfs/dbraw/zinc/57/28/13/1185572813.db2.gz DFRDZDLGEOAOKE-CYBMUJFWSA-N 2 0 298.390 1.716 20 30 CDEDRP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001754332226 1185584334 /nfs/dbraw/zinc/58/43/34/1185584334.db2.gz ATLHIOQRLUJJAR-KGLIPLIRSA-N 2 0 267.417 1.341 20 30 CDEDRP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001754955392 1185770392 /nfs/dbraw/zinc/77/03/92/1185770392.db2.gz DBKVKAZPEATOME-SHTZXODSSA-N 2 0 293.455 1.779 20 30 CDEDRP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001755044590 1185798572 /nfs/dbraw/zinc/79/85/72/1185798572.db2.gz WDRVYMLKQPDOAO-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001755319592 1185914223 /nfs/dbraw/zinc/91/42/23/1185914223.db2.gz JQEGSNQNMIIPTO-GJZGRUSLSA-N 2 0 279.428 1.319 20 30 CDEDRP N#Cc1ccc(N2CCC([NH2+]C[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC000873258734 739293453 /nfs/dbraw/zinc/29/34/53/739293453.db2.gz VSCXTBRPOUPKBO-SHTZXODSSA-N 2 0 284.407 1.854 20 30 CDEDRP CCCCCCNC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 ZINC000304765525 739303893 /nfs/dbraw/zinc/30/38/93/739303893.db2.gz ZJOOHGOIMHBPSM-CYBMUJFWSA-N 2 0 254.422 1.813 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999374634 739332234 /nfs/dbraw/zinc/33/22/34/739332234.db2.gz RSSNOUWPZZGYPX-HUUCEWRRSA-N 2 0 279.428 1.483 20 30 CDEDRP CC(C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000303867354 739435267 /nfs/dbraw/zinc/43/52/67/739435267.db2.gz CUXOOCWPGYRVDO-ZDUSSCGKSA-N 2 0 254.422 1.667 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052864907 739654726 /nfs/dbraw/zinc/65/47/26/739654726.db2.gz AHHYBADUHJPWRL-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP COCCNC(=[NH2+])NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000303258346 739783209 /nfs/dbraw/zinc/78/32/09/739783209.db2.gz KUMOYXGVVLCNJI-KBPBESRZSA-N 2 0 284.448 1.295 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001038257253 739811021 /nfs/dbraw/zinc/81/10/21/739811021.db2.gz ACXIZRPTAWERHW-CABCVRRESA-N 2 0 277.412 1.095 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001034777244 739812538 /nfs/dbraw/zinc/81/25/38/739812538.db2.gz GPBITNFTIQVVFW-HDJSIYSDSA-N 2 0 277.412 1.285 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001020676103 739856303 /nfs/dbraw/zinc/85/63/03/739856303.db2.gz RHFADMKOLJEBQZ-RBSFLKMASA-N 2 0 279.428 1.672 20 30 CDEDRP CC(=NNC1=[NH+]C[C@@H](C)N1)c1cccc(C[NH+](C)C)c1 ZINC000814898797 740012454 /nfs/dbraw/zinc/01/24/54/740012454.db2.gz WHJYMNRYLIQFLN-LLVKDONJSA-N 2 0 273.384 1.410 20 30 CDEDRP CC[NH+]=C(NC1CC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261931664 740068071 /nfs/dbraw/zinc/06/80/71/740068071.db2.gz BMVXSMUFXGUXSI-ZWNOBZJWSA-N 2 0 250.390 1.187 20 30 CDEDRP CN(C)C(NCc1ccccc1)=[NH+]C[C@H]1CC[N@H+](C)C1 ZINC000303885154 740081267 /nfs/dbraw/zinc/08/12/67/740081267.db2.gz JMVOCSMPBKZBHW-OAHLLOKOSA-N 2 0 274.412 1.646 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034042904 740165661 /nfs/dbraw/zinc/16/56/61/740165661.db2.gz RSNBYRKECNFUND-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)CN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001038445935 740576237 /nfs/dbraw/zinc/57/62/37/740576237.db2.gz WMPKDILVDNAWAK-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)Cn2cncc2C)C1 ZINC001007956848 740625942 /nfs/dbraw/zinc/62/59/42/740625942.db2.gz WVMHDONPDNNFJD-CQSZACIVSA-N 2 0 276.384 1.348 20 30 CDEDRP COCC[N@H+](C)CCCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000303872544 740660593 /nfs/dbraw/zinc/66/05/93/740660593.db2.gz CBIACMNXPXHRPZ-CYBMUJFWSA-N 2 0 270.421 1.001 20 30 CDEDRP [NH2+]=C(NCC1CCC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262012741 740739539 /nfs/dbraw/zinc/73/95/39/740739539.db2.gz UUMKYWLFZZJYMQ-GFCCVEGCSA-N 2 0 250.390 1.175 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000997370188 740841234 /nfs/dbraw/zinc/84/12/34/740841234.db2.gz VEDFFEOQNGBXTM-MRXNPFEDSA-N 2 0 291.439 1.321 20 30 CDEDRP CC[NH+]=C(NCC(C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261958553 740893966 /nfs/dbraw/zinc/89/39/66/740893966.db2.gz JLQQGYRQADWAKC-GXTWGEPZSA-N 2 0 266.433 1.680 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001028661125 740916273 /nfs/dbraw/zinc/91/62/73/740916273.db2.gz GBDXIGMYCWKIRP-ZDUSSCGKSA-N 2 0 284.363 1.572 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007352161 740957135 /nfs/dbraw/zinc/95/71/35/740957135.db2.gz YOIKCCCBVIYGHP-CVEARBPZSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001039460029 740980755 /nfs/dbraw/zinc/98/07/55/740980755.db2.gz VPIOBSPTIWXDPC-XHSDSOJGSA-N 2 0 291.439 1.580 20 30 CDEDRP C#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001041353438 741001807 /nfs/dbraw/zinc/00/18/07/741001807.db2.gz HNIRYPXMNVJWGA-QGZVFWFLSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032128790 741208764 /nfs/dbraw/zinc/20/87/64/741208764.db2.gz KIESBASXKXAQME-CVEARBPZSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCN1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001031730241 741439395 /nfs/dbraw/zinc/43/93/95/741439395.db2.gz IBWZRYMAQNXUGJ-INIZCTEOSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001023762240 741480756 /nfs/dbraw/zinc/48/07/56/741480756.db2.gz UXQZFCIIXZEWQJ-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000985752431 741647743 /nfs/dbraw/zinc/64/77/43/741647743.db2.gz TYZUXYMSZRUUQD-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001027879634 741811621 /nfs/dbraw/zinc/81/16/21/741811621.db2.gz VSDGVCRESGNHIF-CVEARBPZSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041357958 741859134 /nfs/dbraw/zinc/85/91/34/741859134.db2.gz JPFKIAKCBONBME-DOTOQJQBSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034738655 741863851 /nfs/dbraw/zinc/86/38/51/741863851.db2.gz VINYUQQAKDWVCS-FPCVCCKLSA-N 2 0 293.455 1.777 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000987354917 741881666 /nfs/dbraw/zinc/88/16/66/741881666.db2.gz GDXBWTQKRLLAHM-KGLIPLIRSA-N 2 0 277.412 1.237 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000303881896 741891389 /nfs/dbraw/zinc/89/13/89/741891389.db2.gz LEPYCUOYIJGCIA-AWEZNQCLSA-N 2 0 284.448 1.438 20 30 CDEDRP C=CC[C@@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000925699101 741893683 /nfs/dbraw/zinc/89/36/83/741893683.db2.gz UMONJJIWYMDVKC-WZYMTQMTSA-N 2 0 282.428 1.402 20 30 CDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@@H+](CC)C1CC1 ZINC000876749287 741914308 /nfs/dbraw/zinc/91/43/08/741914308.db2.gz MQRPMRTWEHYMMD-LLVKDONJSA-N 2 0 259.781 1.057 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC000989393441 742218263 /nfs/dbraw/zinc/21/82/63/742218263.db2.gz ZVKNNAUTAFFHRL-OCCSQVGLSA-N 2 0 299.846 1.660 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000990244947 742229366 /nfs/dbraw/zinc/22/93/66/742229366.db2.gz RELJDBMQURSXFP-ZDUSSCGKSA-N 2 0 285.819 1.414 20 30 CDEDRP C[C@H](CNC(=[NH2+])N1CCCCC1)C[NH+]1CCCC1 ZINC000303903453 742183766 /nfs/dbraw/zinc/18/37/66/742183766.db2.gz YJZSXEOWQBOYKF-CYBMUJFWSA-N 2 0 252.406 1.519 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001072541585 742333645 /nfs/dbraw/zinc/33/36/45/742333645.db2.gz ABZGCRDKWGEBEJ-AWEZNQCLSA-N 2 0 277.412 1.191 20 30 CDEDRP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001023403280 739252405 /nfs/dbraw/zinc/25/24/05/739252405.db2.gz IMEXKDZLJJYXTL-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001031850044 739400148 /nfs/dbraw/zinc/40/01/48/739400148.db2.gz MQKGXXLFNJMVFY-UHFFFAOYSA-N 2 0 282.347 1.019 20 30 CDEDRP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001028551851 739462979 /nfs/dbraw/zinc/46/29/79/739462979.db2.gz ZUITYJMZZWKTBF-SOUVJXGZSA-N 2 0 279.428 1.341 20 30 CDEDRP CCCCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000303897922 739569605 /nfs/dbraw/zinc/56/96/05/739569605.db2.gz QVIQVQCYJWNYOF-OLZOCXBDSA-N 2 0 254.422 1.954 20 30 CDEDRP N#Cc1ccc([C@H](O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000923326711 739810135 /nfs/dbraw/zinc/81/01/35/739810135.db2.gz IIRZXHWPLQVCQR-MRXNPFEDSA-N 2 0 285.391 1.667 20 30 CDEDRP CC[NH+]=C(NC[C@@H](C)C[NH+]1CCN(C)CC1)NC(C)(C)C ZINC000103895900 739843941 /nfs/dbraw/zinc/84/39/41/739843941.db2.gz ICCKAGYCBGUJHT-CQSZACIVSA-N 2 0 297.491 1.224 20 30 CDEDRP C=CC[N@@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001023465037 739844532 /nfs/dbraw/zinc/84/45/32/739844532.db2.gz KLJHEGQDWGLBCL-HNNXBMFYSA-N 2 0 291.439 1.629 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001007376093 740061065 /nfs/dbraw/zinc/06/10/65/740061065.db2.gz HNZOQNNOQREYPW-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C[NH+](C)CC(C)(C)CNC(=[NH2+])NCCc1ccccc1 ZINC000303692362 740190620 /nfs/dbraw/zinc/19/06/20/740190620.db2.gz BFUDYCOETSSZQI-UHFFFAOYSA-N 2 0 276.428 1.721 20 30 CDEDRP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001032493465 740211377 /nfs/dbraw/zinc/21/13/77/740211377.db2.gz VSHLFAOZAPQNQA-JYJNAYRXSA-N 2 0 291.439 1.578 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001000690003 740815330 /nfs/dbraw/zinc/81/53/30/740815330.db2.gz QUMZUSLGGCLLGU-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994248487 741227237 /nfs/dbraw/zinc/22/72/37/741227237.db2.gz FIXSHZXJXQBPAP-CABCVRRESA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001000101467 741467554 /nfs/dbraw/zinc/46/75/54/741467554.db2.gz FFKINQUFWVXFPH-HUUCEWRRSA-N 2 0 281.444 1.729 20 30 CDEDRP C=CCN1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015500765 741496431 /nfs/dbraw/zinc/49/64/31/741496431.db2.gz XHBAVFDTNHOQRP-CYBMUJFWSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CC[N@H+](C)CCCNCc1cccnc1Cl ZINC000883131905 741562843 /nfs/dbraw/zinc/56/28/43/741562843.db2.gz YIJWSEBFWMIWIT-UHFFFAOYSA-N 2 0 251.761 1.780 20 30 CDEDRP C#Cc1ccc(C[NH2+]CCCN(C)CC[NH+](C)C)cc1 ZINC000857783872 741582375 /nfs/dbraw/zinc/58/23/75/741582375.db2.gz GOUKMOLPIJDLMQ-UHFFFAOYSA-N 2 0 273.424 1.641 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001000223287 741654903 /nfs/dbraw/zinc/65/49/03/741654903.db2.gz FYAFMXMESINOME-STQMWFEESA-N 2 0 287.835 1.660 20 30 CDEDRP C[NH+]=C(NCC1(C2CC2)CC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261948180 742046377 /nfs/dbraw/zinc/04/63/77/742046377.db2.gz GNICTXYXXHVUAU-SWLSCSKDSA-N 2 0 290.455 1.824 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N(C)CC[NH+]1CCCCC1 ZINC000845220696 742098001 /nfs/dbraw/zinc/09/80/01/742098001.db2.gz MLNLXRMMMHXSSK-UHFFFAOYSA-N 2 0 294.443 1.069 20 30 CDEDRP CN(C)C(=[NH+]C[C@H]1[N@H+](C)CCCC1(C)C)N(C)C ZINC000849024412 742131391 /nfs/dbraw/zinc/13/13/91/742131391.db2.gz WJZRHFKESNUQEQ-GFCCVEGCSA-N 2 0 254.422 1.586 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000849006512 742269830 /nfs/dbraw/zinc/26/98/30/742269830.db2.gz NCPUHCMVCLNINZ-UHFFFAOYSA-N 2 0 282.432 1.566 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ncccc1F ZINC000130590955 742295931 /nfs/dbraw/zinc/29/59/31/742295931.db2.gz ZUHGKSDUGYBHQC-NSHDSACASA-N 2 0 279.363 1.109 20 30 CDEDRP C=C(Cl)CN1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009200947 742317042 /nfs/dbraw/zinc/31/70/42/742317042.db2.gz IVRYIVJUPWYCDS-KBPBESRZSA-N 2 0 299.846 1.661 20 30 CDEDRP CC(C)NC(=[NH2+])NCCCC[N@@H+]1CCCC[C@H]1C ZINC000303909342 742318138 /nfs/dbraw/zinc/31/81/38/742318138.db2.gz YDDFEAOPCYTOTQ-CYBMUJFWSA-N 2 0 254.422 1.954 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001022596690 742322217 /nfs/dbraw/zinc/32/22/17/742322217.db2.gz QDLGCWGTPSNXRX-XDQVBPFNSA-N 2 0 265.401 1.140 20 30 CDEDRP C=CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046330848 742331476 /nfs/dbraw/zinc/33/14/76/742331476.db2.gz UWLGRIPJGSGQEG-LZWOXQAQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000999620919 742579639 /nfs/dbraw/zinc/57/96/39/742579639.db2.gz PCQNNRWWZOXDRR-CQSZACIVSA-N 2 0 284.363 1.715 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CC=C)C2)CC1 ZINC000999876501 742802386 /nfs/dbraw/zinc/80/23/86/742802386.db2.gz MPRGRXUPOCQDGB-UHFFFAOYSA-N 2 0 289.423 1.097 20 30 CDEDRP C=CC[N@H+]1CC[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001042092908 742827265 /nfs/dbraw/zinc/82/72/65/742827265.db2.gz KVJAJXGEBWLFME-LSDHHAIUSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000986956095 742837076 /nfs/dbraw/zinc/83/70/76/742837076.db2.gz JOXJYCBMPHDBTK-KGLIPLIRSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001088981116 912436326 /nfs/dbraw/zinc/43/63/26/912436326.db2.gz CTGTVVYALNJWHJ-ILXRZTDVSA-N 2 0 279.428 1.483 20 30 CDEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C[NH+](CC)CC ZINC001175785896 913785885 /nfs/dbraw/zinc/78/58/85/913785885.db2.gz GGTMRESLVPNBFT-HNNXBMFYSA-N 2 0 281.444 1.616 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C[NH+](CC)CC ZINC001175785883 913786052 /nfs/dbraw/zinc/78/60/52/913786052.db2.gz GEQLWMYACIJBEO-HNNXBMFYSA-N 2 0 281.444 1.616 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209323333 894600394 /nfs/dbraw/zinc/60/03/94/894600394.db2.gz HUOCULLNDRIFQW-HNNXBMFYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001167236671 894928708 /nfs/dbraw/zinc/92/87/08/894928708.db2.gz OKQSKXJUFKYXSH-ZIAGYGMSSA-N 2 0 279.428 1.246 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176285987 914018232 /nfs/dbraw/zinc/01/82/32/914018232.db2.gz SAFILAZDLOLDLK-HNNXBMFYSA-N 2 0 281.444 1.616 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106668974 914122433 /nfs/dbraw/zinc/12/24/33/914122433.db2.gz SGIQXISSLRSPSC-HUUCEWRRSA-N 2 0 293.455 1.588 20 30 CDEDRP C#CC[NH2+]CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000708591246 897860407 /nfs/dbraw/zinc/86/04/07/897860407.db2.gz PAYDWPKNVPSYGO-DOTOQJQBSA-N 2 0 299.418 1.094 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001176856323 914351288 /nfs/dbraw/zinc/35/12/88/914351288.db2.gz KCSRYXWTTZISDD-GJZGRUSLSA-N 2 0 281.444 1.921 20 30 CDEDRP N#CCc1cccc(NC(=[NH2+])NCCCC[NH3+])c1F ZINC001167879588 901616775 /nfs/dbraw/zinc/61/67/75/901616775.db2.gz XTULHNGGJHXAJN-UHFFFAOYSA-N 2 0 263.320 1.567 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177336611 914606003 /nfs/dbraw/zinc/60/60/03/914606003.db2.gz OTOHNLUSEXNLBL-UHFFFAOYSA-N 2 0 281.444 1.925 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028931906 904430836 /nfs/dbraw/zinc/43/08/36/904430836.db2.gz ZFVZZQNQUXWICB-AWEZNQCLSA-N 2 0 277.412 1.096 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1CC ZINC001087699664 905768398 /nfs/dbraw/zinc/76/83/98/905768398.db2.gz FMCLWYOOZOEXDC-YHUYYLMFSA-N 2 0 293.455 1.872 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168029486 905927064 /nfs/dbraw/zinc/92/70/64/905927064.db2.gz GMNVVJIZNUCQRT-HUUCEWRRSA-N 2 0 277.412 1.123 20 30 CDEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088562561 907930884 /nfs/dbraw/zinc/93/08/84/907930884.db2.gz CHFLVQSWUANPGA-OWCLPIDISA-N 2 0 291.439 1.462 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC=C)C[C@@H]2C)CC1 ZINC000989828705 909017358 /nfs/dbraw/zinc/01/73/58/909017358.db2.gz HTVRVFFDROSBMD-HOCLYGCPSA-N 2 0 289.423 1.097 20 30 CDEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001092621067 909479933 /nfs/dbraw/zinc/47/99/33/909479933.db2.gz NMBYURWFBBZMOQ-KLHDSHLOSA-N 2 0 291.439 1.034 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153266 910303120 /nfs/dbraw/zinc/30/31/20/910303120.db2.gz PRMBAJZNZYGLBA-PMPSAXMXSA-N 2 0 291.439 1.770 20 30 CDEDRP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153554 910307098 /nfs/dbraw/zinc/30/70/98/910307098.db2.gz ZTOJYKVQIARRDG-PMPSAXMXSA-N 2 0 289.423 1.217 20 30 CDEDRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@H](C)CCCC#N)O1 ZINC001172485125 911687433 /nfs/dbraw/zinc/68/74/33/911687433.db2.gz MEOLVJXLRUVAKR-AAVRWANBSA-N 2 0 269.389 1.383 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001189913755 921720848 /nfs/dbraw/zinc/72/08/48/921720848.db2.gz ZQSFENRNXHAEPC-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001178045060 915118561 /nfs/dbraw/zinc/11/85/61/915118561.db2.gz BKMVPBQHHLYJTG-OAHLLOKOSA-N 2 0 279.428 1.370 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1C ZINC001178813825 915632337 /nfs/dbraw/zinc/63/23/37/915632337.db2.gz KMNZRAHCHVWLNW-KKUMJFAQSA-N 2 0 297.418 1.269 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C ZINC001180369768 916321572 /nfs/dbraw/zinc/32/15/72/916321572.db2.gz WMHVXHQGXZFDSV-UHFFFAOYSA-N 2 0 269.433 1.779 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001097846848 936394539 /nfs/dbraw/zinc/39/45/39/936394539.db2.gz NUGMZRCDJNNVJB-TUVASFSCSA-N 2 0 277.412 1.378 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001181727917 917306064 /nfs/dbraw/zinc/30/60/64/917306064.db2.gz GFFYORPOOJLXDY-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001181930784 917478150 /nfs/dbraw/zinc/47/81/50/917478150.db2.gz HFLHUPDRDMJNSM-HLLBOEOZSA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)Cc2ncc[nH]2)C[C@H]1C ZINC001182996811 918249492 /nfs/dbraw/zinc/24/94/92/918249492.db2.gz HILFMUMHJBBPDM-CZUORRHYSA-N 2 0 288.395 1.050 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996609983 918330612 /nfs/dbraw/zinc/33/06/12/918330612.db2.gz IVMAVCOGSRAEGI-QWHCGFSZSA-N 2 0 299.846 1.517 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001183576484 918546442 /nfs/dbraw/zinc/54/64/42/918546442.db2.gz OWSTXUXHXMRCSC-OAHLLOKOSA-N 2 0 291.439 1.629 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001183772799 918663185 /nfs/dbraw/zinc/66/31/85/918663185.db2.gz LDKVRRWVJUVYHM-GFCCVEGCSA-N 2 0 287.835 1.660 20 30 CDEDRP C=CCOc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001205210563 918953616 /nfs/dbraw/zinc/95/36/16/918953616.db2.gz PYKOWYSQTHXIAE-QGZVFWFLSA-N 2 0 290.407 1.927 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001202862489 936564107 /nfs/dbraw/zinc/56/41/07/936564107.db2.gz CCYKQKHBEPRJAJ-ZDUSSCGKSA-N 2 0 288.395 1.192 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001184578197 919196389 /nfs/dbraw/zinc/19/63/89/919196389.db2.gz SGHQJDJJXTYNLJ-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001185029379 919387307 /nfs/dbraw/zinc/38/73/07/919387307.db2.gz HJGFLBAIMBQJCV-CABCVRRESA-N 2 0 279.428 1.036 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001185091489 919399404 /nfs/dbraw/zinc/39/94/04/919399404.db2.gz WJZWKUSGQFKUQZ-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001185536737 919664866 /nfs/dbraw/zinc/66/48/66/919664866.db2.gz OXWJNBWNZAYENJ-CABCVRRESA-N 2 0 281.444 1.588 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001185751021 919755177 /nfs/dbraw/zinc/75/51/77/919755177.db2.gz NOHPEOKZQLTCQP-JKSUJKDBSA-N 2 0 295.471 1.977 20 30 CDEDRP C#CCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273542744 920569499 /nfs/dbraw/zinc/56/94/99/920569499.db2.gz ZMKDHHIYCZHFNJ-HUUCEWRRSA-N 2 0 277.412 1.027 20 30 CDEDRP C=CCOCC[NH2+]C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001203009960 936684372 /nfs/dbraw/zinc/68/43/72/936684372.db2.gz CVEOJSREQCIVRC-UHFFFAOYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190444623 921997520 /nfs/dbraw/zinc/99/75/20/921997520.db2.gz RPXCPLVLMNMVIR-ZIAGYGMSSA-N 2 0 285.407 1.385 20 30 CDEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190744620 922170297 /nfs/dbraw/zinc/17/02/97/922170297.db2.gz SWVOWEHWOFSVFK-JKSUJKDBSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cc[nH]c2)CC1 ZINC001140710716 936744686 /nfs/dbraw/zinc/74/46/86/936744686.db2.gz SEMMSQVMPJPBRJ-UHFFFAOYSA-N 2 0 288.439 1.806 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045240 922892605 /nfs/dbraw/zinc/89/26/05/922892605.db2.gz AULJEECOHIAMAM-HNNXBMFYSA-N 2 0 281.444 1.827 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169602 922931174 /nfs/dbraw/zinc/93/11/74/922931174.db2.gz BDLCWVPBXVHFQX-CYBMUJFWSA-N 2 0 253.390 1.047 20 30 CDEDRP C=CCCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001192353849 923026716 /nfs/dbraw/zinc/02/67/16/923026716.db2.gz INFZAIMHPODGBA-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCN1CC[C@@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001273143766 923224612 /nfs/dbraw/zinc/22/46/12/923224612.db2.gz KWXZSKFELBAPGD-DOTOQJQBSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192960776 923340222 /nfs/dbraw/zinc/34/02/22/923340222.db2.gz UMTNWMRBICUFNK-ZDUSSCGKSA-N 2 0 253.390 1.047 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001084738008 925389149 /nfs/dbraw/zinc/38/91/49/925389149.db2.gz LRMPEQDXKBZSEP-HZPDHXFCSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102287347 937050713 /nfs/dbraw/zinc/05/07/13/937050713.db2.gz ZWIKHWVGQDQPQI-ZIAGYGMSSA-N 2 0 279.428 1.198 20 30 CDEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102513902 937062194 /nfs/dbraw/zinc/06/21/94/937062194.db2.gz FVEGCWFTNCFQJO-OWCLPIDISA-N 2 0 291.439 1.036 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCCO1 ZINC001201809080 926407815 /nfs/dbraw/zinc/40/78/15/926407815.db2.gz KDCWCWXPFSXMSN-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001103443967 937141991 /nfs/dbraw/zinc/14/19/91/937141991.db2.gz URYFPIBAFOOKBI-OAGGEKHMSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001086500160 927218268 /nfs/dbraw/zinc/21/82/68/927218268.db2.gz OSZWRIPNXZTARJ-FPCVCCKLSA-N 2 0 291.439 1.674 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001086500163 927218328 /nfs/dbraw/zinc/21/83/28/927218328.db2.gz OSZWRIPNXZTARJ-YHUYYLMFSA-N 2 0 291.439 1.674 20 30 CDEDRP C=C(C)C(=O)NCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169089924 927712999 /nfs/dbraw/zinc/71/29/99/927712999.db2.gz GTQDGDDRAGTSQR-BTTYYORXSA-N 2 0 265.401 1.284 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001169939986 928531845 /nfs/dbraw/zinc/53/18/45/928531845.db2.gz CVFIZSHVMAKSKP-UHFFFAOYSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+](C)C)C2 ZINC001108801071 928638126 /nfs/dbraw/zinc/63/81/26/928638126.db2.gz RUXJBNVWCSRMQN-XHSDSOJGSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001252486845 928660727 /nfs/dbraw/zinc/66/07/27/928660727.db2.gz JBSIBAMJFCPVLU-CABCVRRESA-N 2 0 272.433 1.650 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001086533236 929095996 /nfs/dbraw/zinc/09/59/96/929095996.db2.gz BZRCPSVQBZETGY-YHUYYLMFSA-N 2 0 291.439 1.224 20 30 CDEDRP C=CC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134759593 929887784 /nfs/dbraw/zinc/88/77/84/929887784.db2.gz UPFDDVIJDIRSOV-CYBMUJFWSA-N 2 0 253.390 1.141 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135475983 930226808 /nfs/dbraw/zinc/22/68/08/930226808.db2.gz HOCNGZAOCCVQOI-HUUCEWRRSA-N 2 0 293.455 1.615 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135688275 930361938 /nfs/dbraw/zinc/36/19/38/930361938.db2.gz JWNSTSKXVOIFIY-OAHLLOKOSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)C[NH+](CC)CC)CCCCC1 ZINC001115777318 937418998 /nfs/dbraw/zinc/41/89/98/937418998.db2.gz QRMRANLDVOACGA-UHFFFAOYSA-N 2 0 281.444 1.923 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135788931 930421095 /nfs/dbraw/zinc/42/10/95/930421095.db2.gz MYTDXMCVTYYVNQ-CVEARBPZSA-N 2 0 293.455 1.615 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001135804808 930433738 /nfs/dbraw/zinc/43/37/38/930433738.db2.gz PMNZUZCXOXYGLM-KBPBESRZSA-N 2 0 297.443 1.156 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135961388 930577986 /nfs/dbraw/zinc/57/79/86/930577986.db2.gz POUJOMZPIBNOFX-KGLIPLIRSA-N 2 0 267.417 1.224 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135974278 930585736 /nfs/dbraw/zinc/58/57/36/930585736.db2.gz MABWDWPEOADSOC-ZIAGYGMSSA-N 2 0 269.433 1.777 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135976780 930587522 /nfs/dbraw/zinc/58/75/22/930587522.db2.gz NQADSGCXBHFJFK-QWHCGFSZSA-N 2 0 255.406 1.387 20 30 CDEDRP N#Cc1cc(F)c(Cl)nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159779286 930834242 /nfs/dbraw/zinc/83/42/42/930834242.db2.gz DQQUFGRCHCYHEQ-MRVPVSSYSA-N 2 0 257.700 1.181 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001143360253 931508791 /nfs/dbraw/zinc/50/87/91/931508791.db2.gz FUNHTLFBPBTNLC-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154159258 937511521 /nfs/dbraw/zinc/51/15/21/937511521.db2.gz YGBWIWXZPINXLP-CQSZACIVSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171160256 931754469 /nfs/dbraw/zinc/75/44/69/931754469.db2.gz DOABQWQYMIZJKK-GJZGRUSLSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001147225283 932453839 /nfs/dbraw/zinc/45/38/39/932453839.db2.gz HQBBBSKDDZOTRF-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001095438090 932477215 /nfs/dbraw/zinc/47/72/15/932477215.db2.gz YRCQHFHEVNZYEU-ZSAUSMIDSA-N 2 0 277.412 1.234 20 30 CDEDRP C=CCOc1ccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cc1 ZINC001148467855 932713184 /nfs/dbraw/zinc/71/31/84/932713184.db2.gz CRJIILTUXMPMKI-UHFFFAOYSA-N 2 0 290.367 1.326 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001091740868 932763932 /nfs/dbraw/zinc/76/39/32/932763932.db2.gz NAPHTHUZBOODPU-PBHICJAKSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092275233 932931104 /nfs/dbraw/zinc/93/11/04/932931104.db2.gz UTQDVEPJEIVLHT-WBVHZDCISA-N 2 0 291.439 1.439 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120423925 937798793 /nfs/dbraw/zinc/79/87/93/937798793.db2.gz XVVLHHLFTFBWJD-HZPDHXFCSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001095965546 935848259 /nfs/dbraw/zinc/84/82/59/935848259.db2.gz UDNRJUDMNQUZIW-PMPSAXMXSA-N 2 0 289.423 1.073 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001121234378 937863044 /nfs/dbraw/zinc/86/30/44/937863044.db2.gz ZJRQLORFRUQLCO-UHFFFAOYSA-N 2 0 291.439 1.674 20 30 CDEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890566 938428995 /nfs/dbraw/zinc/42/89/95/938428995.db2.gz OZTGRWTXGZKXJP-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158379983 938617184 /nfs/dbraw/zinc/61/71/84/938617184.db2.gz IZEYISNGTKFLHL-ZIAGYGMSSA-N 2 0 267.417 1.389 20 30 CDEDRP N#Cc1c(Nc2ccc(C[NH3+])nc2)ncc2c1CCC[NH2+]C2 ZINC001160397609 938784119 /nfs/dbraw/zinc/78/41/19/938784119.db2.gz WYLYHAPWPQROJE-UHFFFAOYSA-N 2 0 294.362 1.586 20 30 CDEDRP N#Cc1cnc2cc[nH]c(N[C@]3(C[NH3+])C[NH+]4CCC3CC4)c1-2 ZINC001160512952 938793279 /nfs/dbraw/zinc/79/32/79/938793279.db2.gz HBJMOHFZSZZPQE-MRXNPFEDSA-N 2 0 296.378 1.270 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H]1CNc1ccc2c(n1)CC[NH2+]C2 ZINC001160953267 938848994 /nfs/dbraw/zinc/84/89/94/938848994.db2.gz ZUEZDQQVXWHNGJ-AWEZNQCLSA-N 2 0 272.396 1.790 20 30 CDEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001161870077 938937892 /nfs/dbraw/zinc/93/78/92/938937892.db2.gz URWMSJMQQRJPFS-MRXNPFEDSA-N 2 0 289.423 1.100 20 30 CDEDRP N#Cc1c(Cl)ncnc1NCCC[NH2+]CCCC[NH3+] ZINC001162290122 938971887 /nfs/dbraw/zinc/97/18/87/938971887.db2.gz JYJCRVFBWKIPOX-UHFFFAOYSA-N 2 0 282.779 1.132 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165263476 939536771 /nfs/dbraw/zinc/53/67/71/939536771.db2.gz REFZQODTWNRRPR-UHFFFAOYSA-N 2 0 267.417 1.390 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001166869717 939645929 /nfs/dbraw/zinc/64/59/29/939645929.db2.gz HSSFOKPXWLDFPV-UHFFFAOYSA-N 2 0 293.455 1.780 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203622426 939697278 /nfs/dbraw/zinc/69/72/78/939697278.db2.gz ASGQRQQLXYVPHY-LSDHHAIUSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCOC(=O)N1CCC2(CCN(C[C@H](C)[NH3+])CC2)CC1 ZINC001204847947 939798750 /nfs/dbraw/zinc/79/87/50/939798750.db2.gz IHLCXNLMWKGCIZ-AWEZNQCLSA-N 2 0 295.427 1.834 20 30 CDEDRP N#Cc1c(F)cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1F ZINC001205230283 939839457 /nfs/dbraw/zinc/83/94/57/939839457.db2.gz RVXUDOPFAKSFCW-OAHLLOKOSA-N 2 0 295.333 1.512 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001205483780 939892526 /nfs/dbraw/zinc/89/25/26/939892526.db2.gz RIIFCSJYXIYNTG-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP Cc1ccc(CN2CCCC[C@@](O)(C[NH3+])C2)c(C#N)c1 ZINC001205690898 939921730 /nfs/dbraw/zinc/92/17/30/939921730.db2.gz YRMMBHIEUAPJBK-MRXNPFEDSA-N 2 0 273.380 1.542 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206872651 940105252 /nfs/dbraw/zinc/10/52/52/940105252.db2.gz OANHWVJPZGOCFS-MRXNPFEDSA-N 2 0 291.439 1.180 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001206951214 940116641 /nfs/dbraw/zinc/11/66/41/940116641.db2.gz FCBOJGNRWBZYSE-UHFFFAOYSA-N 2 0 291.439 1.324 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001206952253 940117305 /nfs/dbraw/zinc/11/73/05/940117305.db2.gz GRYBULPDIHTHSH-UHFFFAOYSA-N 2 0 267.417 1.341 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208013705 940279176 /nfs/dbraw/zinc/27/91/76/940279176.db2.gz JJWBRDOVFXUPQE-HOTGVXAUSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CCCCC[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001209204860 940447471 /nfs/dbraw/zinc/44/74/71/940447471.db2.gz KQYLOPUQSUKOLI-UHFFFAOYSA-N 2 0 267.417 1.439 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209454943 940591831 /nfs/dbraw/zinc/59/18/31/940591831.db2.gz PLIOAGKOUKGSJT-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211239632 940740307 /nfs/dbraw/zinc/74/03/07/940740307.db2.gz AMYRRTDFUIYKNN-INIZCTEOSA-N 2 0 291.439 1.466 20 30 CDEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211282849 940745775 /nfs/dbraw/zinc/74/57/75/940745775.db2.gz DGVSXWZNQYTKBU-OAHLLOKOSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214889394 940843567 /nfs/dbraw/zinc/84/35/67/940843567.db2.gz KSNUKTSNKOKSIK-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000402251061 940892353 /nfs/dbraw/zinc/89/23/53/940892353.db2.gz IVULWNYLKSKMCA-APHBMKBZSA-N 2 0 273.380 1.651 20 30 CDEDRP N#Cc1cccc(NC(=O)NCCC[NH2+]CCC[NH3+])c1 ZINC001239252458 945365017 /nfs/dbraw/zinc/36/50/17/945365017.db2.gz DLTGOFIRGRZXKI-UHFFFAOYSA-N 2 0 275.356 1.008 20 30 CDEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1c(C#N)ccc(F)c1F ZINC001219314393 941329639 /nfs/dbraw/zinc/32/96/39/941329639.db2.gz HEAOFJCJOIRTGC-NSHDSACASA-N 2 0 296.321 1.492 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219640628 941367930 /nfs/dbraw/zinc/36/79/30/941367930.db2.gz BATKDBSVIIMIAQ-KFWWJZLASA-N 2 0 281.444 1.812 20 30 CDEDRP C#CC[C@]1(C(=O)N[C@@H]2CC[NH2+][C@H]2c2ccccc2)CCC[NH2+]1 ZINC001219818981 941389142 /nfs/dbraw/zinc/38/91/42/941389142.db2.gz WLCKWTNMGQSBOG-SOLBZPMBSA-N 2 0 297.402 1.351 20 30 CDEDRP N#Cc1cccc2c1CC[C@H]2NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220596945 941457167 /nfs/dbraw/zinc/45/71/67/941457167.db2.gz OQUYFLVDHKEXCA-LSDHHAIUSA-N 2 0 286.379 1.118 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC001220868333 941478948 /nfs/dbraw/zinc/47/89/48/941478948.db2.gz GOEFHLYUSMPPRO-HZSPNIEDSA-N 2 0 265.401 1.141 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)N[C@H](C[NH3+])c2cccc(OC)c2)C1 ZINC001221405708 941531202 /nfs/dbraw/zinc/53/12/02/941531202.db2.gz VORDWRFKJSGAIN-ZBFHGGJFSA-N 2 0 289.379 1.119 20 30 CDEDRP Cc1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c(C#N)c1 ZINC001222099806 941564841 /nfs/dbraw/zinc/56/48/41/941564841.db2.gz LLGFOUBRHCANMP-UHFFFAOYSA-N 2 0 284.407 1.394 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001223597873 941687588 /nfs/dbraw/zinc/68/75/88/941687588.db2.gz PRSJSFOFVIQOGE-OAHLLOKOSA-N 2 0 281.444 1.731 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001227907568 942242961 /nfs/dbraw/zinc/24/29/61/942242961.db2.gz FEHIFBNMJHTWTE-HNNXBMFYSA-N 2 0 279.428 1.177 20 30 CDEDRP C=CCOCC[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001227986753 942252342 /nfs/dbraw/zinc/25/23/42/942252342.db2.gz MDUZVVWDRKRGCV-OAHLLOKOSA-N 2 0 297.443 1.110 20 30 CDEDRP C#CCOc1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1 ZINC001235996006 944362741 /nfs/dbraw/zinc/36/27/41/944362741.db2.gz WVSRVAPZKLBHFO-FKEKPDDDSA-N 2 0 286.375 1.104 20 30 CDEDRP CCCCCCCN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236308956 944462425 /nfs/dbraw/zinc/46/24/25/944462425.db2.gz KALWJXYJKDMZLU-UHFFFAOYSA-N 2 0 286.464 1.073 20 30 CDEDRP N#Cc1ccnc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236322512 944471083 /nfs/dbraw/zinc/47/10/83/944471083.db2.gz ZTFHRSBZQZCAAP-OKILXGFUSA-N 2 0 256.353 1.385 20 30 CDEDRP N#Cc1ccc([O-])c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237414579 944764276 /nfs/dbraw/zinc/76/42/76/944764276.db2.gz LPZNAOYVCLHXAJ-DZGCQCFKSA-N 2 0 271.364 1.838 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001258735403 945396828 /nfs/dbraw/zinc/39/68/28/945396828.db2.gz TWRRUJBDKWRJFF-OAHLLOKOSA-N 2 0 253.434 1.910 20 30 CDEDRP C=C[C@@](C)(O)C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001246031453 947909148 /nfs/dbraw/zinc/90/91/48/947909148.db2.gz IJIVWUHGBNYMKD-LSDHHAIUSA-N 2 0 252.402 1.778 20 30 CDEDRP CCCCCCCC[C@H](O)C[N@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246036903 947913160 /nfs/dbraw/zinc/91/31/60/947913160.db2.gz ZTDXLYZJYFZTBL-BYNSBNAKSA-N 2 0 254.418 1.987 20 30 CDEDRP N#Cc1ccc(C(=[NH2+])NC2CC[NH+](C3CC3)CC2)cc1 ZINC001256066951 948191300 /nfs/dbraw/zinc/19/13/00/948191300.db2.gz ANJDBTIYVYPUCJ-UHFFFAOYSA-N 2 0 268.364 1.890 20 30 CDEDRP SCCCCCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246470870 948192379 /nfs/dbraw/zinc/19/23/79/948192379.db2.gz SNIWNGDVUAYMGE-LBPRGKRZSA-N 2 0 257.447 1.160 20 30 CDEDRP C[C@]1(C[NH3+])CCCC[N@@H+]([C@@H]2CCN[C@H](C#N)C2)C1 ZINC001246597679 948335099 /nfs/dbraw/zinc/33/50/99/948335099.db2.gz YHXZREZEVRPNEB-BFHYXJOUSA-N 2 0 250.390 1.081 20 30 CDEDRP C=CCOCc1nn([C@H]2CCC[NH2+]C2)c2c1C[NH2+]C2 ZINC001246703902 948410341 /nfs/dbraw/zinc/41/03/41/948410341.db2.gz SHLBLMFDHJZEAO-NSHDSACASA-N 2 0 262.357 1.113 20 30 CDEDRP CCOC(=O)[C@]12C[N@@H+]([C@H](C)CCCC#N)C[C@H]1C[NH2+]CC2 ZINC001246854780 948480697 /nfs/dbraw/zinc/48/06/97/948480697.db2.gz HAJTVBMWQNFWTB-IIAWOOMASA-N 2 0 293.411 1.543 20 30 CDEDRP CCOC(=O)[C@]12C[N@@H+]([C@H]3CC[C@@H](C#N)C3)C[C@H]1C[NH2+]CC2 ZINC001246861404 948487002 /nfs/dbraw/zinc/48/70/02/948487002.db2.gz YEXAQOUXMXMVBG-HGTKMLMNSA-N 2 0 291.395 1.153 20 30 CDEDRP N#CCC1CCC([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CC1 ZINC001246863992 948489734 /nfs/dbraw/zinc/48/97/34/948489734.db2.gz ZVXWYJGBVAQGOI-OTHKPKEBSA-N 2 0 263.385 1.364 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001252490569 951360517 /nfs/dbraw/zinc/36/05/17/951360517.db2.gz JJIIZEMCDAJDEE-XQLPTFJDSA-N 2 0 268.401 1.155 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001252603164 951496353 /nfs/dbraw/zinc/49/63/53/951496353.db2.gz NGIWPCXDCYITQO-INIZCTEOSA-N 2 0 281.444 1.027 20 30 CDEDRP C#CC[NH+](CC#C)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254042687 952173795 /nfs/dbraw/zinc/17/37/95/952173795.db2.gz VWPCXWOPPCXRLV-UHFFFAOYSA-N 2 0 296.414 1.582 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001317183730 955471240 /nfs/dbraw/zinc/47/12/40/955471240.db2.gz IPOHMPAVNQGVSV-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001330069594 956263029 /nfs/dbraw/zinc/26/30/29/956263029.db2.gz HCQJVPPDHYSALD-JSGCOSHPSA-N 2 0 267.417 1.195 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001340788074 963126701 /nfs/dbraw/zinc/12/67/01/963126701.db2.gz CLZLTSHHZLOUDI-AWEZNQCLSA-N 2 0 265.401 1.413 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC001340853548 963156491 /nfs/dbraw/zinc/15/64/91/963156491.db2.gz NKVILBHVFVBVNQ-KGLIPLIRSA-N 2 0 267.417 1.661 20 30 CDEDRP C#CCOCC[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC001341257015 963340279 /nfs/dbraw/zinc/34/02/79/963340279.db2.gz JESWYPBLIJHXHZ-UHFFFAOYSA-N 2 0 269.348 1.954 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C1([NH2+]C)CCC1)C(C)C ZINC001341555973 963462558 /nfs/dbraw/zinc/46/25/58/963462558.db2.gz QJMVKSXRNRROFM-OAHLLOKOSA-N 2 0 293.455 1.943 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC001341601137 963478518 /nfs/dbraw/zinc/47/85/18/963478518.db2.gz VBBVPDCIGYGCQQ-ZDUSSCGKSA-N 2 0 285.351 1.889 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC001342144813 963654823 /nfs/dbraw/zinc/65/48/23/963654823.db2.gz MWNVQOURWRKAHS-GJZGRUSLSA-N 2 0 281.444 1.907 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001200651542 968697116 /nfs/dbraw/zinc/69/71/16/968697116.db2.gz AAKYXYCHGILXHB-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)C[N@H+](C)C1CCC1 ZINC001373757738 973623802 /nfs/dbraw/zinc/62/38/02/973623802.db2.gz IBYYLSNNRGBCTC-GFCCVEGCSA-N 2 0 287.835 1.708 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132250157 1163213173 /nfs/dbraw/zinc/21/31/73/1163213173.db2.gz XRLZYXXLRWZXCP-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132518698 1163338491 /nfs/dbraw/zinc/33/84/91/1163338491.db2.gz MVZFFCMLPUFSNO-HUUCEWRRSA-N 2 0 281.444 1.872 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040482 1163541252 /nfs/dbraw/zinc/54/12/52/1163541252.db2.gz SRHZRYYLASVROS-ZDUSSCGKSA-N 2 0 255.406 1.389 20 30 CDEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001133064352 1163554870 /nfs/dbraw/zinc/55/48/70/1163554870.db2.gz MGPLSIQBKPONTF-CABCVRRESA-N 2 0 291.439 1.036 20 30 CDEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001133083091 1163562370 /nfs/dbraw/zinc/56/23/70/1163562370.db2.gz IGJZCMNHKRSSKI-HOCLYGCPSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001133191663 1163602720 /nfs/dbraw/zinc/60/27/20/1163602720.db2.gz RFBUUDYBFCSMSC-LSDHHAIUSA-N 2 0 279.428 1.036 20 30 CDEDRP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@H](O)c1cccc(C#N)c1 ZINC001576481883 1171435250 /nfs/dbraw/zinc/43/52/50/1171435250.db2.gz GLZXNEJISVPVMF-LSDHHAIUSA-N 2 0 273.380 1.569 20 30 CDEDRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](C)CCC#N)C2)CC1 ZINC000585726718 342453899 /nfs/dbraw/zinc/45/38/99/342453899.db2.gz BSJRVOYPKAOLJM-HOTGVXAUSA-N 2 0 278.444 1.638 20 30 CDEDRP C[N@@H+]1CCN(CC[NH2+]C[C@@H](C#N)CCC#N)CC1(C)C ZINC000591765354 342645803 /nfs/dbraw/zinc/64/58/03/342645803.db2.gz VXVHGOIBUBQRDR-CQSZACIVSA-N 2 0 277.416 1.046 20 30 CDEDRP N#CC1CCC(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000600736973 342246418 /nfs/dbraw/zinc/24/64/18/342246418.db2.gz UESPOTHMYRXZIY-YMAMQOFZSA-N 2 0 265.401 1.363 20 30 CDEDRP C=CCCSCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000596649242 343370609 /nfs/dbraw/zinc/37/06/09/343370609.db2.gz DDJASXGSODDFRI-FRRDWIJNSA-N 2 0 258.431 1.638 20 30 CDEDRP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000600768894 349878784 /nfs/dbraw/zinc/87/87/84/349878784.db2.gz HQFFBJQXVKRWLA-CHWSQXEVSA-N 2 0 259.353 1.973 20 30 CDEDRP Cc1cc(C[NH2+]CCCN(C)CC[NH+](C)C)ccc1C#N ZINC000598918725 343926573 /nfs/dbraw/zinc/92/65/73/343926573.db2.gz XGFQFCNMEPMYQV-UHFFFAOYSA-N 2 0 288.439 1.840 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccccc1 ZINC000264055062 362953984 /nfs/dbraw/zinc/95/39/84/362953984.db2.gz AJCAFIADKBEILZ-OAHLLOKOSA-N 2 0 274.412 1.618 20 30 CDEDRP CC[N@@H+]1CCCC[C@@H]1CNC(NCc1ccco1)=[NH+]C ZINC000264847512 363168990 /nfs/dbraw/zinc/16/89/90/363168990.db2.gz NTVLEKGBMXYTFJ-CYBMUJFWSA-N 2 0 278.400 1.819 20 30 CDEDRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000271859922 191374517 /nfs/dbraw/zinc/37/45/17/191374517.db2.gz KCYUYKVOIZZMDF-CYBMUJFWSA-N 2 0 273.380 1.666 20 30 CDEDRP C[C@H](CNC(=[NH2+])Nc1ccccn1)C[NH+]1CCCC1 ZINC000170906940 365159706 /nfs/dbraw/zinc/15/97/06/365159706.db2.gz PYSOYBXWTCZODB-GFCCVEGCSA-N 2 0 261.373 1.540 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC[C@@H]1CCC[N@@H+]1C ZINC000171411715 365275560 /nfs/dbraw/zinc/27/55/60/365275560.db2.gz DKXRJUQMVFRNAA-NSHDSACASA-N 2 0 250.346 1.039 20 30 CDEDRP N#CCC[C@@H](C#N)C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000582421096 370617747 /nfs/dbraw/zinc/61/77/47/370617747.db2.gz WNIFMGJKNJYGDI-LSDHHAIUSA-N 2 0 278.400 1.256 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001661650739 1172422262 /nfs/dbraw/zinc/42/22/62/1172422262.db2.gz WYKRJRMTMOHXKV-HZSPNIEDSA-N 2 0 267.417 1.386 20 30 CDEDRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000423205371 374371884 /nfs/dbraw/zinc/37/18/84/374371884.db2.gz PJVPLCOZKHZXLI-ZDUSSCGKSA-N 2 0 258.369 1.114 20 30 CDEDRP Cn1cc(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1C#N ZINC000276984125 374764646 /nfs/dbraw/zinc/76/46/46/374764646.db2.gz UFWSRZJDSRSHBW-LSDHHAIUSA-N 2 0 258.369 1.613 20 30 CDEDRP CN(C(=[NH2+])NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000195290670 375999735 /nfs/dbraw/zinc/99/97/35/375999735.db2.gz WZKMLDSZOUUKOF-OAHLLOKOSA-N 2 0 286.423 1.917 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247924687 377183554 /nfs/dbraw/zinc/18/35/54/377183554.db2.gz BLYGZXCEBIXAGW-QLFBSQMISA-N 2 0 252.402 1.730 20 30 CDEDRP C=C[C@@H](CO)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000289995667 378357905 /nfs/dbraw/zinc/35/79/05/378357905.db2.gz YUGNFAVVXBPBOQ-HIFRSBDPSA-N 2 0 278.396 1.825 20 30 CDEDRP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001662829347 1172601488 /nfs/dbraw/zinc/60/14/88/1172601488.db2.gz YJSFLVFTLIJBBA-HUUCEWRRSA-N 2 0 277.412 1.027 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC[C@@H](CC(C)C)[NH+](C)C ZINC000103338381 390476498 /nfs/dbraw/zinc/47/64/98/390476498.db2.gz ROQHSQGAZZNFTN-CYBMUJFWSA-N 2 0 280.416 1.921 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000267417912 391193630 /nfs/dbraw/zinc/19/36/30/391193630.db2.gz JSGRZIAVQMCINO-UHFFFAOYSA-N 2 0 278.375 1.868 20 30 CDEDRP CC[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)[NH+](C)C ZINC000413229729 391719960 /nfs/dbraw/zinc/71/99/60/391719960.db2.gz KOXIFEYVBIPUBE-CYBMUJFWSA-N 2 0 268.405 1.021 20 30 CDEDRP C=CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(CC)CC2)C1 ZINC000661379524 414033559 /nfs/dbraw/zinc/03/35/59/414033559.db2.gz ZCIKTYFWYNVYNP-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP COCC1(C#N)CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000341992830 263382381 /nfs/dbraw/zinc/38/23/81/263382381.db2.gz PYNWODHDBBTPNA-CQSZACIVSA-N 2 0 265.401 1.723 20 30 CDEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCCC#N ZINC000371292626 267383220 /nfs/dbraw/zinc/38/32/20/267383220.db2.gz CNODBCWMKXTDEZ-RBSFLKMASA-N 2 0 265.401 1.864 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1F ZINC000264147338 328157669 /nfs/dbraw/zinc/15/76/69/328157669.db2.gz YHZSQAFPERRQKU-CYBMUJFWSA-N 2 0 278.375 1.714 20 30 CDEDRP CC(C)(CNC(=[NH2+])NC1CCCC1)C[NH+]1CCCC1 ZINC000262377315 330011532 /nfs/dbraw/zinc/01/15/32/330011532.db2.gz KYOVHISZGCIBDE-UHFFFAOYSA-N 2 0 266.433 1.955 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC1(C)C ZINC000262398713 330012537 /nfs/dbraw/zinc/01/25/37/330012537.db2.gz NGSUTWYEEVRSGU-NWDGAFQWSA-N 2 0 252.406 1.421 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[C@H](C)C1 ZINC000262486496 330016942 /nfs/dbraw/zinc/01/69/42/330016942.db2.gz SRZFQZDUAVSFQW-MELADBBJSA-N 2 0 266.433 1.811 20 30 CDEDRP C[C@H]1C[NH+]=C(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)N1 ZINC000262682524 330026732 /nfs/dbraw/zinc/02/67/32/330026732.db2.gz WWGKYJQJQJWEFU-JSGCOSHPSA-N 2 0 264.417 1.721 20 30 CDEDRP C[NH+]=C(NCC1CC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262702938 330027966 /nfs/dbraw/zinc/02/79/66/330027966.db2.gz BCGHHHNANGHCHU-LBPRGKRZSA-N 2 0 250.390 1.046 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCC[N@@H+]1CCCC(C)(C)C1 ZINC000263010337 330038601 /nfs/dbraw/zinc/03/86/01/330038601.db2.gz YNMWTWXPYVRVBI-UHFFFAOYSA-N 2 0 252.406 1.589 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000263154253 330046402 /nfs/dbraw/zinc/04/64/02/330046402.db2.gz MOAGURMEFUTSTE-DGAVXFQQSA-N 2 0 296.459 1.435 20 30 CDEDRP C=CCN1CCC([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422857959 330157754 /nfs/dbraw/zinc/15/77/54/330157754.db2.gz HUWMJQXIQMDZGK-HIFRSBDPSA-N 2 0 251.418 1.615 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]([NH3+])C1CCC1)C(C)C ZINC000423325223 330195708 /nfs/dbraw/zinc/19/57/08/330195708.db2.gz BOZSEKZUFCMGDW-HZPDHXFCSA-N 2 0 293.455 1.929 20 30 CDEDRP COCC1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC[NH2+]CC1 ZINC000423402315 330196485 /nfs/dbraw/zinc/19/64/85/330196485.db2.gz HAYRWURIIMEXGO-UONOGXRCSA-N 2 0 265.401 1.675 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000424078850 330221347 /nfs/dbraw/zinc/22/13/47/330221347.db2.gz QKQPQSKBSRMELT-STQMWFEESA-N 2 0 266.389 1.031 20 30 CDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000424385947 330349541 /nfs/dbraw/zinc/34/95/41/330349541.db2.gz WZNZGXAFTHNHET-NPJQDHAYSA-N 2 0 280.412 1.324 20 30 CDEDRP C#CCNC(=O)CC[NH2+]C[C@@H](C)N(C)Cc1ccccc1 ZINC000491485639 332220353 /nfs/dbraw/zinc/22/03/53/332220353.db2.gz PUFSKRLUVKXIBF-OAHLLOKOSA-N 2 0 287.407 1.236 20 30 CDEDRP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001754806956 1159461790 /nfs/dbraw/zinc/46/17/90/1159461790.db2.gz JTFQHKXFNIJPBS-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP CCC#C[C@@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000677215256 482585723 /nfs/dbraw/zinc/58/57/23/482585723.db2.gz BRBAXHZKABVKHL-OAHLLOKOSA-N 2 0 253.434 1.604 20 30 CDEDRP CC[C@@H](CNC(=[NH2+])N1CCC(C)CC1)[NH+]1CCCC1 ZINC000303373949 483143886 /nfs/dbraw/zinc/14/38/86/483143886.db2.gz MXYVYNVQMHPXAI-AWEZNQCLSA-N 2 0 266.433 1.907 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127321978 1161144743 /nfs/dbraw/zinc/14/47/43/1161144743.db2.gz IVNAXCOLVMBVLP-UHFFFAOYSA-N 2 0 267.417 1.533 20 30 CDEDRP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001753614951 1185269305 /nfs/dbraw/zinc/26/93/05/1185269305.db2.gz WMJAJGXHGYKPSZ-SOUVJXGZSA-N 2 0 279.428 1.082 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H](C)[NH+](C)C)C(C)C ZINC000078741511 538395120 /nfs/dbraw/zinc/39/51/20/538395120.db2.gz IGGGVNHHAIZESM-GJZGRUSLSA-N 2 0 281.444 1.751 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000305085723 538470106 /nfs/dbraw/zinc/47/01/06/538470106.db2.gz NVMFKXCYTSTMLY-OAHLLOKOSA-N 2 0 261.369 1.531 20 30 CDEDRP C[C@@H]1CC(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)CC[N@@H+]1C ZINC000753930843 576866742 /nfs/dbraw/zinc/86/67/42/576866742.db2.gz XAJCWYLBDVTGRO-RTXFEEFZSA-N 2 0 263.389 1.317 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000747403916 576868841 /nfs/dbraw/zinc/86/88/41/576868841.db2.gz APDGGVJHWSHZGY-GJZGRUSLSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942596409 613025891 /nfs/dbraw/zinc/02/58/91/613025891.db2.gz AAPLJOQNXKZMFH-ZBFHGGJFSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000971521857 613083927 /nfs/dbraw/zinc/08/39/27/613083927.db2.gz FFFJWOJUBXJGMO-HUUCEWRRSA-N 2 0 277.412 1.025 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC000971711882 613089209 /nfs/dbraw/zinc/08/92/09/613089209.db2.gz FSPAIMXYMXTLPB-GJZGRUSLSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCC=C)CC2)CC1 ZINC000957767763 613129174 /nfs/dbraw/zinc/12/91/74/613129174.db2.gz JKDQYWYEOFRRGU-UHFFFAOYSA-N 2 0 289.423 1.052 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968547873 613333412 /nfs/dbraw/zinc/33/34/12/613333412.db2.gz BCVQUTRGYALYLG-LSDHHAIUSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944944620 613335208 /nfs/dbraw/zinc/33/52/08/613335208.db2.gz NQKXKOHMPAEKQY-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC000961153686 613345729 /nfs/dbraw/zinc/34/57/29/613345729.db2.gz WNUKFDPOIXYVBE-ZSHCYNCHSA-N 2 0 296.374 1.570 20 30 CDEDRP C=CCCN1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000951749951 613478273 /nfs/dbraw/zinc/47/82/73/613478273.db2.gz LRHRFJZWXPSBQA-DZGCQCFKSA-N 2 0 279.428 1.293 20 30 CDEDRP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000981842024 613542064 /nfs/dbraw/zinc/54/20/64/613542064.db2.gz RRPCYHYKPOQYHA-OAHLLOKOSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CCC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977604222 613554595 /nfs/dbraw/zinc/55/45/95/613554595.db2.gz VPBAXWWGOAHGNH-KGLIPLIRSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000971538557 613610313 /nfs/dbraw/zinc/61/03/13/613610313.db2.gz DXXKFXBMNYHWTC-OAHLLOKOSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000982016542 613679711 /nfs/dbraw/zinc/67/97/11/613679711.db2.gz NQVZOVSFBHICQS-AWEZNQCLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942721040 613742832 /nfs/dbraw/zinc/74/28/32/613742832.db2.gz KRKOUDPURMHJHO-LSDHHAIUSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000963912373 613859321 /nfs/dbraw/zinc/85/93/21/613859321.db2.gz KLZIEKPCWJYILB-FHERZECASA-N 2 0 293.455 1.873 20 30 CDEDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH+]=C(N(C)C)N(C)C)C1 ZINC000157400342 617984645 /nfs/dbraw/zinc/98/46/45/617984645.db2.gz MHMMUPCUQLWXMY-AWEZNQCLSA-N 2 0 268.449 1.834 20 30 CDEDRP C=C(C)C[NH+]1CCC(Nc2cc(N(C)C)ncn2)CC1 ZINC000892395171 618136585 /nfs/dbraw/zinc/13/65/85/618136585.db2.gz AWHRVLIMJUXGQZ-UHFFFAOYSA-N 2 0 275.400 1.995 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000911726218 629443867 /nfs/dbraw/zinc/44/38/67/629443867.db2.gz RTISKHSMFXUBEV-UPJWGTAASA-N 2 0 253.390 1.174 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911750583 629468484 /nfs/dbraw/zinc/46/84/84/629468484.db2.gz DRSLNKHNWHHMOH-ZIAGYGMSSA-N 2 0 269.433 1.933 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000920458908 632782820 /nfs/dbraw/zinc/78/28/20/632782820.db2.gz MZGYOWKROAGOPS-HNNXBMFYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130203143 1162569602 /nfs/dbraw/zinc/56/96/02/1162569602.db2.gz GMKOCKAHKTUTQM-CHWSQXEVSA-N 2 0 255.406 1.387 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001088381548 1160392163 /nfs/dbraw/zinc/39/21/63/1160392163.db2.gz GYABKJMOGGIEAN-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001755721415 1160491791 /nfs/dbraw/zinc/49/17/91/1160491791.db2.gz ABALFPKOCQRTHA-CABCVRRESA-N 2 0 279.428 1.319 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001154013126 1165963645 /nfs/dbraw/zinc/96/36/45/1165963645.db2.gz XRMGBRVWGKDHGR-CHWSQXEVSA-N 2 0 255.406 1.339 20 30 CDEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001097101642 1166965056 /nfs/dbraw/zinc/96/50/56/1166965056.db2.gz UQWZIGQDZVHACV-QCODTGAPSA-N 2 0 291.439 1.624 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631295 1167268938 /nfs/dbraw/zinc/26/89/38/1167268938.db2.gz LUPYZQQHYYSFMO-CQSZACIVSA-N 2 0 281.444 1.731 20 30 CDEDRP N#CC1(c2ccccc2)CC([NH2+]CCN2CC[NH2+]CC2)C1 ZINC001649838559 1169419657 /nfs/dbraw/zinc/41/96/57/1169419657.db2.gz JCMABYSNBVASMB-UHFFFAOYSA-N 2 0 284.407 1.105 20 30 CDEDRP C=CCCC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001713787322 1178753924 /nfs/dbraw/zinc/75/39/24/1178753924.db2.gz CFRHCPXBYPIESL-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CCC[N@H+]1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001752786432 1184913552 /nfs/dbraw/zinc/91/35/52/1184913552.db2.gz RYYYISWPNIYJPB-OAHLLOKOSA-N 2 0 281.444 1.733 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001752939787 1184970748 /nfs/dbraw/zinc/97/07/48/1184970748.db2.gz ZMDNLBNHRKFQHF-CVEARBPZSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001753074163 1185041124 /nfs/dbraw/zinc/04/11/24/1185041124.db2.gz BHXCPLVERORQFE-CHWSQXEVSA-N 2 0 253.390 1.093 20 30 CDEDRP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)CCCC[NH+](C)C)C1 ZINC001753319588 1185152425 /nfs/dbraw/zinc/15/24/25/1185152425.db2.gz IKKVDMBXNCWUMD-INIZCTEOSA-N 2 0 293.455 1.664 20 30 CDEDRP C=CC[NH2+][C@H](CC)CNC(=O)CC[NH+]1CCCCC1 ZINC001753496683 1185235964 /nfs/dbraw/zinc/23/59/64/1185235964.db2.gz HCPKXLGNVLXYFZ-CQSZACIVSA-N 2 0 267.417 1.533 20 30 CDEDRP CC#CC[NH2+]C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001754297386 1185557754 /nfs/dbraw/zinc/55/77/54/1185557754.db2.gz IKBRYBGZPOWELD-HNNXBMFYSA-N 2 0 279.428 1.370 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001754505127 1185648626 /nfs/dbraw/zinc/64/86/26/1185648626.db2.gz LABLQNVXHIFIDO-OAHLLOKOSA-N 2 0 279.428 1.629 20 30 CDEDRP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001754711234 1185712304 /nfs/dbraw/zinc/71/23/04/1185712304.db2.gz WYGRCPQKHNVCPC-QGZVFWFLSA-N 2 0 293.455 1.570 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001754821283 1185741036 /nfs/dbraw/zinc/74/10/36/1185741036.db2.gz OUVVSDXHIDQVMF-ZFWWWQNUSA-N 2 0 279.428 1.198 20 30 CDEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001755199148 1185851177 /nfs/dbraw/zinc/85/11/77/1185851177.db2.gz PZJHLDSXTJPTBB-HNNXBMFYSA-N 2 0 281.444 1.827 20 30 CDEDRP CC#CC[NH2+]CC1CC(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001755212075 1185856284 /nfs/dbraw/zinc/85/62/84/1185856284.db2.gz CUDSRUFBXMEVBE-YMAMQOFZSA-N 2 0 297.418 1.174 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001755251398 1185876973 /nfs/dbraw/zinc/87/69/73/1185876973.db2.gz YXBMSIBGXZXWNN-UONOGXRCSA-N 2 0 281.444 1.777 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001755260335 1185881651 /nfs/dbraw/zinc/88/16/51/1185881651.db2.gz OUCOAFQEUMOORA-LSDHHAIUSA-N 2 0 281.444 1.777 20 30 CDEDRP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001755483652 1185965753 /nfs/dbraw/zinc/96/57/53/1185965753.db2.gz RKBZBKUQMZLVRN-WKILWMFISA-N 2 0 291.439 1.370 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001755568348 1185993004 /nfs/dbraw/zinc/99/30/04/1185993004.db2.gz IPOOMPCFHJCPKG-HNNXBMFYSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001755603109 1186008208 /nfs/dbraw/zinc/00/82/08/1186008208.db2.gz YSNNKCPFCFBUIR-CABCVRRESA-N 2 0 281.444 1.731 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001755690637 1186038133 /nfs/dbraw/zinc/03/81/33/1186038133.db2.gz PMBHQZIWWVNLRA-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@H]21 ZINC001755712919 1186043960 /nfs/dbraw/zinc/04/39/60/1186043960.db2.gz RVJAFPAFHKDBTO-ARFHVFGLSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001028636234 742844271 /nfs/dbraw/zinc/84/42/71/742844271.db2.gz MMSIGLCKINPUCX-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@H]21 ZINC001036737887 742849828 /nfs/dbraw/zinc/84/98/28/742849828.db2.gz XLOQURFDXVWHRY-GDBMZVCRSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001040260435 742855117 /nfs/dbraw/zinc/85/51/17/742855117.db2.gz FCPPGNLLJSMZSA-NVXWUHKLSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CCCC)C2)CC1 ZINC001044334903 742858148 /nfs/dbraw/zinc/85/81/48/742858148.db2.gz AQRBKABZTFBFIU-UHFFFAOYSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001027414291 742869404 /nfs/dbraw/zinc/86/94/04/742869404.db2.gz MAPRTZDTTPXZMZ-CVEARBPZSA-N 2 0 291.439 1.437 20 30 CDEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997422920 743068830 /nfs/dbraw/zinc/06/88/30/743068830.db2.gz ANSPUAMUXJMEGQ-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP C[C@H]1C[NH+](CCCNC(=[NH2+])N2CCCCCC2)C[C@H](C)O1 ZINC000125920642 743141692 /nfs/dbraw/zinc/14/16/92/743141692.db2.gz GOSLHRPCDYLBGF-GJZGRUSLSA-N 2 0 296.459 1.676 20 30 CDEDRP C[C@@H]1CCC[N@H+](CCCCNC2=[NH+]CCN2C)C1 ZINC000848990049 745083295 /nfs/dbraw/zinc/08/32/95/745083295.db2.gz VHDJJITZGXAJQP-CYBMUJFWSA-N 2 0 252.406 1.390 20 30 CDEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000985793858 745126052 /nfs/dbraw/zinc/12/60/52/745126052.db2.gz YIIVENRCLPJWDU-CQSZACIVSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CCN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000886208920 745285727 /nfs/dbraw/zinc/28/57/27/745285727.db2.gz ADRUMHDXTNULGQ-PMPSAXMXSA-N 2 0 261.413 1.300 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996301207 745308682 /nfs/dbraw/zinc/30/86/82/745308682.db2.gz SDWMSAYTSBXODP-LSDHHAIUSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033353183 745372553 /nfs/dbraw/zinc/37/25/53/745372553.db2.gz DWNHORVFCPQJHZ-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP CC(C)NC(=[NH2+])NC[C@@H](C)N1CCc2sccc2C1 ZINC000261973167 745399876 /nfs/dbraw/zinc/39/98/76/745399876.db2.gz DZPMVMXOCDZVMO-LLVKDONJSA-N 2 0 280.441 1.807 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033831828 745501412 /nfs/dbraw/zinc/50/14/12/745501412.db2.gz ZDNLVPFMVWEMHC-CVEARBPZSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001020145331 745637177 /nfs/dbraw/zinc/63/71/77/745637177.db2.gz LSYJYXMAHWOSHI-MGPQQGTHSA-N 2 0 299.846 1.849 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052394652 745673114 /nfs/dbraw/zinc/67/31/14/745673114.db2.gz ZRZDKRZEHCYUOM-BZUAXINKSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039471423 745716060 /nfs/dbraw/zinc/71/60/60/745716060.db2.gz XYWPBFDQATVJKY-XHSDSOJGSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034394364 745802918 /nfs/dbraw/zinc/80/29/18/745802918.db2.gz MDIQMFDVHMHDCO-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCCCCC2)C1 ZINC000305067911 745842921 /nfs/dbraw/zinc/84/29/21/745842921.db2.gz NQDQKJFDCPPQCR-CQSZACIVSA-N 2 0 266.433 1.909 20 30 CDEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039321869 745887467 /nfs/dbraw/zinc/88/74/67/745887467.db2.gz VFQCZBVCBGSQRH-HNSVSWJLSA-N 2 0 289.423 1.073 20 30 CDEDRP CC(C)[C@@H](CNC(=[NH2+])NC(C)(C)C)N1CCOCC1 ZINC000303779600 745892446 /nfs/dbraw/zinc/89/24/46/745892446.db2.gz KRQWACMGVPVDHK-GFCCVEGCSA-N 2 0 270.421 1.046 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001020213963 746032974 /nfs/dbraw/zinc/03/29/74/746032974.db2.gz BTPDQZITEJBCEU-IHRRRGAJSA-N 2 0 299.846 1.850 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CC1(C)C ZINC000996299804 746034441 /nfs/dbraw/zinc/03/44/41/746034441.db2.gz DNFYNPYRGZVXEU-ZIAGYGMSSA-N 2 0 279.428 1.483 20 30 CDEDRP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001028580086 746053384 /nfs/dbraw/zinc/05/33/84/746053384.db2.gz PPPLGIIUSQSKJQ-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC000995822402 746075743 /nfs/dbraw/zinc/07/57/43/746075743.db2.gz APSZOIAYFVGLRV-KFWWJZLASA-N 2 0 293.455 1.729 20 30 CDEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001035851549 746083425 /nfs/dbraw/zinc/08/34/25/746083425.db2.gz QFQGZEMHGPRQFA-UHFFFAOYSA-N 2 0 289.423 1.030 20 30 CDEDRP [NH2+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCCCCC1 ZINC000305033965 746137526 /nfs/dbraw/zinc/13/75/26/746137526.db2.gz AYYCZCOKIHPDSR-ZDUSSCGKSA-N 2 0 264.417 1.661 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC000989828538 746386841 /nfs/dbraw/zinc/38/68/41/746386841.db2.gz FKQGKQHUVKWBKL-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC)[C@@H](C)C2)CC1 ZINC001036308258 746475796 /nfs/dbraw/zinc/47/57/96/746475796.db2.gz DEEOCJRFUAKEOJ-HOCLYGCPSA-N 2 0 291.439 1.178 20 30 CDEDRP C#Cc1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000809604671 746612120 /nfs/dbraw/zinc/61/21/20/746612120.db2.gz NYLVLAWFYWCXRG-UHFFFAOYSA-N 2 0 285.435 1.784 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001022585889 746675907 /nfs/dbraw/zinc/67/59/07/746675907.db2.gz VZDDGBDGOURCIU-HRCADAONSA-N 2 0 293.455 1.921 20 30 CDEDRP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046330667 746739991 /nfs/dbraw/zinc/73/99/91/746739991.db2.gz PMWOWZLLJSVTPF-ZMSDIMECSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001033778284 746756298 /nfs/dbraw/zinc/75/62/98/746756298.db2.gz ZRGGNZCNKFLVGO-KGLIPLIRSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001794893 746792613 /nfs/dbraw/zinc/79/26/13/746792613.db2.gz LSECCFRLYYHKAG-UHFFFAOYSA-N 2 0 279.428 1.342 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001038626529 746810138 /nfs/dbraw/zinc/81/01/38/746810138.db2.gz VBQVBJORNPTCIL-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001036192169 746812689 /nfs/dbraw/zinc/81/26/89/746812689.db2.gz IXSHMUZWDMDZRY-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001036131715 746828452 /nfs/dbraw/zinc/82/84/52/746828452.db2.gz LFJKUDXDPRDBSU-CABCVRRESA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001022975153 746851676 /nfs/dbraw/zinc/85/16/76/746851676.db2.gz GLWJKHRQBRRVIV-XQLPTFJDSA-N 2 0 279.428 1.530 20 30 CDEDRP N#CC[C@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000397654341 746903723 /nfs/dbraw/zinc/90/37/23/746903723.db2.gz MOVZIPPAMACHPR-ZIAGYGMSSA-N 2 0 251.374 1.069 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999374620 747010813 /nfs/dbraw/zinc/01/08/13/747010813.db2.gz RSSNOUWPZZGYPX-GJZGRUSLSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001019468260 747083344 /nfs/dbraw/zinc/08/33/44/747083344.db2.gz MWVZVABRMZZSAP-LSDHHAIUSA-N 2 0 277.412 1.073 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC001015781530 747182310 /nfs/dbraw/zinc/18/23/10/747182310.db2.gz MVKDABQRGIGINU-CQSZACIVSA-N 2 0 290.411 1.773 20 30 CDEDRP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001001464604 747182823 /nfs/dbraw/zinc/18/28/23/747182823.db2.gz XKOYBRJBOVTMGJ-MRXNPFEDSA-N 2 0 289.423 1.242 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049171268 747209159 /nfs/dbraw/zinc/20/91/59/747209159.db2.gz NHYMZKCBJXQEIQ-OAGGEKHMSA-N 2 0 291.439 1.295 20 30 CDEDRP CC(C)CNC(=[NH2+])NCCC[N@@H+]1CCc2ccccc2C1 ZINC000303896764 747454003 /nfs/dbraw/zinc/45/40/03/747454003.db2.gz QEIRPPDUMJELLP-UHFFFAOYSA-N 2 0 288.439 1.995 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001022278373 747611275 /nfs/dbraw/zinc/61/12/75/747611275.db2.gz MKWLBJHKJVWXTK-FZKCQIBNSA-N 2 0 291.439 1.816 20 30 CDEDRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1C#N ZINC000848719376 747688543 /nfs/dbraw/zinc/68/85/43/747688543.db2.gz CNSLWBDOZSRARH-ZIAGYGMSSA-N 2 0 259.353 1.926 20 30 CDEDRP N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000923381590 747721525 /nfs/dbraw/zinc/72/15/25/747721525.db2.gz JPYJCGUBCADPRF-FVQBIDKESA-N 2 0 289.379 1.157 20 30 CDEDRP CCN(CC)C(=[NH2+])NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000104167969 747841503 /nfs/dbraw/zinc/84/15/03/747841503.db2.gz ADMXYBRBJQJNIP-STQMWFEESA-N 2 0 254.422 1.763 20 30 CDEDRP CCCC1(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000305098314 747863804 /nfs/dbraw/zinc/86/38/04/747863804.db2.gz WOXWRGHMWCAFGX-CYBMUJFWSA-N 2 0 266.433 1.955 20 30 CDEDRP C#CC[N@@H+]1CCC[C@H](Nc2cc[nH+]cc2C2CC2)C1 ZINC000884610407 747893141 /nfs/dbraw/zinc/89/31/41/747893141.db2.gz LOBADHMUKGVZLI-AWEZNQCLSA-N 2 0 255.365 1.890 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3cnc[nH]3)[C@@H]2C1 ZINC001050151871 747899476 /nfs/dbraw/zinc/89/94/76/747899476.db2.gz WJUGCUFASXVNIC-DZGCQCFKSA-N 2 0 288.395 1.451 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC000989393325 747984792 /nfs/dbraw/zinc/98/47/92/747984792.db2.gz ZNODSINLXNKRAC-OCCSQVGLSA-N 2 0 265.401 1.093 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000104153975 748052823 /nfs/dbraw/zinc/05/28/23/748052823.db2.gz UEGRSJJPKADAJQ-QWHCGFSZSA-N 2 0 252.406 1.517 20 30 CDEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014415748 748092404 /nfs/dbraw/zinc/09/24/04/748092404.db2.gz VXZKPJWBXUPSAW-LSDHHAIUSA-N 2 0 277.412 1.073 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000990276906 748184077 /nfs/dbraw/zinc/18/40/77/748184077.db2.gz KUFQGYMALIDVQA-CQSZACIVSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033199336 748394315 /nfs/dbraw/zinc/39/43/15/748394315.db2.gz QYEGSEXDKDAARH-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001050138648 748650160 /nfs/dbraw/zinc/65/01/60/748650160.db2.gz ONZFISHVRYGJCT-OWCLPIDISA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000989636400 748706204 /nfs/dbraw/zinc/70/62/04/748706204.db2.gz WRFLNVQJWSONDD-GOEBONIOSA-N 2 0 293.455 1.872 20 30 CDEDRP C[C@@H](CNC(=[NH2+])N1CCCCC1)[NH+]1CCC(C)CC1 ZINC000303878645 748838425 /nfs/dbraw/zinc/83/84/25/748838425.db2.gz JDLWITBBDVAIOR-AWEZNQCLSA-N 2 0 266.433 1.907 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001049996036 748894954 /nfs/dbraw/zinc/89/49/54/748894954.db2.gz TVHCOCQMHOSWLI-HRCADAONSA-N 2 0 291.439 1.580 20 30 CDEDRP C=C(C)CCN1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001042714997 748939154 /nfs/dbraw/zinc/93/91/54/748939154.db2.gz JRZRHENXPUBHEC-MRXNPFEDSA-N 2 0 293.455 1.968 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033580434 748958218 /nfs/dbraw/zinc/95/82/18/748958218.db2.gz DUARSUGWHFOYNQ-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996249538 749039728 /nfs/dbraw/zinc/03/97/28/749039728.db2.gz PTXFHKNLMXNZAB-CQSZACIVSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000840506012 749045914 /nfs/dbraw/zinc/04/59/14/749045914.db2.gz BCQJMLABNAPQPZ-UHFFFAOYSA-N 2 0 279.359 1.944 20 30 CDEDRP C#CCC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034490036 749082956 /nfs/dbraw/zinc/08/29/56/749082956.db2.gz IHEMVLKLCPRHKG-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001052430417 749204641 /nfs/dbraw/zinc/20/46/41/749204641.db2.gz SDLNWYOBEDXTCI-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[NH2+]C1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001026561399 749217392 /nfs/dbraw/zinc/21/73/92/749217392.db2.gz ZERQTBMXLDNXLN-FHERZECASA-N 2 0 293.455 1.921 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCC[NH+]1CC ZINC000304764822 749269441 /nfs/dbraw/zinc/26/94/41/749269441.db2.gz YMRYUZROAUUPMV-LSDHHAIUSA-N 3 0 295.475 1.249 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1CC ZINC001037860062 749307675 /nfs/dbraw/zinc/30/76/75/749307675.db2.gz MRIDPZSBIQEYDJ-GOEBONIOSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001023446096 749309791 /nfs/dbraw/zinc/30/97/91/749309791.db2.gz JYLGPOPWEJNOKB-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)c1ccncc1 ZINC000819074142 749329099 /nfs/dbraw/zinc/32/90/99/749329099.db2.gz MJZRZFZQOZMEQT-CVEARBPZSA-N 2 0 275.396 1.744 20 30 CDEDRP C=CCOC1CCC(NC(=[NH2+])NCCCC[NH3+])CC1 ZINC001173313027 912407319 /nfs/dbraw/zinc/40/73/19/912407319.db2.gz PZXQSWLRTMNNJM-UHFFFAOYSA-N 2 0 268.405 1.353 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106111056 912840615 /nfs/dbraw/zinc/84/06/15/912840615.db2.gz DDGGZZWYFDZYPJ-OAGGEKHMSA-N 2 0 291.439 1.177 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209455630 894727850 /nfs/dbraw/zinc/72/78/50/894727850.db2.gz VXVWCZIFARKEDQ-AWEZNQCLSA-N 2 0 267.417 1.485 20 30 CDEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001176156352 913989297 /nfs/dbraw/zinc/98/92/97/913989297.db2.gz HZUGUNLOYHNYOK-OAHLLOKOSA-N 2 0 299.459 1.405 20 30 CDEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176285104 914015782 /nfs/dbraw/zinc/01/57/82/914015782.db2.gz MXDCJQQQHMUFKD-HNNXBMFYSA-N 2 0 281.444 1.616 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621683 914075501 /nfs/dbraw/zinc/07/55/01/914075501.db2.gz YVKXGGPKLSNDEC-GDBMZVCRSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104625515 898809389 /nfs/dbraw/zinc/80/93/89/898809389.db2.gz QIFGYJHTRXOUMH-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001176857674 914351523 /nfs/dbraw/zinc/35/15/23/914351523.db2.gz YMLUSULDNONBEX-OKILXGFUSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001105067303 899845566 /nfs/dbraw/zinc/84/55/66/899845566.db2.gz WCDWUTPFDZQWDB-HZPDHXFCSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874292 914487493 /nfs/dbraw/zinc/48/74/93/914487493.db2.gz BBSHDVOMRRQSDC-OWCLPIDISA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001567895409 1169047586 /nfs/dbraw/zinc/04/75/86/1169047586.db2.gz XGBTZNHYPVXFGN-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189391158 921455631 /nfs/dbraw/zinc/45/56/31/921455631.db2.gz WNGMEHRRHPEADB-LSDHHAIUSA-N 2 0 279.428 1.580 20 30 CDEDRP CC[C@H](C)[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C(=O)NO ZINC001168314261 908984366 /nfs/dbraw/zinc/98/43/66/908984366.db2.gz AFDXOBIQKHMZNR-WTIISPKJSA-N 2 0 271.405 1.369 20 30 CDEDRP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093194825 909682885 /nfs/dbraw/zinc/68/28/85/909682885.db2.gz CGUQFXLDSAVIDM-OWCLPIDISA-N 2 0 293.455 1.588 20 30 CDEDRP C[C@H](CCCC#N)[NH2+]CCCN1CC[NH+](C)CC1 ZINC001172475783 911680612 /nfs/dbraw/zinc/68/06/12/911680612.db2.gz BONQREMPFYFCJA-CQSZACIVSA-N 2 0 252.406 1.296 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178360924 915395898 /nfs/dbraw/zinc/39/58/98/915395898.db2.gz SQANXFKDORMZCW-KKUMJFAQSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001178698701 915586449 /nfs/dbraw/zinc/58/64/49/915586449.db2.gz RGTBNQSQELASCU-OAHLLOKOSA-N 2 0 279.428 1.226 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@H]1C ZINC001178813258 915637054 /nfs/dbraw/zinc/63/70/54/915637054.db2.gz DIGMKYGDQPYHIH-ZNMIVQPWSA-N 2 0 297.418 1.269 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001178815962 915662713 /nfs/dbraw/zinc/66/27/13/915662713.db2.gz PXPDOIAFLNEDEX-CQSZACIVSA-N 2 0 267.417 1.226 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC001179146170 915757977 /nfs/dbraw/zinc/75/79/77/915757977.db2.gz RNYUTJSZUZACHL-BBRMVZONSA-N 2 0 296.374 1.550 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001179392517 915831875 /nfs/dbraw/zinc/83/18/75/915831875.db2.gz GQAHKHFWEGXEJO-UHFFFAOYSA-N 2 0 281.444 1.780 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981648 917620478 /nfs/dbraw/zinc/62/04/78/917620478.db2.gz YIPYSTAGZMNFBQ-QLFBSQMISA-N 2 0 279.428 1.198 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001107032928 917859958 /nfs/dbraw/zinc/85/99/58/917859958.db2.gz BESDSXVBZGBGGH-HZPDHXFCSA-N 2 0 291.439 1.180 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182623397 917987839 /nfs/dbraw/zinc/98/78/39/917987839.db2.gz KYIHEJHWYIGCPR-HZPDHXFCSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996301162 918244926 /nfs/dbraw/zinc/24/49/26/918244926.db2.gz QWJQKABNTKZPID-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)Cc2ncc[nH]2)C[C@H]1C ZINC001182997125 918247174 /nfs/dbraw/zinc/24/71/74/918247174.db2.gz LOTBRDDFXGCJIA-CZUORRHYSA-N 2 0 288.395 1.050 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N(C)CC[NH+]1CCCC1 ZINC001183044295 918269564 /nfs/dbraw/zinc/26/95/64/918269564.db2.gz GWFZIGYGHQJGSE-UHFFFAOYSA-N 2 0 265.401 1.193 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001183240712 918403150 /nfs/dbraw/zinc/40/31/50/918403150.db2.gz QIBRKJOJXRFJKZ-JKSUJKDBSA-N 2 0 291.439 1.178 20 30 CDEDRP CC[C@@H](CC#N)[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001255155030 936504896 /nfs/dbraw/zinc/50/48/96/936504896.db2.gz NDBOHOLKWAMIRI-AWEZNQCLSA-N 2 0 252.406 1.294 20 30 CDEDRP C=CCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273495140 919356790 /nfs/dbraw/zinc/35/67/90/919356790.db2.gz OSDNEDUOTNWWGG-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001185049097 919379418 /nfs/dbraw/zinc/37/94/18/919379418.db2.gz AHGIXZLPKUOZQC-HUUCEWRRSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001185357700 919544965 /nfs/dbraw/zinc/54/49/65/919544965.db2.gz DSOZMXFVTNMPMR-CVEARBPZSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001185446967 919630422 /nfs/dbraw/zinc/63/04/22/919630422.db2.gz OTMQJXHSSLITJV-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187825142 920664027 /nfs/dbraw/zinc/66/40/27/920664027.db2.gz FAVRHFQDYUYJQY-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190084501 921833677 /nfs/dbraw/zinc/83/36/77/921833677.db2.gz OMHVKDFGIAYTLI-JKSUJKDBSA-N 2 0 291.439 1.415 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001099158941 936781459 /nfs/dbraw/zinc/78/14/59/936781459.db2.gz AZWBHUNDSDNQAE-VYDXJSESSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001192550732 923124454 /nfs/dbraw/zinc/12/44/54/923124454.db2.gz LAYYVRHDTCOOOY-UKRRQHHQSA-N 2 0 290.411 1.840 20 30 CDEDRP C=C(C[NH+]1CCCCC1)C(=O)N1CCC2(C[NH+](C)C2)CC1 ZINC001273147648 923363442 /nfs/dbraw/zinc/36/34/42/923363442.db2.gz YEJBSIIDDXUBKR-UHFFFAOYSA-N 2 0 291.439 1.583 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001080136343 924491010 /nfs/dbraw/zinc/49/10/10/924491010.db2.gz NJMXJZFZGGUWPE-CZUORRHYSA-N 2 0 296.374 1.408 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001080559160 924597850 /nfs/dbraw/zinc/59/78/50/924597850.db2.gz XXAFOOHGRQJLMY-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001082943913 925036761 /nfs/dbraw/zinc/03/67/61/925036761.db2.gz RJKIGHMFDQHUAF-BZUAXINKSA-N 2 0 293.455 1.729 20 30 CDEDRP C#CCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101478491 936973974 /nfs/dbraw/zinc/97/39/74/936973974.db2.gz QMTIYDCARIIDFH-WBVHZDCISA-N 2 0 291.439 1.130 20 30 CDEDRP C#CCN1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197484460 925148899 /nfs/dbraw/zinc/14/88/99/925148899.db2.gz DYDNQLNHDATPPM-MRXNPFEDSA-N 2 0 293.455 1.520 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001084429218 925248447 /nfs/dbraw/zinc/24/84/47/925248447.db2.gz TZGHAKCLJQBKMU-OAGGEKHMSA-N 2 0 291.439 1.129 20 30 CDEDRP C=CCOCC[NH2+]C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001203924528 925588088 /nfs/dbraw/zinc/58/80/88/925588088.db2.gz BAICPZONXKZIOC-UHFFFAOYSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001201268338 926247747 /nfs/dbraw/zinc/24/77/47/926247747.db2.gz XVWLDWGYYWJWGO-OAHLLOKOSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085928531 926515295 /nfs/dbraw/zinc/51/52/95/926515295.db2.gz ZLHXWBGFLOVVPQ-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001488742965 926691447 /nfs/dbraw/zinc/69/14/47/926691447.db2.gz ZVBXQGAPSMQMOU-BETUJISGSA-N 2 0 299.846 1.708 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001202473622 926742772 /nfs/dbraw/zinc/74/27/72/926742772.db2.gz LYMDDLPVZCQXBN-MRXNPFEDSA-N 2 0 293.455 1.711 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001490456572 927193243 /nfs/dbraw/zinc/19/32/43/927193243.db2.gz JBJWPWFUIYAKMT-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001150351212 937228721 /nfs/dbraw/zinc/22/87/21/937228721.db2.gz VKSJUBYRSDFLGC-GJZGRUSLSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129357934 928612049 /nfs/dbraw/zinc/61/20/49/928612049.db2.gz OCYKOEFTDKNLFM-CYBMUJFWSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001108717918 928615382 /nfs/dbraw/zinc/61/53/82/928615382.db2.gz YQLNQUPLHVZUEC-KKUMJFAQSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CCC)C2 ZINC001108803157 928637487 /nfs/dbraw/zinc/63/74/87/928637487.db2.gz XMTYDEZLNNTSJV-XHSDSOJGSA-N 2 0 293.455 1.873 20 30 CDEDRP CCCCCCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151065222 937266938 /nfs/dbraw/zinc/26/69/38/937266938.db2.gz IMSBAJHACVUKJG-CQSZACIVSA-N 2 0 269.433 1.614 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001151242842 937276839 /nfs/dbraw/zinc/27/68/39/937276839.db2.gz WRVVKUJITJIVTN-UHFFFAOYSA-N 2 0 287.407 1.086 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001112843399 929491184 /nfs/dbraw/zinc/49/11/84/929491184.db2.gz UCMKNCVZLXQBMP-MRXNPFEDSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCC(C)(C)C)CC1 ZINC001152324090 937353133 /nfs/dbraw/zinc/35/31/33/937353133.db2.gz KBEWBDFWGDUGRI-UHFFFAOYSA-N 2 0 293.455 1.474 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](C)CCC=C)CC1 ZINC001152324325 937353640 /nfs/dbraw/zinc/35/36/40/937353640.db2.gz QJHOUVPJIJBAIH-HNNXBMFYSA-N 2 0 291.439 1.392 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135095346 930048304 /nfs/dbraw/zinc/04/83/04/930048304.db2.gz FIWBGCDFYOXSRH-KBPBESRZSA-N 2 0 265.401 1.285 20 30 CDEDRP C=CCN(CC[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1)C(=O)OCC ZINC001205980905 930555773 /nfs/dbraw/zinc/55/57/73/930555773.db2.gz ALZVKEHASCGXOJ-GJZGRUSLSA-N 2 0 297.443 1.938 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153302406 937437511 /nfs/dbraw/zinc/43/75/11/937437511.db2.gz UUPSNDIZKWPGNM-UHFFFAOYSA-N 2 0 267.417 1.534 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153312395 937438550 /nfs/dbraw/zinc/43/85/50/937438550.db2.gz HZVSRXWEQFYGOP-HUUCEWRRSA-N 2 0 281.444 1.872 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153994541 937489445 /nfs/dbraw/zinc/48/94/45/937489445.db2.gz LEVRQRHNWNAYOZ-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154178473 937514163 /nfs/dbraw/zinc/51/41/63/937514163.db2.gz KDFHPFUIAXSPSC-CQSZACIVSA-N 2 0 298.390 1.798 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146409352 932245281 /nfs/dbraw/zinc/24/52/81/932245281.db2.gz WMGKNIDJJLKKED-ZIAGYGMSSA-N 2 0 267.417 1.531 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146610365 932271269 /nfs/dbraw/zinc/27/12/69/932271269.db2.gz ISXZNVHLMLMCSB-GJZGRUSLSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147835526 932617101 /nfs/dbraw/zinc/61/71/01/932617101.db2.gz TZZLGYLOTLUSDM-ZIAGYGMSSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001148297726 932687660 /nfs/dbraw/zinc/68/76/60/932687660.db2.gz AYPHHXPOIIQXQG-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001148278463 932690177 /nfs/dbraw/zinc/69/01/77/932690177.db2.gz WRZDJLZFXJRKNL-OAHLLOKOSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001155751001 937670387 /nfs/dbraw/zinc/67/03/87/937670387.db2.gz DAWPDIGBRYWORU-ZIAGYGMSSA-N 2 0 292.427 1.991 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](CC)CC ZINC001155900382 937686246 /nfs/dbraw/zinc/68/62/46/937686246.db2.gz POIKEJYAGBOHAX-CYBMUJFWSA-N 2 0 255.406 1.341 20 30 CDEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001111230244 934289464 /nfs/dbraw/zinc/28/94/64/934289464.db2.gz JRBADOYMHWCQSY-KFWWJZLASA-N 2 0 279.428 1.626 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120422570 937798774 /nfs/dbraw/zinc/79/87/74/937798774.db2.gz MZHAHDYMHCREKH-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001096017549 935881208 /nfs/dbraw/zinc/88/12/08/935881208.db2.gz WIRPJXLXWVZMKK-WCVJEAGWSA-N 2 0 291.439 1.626 20 30 CDEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001096348429 936048072 /nfs/dbraw/zinc/04/80/72/936048072.db2.gz OLKUEKBDHZQJPM-FZKCQIBNSA-N 2 0 291.439 1.626 20 30 CDEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122177902 937911110 /nfs/dbraw/zinc/91/11/10/937911110.db2.gz MIWUBXLSEPEMJO-DPGVGJJJSA-N 2 0 291.439 1.531 20 30 CDEDRP C[C@@H]1CCN(C(=O)C[C@@H]([NH3+])c2ccc(C#N)cc2)C[C@@H]1[NH3+] ZINC001157803308 938547861 /nfs/dbraw/zinc/54/78/61/938547861.db2.gz BVYUKOIXRGASFB-DFBGVHRSSA-N 2 0 286.379 1.144 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157893626 938558353 /nfs/dbraw/zinc/55/83/53/938558353.db2.gz KGCGXBMEQCLZDV-AWEZNQCLSA-N 2 0 267.417 1.531 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)C1 ZINC001157969093 938570506 /nfs/dbraw/zinc/57/05/06/938570506.db2.gz LIEVYOBPVXCBLH-RDJZCZTQSA-N 2 0 285.391 1.468 20 30 CDEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001158419056 938620287 /nfs/dbraw/zinc/62/02/87/938620287.db2.gz IHDXMRLGZBBDTB-OAHLLOKOSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158426005 938623419 /nfs/dbraw/zinc/62/34/19/938623419.db2.gz YOHSTZPGFJNYLB-BFHYXJOUSA-N 2 0 265.401 1.413 20 30 CDEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](CC)CC ZINC001158616138 938642171 /nfs/dbraw/zinc/64/21/71/938642171.db2.gz DBVZOWSMORBDFY-OAHLLOKOSA-N 2 0 279.428 1.274 20 30 CDEDRP N#Cc1c2c(sc1NC1=C[NH2+]CCC1)C[NH2+]CC2 ZINC001159159195 938707259 /nfs/dbraw/zinc/70/72/59/938707259.db2.gz BFIPBNBNRASGLP-UHFFFAOYSA-N 2 0 260.366 1.902 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NCCC[NH2+]CCCCC ZINC001160209754 938775403 /nfs/dbraw/zinc/77/54/03/938775403.db2.gz VMEONVPAAKQBJZ-HNNXBMFYSA-N 2 0 279.428 1.370 20 30 CDEDRP C=CC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001160379177 938783160 /nfs/dbraw/zinc/78/31/60/938783160.db2.gz DDJOCTZJHSSVLP-UHFFFAOYSA-N 2 0 291.439 1.795 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161789006 938932520 /nfs/dbraw/zinc/93/25/20/938932520.db2.gz DJLJFXIYBBQZFA-UHFFFAOYSA-N 2 0 279.428 1.677 20 30 CDEDRP C[Si](C)(C)C#C[NH2+]C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163280218 939239135 /nfs/dbraw/zinc/23/91/35/939239135.db2.gz SADJDHOBQLYGLZ-UONOGXRCSA-N 2 0 266.461 1.573 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001164513442 939481635 /nfs/dbraw/zinc/48/16/35/939481635.db2.gz DRTCUHRGVMYING-OAHLLOKOSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203714267 939701197 /nfs/dbraw/zinc/70/11/97/939701197.db2.gz KWGFEQDWBGGMGQ-UHFFFAOYSA-N 2 0 279.428 1.629 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(F)c(C#N)c1 ZINC001205479109 939892652 /nfs/dbraw/zinc/89/26/52/939892652.db2.gz UBVPFOKRJMJRKI-UHFFFAOYSA-N 2 0 292.402 1.623 20 30 CDEDRP N#Cc1cccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205664142 939913272 /nfs/dbraw/zinc/91/32/72/939913272.db2.gz MOLNNJAVMAIVAB-HNNXBMFYSA-N 2 0 259.353 1.234 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207568301 940217527 /nfs/dbraw/zinc/21/75/27/940217527.db2.gz ZTGXFXLPMVYOJF-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001208414068 940329639 /nfs/dbraw/zinc/32/96/39/940329639.db2.gz HGRZFCUVQYMNEG-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208448100 940331448 /nfs/dbraw/zinc/33/14/48/940331448.db2.gz VIZASYAWUKXGQI-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP CC[NH+]1CCC(C[N@@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001208596506 940345206 /nfs/dbraw/zinc/34/52/06/940345206.db2.gz RDYLMGGZEDGPCH-AWEZNQCLSA-N 2 0 280.437 1.992 20 30 CDEDRP CC[NH+]1C[C@H]2C[NH+](CCc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001208927739 940407928 /nfs/dbraw/zinc/40/79/28/940407928.db2.gz DPLOUNZOSZAFQP-IRXDYDNUSA-N 2 0 269.392 1.984 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209408426 940585338 /nfs/dbraw/zinc/58/53/38/940585338.db2.gz NUWTXOHVKJUNPB-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209407778 940585399 /nfs/dbraw/zinc/58/53/99/940585399.db2.gz DMFHNOPAAMVITK-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001209668731 940624798 /nfs/dbraw/zinc/62/47/98/940624798.db2.gz HVLZOLVEVQDIJL-GJZGRUSLSA-N 2 0 297.443 1.110 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001214953026 940847408 /nfs/dbraw/zinc/84/74/08/940847408.db2.gz XFKKMSDLGHHMOW-RBSFLKMASA-N 2 0 281.444 1.729 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214969251 940848963 /nfs/dbraw/zinc/84/89/63/940848963.db2.gz MSAQTGCSTVNKGJ-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000402177765 940890042 /nfs/dbraw/zinc/89/00/42/940890042.db2.gz WXOYYUGXQHSHEJ-BYCMXARLSA-N 2 0 259.353 1.261 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216459000 940939645 /nfs/dbraw/zinc/93/96/45/940939645.db2.gz LUYOCPNTPWQYTI-HUUCEWRRSA-N 2 0 279.428 1.178 20 30 CDEDRP N#Cc1ccnc(NC(=O)c2ccc([C@H](N)C[NH3+])cc2)c1 ZINC001218505286 941226297 /nfs/dbraw/zinc/22/62/97/941226297.db2.gz PSABGDZZSRRHNV-CYBMUJFWSA-N 2 0 281.319 1.164 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC001219028008 941301365 /nfs/dbraw/zinc/30/13/65/941301365.db2.gz LFLDONUABFYRRY-INIZCTEOSA-N 2 0 287.363 1.415 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219640630 941368003 /nfs/dbraw/zinc/36/80/03/941368003.db2.gz BATKDBSVIIMIAQ-ZNMIVQPWSA-N 2 0 281.444 1.812 20 30 CDEDRP C=CC[C@@H](NC(=O)C[NH2+]CCC[NH3+])c1ccccc1 ZINC001221360449 941521701 /nfs/dbraw/zinc/52/17/01/941521701.db2.gz JFDIMCDZMXYGRR-CQSZACIVSA-N 2 0 261.369 1.358 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)s1 ZINC001222548528 941611906 /nfs/dbraw/zinc/61/19/06/941611906.db2.gz PTYOALBCVGBCFX-UHFFFAOYSA-N 2 0 253.346 1.883 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001223653890 941690586 /nfs/dbraw/zinc/69/05/86/941690586.db2.gz FQUYNZAPNLGZQR-UHFFFAOYSA-N 2 0 293.455 1.568 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001224260937 941735488 /nfs/dbraw/zinc/73/54/88/941735488.db2.gz NMILSDWSYTVKDK-UHFFFAOYSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001263109559 943750778 /nfs/dbraw/zinc/75/07/78/943750778.db2.gz AOPQFBIJQSAENX-KKUMJFAQSA-N 2 0 279.428 1.518 20 30 CDEDRP C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](CCCC[NH3+])C2 ZINC001235633558 944222342 /nfs/dbraw/zinc/22/23/42/944222342.db2.gz RDNCJADQMJRABY-CABCVRRESA-N 2 0 268.401 1.551 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCCC[NH3+])CC1 ZINC001236433210 944496406 /nfs/dbraw/zinc/49/64/06/944496406.db2.gz HBEAEVJMQOGNHE-UHFFFAOYSA-N 3 0 280.460 1.017 20 30 CDEDRP C=CCCC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266236189 944776420 /nfs/dbraw/zinc/77/64/20/944776420.db2.gz FNURTVSDEUXLKI-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP N#Cc1cc(-c2ncnc3c2C[NH2+]C3)cc(C2C[NH2+]C2)c1 ZINC001240337559 945795596 /nfs/dbraw/zinc/79/55/96/945795596.db2.gz MPCYJHDVTZTYGF-UHFFFAOYSA-N 2 0 277.331 1.305 20 30 CDEDRP CC[NH+](CC)CCN1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254652725 947572792 /nfs/dbraw/zinc/57/27/92/947572792.db2.gz HJGPHFOUJJLIMF-HOTGVXAUSA-N 2 0 278.444 1.638 20 30 CDEDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2[C@@H]1CC[C@H](C#N)C1 ZINC001254666808 947580987 /nfs/dbraw/zinc/58/09/87/947580987.db2.gz YKCKDOJFQNATTK-XUWVNRHRSA-N 2 0 276.428 1.389 20 30 CDEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001246218882 948035884 /nfs/dbraw/zinc/03/58/84/948035884.db2.gz VMHSJMPXEOKFOF-AWEZNQCLSA-N 2 0 298.434 1.515 20 30 CDEDRP N#CC1(NC2CC[NH2+]CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001246313983 948100530 /nfs/dbraw/zinc/10/05/30/948100530.db2.gz GRGYWIDVEQHLJM-UHFFFAOYSA-N 2 0 298.434 1.886 20 30 CDEDRP N#CC1CCC([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CC1 ZINC001246557977 948266136 /nfs/dbraw/zinc/26/61/36/948266136.db2.gz NHISELYIAURVIM-CXQJBGSLSA-N 2 0 257.328 1.985 20 30 CDEDRP C=C[C@@](C)(O)CN1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001252560415 951455096 /nfs/dbraw/zinc/45/50/96/951455096.db2.gz RLLOPRJDXYZZDD-HZPDHXFCSA-N 2 0 282.428 1.499 20 30 CDEDRP CC[NH+](CC)C[C@H](O)CNC(=[NH2+])c1ccc(C)c(C)c1 ZINC001253216122 951818209 /nfs/dbraw/zinc/81/82/09/951818209.db2.gz IJSAOWKKCNPWKJ-OAHLLOKOSA-N 2 0 277.412 1.711 20 30 CDEDRP C=CCC[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001492084980 955645733 /nfs/dbraw/zinc/64/57/33/955645733.db2.gz HLOOIXLTXQLJAH-KBPBESRZSA-N 2 0 267.417 1.389 20 30 CDEDRP C[N@H+]1CC=C(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC001346250650 965012494 /nfs/dbraw/zinc/01/24/94/965012494.db2.gz HHEBIGLGOLSLSI-UHFFFAOYSA-N 2 0 298.390 1.738 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC001521464253 970299449 /nfs/dbraw/zinc/29/94/49/970299449.db2.gz RIXFUCKLTBLTPZ-LSDHHAIUSA-N 2 0 279.428 1.757 20 30 CDEDRP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001505442306 974881591 /nfs/dbraw/zinc/88/15/91/974881591.db2.gz UGNRZEBOZLGXNU-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132278481 1163227371 /nfs/dbraw/zinc/22/73/71/1163227371.db2.gz PLEDMKDYMUQVRC-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132887339 1163501707 /nfs/dbraw/zinc/50/17/07/1163501707.db2.gz DLODPPPIQPRFBU-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001133074151 1163551450 /nfs/dbraw/zinc/55/14/50/1163551450.db2.gz YNAMDDDUGZMMBZ-JKSUJKDBSA-N 2 0 293.455 1.426 20 30 CDEDRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598596074 343840108 /nfs/dbraw/zinc/84/01/08/343840108.db2.gz QJJDZZALODLTRO-LSDHHAIUSA-N 2 0 281.444 1.951 20 30 CDEDRP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)CC(C)(C)C#N)CCO1 ZINC000598629120 343848657 /nfs/dbraw/zinc/84/86/57/343848657.db2.gz XNLRVYSPQACEQB-GJZGRUSLSA-N 2 0 297.443 1.330 20 30 CDEDRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000602693933 344541526 /nfs/dbraw/zinc/54/15/26/344541526.db2.gz JTSPJXHMSPMTFD-GXTWGEPZSA-N 2 0 265.401 1.504 20 30 CDEDRP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(CC#N)CC2)[C@H](C)C1 ZINC000610812642 346443994 /nfs/dbraw/zinc/44/39/94/346443994.db2.gz GCKIVHBOZJZRFD-HIFRSBDPSA-N 2 0 264.417 1.294 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NCC1([NH+](C)C)CCCC1 ZINC000264043255 362952803 /nfs/dbraw/zinc/95/28/03/362952803.db2.gz JMEDDJLATXLUMG-UHFFFAOYSA-N 2 0 278.400 1.819 20 30 CDEDRP N#Cc1cnn2cc(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cnc12 ZINC000603894037 350326740 /nfs/dbraw/zinc/32/67/40/350326740.db2.gz GHDBVBNGKKOUAY-HUUCEWRRSA-N 2 0 296.378 1.317 20 30 CDEDRP CCc1cccc(NC(=[NH2+])NC[C@H]2CN(C)CCO2)c1 ZINC000264129889 362974122 /nfs/dbraw/zinc/97/41/22/362974122.db2.gz XSGQNMFEEKIRKD-AWEZNQCLSA-N 2 0 276.384 1.306 20 30 CDEDRP C[NH+]=C(NCc1nccs1)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158372824 364045911 /nfs/dbraw/zinc/04/59/11/364045911.db2.gz MESHNXSETWJCAU-RYUDHWBXSA-N 2 0 295.456 1.537 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+](CC)CC)CC1 ZINC000358810017 367906618 /nfs/dbraw/zinc/90/66/18/367906618.db2.gz IFWKJEHCDBNIHN-AWEZNQCLSA-N 2 0 296.459 1.666 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000360849338 368517906 /nfs/dbraw/zinc/51/79/06/368517906.db2.gz IXVWKTUEGAZZJM-UHFFFAOYSA-N 2 0 294.443 1.374 20 30 CDEDRP CCNC(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000277291973 371215964 /nfs/dbraw/zinc/21/59/64/371215964.db2.gz KOPZHEVXRVWRCW-OAHLLOKOSA-N 2 0 290.411 1.202 20 30 CDEDRP COc1cc(CN2CC[C@@H](C[NH+](C)C)C2)ccc1C#N ZINC000282229398 375074230 /nfs/dbraw/zinc/07/42/30/375074230.db2.gz IKLWLDMGIOQHAN-AWEZNQCLSA-N 2 0 273.380 1.950 20 30 CDEDRP CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)N1CC[NH+](C)CC1 ZINC000248699638 377307487 /nfs/dbraw/zinc/30/74/87/377307487.db2.gz ABRYRAFXLKQKMQ-IKGGRYGDSA-N 2 0 292.471 1.930 20 30 CDEDRP C=CCOCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000339089418 391251173 /nfs/dbraw/zinc/25/11/73/391251173.db2.gz UXKCGYJKACBFBG-UHFFFAOYSA-N 2 0 295.471 1.539 20 30 CDEDRP CN(CCC#N)C(=O)CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000131724705 393069813 /nfs/dbraw/zinc/06/98/13/393069813.db2.gz YVEOUFCPIVRMKR-HNNXBMFYSA-N 2 0 294.443 1.555 20 30 CDEDRP C=CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000656787163 413665838 /nfs/dbraw/zinc/66/58/38/413665838.db2.gz FBBDWGHBOSCGQQ-CABCVRRESA-N 2 0 279.428 1.472 20 30 CDEDRP CC[NH+]1CCN([C@H]2CC[N@H+](CCCSCC#N)C2)CC1 ZINC000173889956 261172315 /nfs/dbraw/zinc/17/23/15/261172315.db2.gz HSMWIRHKAFNCMZ-HNNXBMFYSA-N 2 0 296.484 1.345 20 30 CDEDRP C=CC[NH+]1CCC(NC(NCc2cccn2C)=[NH+]C)CC1 ZINC000262763438 328151850 /nfs/dbraw/zinc/15/18/50/328151850.db2.gz FCCNPIGCNXTNLP-UHFFFAOYSA-N 2 0 289.427 1.341 20 30 CDEDRP COc1ccc(NC(=[NH2+])NCCN2CC=CCC2)cc1 ZINC000280032378 328234459 /nfs/dbraw/zinc/23/44/59/328234459.db2.gz PVHILOCGUNGLBX-UHFFFAOYSA-N 2 0 274.368 1.684 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000171452555 329076312 /nfs/dbraw/zinc/07/63/12/329076312.db2.gz LHEGGKRSIWPYFW-INIZCTEOSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)C(C)C ZINC000188725615 329370762 /nfs/dbraw/zinc/37/07/62/329370762.db2.gz BNLOYXRSZCTBJX-ZNMIVQPWSA-N 2 0 297.418 1.501 20 30 CDEDRP C#CCNC(NCC[N@@H+]1CCCC[C@H]1C)=[NH+]CC ZINC000262609286 330023055 /nfs/dbraw/zinc/02/30/55/330023055.db2.gz AJFMYCXSXFCSKU-CYBMUJFWSA-N 2 0 250.390 1.049 20 30 CDEDRP C#CCNC(NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)=[NH+]C ZINC000262631758 330023587 /nfs/dbraw/zinc/02/35/87/330023587.db2.gz LDCAOUOBOQVQOH-HIFRSBDPSA-N 2 0 264.417 1.295 20 30 CDEDRP C[NH+]=C(NC[C@H]1CCOC1)NCC1([NH+](C)C)CCCC1 ZINC000262787983 330031618 /nfs/dbraw/zinc/03/16/18/330031618.db2.gz JYDRDHHAICZSKU-CYBMUJFWSA-N 2 0 282.432 1.062 20 30 CDEDRP CC(C)(CNC(=[NH2+])NC1CCC1)C[NH+]1CCCC1 ZINC000263070734 330041953 /nfs/dbraw/zinc/04/19/53/330041953.db2.gz GSMKIIDQLPXJQQ-UHFFFAOYSA-N 2 0 252.406 1.565 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423096582 330169932 /nfs/dbraw/zinc/16/99/32/330169932.db2.gz PMIDPIKGNVJGON-KBXIAJHMSA-N 2 0 252.402 1.945 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]([NH3+])C1CCC1)C(C)C ZINC000423325220 330195541 /nfs/dbraw/zinc/19/55/41/330195541.db2.gz BOZSEKZUFCMGDW-HOTGVXAUSA-N 2 0 293.455 1.929 20 30 CDEDRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000424079286 330221458 /nfs/dbraw/zinc/22/14/58/330221458.db2.gz RAERHZWGLAOXBN-SMDDNHRTSA-N 2 0 274.368 1.344 20 30 CDEDRP CCC[NH+]1CCC(CNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424158582 330305564 /nfs/dbraw/zinc/30/55/64/330305564.db2.gz RHQKBUNOSDXQDW-AWEZNQCLSA-N 2 0 280.416 1.246 20 30 CDEDRP C#CCNC(=O)CC[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000491703326 332297367 /nfs/dbraw/zinc/29/73/67/332297367.db2.gz WUPQJFYKVZGMEA-HZPDHXFCSA-N 2 0 293.455 1.474 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000491795745 332354863 /nfs/dbraw/zinc/35/48/63/332354863.db2.gz WVKHCFMIDPKDDT-GJZGRUSLSA-N 2 0 294.443 1.114 20 30 CDEDRP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001754710821 1159438092 /nfs/dbraw/zinc/43/80/92/1159438092.db2.gz NJKNICHZEURGTG-RDJZCZTQSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087908553 1160283578 /nfs/dbraw/zinc/28/35/78/1160283578.db2.gz GCJYISZLCWBJNZ-OWCLPIDISA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C)([NH3+])CC2)CC1 ZINC000669464967 483173228 /nfs/dbraw/zinc/17/32/28/483173228.db2.gz RMVLFYBYUWYWMS-UHFFFAOYSA-N 2 0 294.443 1.550 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H]1C ZINC001088858136 1161022771 /nfs/dbraw/zinc/02/27/71/1161022771.db2.gz PPPAXFXHIYOIFX-ZNMIVQPWSA-N 2 0 277.412 1.073 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000334905502 526430493 /nfs/dbraw/zinc/43/04/93/526430493.db2.gz BNUBBIJYKISKNT-INIZCTEOSA-N 2 0 292.427 1.032 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H](CCC)[NH2+]C(C)C)CC1 ZINC000353314146 526444849 /nfs/dbraw/zinc/44/48/49/526444849.db2.gz LEJJWUNMHQFJLH-HNNXBMFYSA-N 2 0 281.444 1.920 20 30 CDEDRP CC(C)(CCC#N)C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000344262503 526997557 /nfs/dbraw/zinc/99/75/57/526997557.db2.gz OTLHBHJXTOAICS-CQSZACIVSA-N 2 0 294.443 1.493 20 30 CDEDRP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000981334446 612971714 /nfs/dbraw/zinc/97/17/14/612971714.db2.gz LMPABSTYYXBHQT-LSDHHAIUSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC)C2)CC1 ZINC000981539872 613131207 /nfs/dbraw/zinc/13/12/07/613131207.db2.gz ACRKBHYMLDNTMV-JKSUJKDBSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947614977 613222138 /nfs/dbraw/zinc/22/21/38/613222138.db2.gz BWZLXSQPPZXHIQ-HUUCEWRRSA-N 2 0 291.439 1.463 20 30 CDEDRP C=C(C)CC[NH+]1CC(N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC000951608718 613245112 /nfs/dbraw/zinc/24/51/12/613245112.db2.gz JRHLMVIDQPAKJQ-UHFFFAOYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971801018 613285685 /nfs/dbraw/zinc/28/56/85/613285685.db2.gz NOAWCWGVPITJLB-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC000971715348 613288128 /nfs/dbraw/zinc/28/81/28/613288128.db2.gz GDHOLBGYKAZPIS-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000969652385 613301897 /nfs/dbraw/zinc/30/18/97/613301897.db2.gz FCZVEJOBFIMERK-HOCLYGCPSA-N 2 0 293.455 1.872 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000947685230 613327096 /nfs/dbraw/zinc/32/70/96/613327096.db2.gz LZOXVKGIDFWEMJ-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000969451113 613348505 /nfs/dbraw/zinc/34/85/05/613348505.db2.gz KHNZZFLNGBNQBR-HZPDHXFCSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000968645274 613348883 /nfs/dbraw/zinc/34/88/83/613348883.db2.gz UFGGUOPZXWXFHV-HUUCEWRRSA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000971204543 613368681 /nfs/dbraw/zinc/36/86/81/613368681.db2.gz MHEOQPFORJWZDC-CHWSQXEVSA-N 2 0 285.819 1.366 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000981200186 613495667 /nfs/dbraw/zinc/49/56/67/613495667.db2.gz MBYUERLTQWEAEG-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948755998 613504752 /nfs/dbraw/zinc/50/47/52/613504752.db2.gz SJOWPFWRRZWQBT-MRXNPFEDSA-N 2 0 293.455 1.970 20 30 CDEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000969791474 613530436 /nfs/dbraw/zinc/53/04/36/613530436.db2.gz DLIOGAXVJZQSGY-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975052830 613543895 /nfs/dbraw/zinc/54/38/95/613543895.db2.gz RSVFVSIWMATDJH-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000972649859 613611604 /nfs/dbraw/zinc/61/16/04/613611604.db2.gz GBGDHMJIHLOZKX-MRXNPFEDSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000971673713 613618097 /nfs/dbraw/zinc/61/80/97/613618097.db2.gz JRRWCBBSKHAWRR-JKSUJKDBSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972485520 613631419 /nfs/dbraw/zinc/63/14/19/613631419.db2.gz LKOJEVYFXKVNSN-HOTGVXAUSA-N 2 0 293.455 1.968 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000971843069 613634227 /nfs/dbraw/zinc/63/42/27/613634227.db2.gz FTEQKWLQSMPVDD-JKSUJKDBSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000960264917 613840427 /nfs/dbraw/zinc/84/04/27/613840427.db2.gz JFYZKMCORUOEOC-CAOSSQGBSA-N 2 0 291.439 1.197 20 30 CDEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1C ZINC000960696520 613842215 /nfs/dbraw/zinc/84/22/15/613842215.db2.gz DTXODHSWMQCXJQ-ZSHCYNCHSA-N 2 0 296.374 1.489 20 30 CDEDRP C=C(C)C[NH+]1CCC(N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925609037 617552631 /nfs/dbraw/zinc/55/26/31/617552631.db2.gz NTYLCYPMOOUQPU-DZGCQCFKSA-N 2 0 251.418 1.757 20 30 CDEDRP CC(C)NC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000104178955 618055568 /nfs/dbraw/zinc/05/55/68/618055568.db2.gz BGQNIMUZHQZVOK-LBPRGKRZSA-N 2 0 254.422 1.810 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000908570772 628277343 /nfs/dbraw/zinc/27/73/43/628277343.db2.gz MTGOLTNCSNSUFC-UHFFFAOYSA-N 2 0 279.428 1.581 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CCC[N@@H+](CC)C[C@@H]1C ZINC000910277956 628951972 /nfs/dbraw/zinc/95/19/72/628951972.db2.gz BLLFXWNYXPCUQW-ZDUSSCGKSA-N 2 0 253.390 1.047 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130186502 1162565840 /nfs/dbraw/zinc/56/58/40/1162565840.db2.gz HQADVGKEMFZSMS-KGLIPLIRSA-N 2 0 265.401 1.285 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130622600 1162677037 /nfs/dbraw/zinc/67/70/37/1162677037.db2.gz QOFZYISBHOBCMN-UHFFFAOYSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001088381546 1160391753 /nfs/dbraw/zinc/39/17/53/1160391753.db2.gz GYABKJMOGGIEAN-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001113676429 1162252545 /nfs/dbraw/zinc/25/25/45/1162252545.db2.gz RVEJYYIHHVJLCH-UHFFFAOYSA-N 2 0 293.455 1.973 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132248185 1163210229 /nfs/dbraw/zinc/21/02/29/1163210229.db2.gz CRBJARMAVIAXDZ-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132311765 1163238456 /nfs/dbraw/zinc/23/84/56/1163238456.db2.gz XTYMMPRSNIMCRT-GJZGRUSLSA-N 2 0 293.455 1.567 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001133229009 1163609140 /nfs/dbraw/zinc/60/91/40/1163609140.db2.gz DTQAZJADDGVBFF-JKSUJKDBSA-N 2 0 295.471 1.979 20 30 CDEDRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001133834220 1163919453 /nfs/dbraw/zinc/91/94/53/1163919453.db2.gz RGVOWESZWVANFC-INIZCTEOSA-N 2 0 299.418 1.228 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845987 1163932468 /nfs/dbraw/zinc/93/24/68/1163932468.db2.gz RGXPBHWPRFMPSY-ZDUSSCGKSA-N 2 0 253.390 1.000 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001202528335 1165073729 /nfs/dbraw/zinc/07/37/29/1165073729.db2.gz CKNCVTJYBVAHBT-QGZVFWFLSA-N 2 0 293.455 1.315 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)[C@@](C)(C[NH3+])CC(C)C ZINC001574603900 1170995801 /nfs/dbraw/zinc/99/58/01/1170995801.db2.gz HHFSNVFCNVKPGE-OAHLLOKOSA-N 2 0 267.417 1.069 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@]2(C)C[C@@H]([NH3+])CCO2)CC1 ZINC001574836843 1171022285 /nfs/dbraw/zinc/02/22/85/1171022285.db2.gz VIUMVUZGVGWDOF-BBRMVZONSA-N 2 0 295.427 1.040 20 30 CDEDRP C=CC1(CC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C[NH2+]C1 ZINC001574881097 1171036531 /nfs/dbraw/zinc/03/65/31/1171036531.db2.gz ZRTJNRACQIDFLQ-CQSZACIVSA-N 2 0 277.412 1.239 20 30 CDEDRP C=CC[C@H](C(=O)OC)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC001574887945 1171037119 /nfs/dbraw/zinc/03/71/19/1171037119.db2.gz DOYCIVHJIZHWDF-IUODEOHRSA-N 2 0 268.401 1.801 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001732090713 1182759663 /nfs/dbraw/zinc/75/96/63/1182759663.db2.gz SKENFBGEXIZNCZ-UONOGXRCSA-N 2 0 290.411 1.745 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001753459073 1184544434 /nfs/dbraw/zinc/54/44/34/1184544434.db2.gz LAGGVTGOCPPVRT-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CCC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001752998152 1184988589 /nfs/dbraw/zinc/98/85/89/1184988589.db2.gz ZXJUASBHTDLRCD-HNNXBMFYSA-N 2 0 279.428 1.274 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001753639082 1185281517 /nfs/dbraw/zinc/28/15/17/1185281517.db2.gz ZYUAMUACGWAVSG-CYBMUJFWSA-N 2 0 265.401 1.000 20 30 CDEDRP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001753809079 1185341239 /nfs/dbraw/zinc/34/12/39/1185341239.db2.gz JKCNXWCUIIJVKQ-GOEBONIOSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001753815438 1185342461 /nfs/dbraw/zinc/34/24/61/1185342461.db2.gz NFCUVVABYLCEHX-CABCVRRESA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH2+]C/C=C/CNC(=O)CCC[NH+]1CCCCC1 ZINC001754208245 1185504026 /nfs/dbraw/zinc/50/40/26/1185504026.db2.gz ZHXKWSSUWHUBHZ-SNAWJCMRSA-N 2 0 277.412 1.148 20 30 CDEDRP C#CC[NH2+]C/C=C\CNC(=O)CCC[NH+]1CCCCC1 ZINC001754208244 1185504045 /nfs/dbraw/zinc/50/40/45/1185504045.db2.gz ZHXKWSSUWHUBHZ-PLNGDYQASA-N 2 0 277.412 1.148 20 30 CDEDRP C=C(C)CC[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001754337187 1185586175 /nfs/dbraw/zinc/58/61/75/1185586175.db2.gz TYCUTXAIVMVYCC-AWEZNQCLSA-N 2 0 269.433 1.729 20 30 CDEDRP C#CCN(C(=O)Cc1cnc[nH]1)C1CC[NH+](CCC)CC1 ZINC001754640898 1185690764 /nfs/dbraw/zinc/69/07/64/1185690764.db2.gz IUUWTEZFXUOKAU-UHFFFAOYSA-N 2 0 288.395 1.288 20 30 CDEDRP C=CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001755069252 1185805161 /nfs/dbraw/zinc/80/51/61/1185805161.db2.gz QDFWBUWYKYHWLF-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001755205849 1185852556 /nfs/dbraw/zinc/85/25/56/1185852556.db2.gz ZJRMOLILMIJDLG-HOTGVXAUSA-N 2 0 293.455 1.685 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001755267504 1185883902 /nfs/dbraw/zinc/88/39/02/1185883902.db2.gz BLOJJVRLXPVWEU-UONOGXRCSA-N 2 0 269.433 1.776 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001755676508 1186034191 /nfs/dbraw/zinc/03/41/91/1186034191.db2.gz QFNVLBAYWSCHLM-KGLIPLIRSA-N 2 0 279.428 1.626 20 30 CDEDRP CCCCCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133863700 1163937550 /nfs/dbraw/zinc/93/75/50/1163937550.db2.gz OGLTUGKQSLLJJU-GJZGRUSLSA-N 2 0 283.460 1.860 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134020696 1164006410 /nfs/dbraw/zinc/00/64/10/1164006410.db2.gz FWSLUNMZZOAABS-OAHLLOKOSA-N 2 0 297.443 1.159 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001028537086 751392018 /nfs/dbraw/zinc/39/20/18/751392018.db2.gz HARUORFMJKFDMC-JKSUJKDBSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014475663 751441405 /nfs/dbraw/zinc/44/14/05/751441405.db2.gz MIIRGOCRAAQKIS-MGPQQGTHSA-N 2 0 265.401 1.093 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001000991661 751452455 /nfs/dbraw/zinc/45/24/55/751452455.db2.gz JMQFZDYEQIUVES-MRXNPFEDSA-N 2 0 299.418 1.576 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001016969168 751512089 /nfs/dbraw/zinc/51/20/89/751512089.db2.gz JWKNILHNTZNVKK-UONOGXRCSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3cncn3C)C2)C1 ZINC001041786408 751756031 /nfs/dbraw/zinc/75/60/31/751756031.db2.gz GMOMOFVXAVWDNB-MRXNPFEDSA-N 2 0 288.395 1.073 20 30 CDEDRP C[C@H]1CCC[N@H+](CCCCNC2=[NH+]CCN2C)C1 ZINC000848990050 751810750 /nfs/dbraw/zinc/81/07/50/751810750.db2.gz VHDJJITZGXAJQP-ZDUSSCGKSA-N 2 0 252.406 1.390 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCCOC ZINC000303986402 751833075 /nfs/dbraw/zinc/83/30/75/751833075.db2.gz UKXSFAMFABCOTH-CYBMUJFWSA-N 2 0 270.421 1.192 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)CCOC ZINC000305817740 751845308 /nfs/dbraw/zinc/84/53/08/751845308.db2.gz NERHWLXAMLLWNR-CYBMUJFWSA-N 2 0 284.448 1.438 20 30 CDEDRP CCC(CC)[C@H](CNC(=[NH2+])N1CCOCC1)[NH+]1CCCC1 ZINC000303780876 751862446 /nfs/dbraw/zinc/86/24/46/751862446.db2.gz LUIOMAMGANUFCQ-HNNXBMFYSA-N 2 0 296.459 1.534 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1Cc2ccccc21 ZINC000303902122 751869386 /nfs/dbraw/zinc/86/93/86/751869386.db2.gz XQGDNLMOEAMKGL-LSDHHAIUSA-N 2 0 286.423 1.715 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075619541 751881899 /nfs/dbraw/zinc/88/18/99/751881899.db2.gz HFUVFKHSDSHVHH-SOUVJXGZSA-N 2 0 277.412 1.189 20 30 CDEDRP COc1ccc(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1C#N ZINC000925616568 751895506 /nfs/dbraw/zinc/89/55/06/751895506.db2.gz NFCFQKYPRVNEGY-VSICPBCXSA-N 2 0 283.375 1.653 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001054734798 751921849 /nfs/dbraw/zinc/92/18/49/751921849.db2.gz DDBYBPGGMNLZSE-HIFRSBDPSA-N 2 0 279.428 1.483 20 30 CDEDRP C[C@](C[NH3+])([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000923296234 752111462 /nfs/dbraw/zinc/11/14/62/752111462.db2.gz PWEOEZXMJJYMAH-GOEBONIOSA-N 2 0 289.379 1.015 20 30 CDEDRP C=CCOCC[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001202531467 1165203814 /nfs/dbraw/zinc/20/38/14/1165203814.db2.gz GXRLQCDWYNXTSY-HNNXBMFYSA-N 2 0 297.443 1.110 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000856479380 752118838 /nfs/dbraw/zinc/11/88/38/752118838.db2.gz KXIJGPKAOMXQMU-OAHLLOKOSA-N 2 0 279.428 1.342 20 30 CDEDRP C[C@H](C#N)OCCN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000801926380 749546625 /nfs/dbraw/zinc/54/66/25/749546625.db2.gz XGIGSIKEUDWMST-HIFRSBDPSA-N 2 0 265.401 1.579 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033476797 749802732 /nfs/dbraw/zinc/80/27/32/749802732.db2.gz XUSMUNUJBCSXPJ-MRXNPFEDSA-N 2 0 293.455 1.827 20 30 CDEDRP CCC(CC)[C@H](C[NH+]=C(N(C)C)N(C)C)[NH+](C)C ZINC000303784837 749889925 /nfs/dbraw/zinc/88/99/25/749889925.db2.gz PTNTVHZSHJMLME-ZDUSSCGKSA-N 2 0 256.438 1.832 20 30 CDEDRP C=CCNC(=[NH2+])NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000066245712 749939723 /nfs/dbraw/zinc/93/97/23/749939723.db2.gz DSRRCAGCGINYAH-TZMCWYRMSA-N 2 0 252.406 1.587 20 30 CDEDRP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000985801673 749984027 /nfs/dbraw/zinc/98/40/27/749984027.db2.gz IAEYPSHHNFVXFC-INIZCTEOSA-N 2 0 291.439 1.417 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)CC ZINC000190534570 749998056 /nfs/dbraw/zinc/99/80/56/749998056.db2.gz DCGTXMOOVHSIFQ-GFCCVEGCSA-N 2 0 254.422 1.811 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000989518978 750056439 /nfs/dbraw/zinc/05/64/39/750056439.db2.gz JKNZYCQKHRUUMJ-GOEBONIOSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001001420089 750334486 /nfs/dbraw/zinc/33/44/86/750334486.db2.gz FDMGZINNSUAVRO-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001049038437 750357884 /nfs/dbraw/zinc/35/78/84/750357884.db2.gz HJWSQHFHUCPWTD-OWCLPIDISA-N 2 0 293.455 1.539 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001006919771 750634054 /nfs/dbraw/zinc/63/40/54/750634054.db2.gz UZKGRSCKIOAJCT-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023088921 750788625 /nfs/dbraw/zinc/78/86/25/750788625.db2.gz PEURBJGFIMDXHA-TXEJJXNPSA-N 2 0 271.792 1.072 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCSC ZINC000304739541 750808327 /nfs/dbraw/zinc/80/83/27/750808327.db2.gz XGZVFTDKGXVODH-LLVKDONJSA-N 2 0 258.435 1.128 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC000989829300 750843509 /nfs/dbraw/zinc/84/35/09/750843509.db2.gz RAUOYTDPMNZOJD-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997422928 750865343 /nfs/dbraw/zinc/86/53/43/750865343.db2.gz ANSPUAMUXJMEGQ-ZBFHGGJFSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001018848660 750996386 /nfs/dbraw/zinc/99/63/86/750996386.db2.gz HQPXUFFZIFCCDS-AWEZNQCLSA-N 2 0 279.428 1.627 20 30 CDEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=[NH2+])N2CCCCCC2)C1 ZINC000305049302 751217308 /nfs/dbraw/zinc/21/73/08/751217308.db2.gz GOAXWEDUJYSGFW-OAHLLOKOSA-N 2 0 296.459 1.534 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ccnc1 ZINC001049930285 751275018 /nfs/dbraw/zinc/27/50/18/751275018.db2.gz FDYPMNKGDDCBMK-ZIAGYGMSSA-N 2 0 274.368 1.134 20 30 CDEDRP CC#CC[NH+]1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001006412554 751303592 /nfs/dbraw/zinc/30/35/92/751303592.db2.gz GXCQVZZTRVYZOZ-UHFFFAOYSA-N 2 0 277.412 1.028 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCCC[NH+](CCC)CCC ZINC000303875337 751330667 /nfs/dbraw/zinc/33/06/67/751330667.db2.gz HOXSBRQITWFLLB-UHFFFAOYSA-N 2 0 254.422 1.979 20 30 CDEDRP N#CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817917453 752488382 /nfs/dbraw/zinc/48/83/82/752488382.db2.gz GVXYZXRMXUFKBZ-ZFWWWQNUSA-N 2 0 259.353 1.806 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000997188055 752512610 /nfs/dbraw/zinc/51/26/10/752512610.db2.gz YIBWVVUCAJZZFF-GOEBONIOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001001417853 752624109 /nfs/dbraw/zinc/62/41/09/752624109.db2.gz GINPMILIFGYVNF-UKRRQHHQSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001014628570 752641052 /nfs/dbraw/zinc/64/10/52/752641052.db2.gz IYDGYHBCXZYDRU-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP CN(C)C(=[NH2+])NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000187055946 752671262 /nfs/dbraw/zinc/67/12/62/752671262.db2.gz UFFIAOZRRRAQTL-OAHLLOKOSA-N 2 0 274.412 1.773 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024761902 752684125 /nfs/dbraw/zinc/68/41/25/752684125.db2.gz LFCKGMPPPSRLHQ-HNNXBMFYSA-N 2 0 289.423 1.076 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001016827520 752738212 /nfs/dbraw/zinc/73/82/12/752738212.db2.gz WVIAIPYYPBCCFE-LSDHHAIUSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3nccn32)C1 ZINC000999366795 753012278 /nfs/dbraw/zinc/01/22/78/753012278.db2.gz CLLITZVAFQMJET-KGLIPLIRSA-N 2 0 288.395 1.527 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001003159668 753090372 /nfs/dbraw/zinc/09/03/72/753090372.db2.gz MSVOZRCQELIITR-HNNXBMFYSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001041688298 753106767 /nfs/dbraw/zinc/10/67/67/753106767.db2.gz SWVMTGLFKSZNBK-RDJZCZTQSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025520161 753114651 /nfs/dbraw/zinc/11/46/51/753114651.db2.gz BFXOFDKOURSALQ-ZBFHGGJFSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001034397725 753252248 /nfs/dbraw/zinc/25/22/48/753252248.db2.gz KPWVHAOSUZAZKJ-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH+]1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001005712650 753368354 /nfs/dbraw/zinc/36/83/54/753368354.db2.gz GSBOCVDPRXLUJW-UHFFFAOYSA-N 2 0 296.374 1.504 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001022279138 753397469 /nfs/dbraw/zinc/39/74/69/753397469.db2.gz UMLRWZVOZDPDOM-XGUBFFRZSA-N 2 0 277.412 1.426 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC(=C)C)C1 ZINC001033159879 753469008 /nfs/dbraw/zinc/46/90/08/753469008.db2.gz AXBOHNWYGJFDIQ-CVEARBPZSA-N 2 0 289.423 1.193 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049480861 753562300 /nfs/dbraw/zinc/56/23/00/753562300.db2.gz GTLXNGCQCUJXOU-LVQVYYBASA-N 2 0 291.439 1.578 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000989189792 753565965 /nfs/dbraw/zinc/56/59/65/753565965.db2.gz UKBSJJZTCVTARP-GXTWGEPZSA-N 2 0 284.363 1.713 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC=C)[C@@H]2C)CC1 ZINC000987574745 753631464 /nfs/dbraw/zinc/63/14/64/753631464.db2.gz GVLZTQGDIZKOKE-GOEBONIOSA-N 2 0 289.423 1.097 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001044766239 753646929 /nfs/dbraw/zinc/64/69/29/753646929.db2.gz JNPHWZTURXINDN-GOEBONIOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001019652793 753758605 /nfs/dbraw/zinc/75/86/05/753758605.db2.gz WQCIXUBCYYDNHD-OLZOCXBDSA-N 2 0 285.819 1.271 20 30 CDEDRP CC(C)C[C@H](CNC(=[NH2+])N1CCCCC1)[NH+](C)C ZINC000303788842 753806232 /nfs/dbraw/zinc/80/62/32/753806232.db2.gz UUZRGBIXSDLHHR-CYBMUJFWSA-N 2 0 254.422 1.763 20 30 CDEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001072953359 753808512 /nfs/dbraw/zinc/80/85/12/753808512.db2.gz ZWSQFNRNNMSRNO-OAHLLOKOSA-N 2 0 291.439 1.130 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000996664690 753829408 /nfs/dbraw/zinc/82/94/08/753829408.db2.gz HJPIUQSCFASCHR-UHFFFAOYSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H]1C ZINC001089060882 912551232 /nfs/dbraw/zinc/55/12/32/912551232.db2.gz LMOSRSCXYOMOJO-PMPSAXMXSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001168426513 912652296 /nfs/dbraw/zinc/65/22/96/912652296.db2.gz ZXBPDHLQINGZKM-UHFFFAOYSA-N 2 0 275.396 1.644 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC001121944397 913276359 /nfs/dbraw/zinc/27/63/59/913276359.db2.gz QTHWDNNWSUJNMU-VXGBXAGGSA-N 2 0 253.390 1.174 20 30 CDEDRP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001175047926 913442278 /nfs/dbraw/zinc/44/22/78/913442278.db2.gz DPGPMBAQHLNNPQ-HNNXBMFYSA-N 2 0 299.459 1.405 20 30 CDEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001106312349 913852311 /nfs/dbraw/zinc/85/23/11/913852311.db2.gz CYLKMAFNIAIRMC-BZUAXINKSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001282486943 894457368 /nfs/dbraw/zinc/45/73/68/894457368.db2.gz RUKAPZOEYZNPNJ-CHWSQXEVSA-N 2 0 255.406 1.195 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001167179857 894815545 /nfs/dbraw/zinc/81/55/45/894815545.db2.gz UFMUCCIOQMTTNP-HNNXBMFYSA-N 2 0 293.455 1.616 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001167235886 894929181 /nfs/dbraw/zinc/92/91/81/894929181.db2.gz BXHWGVGAPFZRGJ-CABCVRRESA-N 2 0 291.439 1.084 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216384082 896774047 /nfs/dbraw/zinc/77/40/47/896774047.db2.gz XDYYOTDHJLDVSX-QLFBSQMISA-N 2 0 279.428 1.341 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001167636691 897128084 /nfs/dbraw/zinc/12/80/84/897128084.db2.gz YAFRGUCJBKUBPZ-OAHLLOKOSA-N 2 0 279.428 1.369 20 30 CDEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176563970 914181093 /nfs/dbraw/zinc/18/10/93/914181093.db2.gz IZFXYMLVXOQWBJ-LSDHHAIUSA-N 2 0 279.428 1.226 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001020025672 899236978 /nfs/dbraw/zinc/23/69/78/899236978.db2.gz XZODAZQQIRJOBJ-SRVKXCTJSA-N 2 0 271.792 1.070 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176992513 914421314 /nfs/dbraw/zinc/42/13/14/914421314.db2.gz SAGDTZFHWMRMQS-OAHLLOKOSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(-n2nnc(CC[NH3+])n2)cc1 ZINC001167793027 900812533 /nfs/dbraw/zinc/81/25/33/900812533.db2.gz TUOLLFHNXKKPAP-HNNXBMFYSA-N 2 0 298.394 1.486 20 30 CDEDRP C[C@H](CNC(=[NH2+])N1CCSCC1)[N@@H+]1CCCC[C@H]1C ZINC000262026764 904839700 /nfs/dbraw/zinc/83/97/00/904839700.db2.gz ZRBZVXJRJHDLMJ-CHWSQXEVSA-N 2 0 284.473 1.613 20 30 CDEDRP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001270770496 905027536 /nfs/dbraw/zinc/02/75/36/905027536.db2.gz UPJYHZAPUZWZEI-GDBMZVCRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088170492 906407297 /nfs/dbraw/zinc/40/72/97/906407297.db2.gz TVQOYXYRGOAJTL-OAGGEKHMSA-N 2 0 291.439 1.295 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001205415901 921239908 /nfs/dbraw/zinc/23/99/08/921239908.db2.gz QEJSFCMXDCTVAP-OAHLLOKOSA-N 2 0 299.434 1.681 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001227867502 906704076 /nfs/dbraw/zinc/70/40/76/906704076.db2.gz HHTCRTKAVCUTSH-INIZCTEOSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000985500190 906720353 /nfs/dbraw/zinc/72/03/53/906720353.db2.gz CJVHSWCFARLEDN-OAHLLOKOSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CCOCCOCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168366782 909913210 /nfs/dbraw/zinc/91/32/10/909913210.db2.gz ZRYYXGBSWNKNCA-UHFFFAOYSA-N 2 0 280.412 1.117 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171540267 910800739 /nfs/dbraw/zinc/80/07/39/910800739.db2.gz XUGHZIVKSZKXLS-JKSUJKDBSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC001120456138 911952594 /nfs/dbraw/zinc/95/25/94/911952594.db2.gz PJYRPGVLWHJTHX-RWMBFGLXSA-N 2 0 253.390 1.304 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001178698861 915585880 /nfs/dbraw/zinc/58/58/80/915585880.db2.gz XJJGNOABAMIZFK-MRXNPFEDSA-N 2 0 293.455 1.616 20 30 CDEDRP CC(C)CNC(=[NH2+])NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000303892620 935047671 /nfs/dbraw/zinc/04/76/71/935047671.db2.gz NSWYEVVBRNMCSB-ZIAGYGMSSA-N 2 0 268.449 1.915 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032044075 917639201 /nfs/dbraw/zinc/63/92/01/917639201.db2.gz PLGUTGIHSXSSNU-LSDHHAIUSA-N 2 0 277.412 1.237 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001182473559 917910537 /nfs/dbraw/zinc/91/05/37/917910537.db2.gz UTRRFKXXDJTWHY-HUUCEWRRSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203577020 918688032 /nfs/dbraw/zinc/68/80/32/918688032.db2.gz MPPAIDWFYKMKJL-CABCVRRESA-N 2 0 293.455 1.921 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)C[N@@H+](C)CCCCCC ZINC001168615718 919511915 /nfs/dbraw/zinc/51/19/15/919511915.db2.gz STGDECZKKWJODT-UHFFFAOYSA-N 2 0 281.444 1.618 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001032731831 919859388 /nfs/dbraw/zinc/85/93/88/919859388.db2.gz QVXRNJMFMVYLSC-PMPSAXMXSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001078718504 920426951 /nfs/dbraw/zinc/42/69/51/920426951.db2.gz QWIVJWRXXIDLRL-LSDHHAIUSA-N 2 0 291.439 1.531 20 30 CDEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001190493564 922047508 /nfs/dbraw/zinc/04/75/08/922047508.db2.gz ZUGDCJHRGPROKJ-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001034217082 922547388 /nfs/dbraw/zinc/54/73/88/922547388.db2.gz OPCBLJGUIVZPRT-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099120897 936779784 /nfs/dbraw/zinc/77/97/84/936779784.db2.gz JSFPWCHTGKJJSH-YOEHRIQHSA-N 2 0 289.423 1.239 20 30 CDEDRP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035258329 922937518 /nfs/dbraw/zinc/93/75/18/922937518.db2.gz LZSILQGXXQWTBZ-OAHLLOKOSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001192190769 922938582 /nfs/dbraw/zinc/93/85/82/922938582.db2.gz RYNBINPTBQHSGN-LSDHHAIUSA-N 2 0 281.444 1.681 20 30 CDEDRP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001080448840 924564745 /nfs/dbraw/zinc/56/47/45/924564745.db2.gz DDTNUHZQDYGOJJ-RRFJBIMHSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001080456254 924575987 /nfs/dbraw/zinc/57/59/87/924575987.db2.gz VTDVDLDNXJTIDV-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001100900102 936944049 /nfs/dbraw/zinc/94/40/49/936944049.db2.gz QDQODFSCRYTUQP-UHFFFAOYSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100984433 936951036 /nfs/dbraw/zinc/95/10/36/936951036.db2.gz KOEKQXXUKQMICC-UHFFFAOYSA-N 2 0 265.401 1.143 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001082558518 924957085 /nfs/dbraw/zinc/95/70/85/924957085.db2.gz VQRKSZXSJTYHTL-OWCLPIDISA-N 2 0 291.439 1.319 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084231903 925196055 /nfs/dbraw/zinc/19/60/55/925196055.db2.gz OPFBVDYNDWUMRQ-BZUAXINKSA-N 2 0 291.439 1.580 20 30 CDEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102314697 937051967 /nfs/dbraw/zinc/05/19/67/937051967.db2.gz VXVHDZISTGYROP-DGCLKSJQSA-N 2 0 287.835 1.375 20 30 CDEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102371708 937055450 /nfs/dbraw/zinc/05/54/50/937055450.db2.gz PRBKNEKFDANGRD-BZUAXINKSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001201328038 926267149 /nfs/dbraw/zinc/26/71/49/926267149.db2.gz UOTOAJUXMDZWEV-UHFFFAOYSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001085779308 926387669 /nfs/dbraw/zinc/38/76/69/926387669.db2.gz RSMAVLWFAVBTRJ-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001568466500 1169301769 /nfs/dbraw/zinc/30/17/69/1169301769.db2.gz AEQNWMFOTUXJTI-KBPBESRZSA-N 2 0 267.417 1.080 20 30 CDEDRP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001150547877 937237002 /nfs/dbraw/zinc/23/70/02/937237002.db2.gz ZCQAKTUWVCWSNC-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086550401 929327158 /nfs/dbraw/zinc/32/71/58/929327158.db2.gz HTCKUZIGPKEIRG-JHJVBQTASA-N 2 0 285.819 1.175 20 30 CDEDRP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CC ZINC001115080903 937324026 /nfs/dbraw/zinc/32/40/26/937324026.db2.gz HHTWKUOYKFUIDQ-LJIGWXMPSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C[C@@H](C)n1ccnc1 ZINC001134498837 929774399 /nfs/dbraw/zinc/77/43/99/929774399.db2.gz PNXRCNITGIFRSA-UONOGXRCSA-N 2 0 278.400 1.895 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001170784045 929995334 /nfs/dbraw/zinc/99/53/34/929995334.db2.gz CVDPLPZDLTVTLK-OAHLLOKOSA-N 2 0 281.444 1.923 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135102275 930052714 /nfs/dbraw/zinc/05/27/14/930052714.db2.gz BNWRFTPTAKPNQL-GJZGRUSLSA-N 2 0 279.428 1.675 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135923818 930543992 /nfs/dbraw/zinc/54/39/92/930543992.db2.gz NRBGLCFDQIDGAK-KGLIPLIRSA-N 2 0 285.432 1.014 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135977249 930586607 /nfs/dbraw/zinc/58/66/07/930586607.db2.gz QSOUMCSUJIZTPU-LSDHHAIUSA-N 2 0 281.444 1.615 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153315143 937438479 /nfs/dbraw/zinc/43/84/79/937438479.db2.gz YOWKJMGINVZWSI-UHFFFAOYSA-N 2 0 281.444 1.925 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)CN(C)Cc1ccccc1 ZINC001153314836 937438720 /nfs/dbraw/zinc/43/87/20/937438720.db2.gz QDGUYXKXZVBCOB-UHFFFAOYSA-N 2 0 295.814 1.577 20 30 CDEDRP C[Si](C)(C)C#Cc1ccnc(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001159789418 930858172 /nfs/dbraw/zinc/85/81/72/930858172.db2.gz TUMCXIWQSYGSSR-ZDUSSCGKSA-N 2 0 276.460 1.746 20 30 CDEDRP C[NH+]=C(NCCCC[N@@H+]1CCC[C@H](C)C1)NC1CC1 ZINC000103337957 931295770 /nfs/dbraw/zinc/29/57/70/931295770.db2.gz WWJSAQSFUADYTB-ZDUSSCGKSA-N 2 0 266.433 1.826 20 30 CDEDRP C=CCC(C)(C)C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+] ZINC001144078228 931649160 /nfs/dbraw/zinc/64/91/60/931649160.db2.gz ZBHCXEVRZYZMQN-UHFFFAOYSA-N 2 0 268.405 1.653 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146338424 932236434 /nfs/dbraw/zinc/23/64/34/932236434.db2.gz GFWMJQIUIHWRNO-UONOGXRCSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146704729 932281564 /nfs/dbraw/zinc/28/15/64/932281564.db2.gz HUVWJQTXUKSHHV-UHFFFAOYSA-N 2 0 269.433 1.780 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154894346 937601077 /nfs/dbraw/zinc/60/10/77/937601077.db2.gz MMQILQWVBXHBLN-CYBMUJFWSA-N 2 0 267.417 1.341 20 30 CDEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110953643 933192043 /nfs/dbraw/zinc/19/20/43/933192043.db2.gz BHACBZFIVKTPCO-KFWWJZLASA-N 2 0 291.439 1.626 20 30 CDEDRP C=C[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001253597585 935312652 /nfs/dbraw/zinc/31/26/52/935312652.db2.gz GAMZWRITKRAHRF-HOTGVXAUSA-N 2 0 260.381 1.645 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001007327184 935379842 /nfs/dbraw/zinc/37/98/42/935379842.db2.gz LQDVMIMMVASJBV-CVEARBPZSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015970110 935597531 /nfs/dbraw/zinc/59/75/31/935597531.db2.gz IVPUSTVYSGYEAD-INIZCTEOSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=C)C)C2)CC1 ZINC001016330760 935611662 /nfs/dbraw/zinc/61/16/62/935611662.db2.gz GZDDAGBFZRZCIC-MRXNPFEDSA-N 2 0 289.423 1.098 20 30 CDEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001041296783 935797429 /nfs/dbraw/zinc/79/74/29/935797429.db2.gz JSQDAZUYBDSPQO-INMHGKMJSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001095963097 935847383 /nfs/dbraw/zinc/84/73/83/935847383.db2.gz USVXKDUTTIVMMC-ILXRZTDVSA-N 2 0 277.412 1.236 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H](C)C1 ZINC001044629618 935866751 /nfs/dbraw/zinc/86/67/51/935866751.db2.gz NTZSFGOQFMIUII-UONOGXRCSA-N 2 0 277.412 1.073 20 30 CDEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001096348233 936047910 /nfs/dbraw/zinc/04/79/10/936047910.db2.gz GONYVDVRUYOKGK-WCVJEAGWSA-N 2 0 289.423 1.073 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[C@@H]([NH3+])C(C)(C)C)CC1 ZINC001121919794 937890371 /nfs/dbraw/zinc/89/03/71/937890371.db2.gz GEZDHPLBRKCQKX-CYBMUJFWSA-N 2 0 267.417 1.517 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC001121997851 937897728 /nfs/dbraw/zinc/89/77/28/937897728.db2.gz JVCSAQHNNHQMKL-UONOGXRCSA-N 2 0 265.401 1.271 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC001122004975 937898525 /nfs/dbraw/zinc/89/85/25/937898525.db2.gz UDGINLZQJXGYFX-ZIAGYGMSSA-N 2 0 267.417 1.661 20 30 CDEDRP C#C[C@](C)([NH3+])C(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001158968685 938682902 /nfs/dbraw/zinc/68/29/02/938682902.db2.gz WHKOYCCTZWIZFW-INIZCTEOSA-N 2 0 289.423 1.204 20 30 CDEDRP N#Cc1cc(Cl)nnc1-n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001160946034 938847642 /nfs/dbraw/zinc/84/76/42/938847642.db2.gz SMDYAHYFMVTEEA-UHFFFAOYSA-N 2 0 298.737 1.842 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H]1CNc1ncc2c(n1)C[NH2+]C2 ZINC001160954536 938850020 /nfs/dbraw/zinc/85/00/20/938850020.db2.gz XFIWWWDGSQGPBJ-LBPRGKRZSA-N 2 0 259.357 1.142 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)N(C)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC001161060258 938867498 /nfs/dbraw/zinc/86/74/98/938867498.db2.gz AQKHBMCDYUDEOC-SCRDCRAPSA-N 2 0 251.374 1.023 20 30 CDEDRP C=CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1CCCCC1 ZINC001161248174 938882947 /nfs/dbraw/zinc/88/29/47/938882947.db2.gz RWXHOHLZFFLQOC-ZDUSSCGKSA-N 2 0 285.457 1.353 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ncc(C)cc1/C=N/O ZINC001163128401 939206408 /nfs/dbraw/zinc/20/64/08/939206408.db2.gz JXHKWXOGYWTHKF-VCHYOVAHSA-N 2 0 292.387 1.476 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(CC#N)ccn1 ZINC001163129393 939208059 /nfs/dbraw/zinc/20/80/59/939208059.db2.gz VYNCWTLHNYKIIJ-UHFFFAOYSA-N 2 0 274.372 1.426 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203325230 939682952 /nfs/dbraw/zinc/68/29/52/939682952.db2.gz KQDYQNYXPYSWQF-HUUCEWRRSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206164241 939989008 /nfs/dbraw/zinc/98/90/08/939989008.db2.gz JVTKAQNNNFEFHY-HZPDHXFCSA-N 2 0 276.355 1.960 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207610199 940221059 /nfs/dbraw/zinc/22/10/59/940221059.db2.gz NYSJZVHXJRXKOV-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207684426 940230405 /nfs/dbraw/zinc/23/04/05/940230405.db2.gz NZKJVYMLUNEGDZ-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001209250941 940452718 /nfs/dbraw/zinc/45/27/18/940452718.db2.gz KFBOTPLZKVABLE-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209407844 940585342 /nfs/dbraw/zinc/58/53/42/940585342.db2.gz GGOUSABDKDRMHS-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001209588819 940613340 /nfs/dbraw/zinc/61/33/40/940613340.db2.gz KARKEZISDBRMLO-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP N#Cc1cccc(N)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210271576 940677792 /nfs/dbraw/zinc/67/77/92/940677792.db2.gz UZONDCVSUMYABJ-UHFFFAOYSA-N 2 0 294.362 1.689 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210683849 940706087 /nfs/dbraw/zinc/70/60/87/940706087.db2.gz CKVMIGDZEVNNNA-HNNXBMFYSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211031357 940726026 /nfs/dbraw/zinc/72/60/26/940726026.db2.gz DDRSNJGNPYFUNB-QLFBSQMISA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211073522 940728110 /nfs/dbraw/zinc/72/81/10/940728110.db2.gz HXXKEENXLNHZJL-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211268900 940744582 /nfs/dbraw/zinc/74/45/82/940744582.db2.gz LPBFAKKSJMPDAA-CQSZACIVSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211300010 940746644 /nfs/dbraw/zinc/74/66/44/940746644.db2.gz HDOYKNZYKWPDEV-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211374565 940751130 /nfs/dbraw/zinc/75/11/30/940751130.db2.gz ITPZQACYJCRWDB-BZUAXINKSA-N 2 0 293.455 1.729 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001214780391 940839292 /nfs/dbraw/zinc/83/92/92/940839292.db2.gz XXWWMRVNALMFGD-BZUAXINKSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214855881 940841171 /nfs/dbraw/zinc/84/11/71/940841171.db2.gz QGDRLFHAFRGOHI-YUELXQCFSA-N 2 0 279.428 1.339 20 30 CDEDRP N#C[C@H]1C[NH2+]C[C@H]1OCCCCC1CC[NH2+]CC1 ZINC001217832620 941022349 /nfs/dbraw/zinc/02/23/49/941022349.db2.gz PORBSWKTCXRWDQ-UONOGXRCSA-N 2 0 251.374 1.284 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219649645 941369835 /nfs/dbraw/zinc/36/98/35/941369835.db2.gz KRNOJZPQSFUWJH-GXTWGEPZSA-N 2 0 265.401 1.000 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001224560852 941770873 /nfs/dbraw/zinc/77/08/73/941770873.db2.gz YEYCEZYHQNKQFG-HNNXBMFYSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001227807606 942230658 /nfs/dbraw/zinc/23/06/58/942230658.db2.gz UWBYAKUKDWHKMC-UHFFFAOYSA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228271124 942287175 /nfs/dbraw/zinc/28/71/75/942287175.db2.gz ZTKBEWVSIANSOE-HUUCEWRRSA-N 2 0 279.428 1.369 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001230355030 942610667 /nfs/dbraw/zinc/61/06/67/942610667.db2.gz QJQXXQUFSLDNTO-UHFFFAOYSA-N 2 0 277.412 1.076 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001316614793 942625794 /nfs/dbraw/zinc/62/57/94/942625794.db2.gz IGQDFDBYHDPHPM-VNQPRFMTSA-N 2 0 291.439 1.389 20 30 CDEDRP COc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001231618371 942945554 /nfs/dbraw/zinc/94/55/54/942945554.db2.gz GYDFWLNJSQPAPG-ZBFHGGJFSA-N 2 0 285.391 1.950 20 30 CDEDRP C#C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC001232362488 943243542 /nfs/dbraw/zinc/24/35/42/943243542.db2.gz WYOLDPYPCBYFIZ-MRXNPFEDSA-N 2 0 298.434 1.679 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC001263103030 943745265 /nfs/dbraw/zinc/74/52/65/943745265.db2.gz LSKNABYQCHUGLX-BZPMIXESSA-N 2 0 265.401 1.411 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001235513250 944181065 /nfs/dbraw/zinc/18/10/65/944181065.db2.gz LWORUANNLHQCHM-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC001262566530 946717617 /nfs/dbraw/zinc/71/76/17/946717617.db2.gz SHGAICBACASGOI-LJQANCHMSA-N 2 0 296.414 1.898 20 30 CDEDRP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC001254646490 947567868 /nfs/dbraw/zinc/56/78/68/947567868.db2.gz BAPGPXJKMSKHJJ-KLHDSHLOSA-N 2 0 277.412 1.912 20 30 CDEDRP C=CCOCc1nn([C@@H]2CC[N@@H+](C)C2)c2c1C[NH2+]C2 ZINC001255432017 947881985 /nfs/dbraw/zinc/88/19/85/947881985.db2.gz OERHDJUZNCIYEW-LLVKDONJSA-N 2 0 262.357 1.066 20 30 CDEDRP C[C@H](CCCC#N)[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001246217363 948033059 /nfs/dbraw/zinc/03/30/59/948033059.db2.gz FNIMHPDZPGRXFZ-GFCCVEGCSA-N 2 0 250.390 1.095 20 30 CDEDRP CC(C)[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1cccc(C#N)c1 ZINC001246298897 948093027 /nfs/dbraw/zinc/09/30/27/948093027.db2.gz DEYFVVOFIHTANO-DLBZAZTESA-N 2 0 298.434 1.939 20 30 CDEDRP COC(=O)c1ccc(C(=[NH2+])N[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246306437 948095561 /nfs/dbraw/zinc/09/55/61/948095561.db2.gz WAEQQHQPWQWACA-MFKMUULPSA-N 2 0 275.352 1.319 20 30 CDEDRP CC1(C#N)CCC([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)CC1 ZINC001246547412 948253617 /nfs/dbraw/zinc/25/36/17/948253617.db2.gz CWAPINIOVXZSAA-NRXISQOPSA-N 2 0 265.401 1.635 20 30 CDEDRP [NH2+]=C(NC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cn1 ZINC001256849986 948434311 /nfs/dbraw/zinc/43/43/11/948434311.db2.gz RDSPVSRCVYIWHE-UHFFFAOYSA-N 2 0 299.353 1.990 20 30 CDEDRP CCOC(=O)[C@]12C[N@@H+]([C@H]3CC[C@H](C#N)C3)C[C@H]1C[NH2+]CC2 ZINC001246861414 948486746 /nfs/dbraw/zinc/48/67/46/948486746.db2.gz YEXAQOUXMXMVBG-KNCOVGOOSA-N 2 0 291.395 1.153 20 30 CDEDRP C=C[C@](C)(O)C[NH+]1CCN(CC[NH+](CCC)CCC)CC1 ZINC001252561324 951457944 /nfs/dbraw/zinc/45/79/44/951457944.db2.gz ZQCOUZQMIWNFHB-KRWDZBQOSA-N 2 0 297.487 1.663 20 30 CDEDRP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@H]2C1 ZINC001421573965 955414169 /nfs/dbraw/zinc/41/41/69/955414169.db2.gz HGTDSLDFPUIQHQ-OKILXGFUSA-N 2 0 299.846 1.471 20 30 CDEDRP C=C(Cl)CN1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001369847499 959893695 /nfs/dbraw/zinc/89/36/95/959893695.db2.gz RARZVXRSCRQYDW-ZDUSSCGKSA-N 2 0 287.835 1.661 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC001340268155 962851659 /nfs/dbraw/zinc/85/16/59/962851659.db2.gz ZBAQAYYDZKFNKS-HZSPNIEDSA-N 2 0 280.416 1.292 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCC(C)CC1 ZINC001341539490 963457187 /nfs/dbraw/zinc/45/71/87/963457187.db2.gz MBTMFRWEXUMUGG-OAHLLOKOSA-N 2 0 281.444 1.908 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC001343372793 963962520 /nfs/dbraw/zinc/96/25/20/963962520.db2.gz YSQBEOLSMHWEKX-HNNXBMFYSA-N 2 0 281.444 1.907 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001440600198 964115547 /nfs/dbraw/zinc/11/55/47/964115547.db2.gz QQMWOAYPVLNQCS-WCQYABFASA-N 2 0 287.835 1.517 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCC1 ZINC001447236821 966732074 /nfs/dbraw/zinc/73/20/74/966732074.db2.gz FSRKJXFXPDTGRZ-LBPRGKRZSA-N 2 0 299.846 1.709 20 30 CDEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001100187712 967592479 /nfs/dbraw/zinc/59/24/79/967592479.db2.gz JLUZRWNSLNYDGG-NRXISQOPSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001100732246 969035513 /nfs/dbraw/zinc/03/55/13/969035513.db2.gz ZEWWXLSPBPCULZ-UHFFFAOYSA-N 2 0 279.428 1.389 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC001522100932 970398670 /nfs/dbraw/zinc/39/86/70/970398670.db2.gz HORZMZSUALMKMS-ZFWWWQNUSA-N 2 0 269.433 1.933 20 30 CDEDRP C#CCC[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001508229503 975645786 /nfs/dbraw/zinc/64/57/86/975645786.db2.gz MJUUPTIXONFZGL-INIZCTEOSA-N 2 0 291.439 1.344 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001393055719 977688028 /nfs/dbraw/zinc/68/80/28/977688028.db2.gz ZYXQWTXSIVBRAR-QWHCGFSZSA-N 2 0 285.819 1.414 20 30 CDEDRP C=CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132153103 1163183178 /nfs/dbraw/zinc/18/31/78/1163183178.db2.gz NHZBISLDSQSUTO-ZIAGYGMSSA-N 2 0 281.444 1.872 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001133226556 1163608978 /nfs/dbraw/zinc/60/89/78/1163608978.db2.gz WBPYYKNMEGFNPJ-CVEARBPZSA-N 2 0 295.471 1.979 20 30 CDEDRP CCCCCCC[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133291059 1163626644 /nfs/dbraw/zinc/62/66/44/1163626644.db2.gz JCAFAEJIFMKBSB-UHFFFAOYSA-N 2 0 257.422 1.614 20 30 CDEDRP N#C[C@@H]1CC[C@H]([NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000590162579 342523629 /nfs/dbraw/zinc/52/36/29/342523629.db2.gz TVGGUMJMGBKTLM-HIFRSBDPSA-N 2 0 256.353 1.896 20 30 CDEDRP N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)CC2)nc1 ZINC000594583039 342920978 /nfs/dbraw/zinc/92/09/78/342920978.db2.gz RPSUHKLCFQDSTR-GDBMZVCRSA-N 2 0 299.422 1.782 20 30 CDEDRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000596579790 343354212 /nfs/dbraw/zinc/35/42/12/343354212.db2.gz WSEAMMUZECYZJE-LBPRGKRZSA-N 2 0 268.405 1.244 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)o1 ZINC000600768454 349878658 /nfs/dbraw/zinc/87/86/58/349878658.db2.gz GWTXTAIANBIJEO-UHFFFAOYSA-N 2 0 263.341 1.481 20 30 CDEDRP N#CCSCCC[NH+]1CCC(N2CCOCC2)CC1 ZINC000599473980 344062200 /nfs/dbraw/zinc/06/22/00/344062200.db2.gz DFBWPIXEQLUDQZ-UHFFFAOYSA-N 2 0 283.441 1.430 20 30 CDEDRP CCN1CC[NH+](CCCC[NH2+]C[C@H](C)CCC#N)CC1 ZINC000602509312 344458536 /nfs/dbraw/zinc/45/85/36/344458536.db2.gz DUVDTYGLEGTDMO-MRXNPFEDSA-N 2 0 280.460 1.934 20 30 CDEDRP C[C@@H](CCC#N)C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000602554253 344466143 /nfs/dbraw/zinc/46/61/43/344466143.db2.gz ZQTVMANESZWOLI-LSDHHAIUSA-N 2 0 267.417 1.753 20 30 CDEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](C)CCC#N ZINC000602618042 344498290 /nfs/dbraw/zinc/49/82/90/344498290.db2.gz DXBGFSTVUNEQIR-LSDHHAIUSA-N 2 0 266.433 1.542 20 30 CDEDRP CC[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N1CCc2ccccc21 ZINC000263267704 362414243 /nfs/dbraw/zinc/41/42/43/362414243.db2.gz VSKLBKFKCDVDHR-CQSZACIVSA-N 2 0 286.423 1.966 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414195391 362928533 /nfs/dbraw/zinc/92/85/33/362928533.db2.gz OAWJUHPHGUOMJV-MRXNPFEDSA-N 2 0 295.471 1.727 20 30 CDEDRP COCCNC(=[NH2+])NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000069672624 349106336 /nfs/dbraw/zinc/10/63/36/349106336.db2.gz KPBQPXVCIQVEBU-CYBMUJFWSA-N 2 0 292.427 1.667 20 30 CDEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC000107370558 186171883 /nfs/dbraw/zinc/17/18/83/186171883.db2.gz CQMKLYNNLAPQJA-GOSISDBHSA-N 2 0 298.434 1.770 20 30 CDEDRP [NH2+]=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC1CC1 ZINC000264081661 362960058 /nfs/dbraw/zinc/96/00/58/362960058.db2.gz IREVTXLBRQIMSM-HNNXBMFYSA-N 2 0 272.396 1.890 20 30 CDEDRP CC[N@@H+]1CCCC[C@H]1CNC(NCc1ccco1)=[NH+]C ZINC000264847515 363169170 /nfs/dbraw/zinc/16/91/70/363169170.db2.gz NTVLEKGBMXYTFJ-ZDUSSCGKSA-N 2 0 278.400 1.819 20 30 CDEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)o1 ZINC000185870220 357587385 /nfs/dbraw/zinc/58/73/85/357587385.db2.gz PCJOQVWHFIQBQK-ZDUSSCGKSA-N 2 0 276.384 1.267 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)C(C)C ZINC000236667383 358795929 /nfs/dbraw/zinc/79/59/29/358795929.db2.gz YIMBMCMBRQTKJC-CABCVRRESA-N 2 0 279.428 1.553 20 30 CDEDRP C=CCOCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000348043383 359793438 /nfs/dbraw/zinc/79/34/38/359793438.db2.gz GVMFCLWQFPEHQC-SJORKVTESA-N 2 0 295.471 1.537 20 30 CDEDRP C=CCN1CC[C@H](N(C)C2CC[NH+](C(C)C)CC2)C1=O ZINC000337143619 360005846 /nfs/dbraw/zinc/00/58/46/360005846.db2.gz VRTMZSLKZJJPHV-HNNXBMFYSA-N 2 0 279.428 1.578 20 30 CDEDRP C[C@@H](CCC#N)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000563217420 360821927 /nfs/dbraw/zinc/82/19/27/360821927.db2.gz QJYSKOPUUVJQSC-ZDUSSCGKSA-N 2 0 280.416 1.068 20 30 CDEDRP N#Cc1ccc(C[NH2+][C@@H]2CCn3ccnc3C2)c(F)c1 ZINC000548294738 366885466 /nfs/dbraw/zinc/88/54/66/366885466.db2.gz IDZSZHYPQRZHST-CYBMUJFWSA-N 2 0 270.311 1.998 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)CC1 ZINC000153974657 370892729 /nfs/dbraw/zinc/89/27/29/370892729.db2.gz ALIZWWASKXECLX-MRXNPFEDSA-N 2 0 291.439 1.130 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000074132544 369236069 /nfs/dbraw/zinc/23/60/69/369236069.db2.gz PLCSGRQISAXJLB-OAHLLOKOSA-N 2 0 294.443 1.420 20 30 CDEDRP COc1ccc(C#N)cc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000131551345 375286069 /nfs/dbraw/zinc/28/60/69/375286069.db2.gz BCQQCARSCDVTJG-OKILXGFUSA-N 2 0 257.337 1.218 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000417534260 377875961 /nfs/dbraw/zinc/87/59/61/377875961.db2.gz VUYFUDPITAACGX-UONOGXRCSA-N 2 0 294.443 1.324 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000417528530 377878104 /nfs/dbraw/zinc/87/81/04/377878104.db2.gz OXRKNTBKAVBHFV-HNNXBMFYSA-N 2 0 296.459 1.652 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[NH2+]CCC)CC1 ZINC000417541892 377936836 /nfs/dbraw/zinc/93/68/36/377936836.db2.gz SCHWEZFXJNUOFD-UHFFFAOYSA-N 2 0 282.432 1.326 20 30 CDEDRP C[NH+]=C(NCc1cccs1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262013376 390983879 /nfs/dbraw/zinc/98/38/79/390983879.db2.gz XEBMJLKGPPFTFG-SMDDNHRTSA-N 2 0 292.452 1.896 20 30 CDEDRP C=CCOCCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000348029567 391413710 /nfs/dbraw/zinc/41/37/10/391413710.db2.gz FWCVWWVHWTWKPR-HRCADAONSA-N 2 0 282.428 1.763 20 30 CDEDRP CC[NH+](CC)Cc1ccccc1CNC1=[NH+]C[C@H](C)N1 ZINC000262677890 391811159 /nfs/dbraw/zinc/81/11/59/391811159.db2.gz URXTXNDXTDZLBC-ZDUSSCGKSA-N 2 0 274.412 1.966 20 30 CDEDRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)CC1 ZINC000362701181 159217647 /nfs/dbraw/zinc/21/76/47/159217647.db2.gz FJYRHVJAHMWAEH-KRWDZBQOSA-N 2 0 298.434 1.816 20 30 CDEDRP C=CC[C@H](C)[C@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290898 414027753 /nfs/dbraw/zinc/02/77/53/414027753.db2.gz OBHJDAFZFZMZIQ-UWVGGRQHSA-N 2 0 250.346 1.331 20 30 CDEDRP C[C@H](CNC(=[NH2+])NC1CC1)N1CCc2ccccc2C1 ZINC000161534513 261250428 /nfs/dbraw/zinc/25/04/28/261250428.db2.gz UHYASSHSJLNADA-GFCCVEGCSA-N 2 0 272.396 1.500 20 30 CDEDRP COc1ccccc1CNC(=[NH2+])NCCC[NH+]1CCCC1 ZINC000170908632 261448995 /nfs/dbraw/zinc/44/89/95/261448995.db2.gz NJHHUFDZGQPAKB-UHFFFAOYSA-N 2 0 290.411 1.585 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655446889 423865457 /nfs/dbraw/zinc/86/54/57/423865457.db2.gz MBWNJDOFDMBJHN-ZBFHGGJFSA-N 2 0 277.412 1.143 20 30 CDEDRP C[C@H]([NH2+]CCSCc1ccccc1C#N)C1C[NH2+]C1 ZINC000422986008 278259744 /nfs/dbraw/zinc/25/97/44/278259744.db2.gz GIATZCNGJPLAKU-LBPRGKRZSA-N 2 0 275.421 1.989 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccncc1 ZINC000267405312 328178309 /nfs/dbraw/zinc/17/83/09/328178309.db2.gz GWPVNXHCNZTIIH-CQSZACIVSA-N 2 0 275.400 1.013 20 30 CDEDRP CC[NH+]=C(NCC[NH+]1CCCC1)N1CCSC(C)(C)C1 ZINC000179136566 329205723 /nfs/dbraw/zinc/20/57/23/329205723.db2.gz HOITWDAARUCTSI-UHFFFAOYSA-N 2 0 298.500 1.875 20 30 CDEDRP C[NH+]=C(NCCC1CC[NH+](C)CC1)N(C)C[C@@H]1CCOC1 ZINC000261643833 329974183 /nfs/dbraw/zinc/97/41/83/329974183.db2.gz LHQZZGDUPUMWRX-HNNXBMFYSA-N 2 0 296.459 1.262 20 30 CDEDRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCSCC2)C1 ZINC000262392944 330012339 /nfs/dbraw/zinc/01/23/39/330012339.db2.gz MNCVNVKUBJPOMD-CYBMUJFWSA-N 2 0 284.473 1.328 20 30 CDEDRP C=CCNC(NCC1([NH+](C)C)CCCCCC1)=[NH+]C ZINC000263115897 330044294 /nfs/dbraw/zinc/04/42/94/330044294.db2.gz FSZRUYSBNALQIT-UHFFFAOYSA-N 2 0 266.433 1.992 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000424126807 330259271 /nfs/dbraw/zinc/25/92/71/330259271.db2.gz BYVADWPYDAIOLV-UONOGXRCSA-N 2 0 278.400 1.094 20 30 CDEDRP CC[NH+](CC)CC1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424132423 330264960 /nfs/dbraw/zinc/26/49/60/330264960.db2.gz KNCHYRYKRBJBJN-OAHLLOKOSA-N 2 0 294.443 1.588 20 30 CDEDRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424144517 330289937 /nfs/dbraw/zinc/28/99/37/330289937.db2.gz LKHCUVAPOUOIRW-LSDHHAIUSA-N 2 0 292.427 1.198 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000490575803 332093058 /nfs/dbraw/zinc/09/30/58/332093058.db2.gz WWURXEYXRIXKAI-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252861079 334397670 /nfs/dbraw/zinc/39/76/70/334397670.db2.gz NJCMYOFZTQTKAG-KKUMJFAQSA-N 2 0 277.412 1.246 20 30 CDEDRP C#CCN(C)CCC[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000380842422 336036428 /nfs/dbraw/zinc/03/64/28/336036428.db2.gz PEMIJVHQWLWURS-CQSZACIVSA-N 2 0 282.334 1.543 20 30 CDEDRP C=CCCC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001752490520 1159805320 /nfs/dbraw/zinc/80/53/20/1159805320.db2.gz JZMZCFOYSLDAMI-OAHLLOKOSA-N 2 0 291.439 1.533 20 30 CDEDRP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001753735707 1159897140 /nfs/dbraw/zinc/89/71/40/1159897140.db2.gz BMDWTJIKYJWCME-JKSUJKDBSA-N 2 0 293.455 1.615 20 30 CDEDRP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)(C)C ZINC001755840311 1160623681 /nfs/dbraw/zinc/62/36/81/1160623681.db2.gz WSEMVIIQQNJJHA-GJZGRUSLSA-N 2 0 293.455 1.615 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)CC1(C)C ZINC001755762693 1186060742 /nfs/dbraw/zinc/06/07/42/1186060742.db2.gz IRVWAHZNXJZFFB-AWEZNQCLSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)CC1 ZINC000334893156 526428590 /nfs/dbraw/zinc/42/85/90/526428590.db2.gz SKLIMQOKFIQREJ-OLZOCXBDSA-N 2 0 280.416 1.029 20 30 CDEDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000190764615 535730060 /nfs/dbraw/zinc/73/00/60/535730060.db2.gz VWAPZMHDQFPNLK-AWEZNQCLSA-N 2 0 289.427 1.012 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000980475976 613082625 /nfs/dbraw/zinc/08/26/25/613082625.db2.gz LXRMUBPDUYMFTD-CABCVRRESA-N 2 0 277.412 1.027 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000971521856 613092094 /nfs/dbraw/zinc/09/20/94/613092094.db2.gz FFFJWOJUBXJGMO-GJZGRUSLSA-N 2 0 277.412 1.025 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000971673285 613092766 /nfs/dbraw/zinc/09/27/66/613092766.db2.gz FSNOSOVSNAWUPW-HOTGVXAUSA-N 2 0 291.439 1.130 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000947852818 613225748 /nfs/dbraw/zinc/22/57/48/613225748.db2.gz LWAOFMGMSIYIRE-HZPDHXFCSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000951758257 613245783 /nfs/dbraw/zinc/24/57/83/613245783.db2.gz SURLHFAPTUIBGB-HOCLYGCPSA-N 2 0 293.455 1.683 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000957328236 613257649 /nfs/dbraw/zinc/25/76/49/613257649.db2.gz KZUMQNIKQVLUBD-HNNXBMFYSA-N 2 0 279.428 1.439 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977593770 613277478 /nfs/dbraw/zinc/27/74/78/613277478.db2.gz CTUXIOXAPKNZQZ-CABCVRRESA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977455014 613544026 /nfs/dbraw/zinc/54/40/26/613544026.db2.gz QSHLCHRONINCLJ-LSDHHAIUSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000971673705 613631871 /nfs/dbraw/zinc/63/18/71/613631871.db2.gz JRRWCBBSKHAWRR-CVEARBPZSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971554095 613633532 /nfs/dbraw/zinc/63/35/32/613633532.db2.gz YMZMTWHXTGKHQT-GJZGRUSLSA-N 2 0 277.412 1.047 20 30 CDEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000969690694 613670161 /nfs/dbraw/zinc/67/01/61/613670161.db2.gz QMDODWKCUYGDMB-AEGPPILISA-N 2 0 279.428 1.339 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968386970 613728526 /nfs/dbraw/zinc/72/85/26/613728526.db2.gz SCDJIEILDCKBRB-ZBFHGGJFSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942598238 613781031 /nfs/dbraw/zinc/78/10/31/613781031.db2.gz UOANILKJXOMGGF-HIFRSBDPSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974587956 613808740 /nfs/dbraw/zinc/80/87/40/613808740.db2.gz OUNILQXWDQJJRF-HUUCEWRRSA-N 2 0 293.455 1.872 20 30 CDEDRP C[N@@H+]1CCCN(CCC[NH2+]C2CCC(C#N)CC2)CC1 ZINC000894374476 618831680 /nfs/dbraw/zinc/83/16/80/618831680.db2.gz AKNPPQVYSOMWJJ-UHFFFAOYSA-N 2 0 278.444 1.686 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947284 1162511003 /nfs/dbraw/zinc/51/10/03/1162511003.db2.gz RTEJXAZUXTUGPP-KGLIPLIRSA-N 2 0 269.433 1.633 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130190461 1162565481 /nfs/dbraw/zinc/56/54/81/1162565481.db2.gz ZSXIEAIATVFMFP-ZIAGYGMSSA-N 2 0 265.401 1.285 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001133073850 1163551407 /nfs/dbraw/zinc/55/14/07/1163551407.db2.gz XBGXYLIYFUIVTM-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001133083093 1163562629 /nfs/dbraw/zinc/56/26/29/1163562629.db2.gz IGJZCMNHKRSSKI-ZBFHGGJFSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001570000068 1170056468 /nfs/dbraw/zinc/05/64/68/1170056468.db2.gz HQZITUWUDXUXIR-HUUCEWRRSA-N 2 0 279.428 1.034 20 30 CDEDRP C[N@H+](CCc1cccc(C#N)c1)C[C@@]1(O)CCC[NH2+]C1 ZINC001578478285 1171929174 /nfs/dbraw/zinc/92/91/74/1171929174.db2.gz BSSTUMMCXJSSRO-MRXNPFEDSA-N 2 0 273.380 1.147 20 30 CDEDRP C=C(C)C[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001753065887 1182208454 /nfs/dbraw/zinc/20/84/54/1182208454.db2.gz CDCKBZJETQHTBJ-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CCC[NH2+]C1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001752850916 1184934599 /nfs/dbraw/zinc/93/45/99/1184934599.db2.gz RHOGBAFTYDSGBQ-UHFFFAOYSA-N 2 0 291.439 1.511 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001753111593 1185066951 /nfs/dbraw/zinc/06/69/51/1185066951.db2.gz LEATXTGQJTWDEN-HUUCEWRRSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CC[NH2+][C@H](CC)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001753487937 1185233043 /nfs/dbraw/zinc/23/30/43/1185233043.db2.gz MWZAHMITBMELPA-LSDHHAIUSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001753549984 1185253740 /nfs/dbraw/zinc/25/37/40/1185253740.db2.gz IBNGNSQHDZAANK-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+]CCC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001753573286 1185256198 /nfs/dbraw/zinc/25/61/98/1185256198.db2.gz QIGRIWMZLDGRMY-UHFFFAOYSA-N 2 0 291.439 1.180 20 30 CDEDRP C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001753819077 1185343833 /nfs/dbraw/zinc/34/38/33/1185343833.db2.gz ZUMFKKFIISSRNR-CABCVRRESA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001753895453 1185384685 /nfs/dbraw/zinc/38/46/85/1185384685.db2.gz XYEABZZZMHVZMA-CVEARBPZSA-N 2 0 293.455 1.779 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001754225655 1185516655 /nfs/dbraw/zinc/51/66/55/1185516655.db2.gz FXUGFTLFQCUGKP-HIFRSBDPSA-N 2 0 279.428 1.389 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001754826037 1185742296 /nfs/dbraw/zinc/74/22/96/1185742296.db2.gz UITBIHXBHCFRJA-HOTGVXAUSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001755046163 1185798986 /nfs/dbraw/zinc/79/89/86/1185798986.db2.gz WOOYSIIDKIUCHA-JKSUJKDBSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001755165950 1185838251 /nfs/dbraw/zinc/83/82/51/1185838251.db2.gz UQYUBBJLTDDNOV-KBPBESRZSA-N 2 0 267.417 1.482 20 30 CDEDRP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001755358450 1185927326 /nfs/dbraw/zinc/92/73/26/1185927326.db2.gz OGFLXSJOFXZGPP-JKSUJKDBSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001755498888 1185973037 /nfs/dbraw/zinc/97/30/37/1185973037.db2.gz PRMLEDCRYRSHHJ-GJZGRUSLSA-N 2 0 281.444 1.920 20 30 CDEDRP C#CC[NH2+][C@H](C)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001755612414 1186011528 /nfs/dbraw/zinc/01/15/28/1186011528.db2.gz IRDJYOCNMRSSOO-CQSZACIVSA-N 2 0 287.407 1.432 20 30 CDEDRP C#CCC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001755776790 1186064075 /nfs/dbraw/zinc/06/40/75/1186064075.db2.gz ZMASRHREMFONMS-AWEZNQCLSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH2+]CC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000379663632 1187260580 /nfs/dbraw/zinc/26/05/80/1187260580.db2.gz MCWACVWUDQBWGJ-HNNXBMFYSA-N 2 0 287.407 1.236 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001133890260 1163951368 /nfs/dbraw/zinc/95/13/68/1163951368.db2.gz MPYLXCYQQKPECF-UHFFFAOYSA-N 2 0 289.423 1.686 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135706117 1164169096 /nfs/dbraw/zinc/16/90/96/1164169096.db2.gz PBDQNGGHCSXHQR-UONOGXRCSA-N 2 0 269.433 1.777 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2 ZINC001035797354 754691638 /nfs/dbraw/zinc/69/16/38/754691638.db2.gz YMGAIRWCVLVUOL-AWEZNQCLSA-N 2 0 279.428 1.437 20 30 CDEDRP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCOCC1)CC(C)C ZINC000303787646 755231669 /nfs/dbraw/zinc/23/16/69/755231669.db2.gz SQIQFIOAXXXJST-AWEZNQCLSA-N 2 0 284.448 1.390 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577674 753859654 /nfs/dbraw/zinc/85/96/54/753859654.db2.gz QLKCLBIPYWBNPJ-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033390304 753888875 /nfs/dbraw/zinc/88/88/75/753888875.db2.gz JIDUWOFGYHDGEP-HNNXBMFYSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001006916696 753919768 /nfs/dbraw/zinc/91/97/68/753919768.db2.gz MYDDLXWPRJIKGT-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[N@H+]1CCCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034431775 754028832 /nfs/dbraw/zinc/02/88/32/754028832.db2.gz OFWVXHYFZLKCGA-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033198733 754139446 /nfs/dbraw/zinc/13/94/46/754139446.db2.gz NAWBHEXHNBNJPM-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)Cn2ccnc2)CC[C@@H]1C ZINC001072122097 754241376 /nfs/dbraw/zinc/24/13/76/754241376.db2.gz FQSHZACSCUYJRI-UONOGXRCSA-N 2 0 276.384 1.428 20 30 CDEDRP CCOCCCNC(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000303886934 754269667 /nfs/dbraw/zinc/26/96/67/754269667.db2.gz KNMUZIIAVQIXSA-UHFFFAOYSA-N 2 0 292.427 1.579 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001054862883 754269878 /nfs/dbraw/zinc/26/98/78/754269878.db2.gz MKKXQJOVGVKNBA-SWLSCSKDSA-N 2 0 284.363 1.570 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996518211 754319850 /nfs/dbraw/zinc/31/98/50/754319850.db2.gz IJNPEABJHJGYGY-KBPBESRZSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[N@H+]1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@H]21 ZINC001036734982 754323747 /nfs/dbraw/zinc/32/37/47/754323747.db2.gz BKYJEVHHBBTTQB-LSDHHAIUSA-N 2 0 291.439 1.580 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000818172159 754336925 /nfs/dbraw/zinc/33/69/25/754336925.db2.gz YMVHQJVLTGSBSQ-OAHLLOKOSA-N 2 0 265.401 1.049 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001033424060 754356339 /nfs/dbraw/zinc/35/63/39/754356339.db2.gz QQSMIMFWVILUBN-LSDHHAIUSA-N 2 0 277.412 1.027 20 30 CDEDRP CC#CC[NH+]1CCC(C)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001045545084 754364293 /nfs/dbraw/zinc/36/42/93/754364293.db2.gz UHZLZLNLZRWCNH-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001048587543 754366455 /nfs/dbraw/zinc/36/64/55/754366455.db2.gz OPPDLLPFMQSWLA-LVQVYYBASA-N 2 0 291.439 1.483 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CC)C2)CC1 ZINC001027693914 754370596 /nfs/dbraw/zinc/37/05/96/754370596.db2.gz NBKYCBQRFRDFRN-INIZCTEOSA-N 2 0 291.439 1.274 20 30 CDEDRP CCCCNC(=[NH2+])NC[C@@H](CC[NH+](C)C)OCC ZINC000304823784 754388916 /nfs/dbraw/zinc/38/89/16/754388916.db2.gz FDCZKMBPDAUWRI-GFCCVEGCSA-N 2 0 258.410 1.048 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001000190759 754417981 /nfs/dbraw/zinc/41/79/81/754417981.db2.gz HOGNPBDXXOQQTN-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000998188816 754450680 /nfs/dbraw/zinc/45/06/80/754450680.db2.gz KNKFRTSLCQOKFH-HOTGVXAUSA-N 2 0 291.439 1.274 20 30 CDEDRP CC[NH+]=C(NCC[NH2+]C(C)(C)C)N1CC[C@]2(CCOC2)C1 ZINC000157961585 754499030 /nfs/dbraw/zinc/49/90/30/754499030.db2.gz IQNQEVHJSNNHOA-INIZCTEOSA-N 2 0 296.459 1.452 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001028639480 754549446 /nfs/dbraw/zinc/54/94/46/754549446.db2.gz YNMVLERYYDCUNF-KBPBESRZSA-N 2 0 288.395 1.070 20 30 CDEDRP N#Cc1ccc([C@H](O)C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000923359597 754596847 /nfs/dbraw/zinc/59/68/47/754596847.db2.gz SOWYABGNDAXHFV-MRXNPFEDSA-N 2 0 285.391 1.667 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001028580417 754603887 /nfs/dbraw/zinc/60/38/87/754603887.db2.gz VYEPWLYLKTZMBT-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCCC1 ZINC000303900261 754687340 /nfs/dbraw/zinc/68/73/40/754687340.db2.gz WRJYXWZJHALVKH-CYBMUJFWSA-N 2 0 270.421 1.049 20 30 CDEDRP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992471482 754720295 /nfs/dbraw/zinc/72/02/95/754720295.db2.gz BZOZVSJTLGQIPN-BFYDXBDKSA-N 2 0 289.423 1.075 20 30 CDEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCOCCC#N ZINC000815074503 754731800 /nfs/dbraw/zinc/73/18/00/754731800.db2.gz VAIGVCGVJXTZFG-QLFBSQMISA-N 2 0 281.400 1.100 20 30 CDEDRP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1C ZINC001027971599 754853808 /nfs/dbraw/zinc/85/38/08/754853808.db2.gz HYTTVOFYQIXYMW-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001033686354 754907638 /nfs/dbraw/zinc/90/76/38/754907638.db2.gz PFRNRPDXGOSSMR-JKSUJKDBSA-N 2 0 291.439 1.417 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001019469816 754975874 /nfs/dbraw/zinc/97/58/74/754975874.db2.gz PFORFJFUBLEKMY-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001002803832 755005471 /nfs/dbraw/zinc/00/54/71/755005471.db2.gz VWLGSQGEIYQLQB-ZBFHGGJFSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CCCN1CC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001030442605 755055135 /nfs/dbraw/zinc/05/51/35/755055135.db2.gz ZEJMKTGHQCRHDO-HNNXBMFYSA-N 2 0 277.412 1.073 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOC1CCCC1 ZINC000170908349 755146444 /nfs/dbraw/zinc/14/64/44/755146444.db2.gz JXSRYWQSACHQBA-ZDUSSCGKSA-N 2 0 282.432 1.334 20 30 CDEDRP C#Cc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000809661145 755273318 /nfs/dbraw/zinc/27/33/18/755273318.db2.gz VEZWPZBKCXJEIU-UHFFFAOYSA-N 2 0 285.435 1.784 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)CC#N ZINC000849040417 755357884 /nfs/dbraw/zinc/35/78/84/755357884.db2.gz KGIBBCLVFSRBTH-GFCCVEGCSA-N 2 0 265.405 1.525 20 30 CDEDRP CCNC(NCCC[N@@H+]1CCCC[C@@H]1C)=[NH+]CC ZINC000066242572 755378229 /nfs/dbraw/zinc/37/82/29/755378229.db2.gz LEEQIKQPDZAJHO-ZDUSSCGKSA-N 2 0 254.422 1.826 20 30 CDEDRP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001028332449 755380559 /nfs/dbraw/zinc/38/05/59/755380559.db2.gz VBSLAPAYDWJCGH-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049697950 755460524 /nfs/dbraw/zinc/46/05/24/755460524.db2.gz LZVSJPMWFQOULQ-ARFHVFGLSA-N 2 0 293.455 1.824 20 30 CDEDRP CCNC(NC[C@H](C)C[NH+]1CCCCC1)=[NH+]CC ZINC000066243690 755502032 /nfs/dbraw/zinc/50/20/32/755502032.db2.gz VAZXQJMHNNNLBN-ZDUSSCGKSA-N 2 0 254.422 1.683 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000861574524 755657001 /nfs/dbraw/zinc/65/70/01/755657001.db2.gz UVJDKDNFTIUUPS-GFCCVEGCSA-N 2 0 268.405 1.016 20 30 CDEDRP C[C@H]1CCCC[N@@H+]1CCCCNC1=[NH+]CCCN1C ZINC000848989607 755671533 /nfs/dbraw/zinc/67/15/33/755671533.db2.gz ZRPWRGUWXXJVOE-AWEZNQCLSA-N 2 0 266.433 1.922 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001000081793 755679801 /nfs/dbraw/zinc/67/98/01/755679801.db2.gz NETMDEDUABISLB-CQSZACIVSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CCCN3C)CCC[C@H]12 ZINC000992109835 755733569 /nfs/dbraw/zinc/73/35/69/755733569.db2.gz FLNNYASDELSCIE-VYDXJSESSA-N 2 0 289.423 1.217 20 30 CDEDRP C=C(Cl)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000852753039 755794072 /nfs/dbraw/zinc/79/40/72/755794072.db2.gz UOWGZIQRURSKAF-XQQFMLRXSA-N 2 0 258.793 1.957 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027884655 755814419 /nfs/dbraw/zinc/81/44/19/755814419.db2.gz NWZRGYRAVUNVSM-GJZGRUSLSA-N 2 0 277.412 1.095 20 30 CDEDRP CCCCNC(=[NH2+])NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303781467 755848372 /nfs/dbraw/zinc/84/83/72/755848372.db2.gz MIEHBJHQMXKYFQ-BETUJISGSA-N 2 0 270.421 1.190 20 30 CDEDRP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001052430418 755879189 /nfs/dbraw/zinc/87/91/89/755879189.db2.gz SDLNWYOBEDXTCI-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994249968 756097312 /nfs/dbraw/zinc/09/73/12/756097312.db2.gz IBWDKNLQYBSGQZ-KGLIPLIRSA-N 2 0 277.412 1.237 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000986459391 756234262 /nfs/dbraw/zinc/23/42/62/756234262.db2.gz BSCCNPRWMGJGIQ-CZUORRHYSA-N 2 0 296.374 1.469 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001028762463 756234430 /nfs/dbraw/zinc/23/44/30/756234430.db2.gz NDRUKAGSCJBAOD-XHSDSOJGSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001007376120 756246041 /nfs/dbraw/zinc/24/60/41/756246041.db2.gz HZUHUUAXDDMABN-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP CC(=NNC1=[NH+][C@H]2CCCC[C@H]2N1)C1CC[NH+](C)CC1 ZINC000814885670 756327425 /nfs/dbraw/zinc/32/74/25/756327425.db2.gz GXCWOYPNNHARIR-OKILXGFUSA-N 2 0 277.416 1.564 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC1(C)C ZINC000996012901 756332470 /nfs/dbraw/zinc/33/24/70/756332470.db2.gz XTMOSWVJNCSTGR-OAHLLOKOSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015928595 756351233 /nfs/dbraw/zinc/35/12/33/756351233.db2.gz GYYYVNFCMGKUIK-MRXNPFEDSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001052255289 756375914 /nfs/dbraw/zinc/37/59/14/756375914.db2.gz YXRHLQIFUWHAFQ-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001045385795 756531737 /nfs/dbraw/zinc/53/17/37/756531737.db2.gz XPGIRMWIDJFCTA-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP CC(C)CNC(=[NH2+])NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000303792234 756581762 /nfs/dbraw/zinc/58/17/62/756581762.db2.gz YHYDRGNZIAGUKU-STQMWFEESA-N 2 0 270.421 1.046 20 30 CDEDRP C[C@@H](CC[NH+]=C(N(C)C)N(C)C)[NH+]1CCCCC1 ZINC000305822502 756650329 /nfs/dbraw/zinc/65/03/29/756650329.db2.gz PLTJHIHHLDVSHL-ZDUSSCGKSA-N 2 0 254.422 1.730 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000998769032 756781264 /nfs/dbraw/zinc/78/12/64/756781264.db2.gz IBHZCCBWSQKRMB-UHFFFAOYSA-N 2 0 291.439 1.463 20 30 CDEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000303770123 756808151 /nfs/dbraw/zinc/80/81/51/756808151.db2.gz BPLXBZQZXCISFW-CQSZACIVSA-N 2 0 282.432 1.144 20 30 CDEDRP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028647291 756810535 /nfs/dbraw/zinc/81/05/35/756810535.db2.gz HABJCAOQNORUJY-JKSUJKDBSA-N 2 0 293.455 1.731 20 30 CDEDRP CC(C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000303867351 756815782 /nfs/dbraw/zinc/81/57/82/756815782.db2.gz CUXOOCWPGYRVDO-CYBMUJFWSA-N 2 0 254.422 1.667 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001015705451 756824810 /nfs/dbraw/zinc/82/48/10/756824810.db2.gz LKAMKTONXHEPOP-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001046832555 756839297 /nfs/dbraw/zinc/83/92/97/756839297.db2.gz XSHDEBVMNCSOHF-GDBMZVCRSA-N 2 0 279.428 1.485 20 30 CDEDRP C[NH2+]Cc1cccc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1 ZINC000884014991 756842886 /nfs/dbraw/zinc/84/28/86/756842886.db2.gz DOZQZSZXJUJLAJ-UUCFBXCCSA-N 2 0 298.390 1.484 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999407719 756857729 /nfs/dbraw/zinc/85/77/29/756857729.db2.gz PHVVTWKFGLPMFC-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCOCC[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000852184402 756869956 /nfs/dbraw/zinc/86/99/56/756869956.db2.gz JYQPUPGUIBTMED-UHFFFAOYSA-N 2 0 293.455 1.128 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003633344 756892559 /nfs/dbraw/zinc/89/25/59/756892559.db2.gz GAGZFHRUJKJNIQ-HIFRSBDPSA-N 2 0 279.428 1.341 20 30 CDEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000178564279 756965630 /nfs/dbraw/zinc/96/56/30/756965630.db2.gz ISHINKWZCZMXHH-OAHLLOKOSA-N 2 0 274.412 1.475 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001018991026 757061261 /nfs/dbraw/zinc/06/12/61/757061261.db2.gz VISKFIJBXKTYGX-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076574974 757136284 /nfs/dbraw/zinc/13/62/84/757136284.db2.gz TYJIKFCEXNGQNK-JKSUJKDBSA-N 2 0 291.439 1.581 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001023128604 757691366 /nfs/dbraw/zinc/69/13/66/757691366.db2.gz LUEUSTGOFVMIQF-QLFBSQMISA-N 2 0 279.428 1.674 20 30 CDEDRP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001024800966 757724440 /nfs/dbraw/zinc/72/44/40/757724440.db2.gz KCUWHJKLYLJXLV-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001000690582 757842444 /nfs/dbraw/zinc/84/24/44/757842444.db2.gz WJKKRLYNLUVNDQ-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000304821772 757883512 /nfs/dbraw/zinc/88/35/12/757883512.db2.gz CKXSCSKQGXWJCM-UONOGXRCSA-N 2 0 284.448 1.390 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000997363435 757928418 /nfs/dbraw/zinc/92/84/18/757928418.db2.gz GAABPJIKZSMJOB-OAHLLOKOSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC001044745789 758308872 /nfs/dbraw/zinc/30/88/72/758308872.db2.gz ZUZIZURRKXHROU-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001001419503 758331706 /nfs/dbraw/zinc/33/17/06/758331706.db2.gz WKLZBLXNRVDHAA-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCN1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000886208917 758380318 /nfs/dbraw/zinc/38/03/18/758380318.db2.gz ADRUMHDXTNULGQ-HRCADAONSA-N 2 0 261.413 1.300 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001036895702 758387255 /nfs/dbraw/zinc/38/72/55/758387255.db2.gz CRTVGAGMDNZJNW-LSDHHAIUSA-N 2 0 277.412 1.191 20 30 CDEDRP C#C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000775574000 758402390 /nfs/dbraw/zinc/40/23/90/758402390.db2.gz MYVWNDOXMLEEBF-AEGPPILISA-N 2 0 250.386 1.487 20 30 CDEDRP CCN(CC)C(=[NH2+])NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000303879565 758566693 /nfs/dbraw/zinc/56/66/93/758566693.db2.gz JREFBYSOIHLVSV-CYBMUJFWSA-N 2 0 254.422 1.763 20 30 CDEDRP C[C@@H]1CCCN(C(=[NH2+])NCC2([NH+](C)C)CCOCC2)C1 ZINC000304742671 758622989 /nfs/dbraw/zinc/62/29/89/758622989.db2.gz CUSNVSFTXADXAD-CYBMUJFWSA-N 2 0 282.432 1.144 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001028767467 758695081 /nfs/dbraw/zinc/69/50/81/758695081.db2.gz OLNFITOKVDHNFR-JYJNAYRXSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000923361349 758793111 /nfs/dbraw/zinc/79/31/11/758793111.db2.gz JAKVZYGIGWSUBU-KFWWJZLASA-N 2 0 268.401 1.142 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001036896881 758842926 /nfs/dbraw/zinc/84/29/26/758842926.db2.gz VYDXODAIQAETKW-HZPDHXFCSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CCOC1CCC([NH2+][C@@H](CCCC[NH3+])C(=O)NC)CC1 ZINC001173319589 912455265 /nfs/dbraw/zinc/45/52/65/912455265.db2.gz NLDMNMHRPXHYKZ-NRXISQOPSA-N 2 0 297.443 1.333 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127254220 913152113 /nfs/dbraw/zinc/15/21/13/913152113.db2.gz DDADTYPLPJDVEL-HUUCEWRRSA-N 2 0 279.428 1.533 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC001121944395 913277863 /nfs/dbraw/zinc/27/78/63/913277863.db2.gz QTHWDNNWSUJNMU-NWDGAFQWSA-N 2 0 253.390 1.174 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175047734 913441970 /nfs/dbraw/zinc/44/19/70/913441970.db2.gz AYTIKLMGVHOBHH-HNNXBMFYSA-N 2 0 293.455 1.616 20 30 CDEDRP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001099199497 913623237 /nfs/dbraw/zinc/62/32/37/913623237.db2.gz NCSZUCQUQPMRCB-HNNXBMFYSA-N 2 0 293.455 1.568 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001176231343 913999650 /nfs/dbraw/zinc/99/96/50/913999650.db2.gz UOWOPGMITPWBRJ-HNNXBMFYSA-N 2 0 281.444 1.616 20 30 CDEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176564082 914181371 /nfs/dbraw/zinc/18/13/71/914181371.db2.gz LAVYJICSFPZHCI-HUUCEWRRSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884745 914343650 /nfs/dbraw/zinc/34/36/50/914343650.db2.gz RHARRYJCACBCMX-UHFFFAOYSA-N 2 0 267.417 1.534 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)c1ccccc1C[NH+](C)C ZINC001176948197 914395404 /nfs/dbraw/zinc/39/54/04/914395404.db2.gz KFCBSJMMWBEJAA-UHFFFAOYSA-N 2 0 287.407 1.481 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176991453 914420003 /nfs/dbraw/zinc/42/00/03/914420003.db2.gz BJCLYZNGVDKKQM-HNNXBMFYSA-N 2 0 281.444 1.923 20 30 CDEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001112523268 900234132 /nfs/dbraw/zinc/23/41/32/900234132.db2.gz KQDIBTCMDHVIAT-RDJZCZTQSA-N 2 0 291.439 1.180 20 30 CDEDRP N#Cc1cc(NC(=[NH2+])NCCCC[NH3+])ncc1Cl ZINC001167879245 901609596 /nfs/dbraw/zinc/60/95/96/901609596.db2.gz JIHWMZVHIYIVBJ-UHFFFAOYSA-N 2 0 266.736 1.282 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001227867508 906706306 /nfs/dbraw/zinc/70/63/06/906706306.db2.gz HHTCRTKAVCUTSH-MRXNPFEDSA-N 2 0 291.439 1.465 20 30 CDEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC001356595763 906817169 /nfs/dbraw/zinc/81/71/69/906817169.db2.gz LPLIDIVKTBJREY-CQSZACIVSA-N 2 0 284.762 1.667 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001092620527 909478036 /nfs/dbraw/zinc/47/80/36/909478036.db2.gz MQHYLCXEHYGWPJ-KBUPBQIOSA-N 2 0 279.428 1.197 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127066277 911263979 /nfs/dbraw/zinc/26/39/79/911263979.db2.gz KZNOJIOXXACOEC-CABCVRRESA-N 2 0 281.444 1.920 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001178045711 915123844 /nfs/dbraw/zinc/12/38/44/915123844.db2.gz SITMVHDYSHVZPV-AWEZNQCLSA-N 2 0 267.417 1.533 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179925214 916065159 /nfs/dbraw/zinc/06/51/59/916065159.db2.gz LDUVRHMGIBDUJK-XHSDSOJGSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+]CCCCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001180068228 916142731 /nfs/dbraw/zinc/14/27/31/916142731.db2.gz CLQBHUTXYIBOCQ-UHFFFAOYSA-N 2 0 293.455 1.925 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001181672769 917274555 /nfs/dbraw/zinc/27/45/55/917274555.db2.gz BWVJSBJNRILWSC-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001182637988 917996940 /nfs/dbraw/zinc/99/69/40/917996940.db2.gz UYPDFZUHSICZBE-HLLBOEOZSA-N 2 0 293.455 1.424 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001183288446 918421858 /nfs/dbraw/zinc/42/18/58/918421858.db2.gz IPEGMSKWWCWKFE-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185071988 919411207 /nfs/dbraw/zinc/41/12/07/919411207.db2.gz CPMCOAJCCFTQJI-KBPBESRZSA-N 2 0 267.417 1.198 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001078718502 920426402 /nfs/dbraw/zinc/42/64/02/920426402.db2.gz QWIVJWRXXIDLRL-GJZGRUSLSA-N 2 0 291.439 1.531 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)C[NH+](CC)CC)C1 ZINC001100770762 936933967 /nfs/dbraw/zinc/93/39/67/936933967.db2.gz MYSFNPCFJDMQQM-UHFFFAOYSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CCN1CC[C@@]2(CC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711823 924808670 /nfs/dbraw/zinc/80/86/70/924808670.db2.gz KBSDVTRNIBSFRO-OAHLLOKOSA-N 2 0 265.401 1.049 20 30 CDEDRP C=CCN1CC[C@]2(CC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711822 924810107 /nfs/dbraw/zinc/81/01/07/924810107.db2.gz KBSDVTRNIBSFRO-HNNXBMFYSA-N 2 0 265.401 1.049 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001082782516 924997350 /nfs/dbraw/zinc/99/73/50/924997350.db2.gz CLIMKWSDQDFBDX-BZUAXINKSA-N 2 0 291.439 1.319 20 30 CDEDRP C=CCC[N@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196962198 925021729 /nfs/dbraw/zinc/02/17/29/925021729.db2.gz BCXZGMWVNRKUCO-UHFFFAOYSA-N 2 0 267.417 1.439 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101284068 936966105 /nfs/dbraw/zinc/96/61/05/936966105.db2.gz LVFZXKODRJUCRM-PBHICJAKSA-N 2 0 293.455 1.683 20 30 CDEDRP C#C[C@H]([NH2+]CCCCn1ccnc1C)[C@@H]1CCCO1 ZINC000775790153 925236716 /nfs/dbraw/zinc/23/67/16/925236716.db2.gz HBSLQCMKKZEJAA-GJZGRUSLSA-N 2 0 261.369 1.742 20 30 CDEDRP C=CC[NH+]1CCCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001197907987 925275092 /nfs/dbraw/zinc/27/50/92/925275092.db2.gz NSNGKUZGOKMKIO-UHFFFAOYSA-N 2 0 267.417 1.439 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084905651 925488332 /nfs/dbraw/zinc/48/83/32/925488332.db2.gz GWXRMLCGOHOAGK-PMPSAXMXSA-N 2 0 289.423 1.027 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001085309593 925872963 /nfs/dbraw/zinc/87/29/63/925872963.db2.gz XNYNDXQRJOPRMR-CAOSSQGBSA-N 2 0 291.439 1.367 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001085332842 925890700 /nfs/dbraw/zinc/89/07/00/925890700.db2.gz PAAOMVNNSJHKKD-RRFJBIMHSA-N 2 0 279.428 1.531 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001085518795 926107292 /nfs/dbraw/zinc/10/72/92/926107292.db2.gz ZKEXYUKEGIWQJG-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370247 937054588 /nfs/dbraw/zinc/05/45/88/937054588.db2.gz VDILJOAILYNQLC-BZUAXINKSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001102497133 937061112 /nfs/dbraw/zinc/06/11/12/937061112.db2.gz CIMZKGGTRRWOKT-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102780431 937087881 /nfs/dbraw/zinc/08/78/81/937087881.db2.gz AYQGZHQLWQQPQQ-OAGGEKHMSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001103754703 937154301 /nfs/dbraw/zinc/15/43/01/937154301.db2.gz RRNNQSFOVMZMRU-HUUCEWRRSA-N 2 0 281.444 1.587 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103721119 937152184 /nfs/dbraw/zinc/15/21/84/937152184.db2.gz DDCNRLFPBCNMHQ-OAGGEKHMSA-N 2 0 293.455 1.588 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+](CC)CC)C2 ZINC001108784166 928634902 /nfs/dbraw/zinc/63/49/02/928634902.db2.gz KZNHNCMHKCVXEA-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109427273 928931174 /nfs/dbraw/zinc/93/11/74/928931174.db2.gz WXCPRXYLMNGOFN-UGUYLWEFSA-N 2 0 293.455 1.870 20 30 CDEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001109444063 928941035 /nfs/dbraw/zinc/94/10/35/928941035.db2.gz QZCQZQHWILLOAD-BARDWOONSA-N 2 0 279.428 1.624 20 30 CDEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001112585995 929202721 /nfs/dbraw/zinc/20/27/21/929202721.db2.gz CFXZJOBITQBCQY-RDJZCZTQSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152427362 937360900 /nfs/dbraw/zinc/36/09/00/937360900.db2.gz XMRJJCFHGPDZQG-CYBMUJFWSA-N 2 0 255.406 1.387 20 30 CDEDRP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135375846 930176576 /nfs/dbraw/zinc/17/65/76/930176576.db2.gz OMVXQEZQDWMEPS-KGLIPLIRSA-N 2 0 269.433 1.777 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCCCC1 ZINC001115730173 937416443 /nfs/dbraw/zinc/41/64/43/937416443.db2.gz DDYFNVBXWMMEHK-HNNXBMFYSA-N 2 0 293.455 1.923 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171217837 931989258 /nfs/dbraw/zinc/98/92/58/931989258.db2.gz OLTUGWSCBLVGJP-GFCCVEGCSA-N 2 0 273.808 1.177 20 30 CDEDRP C#CCCC[NH2+][C@@]12CC[C@@](NCC[NH+](C)C)(C1)CCC2 ZINC001275978735 932195134 /nfs/dbraw/zinc/19/51/34/932195134.db2.gz YMDYMGAVECOBPX-DLBZAZTESA-N 2 0 277.456 1.986 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146613479 932272158 /nfs/dbraw/zinc/27/21/58/932272158.db2.gz TULREJCQXKBWAA-CVEARBPZSA-N 2 0 293.455 1.759 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154903808 937601655 /nfs/dbraw/zinc/60/16/55/937601655.db2.gz FNXGLSBZLPGUBA-CQSZACIVSA-N 2 0 267.417 1.178 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001148548108 932738671 /nfs/dbraw/zinc/73/86/71/932738671.db2.gz MOTTZXIZAFTDMR-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980140 933301634 /nfs/dbraw/zinc/30/16/34/933301634.db2.gz RNGKYKHAYFTLQL-MCIONIFRSA-N 2 0 265.401 1.236 20 30 CDEDRP C#CCC[NH2+]C1(CNC(=O)Cn2ccnc2)CCCCC1 ZINC001120248816 937788792 /nfs/dbraw/zinc/78/87/92/937788792.db2.gz XFMXXDODOAYPEP-UHFFFAOYSA-N 2 0 288.395 1.315 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001121930601 937891450 /nfs/dbraw/zinc/89/14/50/937891450.db2.gz NTGRJBCEMWAOFL-HUUCEWRRSA-N 2 0 279.428 1.661 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC001122049622 937902016 /nfs/dbraw/zinc/90/20/16/937902016.db2.gz KNQCNQOLFDEWCF-CYBMUJFWSA-N 2 0 253.390 1.223 20 30 CDEDRP C=CC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001161942260 938945771 /nfs/dbraw/zinc/94/57/71/938945771.db2.gz FZFINFHKDMWPLM-UHFFFAOYSA-N 2 0 279.428 1.651 20 30 CDEDRP C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc[nH+]c(CC#N)c1 ZINC001162466568 939062463 /nfs/dbraw/zinc/06/24/63/939062463.db2.gz NPKLNDZSQLAOSL-QWHCGFSZSA-N 2 0 258.369 1.617 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001165569230 939570732 /nfs/dbraw/zinc/57/07/32/939570732.db2.gz SSRSEEHHFBMCRL-HNNXBMFYSA-N 2 0 291.439 1.370 20 30 CDEDRP C=CCOCC[NH2+]CCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001166448590 939609067 /nfs/dbraw/zinc/60/90/67/939609067.db2.gz WRLXYGSTJKNQGI-HNNXBMFYSA-N 2 0 299.459 1.405 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001205461426 939891088 /nfs/dbraw/zinc/89/10/88/939891088.db2.gz ITQQSHIXFSHIRN-MRXNPFEDSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCCC[NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001206138213 939985345 /nfs/dbraw/zinc/98/53/45/939985345.db2.gz JERXVUZWQWNTHD-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207697939 940232374 /nfs/dbraw/zinc/23/23/74/940232374.db2.gz OLOHNWPXCBWHPC-MGPQQGTHSA-N 2 0 267.417 1.339 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001208334375 940320099 /nfs/dbraw/zinc/32/00/99/940320099.db2.gz JAUYZZMHEUHCMG-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208446994 940331455 /nfs/dbraw/zinc/33/14/55/940331455.db2.gz FLEXZZAVFNTGID-CQSZACIVSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210493973 940694495 /nfs/dbraw/zinc/69/44/95/940694495.db2.gz QENJGEJBAUOSDN-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210773201 940711624 /nfs/dbraw/zinc/71/16/24/940711624.db2.gz HTVRTJILIJQZEY-AWEZNQCLSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214754782 940838550 /nfs/dbraw/zinc/83/85/50/940838550.db2.gz HBIKROVKYQJSRX-QLFBSQMISA-N 2 0 299.434 1.679 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001214952824 940847748 /nfs/dbraw/zinc/84/77/48/940847748.db2.gz NYVFAPQZPLTXGM-RBSFLKMASA-N 2 0 281.444 1.729 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215460725 940888024 /nfs/dbraw/zinc/88/80/24/940888024.db2.gz FEMPIIBDMGQWFZ-QLFBSQMISA-N 2 0 281.444 1.729 20 30 CDEDRP N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000402191836 940890775 /nfs/dbraw/zinc/89/07/75/940890775.db2.gz AZPJLPZNDWYYIY-HOCLYGCPSA-N 2 0 273.380 1.652 20 30 CDEDRP N#Cc1c2ccccc2sc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218648832 941251507 /nfs/dbraw/zinc/25/15/07/941251507.db2.gz KTCRUDSELVBHAD-NSHDSACASA-N 2 0 288.376 1.778 20 30 CDEDRP Cc1ncc(C#N)cc1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001218658533 941253652 /nfs/dbraw/zinc/25/36/52/941253652.db2.gz GASTYTVNPNFCCE-LBPRGKRZSA-N 2 0 275.356 1.047 20 30 CDEDRP C[C@@H](C#N)c1ccc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])cc1 ZINC001218870818 941282541 /nfs/dbraw/zinc/28/25/41/941282541.db2.gz BTWVFMFTPAFGOL-FZMZJTMJSA-N 2 0 274.368 1.708 20 30 CDEDRP Cc1cc(C#N)c(F)cc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219112582 941309893 /nfs/dbraw/zinc/30/98/93/941309893.db2.gz MZCRFJGGWCECGW-LBPRGKRZSA-N 2 0 278.331 1.401 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)N[C@@H]2CC[NH2+][C@H]2c2ccccc2)C1 ZINC001219818604 941389164 /nfs/dbraw/zinc/38/91/64/941389164.db2.gz GKPHZQBXOQPSTH-VYDXJSESSA-N 2 0 285.391 1.514 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223377930 941674060 /nfs/dbraw/zinc/67/40/60/941674060.db2.gz ATMRXZVYVJUXLY-CVEARBPZSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001227816716 942232191 /nfs/dbraw/zinc/23/21/91/942232191.db2.gz HHTLPCCIKMUTIA-CQSZACIVSA-N 2 0 265.401 1.093 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+](CC)CC ZINC001229213811 942433794 /nfs/dbraw/zinc/43/37/94/942433794.db2.gz LFPAWFVSKARTEK-HUUCEWRRSA-N 2 0 279.428 1.369 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001229716966 942515862 /nfs/dbraw/zinc/51/58/62/942515862.db2.gz NIYSOIBJULMFSI-HUUCEWRRSA-N 2 0 289.423 1.123 20 30 CDEDRP Cc1cc(C#N)ccc1C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001233082165 943488693 /nfs/dbraw/zinc/48/86/93/943488693.db2.gz BHAYOMZMPXCTTO-UHFFFAOYSA-N 2 0 286.423 1.546 20 30 CDEDRP C=CCOC(=O)N[C@H]1CCC[N@@H+](CCCC[NH3+])C1 ZINC001237250802 944709940 /nfs/dbraw/zinc/70/99/40/944709940.db2.gz YBPJOAKWSLWFPU-LBPRGKRZSA-N 2 0 255.362 1.102 20 30 CDEDRP C[N@@H+]1CCC[C@H](NC(=[NH2+])c2ccc(F)cn2)CC1 ZINC001254501920 947457820 /nfs/dbraw/zinc/45/78/20/947457820.db2.gz ADOHPYXQSFFFRI-NSHDSACASA-N 2 0 250.321 1.410 20 30 CDEDRP CCCCCCCC[C@@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC001246049744 947917882 /nfs/dbraw/zinc/91/78/82/947917882.db2.gz SQJMAVDVXFCEIT-QGZVFWFLSA-N 2 0 299.503 1.935 20 30 CDEDRP CC1(C#N)CCC([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246639927 948377354 /nfs/dbraw/zinc/37/73/54/948377354.db2.gz ZTZRDNGXTMJGHH-YMAMQOFZSA-N 2 0 262.401 1.096 20 30 CDEDRP N#C[C@@H]1C[C@@H]([NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)CCN1 ZINC001246666635 948395551 /nfs/dbraw/zinc/39/55/51/948395551.db2.gz ROEHJXDFPWDOMH-HRCADAONSA-N 2 0 276.428 1.485 20 30 CDEDRP C[C@@H]1C[C@H](N2CC[C@H]3SC(=O)C=C3C2)CC[NH2+]1 ZINC001246692940 948406605 /nfs/dbraw/zinc/40/66/05/948406605.db2.gz ITLPZYVDPURDGA-YUSALJHKSA-N 2 0 252.383 1.401 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)C1CCC(C#N)CC1 ZINC001256969006 948467338 /nfs/dbraw/zinc/46/73/38/948467338.db2.gz WTUKKHXIXKKRBW-UHFFFAOYSA-N 2 0 266.433 1.494 20 30 CDEDRP C=C1C[C@@H]2CC([NH2+]C[C@H](C[NH3+])C(=O)OC)C[C@H](C1)C2 ZINC001257888577 948655373 /nfs/dbraw/zinc/65/53/73/948655373.db2.gz UFVWHBRLYAJOIN-WJLOJVBCSA-N 2 0 266.385 1.459 20 30 CDEDRP Cc1cc(-c2noc([C@@H]3C[NH2+]CC34C[NH2+]C4)n2)ccc1C#N ZINC001247828131 948805670 /nfs/dbraw/zinc/80/56/70/948805670.db2.gz ATCBZBCNWJQBJC-ZDUSSCGKSA-N 2 0 295.346 1.193 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]C1CC[NH+](CCC)CC1 ZINC001252481377 951342376 /nfs/dbraw/zinc/34/23/76/951342376.db2.gz BYJNPZAEZJVWTE-AWEZNQCLSA-N 2 0 256.390 1.014 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001425889282 957635357 /nfs/dbraw/zinc/63/53/57/957635357.db2.gz RJAIWXRTYJNMOC-CHWSQXEVSA-N 2 0 287.835 1.660 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001340042196 962705120 /nfs/dbraw/zinc/70/51/20/962705120.db2.gz UYLRIHDZJILXHQ-RDBSUJKOSA-N 2 0 265.401 1.413 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC(O)(C[NH3+])CC1 ZINC001341127952 963287564 /nfs/dbraw/zinc/28/75/64/963287564.db2.gz UJDKMLUBDZPZPH-AWEZNQCLSA-N 2 0 299.459 1.377 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCC(C)CC1 ZINC001341539489 963456086 /nfs/dbraw/zinc/45/60/86/963456086.db2.gz MBTMFRWEXUMUGG-HNNXBMFYSA-N 2 0 281.444 1.908 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H]1C ZINC001448982063 967322938 /nfs/dbraw/zinc/32/29/38/967322938.db2.gz PVYJLTOEPACBPC-OLZOCXBDSA-N 2 0 287.835 1.660 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001100187934 967593900 /nfs/dbraw/zinc/59/39/00/967593900.db2.gz SPXZKGJAQLXSBT-RUXDESIVSA-N 2 0 265.401 1.141 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001100563437 968710181 /nfs/dbraw/zinc/71/01/81/968710181.db2.gz HNUYNQNGQMWOKL-UHFFFAOYSA-N 2 0 291.439 1.369 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133090377 1163567001 /nfs/dbraw/zinc/56/70/01/1163567001.db2.gz GZVUHKJNLLJXBK-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001133181563 1163598414 /nfs/dbraw/zinc/59/84/14/1163598414.db2.gz CYRCKXJEDAFOAY-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001133229008 1163608794 /nfs/dbraw/zinc/60/87/94/1163608794.db2.gz DTQAZJADDGVBFF-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001133311221 1163630537 /nfs/dbraw/zinc/63/05/37/1163630537.db2.gz WEWIFJNLSAJBHW-JKSUJKDBSA-N 2 0 293.455 1.733 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001133347364 1163649594 /nfs/dbraw/zinc/64/95/94/1163649594.db2.gz WIJPIGCBJWOEHB-JKSUJKDBSA-N 2 0 293.455 1.424 20 30 CDEDRP CN(CCC#N)C[C@H](O)C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000591241574 342622419 /nfs/dbraw/zinc/62/24/19/342622419.db2.gz IZHZRNKDRLIMCM-CQSZACIVSA-N 2 0 296.459 1.092 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592255984 342683242 /nfs/dbraw/zinc/68/32/42/342683242.db2.gz VLFXTXUALYBUTI-KKUMJFAQSA-N 2 0 292.427 1.246 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000595984421 343211475 /nfs/dbraw/zinc/21/14/75/343211475.db2.gz SGVMQLMVZHUEQP-OAHLLOKOSA-N 2 0 292.427 1.246 20 30 CDEDRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)CC[N@@H+]1C ZINC000598721914 343884395 /nfs/dbraw/zinc/88/43/95/343884395.db2.gz XVNQUOPFXVVJCU-AGIUHOORSA-N 2 0 253.390 1.359 20 30 CDEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000602526058 344454479 /nfs/dbraw/zinc/45/44/79/344454479.db2.gz OCITYELSZAKAJN-LSDHHAIUSA-N 2 0 295.427 1.132 20 30 CDEDRP CN(CCC[N@H+](C)CC1(CC#N)CC1)CC[NH+](C)C ZINC000602827143 344612806 /nfs/dbraw/zinc/61/28/06/344612806.db2.gz AHNAAADUQJDTNN-UHFFFAOYSA-N 2 0 266.433 1.496 20 30 CDEDRP N#Cc1cccc(NC(=O)CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000603910543 350327642 /nfs/dbraw/zinc/32/76/42/350327642.db2.gz UAOGFFNEELNOGK-KBPBESRZSA-N 2 0 284.363 1.038 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccs1 ZINC000264056192 362954219 /nfs/dbraw/zinc/95/42/19/362954219.db2.gz AWLFZMXIHSYGEP-NSHDSACASA-N 2 0 266.414 1.637 20 30 CDEDRP C=CCNC(=[NH2+])NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264079945 362960127 /nfs/dbraw/zinc/96/01/27/362960127.db2.gz HAGZXFLRTVVZAM-INIZCTEOSA-N 2 0 286.423 1.641 20 30 CDEDRP COCC[N@H+](C)CCCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000264093611 362965249 /nfs/dbraw/zinc/96/52/49/362965249.db2.gz LVRWQAXRULRZIH-UHFFFAOYSA-N 2 0 292.427 1.998 20 30 CDEDRP COCCNC(=[NH2+])NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000264119746 362972525 /nfs/dbraw/zinc/97/25/25/362972525.db2.gz QPZTXXFRQXXAFD-OAHLLOKOSA-N 2 0 290.411 1.374 20 30 CDEDRP Cn1cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1C#N ZINC000290585293 357226772 /nfs/dbraw/zinc/22/67/72/357226772.db2.gz UWCXUWIDGFGCON-ZBFHGGJFSA-N 2 0 272.396 1.813 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426357110 358440562 /nfs/dbraw/zinc/44/05/62/358440562.db2.gz BPVSQLAYDZGEIK-INIZCTEOSA-N 2 0 291.439 1.770 20 30 CDEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000070188165 358913485 /nfs/dbraw/zinc/91/34/85/358913485.db2.gz CAKZPFNTGILIJG-UHFFFAOYSA-N 2 0 265.401 1.248 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297583915 200233313 /nfs/dbraw/zinc/23/33/13/200233313.db2.gz UJWAQNIGCWMDCQ-UHFFFAOYSA-N 2 0 299.378 1.089 20 30 CDEDRP CN(CCC#N)C(=O)CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000337284592 360062338 /nfs/dbraw/zinc/06/23/38/360062338.db2.gz ZBLRPCKADVXFEL-UHFFFAOYSA-N 2 0 280.416 1.166 20 30 CDEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357067338 366734692 /nfs/dbraw/zinc/73/46/92/366734692.db2.gz COPPBLHIYCNXIX-MRXNPFEDSA-N 2 0 291.439 1.509 20 30 CDEDRP C=CCC[C@H](O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683018 364396539 /nfs/dbraw/zinc/39/65/39/364396539.db2.gz RCMKLCRFEFKCNK-INIZCTEOSA-N 2 0 275.396 1.921 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1nccs1 ZINC000170909285 365159590 /nfs/dbraw/zinc/15/95/90/365159590.db2.gz YXAZJUNWBLAXRP-LLVKDONJSA-N 2 0 281.429 1.074 20 30 CDEDRP CC(C)C[C@H](CNC(=[NH2+])Nc1ccccn1)[NH+](C)C ZINC000170910254 365161136 /nfs/dbraw/zinc/16/11/36/365161136.db2.gz IQZSCFYGNGIKOH-GFCCVEGCSA-N 2 0 263.389 1.785 20 30 CDEDRP C[C@H]1C[NH+]=C(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)N1 ZINC000262644055 370440196 /nfs/dbraw/zinc/44/01/96/370440196.db2.gz IOCUTQOLZUHGKR-GOEBONIOSA-N 2 0 286.423 1.978 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCC[NH2+]CC)CC1 ZINC000579452056 372571000 /nfs/dbraw/zinc/57/10/00/372571000.db2.gz MZUMCHPSSMLKHY-UHFFFAOYSA-N 2 0 282.432 1.326 20 30 CDEDRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCOC1 ZINC000328786293 375969545 /nfs/dbraw/zinc/96/95/45/375969545.db2.gz KTDNYQSSXPQRFN-QWHCGFSZSA-N 2 0 295.427 1.584 20 30 CDEDRP C#CC[N@@H+](C)CCCNc1nc2ccccc2n1C ZINC000292865803 377648745 /nfs/dbraw/zinc/64/87/45/377648745.db2.gz SMYFVKMYPRPFJR-UHFFFAOYSA-N 2 0 256.353 1.940 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000417532271 377889715 /nfs/dbraw/zinc/88/97/15/377889715.db2.gz DZMVSRFIBOUADY-OAHLLOKOSA-N 2 0 296.459 1.700 20 30 CDEDRP C=C[C@H](CO)NCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000352465454 391148557 /nfs/dbraw/zinc/14/85/57/391148557.db2.gz KCTVQMNVOISNOI-LLVKDONJSA-N 2 0 281.425 1.546 20 30 CDEDRP C=CCOCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000339045600 391246217 /nfs/dbraw/zinc/24/62/17/391246217.db2.gz XAOAXEJKJJKUSX-RRFJBIMHSA-N 2 0 268.401 1.373 20 30 CDEDRP C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000339059097 391248573 /nfs/dbraw/zinc/24/85/73/391248573.db2.gz FMUGCSUMZDGHED-YYIAUSFCSA-N 2 0 290.455 1.636 20 30 CDEDRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000330450672 391434669 /nfs/dbraw/zinc/43/46/69/391434669.db2.gz JEKMRGHUDUPRPO-NUEKZKHPSA-N 2 0 279.428 1.703 20 30 CDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647797981 391660108 /nfs/dbraw/zinc/66/01/08/391660108.db2.gz JBTFASUOBQJJHW-RYPNDVFKSA-N 2 0 250.386 1.698 20 30 CDEDRP CC(C)[N@H+](C)Cc1ccccc1CNC1=[NH+]C[C@@H](C)N1 ZINC000262669726 391810112 /nfs/dbraw/zinc/81/01/12/391810112.db2.gz QLOOXQQKGMPCAI-CYBMUJFWSA-N 2 0 274.412 1.964 20 30 CDEDRP C=CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000414685932 263032227 /nfs/dbraw/zinc/03/22/27/263032227.db2.gz FEGJJKUYQASHAX-MCIONIFRSA-N 2 0 286.441 1.050 20 30 CDEDRP C=C(C)CN1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000563422864 328064214 /nfs/dbraw/zinc/06/42/14/328064214.db2.gz HHXWQSSKRILGJF-DZGCQCFKSA-N 2 0 251.418 1.886 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000563809271 328520617 /nfs/dbraw/zinc/52/06/17/328520617.db2.gz UTYGHPHYZXNLHW-STQMWFEESA-N 2 0 282.432 1.452 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000178151028 329196718 /nfs/dbraw/zinc/19/67/18/329196718.db2.gz GHWJICKOPKCXGG-UHFFFAOYSA-N 2 0 279.428 1.485 20 30 CDEDRP CC[NH+]=C(NCC1(O)CCC1)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000262789297 330031581 /nfs/dbraw/zinc/03/15/81/330031581.db2.gz NLYGZRPTTSVKMY-QWHCGFSZSA-N 2 0 294.443 1.082 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000423372992 330195382 /nfs/dbraw/zinc/19/53/82/330195382.db2.gz GOAZJINXQGWSOR-JSGCOSHPSA-N 2 0 267.417 1.372 20 30 CDEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000423455008 330203369 /nfs/dbraw/zinc/20/33/69/330203369.db2.gz MCTRFMZSPKJCTB-LBEHMCEESA-N 2 0 293.455 1.824 20 30 CDEDRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000424079285 330221609 /nfs/dbraw/zinc/22/16/09/330221609.db2.gz RAERHZWGLAOXBN-RISCZKNCSA-N 2 0 274.368 1.344 20 30 CDEDRP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424136378 330272283 /nfs/dbraw/zinc/27/22/83/330272283.db2.gz AMOYCFVMMIHODP-MGPQQGTHSA-N 2 0 278.400 1.093 20 30 CDEDRP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)c1cccs1 ZINC000424139607 330279806 /nfs/dbraw/zinc/27/98/06/330279806.db2.gz RLXQYMJVYRSZBC-RYUDHWBXSA-N 2 0 294.424 1.488 20 30 CDEDRP CC1CC[NH+](CCCNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424144739 330290083 /nfs/dbraw/zinc/29/00/83/330290083.db2.gz XYYKXBVYOGPBOB-AWEZNQCLSA-N 2 0 280.416 1.246 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000424179781 330318698 /nfs/dbraw/zinc/31/86/98/330318698.db2.gz UKIAULWVLNFGJK-CQSZACIVSA-N 2 0 280.416 1.375 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000424187818 330321154 /nfs/dbraw/zinc/32/11/54/330321154.db2.gz BLISUIFFTMKNNM-GJZGRUSLSA-N 2 0 286.379 1.181 20 30 CDEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442791553 330783839 /nfs/dbraw/zinc/78/38/39/330783839.db2.gz JPAMSQUMVNHXNT-OAGGEKHMSA-N 2 0 278.444 1.542 20 30 CDEDRP C#CCN1CCN(C(=O)C[N@@H+](C)[C@H]2CCC[C@H](C)C2)CC1 ZINC000490780363 332115202 /nfs/dbraw/zinc/11/52/02/332115202.db2.gz KONDJMXVIYJNPH-HOTGVXAUSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000491473012 332217449 /nfs/dbraw/zinc/21/74/49/332217449.db2.gz AMBTZGRSEOWROJ-UHFFFAOYSA-N 2 0 287.407 1.433 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]CC(C)C)CC1 ZINC001754416607 1159205684 /nfs/dbraw/zinc/20/56/84/1159205684.db2.gz QMWMIHHBCQQMFZ-UHFFFAOYSA-N 2 0 293.455 1.426 20 30 CDEDRP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001753784713 1159906278 /nfs/dbraw/zinc/90/62/78/1159906278.db2.gz QZCPVDPZLNPWFS-MRXNPFEDSA-N 2 0 293.455 1.712 20 30 CDEDRP C=CC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001752836038 1160626880 /nfs/dbraw/zinc/62/68/80/1160626880.db2.gz KCUAWLSSIJASCB-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCN1CC[C@H]([N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)C1=O ZINC000335277593 526504981 /nfs/dbraw/zinc/50/49/81/526504981.db2.gz JWBFDSPEMQFRMT-KBPBESRZSA-N 2 0 277.412 1.237 20 30 CDEDRP C#CCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000766941800 575103413 /nfs/dbraw/zinc/10/34/13/575103413.db2.gz RXPKCQONEHLRCW-CVEARBPZSA-N 2 0 263.429 1.358 20 30 CDEDRP C#CCCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000766930490 576147091 /nfs/dbraw/zinc/14/70/91/576147091.db2.gz HEDPGSHPKHUMSJ-QLFBSQMISA-N 2 0 250.386 1.583 20 30 CDEDRP C[C@H]1CC(N=NC(N)=[NH2+])C[N@H+](Cc2ccccc2)C1 ZINC000767356184 576183349 /nfs/dbraw/zinc/18/33/49/576183349.db2.gz OJKSZDGULGCYMH-NSHDSACASA-N 2 0 259.357 1.367 20 30 CDEDRP C[C@@H]1C[C@@H](C)C[NH+]([C@H]2CCCCC2N=NC(N)=[NH2+])C1 ZINC000751516753 577046926 /nfs/dbraw/zinc/04/69/26/577046926.db2.gz MECTXRQSWONNAE-WZRBSPASSA-N 2 0 265.405 1.746 20 30 CDEDRP C#CCC[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000981743442 613002010 /nfs/dbraw/zinc/00/20/10/613002010.db2.gz ZNYGKRLTHVTKPW-UHFFFAOYSA-N 2 0 291.439 1.418 20 30 CDEDRP C#CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000943333898 613258511 /nfs/dbraw/zinc/25/85/11/613258511.db2.gz KQDNPDLEMYCYBH-HOCLYGCPSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947778407 613258919 /nfs/dbraw/zinc/25/89/19/613258919.db2.gz CJMRBBATAXRJPW-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC000971715351 613283484 /nfs/dbraw/zinc/28/34/84/613283484.db2.gz GDHOLBGYKAZPIS-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000981437836 613309749 /nfs/dbraw/zinc/30/97/49/613309749.db2.gz FOKRLHPXOWOQMZ-CQSZACIVSA-N 2 0 267.417 1.437 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939054794 613386266 /nfs/dbraw/zinc/38/62/66/613386266.db2.gz PFAMTGAIDPHJOY-BXUZGUMPSA-N 2 0 299.846 1.517 20 30 CDEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000969707117 613531281 /nfs/dbraw/zinc/53/12/81/613531281.db2.gz SWDGOBPGXHDJKL-VNQPRFMTSA-N 2 0 291.439 1.177 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948039181 613534886 /nfs/dbraw/zinc/53/48/86/613534886.db2.gz DZMGZJPCHNGOEW-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968460335 613771758 /nfs/dbraw/zinc/77/17/58/613771758.db2.gz SMCCKCTWFSBBGD-JKSUJKDBSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000969169652 613864648 /nfs/dbraw/zinc/86/46/48/613864648.db2.gz GITPSLZTPCVTQE-CABCVRRESA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000968644586 613864676 /nfs/dbraw/zinc/86/46/76/613864676.db2.gz CFAAQJZEJYJYHW-KGLIPLIRSA-N 2 0 265.401 1.236 20 30 CDEDRP C[C@@H](C[NH2+]CC#Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000892928732 617915114 /nfs/dbraw/zinc/91/51/14/617915114.db2.gz NRHKGQZXCCVNHY-KRWDZBQOSA-N 2 0 285.435 1.511 20 30 CDEDRP N#Cc1ccc(NCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000925892471 617985950 /nfs/dbraw/zinc/98/59/50/617985950.db2.gz BMOVOGPWSCSYMZ-BZUAXINKSA-N 2 0 299.422 1.875 20 30 CDEDRP CC[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cccc(C#N)c1 ZINC000902954931 625688565 /nfs/dbraw/zinc/68/85/65/625688565.db2.gz ZMSXAMYNIPLKSP-CVEARBPZSA-N 2 0 273.380 1.666 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000911634388 629377932 /nfs/dbraw/zinc/37/79/32/629377932.db2.gz NJKQBUQPMMGRPD-QWHCGFSZSA-N 2 0 253.390 1.128 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(NC[C@@H]1CCCS1)=[NH+]C ZINC000157326697 630595144 /nfs/dbraw/zinc/59/51/44/630595144.db2.gz ZYFWZGRAGNJBTH-OLZOCXBDSA-N 2 0 284.473 1.531 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435955 1162474610 /nfs/dbraw/zinc/47/46/10/1162474610.db2.gz KPKFQJXCTJSEME-TZMCWYRMSA-N 2 0 267.417 1.387 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130203635 1162569723 /nfs/dbraw/zinc/56/97/23/1162569723.db2.gz RLEUBELTFUEZDW-CQSZACIVSA-N 2 0 269.433 1.779 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)c1ccccc1CC[NH+](C)C ZINC001131799458 1163055759 /nfs/dbraw/zinc/05/57/59/1163055759.db2.gz OOXDZOXBUWZHGH-UHFFFAOYSA-N 2 0 289.423 1.686 20 30 CDEDRP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001753784708 1159906427 /nfs/dbraw/zinc/90/64/27/1159906427.db2.gz QZCPVDPZLNPWFS-INIZCTEOSA-N 2 0 293.455 1.712 20 30 CDEDRP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028548435 1159974843 /nfs/dbraw/zinc/97/48/43/1159974843.db2.gz AJZIRVPEVKAYDW-RBSFLKMASA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132093848 1163167849 /nfs/dbraw/zinc/16/78/49/1163167849.db2.gz DNOXLVCIQBAZCD-KBPBESRZSA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001086198387 1161966544 /nfs/dbraw/zinc/96/65/44/1161966544.db2.gz ROCGLWVESPRGSE-XQLPTFJDSA-N 2 0 279.428 1.245 20 30 CDEDRP C#CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132517587 1163336293 /nfs/dbraw/zinc/33/62/93/1163336293.db2.gz FGPSFMSOXNEJBH-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001132736758 1163459135 /nfs/dbraw/zinc/45/91/35/1163459135.db2.gz CMGLRCSWIRJZQB-HNNXBMFYSA-N 2 0 297.443 1.017 20 30 CDEDRP C=CCC[C@@H](O)C[NH2+][C@H]1CCN(C2CCOCC2)C1 ZINC001252619996 1164721968 /nfs/dbraw/zinc/72/19/68/1164721968.db2.gz PXBKZLLNSANCLG-DZGCQCFKSA-N 2 0 268.401 1.156 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@]2(C)C[C@@H]([NH3+])CCO2)CC1 ZINC001574836846 1171021663 /nfs/dbraw/zinc/02/16/63/1171021663.db2.gz VIUMVUZGVGWDOF-XJKSGUPXSA-N 2 0 295.427 1.040 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1C[C@H]([NH3+])C1)C(C)C ZINC001574927373 1171052783 /nfs/dbraw/zinc/05/27/83/1171052783.db2.gz LOWAJAMDPFGSSN-RBSFLKMASA-N 2 0 294.443 1.474 20 30 CDEDRP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001752543869 1184878566 /nfs/dbraw/zinc/87/85/66/1184878566.db2.gz VLWNAHFUDCKDHR-IYBDPMFKSA-N 2 0 293.455 1.970 20 30 CDEDRP CC#CC[NH2+][C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001752876510 1184946835 /nfs/dbraw/zinc/94/68/35/1184946835.db2.gz AHNVCMQYNAMYJT-GFCCVEGCSA-N 2 0 293.436 1.541 20 30 CDEDRP C#CC[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001752889899 1184951486 /nfs/dbraw/zinc/95/14/86/1184951486.db2.gz CGHWDAOXAZNNFX-AWEZNQCLSA-N 2 0 279.428 1.226 20 30 CDEDRP CC#CC[NH2+][C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001752901381 1184956526 /nfs/dbraw/zinc/95/65/26/1184956526.db2.gz PIOKDEJTVYDWOH-CJNGLKHVSA-N 2 0 297.418 1.317 20 30 CDEDRP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001754182148 1185496532 /nfs/dbraw/zinc/49/65/32/1185496532.db2.gz PBRBVTYEAYOAEC-SWJNODNISA-N 2 0 291.439 1.841 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001754714121 1185713163 /nfs/dbraw/zinc/71/31/63/1185713163.db2.gz ZEXLEYMHHDWUMY-KRWDZBQOSA-N 2 0 293.455 1.877 20 30 CDEDRP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001754803412 1185735087 /nfs/dbraw/zinc/73/50/87/1185735087.db2.gz BTTREEAMYHEQJD-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001754826287 1185741953 /nfs/dbraw/zinc/74/19/53/1185741953.db2.gz YLFSUHIUWKCBRM-GJZGRUSLSA-N 2 0 281.444 1.588 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001754868200 1185753405 /nfs/dbraw/zinc/75/34/05/1185753405.db2.gz NIQTZANQMXQJLE-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001754985327 1185779412 /nfs/dbraw/zinc/77/94/12/1185779412.db2.gz OJSPRQLMULMRPV-GJZGRUSLSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001755134652 1185827153 /nfs/dbraw/zinc/82/71/53/1185827153.db2.gz JXRLZLUEEPLMEI-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001755242695 1185872142 /nfs/dbraw/zinc/87/21/42/1185872142.db2.gz OPTITSYYFXKXOR-VXGBXAGGSA-N 2 0 284.363 1.372 20 30 CDEDRP C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001755242694 1185872247 /nfs/dbraw/zinc/87/22/47/1185872247.db2.gz OPTITSYYFXKXOR-RYUDHWBXSA-N 2 0 284.363 1.372 20 30 CDEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001755618914 1186014028 /nfs/dbraw/zinc/01/40/28/1186014028.db2.gz PZKYFCFDTHXRIE-GJZGRUSLSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001755618917 1186014048 /nfs/dbraw/zinc/01/40/48/1186014048.db2.gz PZYWPITVGJECPB-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001755690636 1186038497 /nfs/dbraw/zinc/03/84/97/1186038497.db2.gz PMBHQZIWWVNLRA-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015898772 758859224 /nfs/dbraw/zinc/85/92/24/758859224.db2.gz IPXDSGRJDQFAKJ-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[N@H+]1CCCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000989486618 758890929 /nfs/dbraw/zinc/89/09/29/758890929.db2.gz OXTRHJRPFQUOPV-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001072816937 758892644 /nfs/dbraw/zinc/89/26/44/758892644.db2.gz ICOHHNJMFTZRQD-UHFFFAOYSA-N 2 0 289.423 1.028 20 30 CDEDRP CCO[C@@H](CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)C(C)C ZINC000304771356 769524982 /nfs/dbraw/zinc/52/49/82/769524982.db2.gz AAHZOKNTVUPMAI-GJZGRUSLSA-N 2 0 298.475 1.826 20 30 CDEDRP C=CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001049645399 768863912 /nfs/dbraw/zinc/86/39/12/768863912.db2.gz NGFHBIUQUCUHDN-QLFBSQMISA-N 2 0 277.412 1.332 20 30 CDEDRP CCCCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000303874344 768874828 /nfs/dbraw/zinc/87/48/28/768874828.db2.gz DAGIYPVISJDUQU-STQMWFEESA-N 2 0 254.422 1.811 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000996560484 769074632 /nfs/dbraw/zinc/07/46/32/769074632.db2.gz ILKINXDBICVTFS-HNNXBMFYSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071822028 769248607 /nfs/dbraw/zinc/24/86/07/769248607.db2.gz UTUFFHLVAGYOOH-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001033687202 769368793 /nfs/dbraw/zinc/36/87/93/769368793.db2.gz ZQZXSFRUZNMYRY-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046777095 769384329 /nfs/dbraw/zinc/38/43/29/769384329.db2.gz QORJMOLKMINYHZ-INIZCTEOSA-N 2 0 291.439 1.629 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001054734797 769433505 /nfs/dbraw/zinc/43/35/05/769433505.db2.gz DDBYBPGGMNLZSE-DZGCQCFKSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001027576843 769501102 /nfs/dbraw/zinc/50/11/02/769501102.db2.gz YAUFPCGXJRDITN-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])NC[C@H]1CCC[NH+]1CC ZINC000303968102 769728843 /nfs/dbraw/zinc/72/88/43/769728843.db2.gz AJGTWQORUHUITQ-ZIAGYGMSSA-N 3 0 283.464 1.105 20 30 CDEDRP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034214164 769796642 /nfs/dbraw/zinc/79/66/42/769796642.db2.gz HUVPCCKFNPOUSE-OWCLPIDISA-N 2 0 291.439 1.321 20 30 CDEDRP N#CC[C@@H](O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000930077736 769809344 /nfs/dbraw/zinc/80/93/44/769809344.db2.gz GBMMNNBYPIBBBL-MRXNPFEDSA-N 2 0 279.428 1.849 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994248493 769834333 /nfs/dbraw/zinc/83/43/33/769834333.db2.gz FIXSHZXJXQBPAP-GJZGRUSLSA-N 2 0 289.423 1.075 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NCC1([NH+](C)C)CCC1 ZINC000849020700 769845639 /nfs/dbraw/zinc/84/56/39/769845639.db2.gz XTMWGWGGSWKVIL-UHFFFAOYSA-N 2 0 264.373 1.429 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028111536 769861796 /nfs/dbraw/zinc/86/17/96/769861796.db2.gz NVKCHPXAAFUWKR-CQSZACIVSA-N 2 0 265.401 1.095 20 30 CDEDRP C[N@@H+]1CCC[C@]2(CCN(CCOCCC#N)C2)C1 ZINC000815146275 770322481 /nfs/dbraw/zinc/32/24/81/770322481.db2.gz PKRNYQONRDMSKI-AWEZNQCLSA-N 2 0 251.374 1.334 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000998794702 770399925 /nfs/dbraw/zinc/39/99/25/770399925.db2.gz DWUPFECXYVPCOD-BLYZHGLHSA-N 2 0 265.401 1.092 20 30 CDEDRP C#CCOCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134010 770827469 /nfs/dbraw/zinc/82/74/69/770827469.db2.gz AGNJIHUNTUBBQY-CQSZACIVSA-N 2 0 259.353 1.242 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049896248 770893874 /nfs/dbraw/zinc/89/38/74/770893874.db2.gz LZQOZLHXVCJSCU-JKSUJKDBSA-N 2 0 289.423 1.171 20 30 CDEDRP COc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000303900114 771107922 /nfs/dbraw/zinc/10/79/22/771107922.db2.gz RZRABLCTSGHYDG-NSHDSACASA-N 2 0 262.357 1.374 20 30 CDEDRP C[NH+]=C(NCc1cnc(C)s1)N[C@H]1CCN(C2CC2)C1 ZINC000083134574 771279244 /nfs/dbraw/zinc/27/92/44/771279244.db2.gz MJZLUQLHACDSMA-NSHDSACASA-N 2 0 293.440 1.353 20 30 CDEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001035667907 771311103 /nfs/dbraw/zinc/31/11/03/771311103.db2.gz AWLFMSZQFGCNQG-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052931775 771350012 /nfs/dbraw/zinc/35/00/12/771350012.db2.gz CIPYEYCZQFIBJF-KBPBESRZSA-N 2 0 299.846 1.661 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001044629619 771443739 /nfs/dbraw/zinc/44/37/39/771443739.db2.gz NTZSFGOQFMIUII-ZIAGYGMSSA-N 2 0 277.412 1.073 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001018971866 771819083 /nfs/dbraw/zinc/81/90/83/771819083.db2.gz XQCILPQFKPGCLW-ZDUSSCGKSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994247220 771833563 /nfs/dbraw/zinc/83/35/63/771833563.db2.gz CMKRGCDXOGDWTD-CABCVRRESA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)CC[NH+]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989480227 771847537 /nfs/dbraw/zinc/84/75/37/771847537.db2.gz DYKBVGVXCSZBOZ-INIZCTEOSA-N 2 0 293.455 1.829 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015119677 771879014 /nfs/dbraw/zinc/87/90/14/771879014.db2.gz MNUYLCUUZWWMTG-CYBMUJFWSA-N 2 0 270.336 1.324 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001038271796 771879365 /nfs/dbraw/zinc/87/93/65/771879365.db2.gz GGSWGFAMIDHFLS-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001033777795 771906796 /nfs/dbraw/zinc/90/67/96/771906796.db2.gz XBLXNSJGQHQTJH-CABCVRRESA-N 2 0 277.412 1.027 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC2C[NH+](C[C@@H](C)CC)C2)CC1 ZINC001031434880 771910597 /nfs/dbraw/zinc/91/05/97/771910597.db2.gz IRDUQDXIUZBDPF-AWEZNQCLSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC=C)CC1 ZINC001028333824 772069517 /nfs/dbraw/zinc/06/95/17/772069517.db2.gz RJPYYBJUYUGZRO-MRXNPFEDSA-N 2 0 289.423 1.098 20 30 CDEDRP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001045557479 772081345 /nfs/dbraw/zinc/08/13/45/772081345.db2.gz MCGMIUVHYFGXLE-CABCVRRESA-N 2 0 291.439 1.178 20 30 CDEDRP C[C@@H]1C[C@H]([NH2+]CCNc2ccc(C#N)cn2)CC[N@@H+]1C ZINC000927164494 772090724 /nfs/dbraw/zinc/09/07/24/772090724.db2.gz LDFWGPHIASJASG-TZMCWYRMSA-N 2 0 273.384 1.437 20 30 CDEDRP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015597380 772151099 /nfs/dbraw/zinc/15/10/99/772151099.db2.gz RBVAOMRJORLTMS-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994257866 772159807 /nfs/dbraw/zinc/15/98/07/772159807.db2.gz USHRUQXRVCEKHJ-LSDHHAIUSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC001044820987 772310548 /nfs/dbraw/zinc/31/05/48/772310548.db2.gz DYDRHZZWMCFPTM-LSDHHAIUSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001032582385 772312585 /nfs/dbraw/zinc/31/25/85/772312585.db2.gz WMRSRDRPQFNXMB-PMPSAXMXSA-N 2 0 289.423 1.027 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001003628420 772320867 /nfs/dbraw/zinc/32/08/67/772320867.db2.gz PDMLVZKLUKVPFN-CQSZACIVSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027331225 772329574 /nfs/dbraw/zinc/32/95/74/772329574.db2.gz DJGJBHXTUSZECV-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP CC[C@@H](C)NC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000303365989 772341392 /nfs/dbraw/zinc/34/13/92/772341392.db2.gz GZZGTAKPOWJYBQ-OLZOCXBDSA-N 2 0 254.422 1.810 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000996720674 772571355 /nfs/dbraw/zinc/57/13/55/772571355.db2.gz HFCUHQGYHLMCBZ-UHFFFAOYSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033095019 772613383 /nfs/dbraw/zinc/61/33/83/772613383.db2.gz NSOSHNUDUWZLRG-HZSPNIEDSA-N 2 0 265.401 1.045 20 30 CDEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001041678639 772642389 /nfs/dbraw/zinc/64/23/89/772642389.db2.gz JPBHWFUFZQRXIO-DOTOQJQBSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000996799004 772686413 /nfs/dbraw/zinc/68/64/13/772686413.db2.gz UEYJZWAASBCHMH-UHFFFAOYSA-N 2 0 284.363 1.715 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001050561465 772718247 /nfs/dbraw/zinc/71/82/47/772718247.db2.gz UALSEHNDJIHRFQ-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001019380775 772833152 /nfs/dbraw/zinc/83/31/52/772833152.db2.gz MAPDAGSAMCMWLH-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001039311053 772874783 /nfs/dbraw/zinc/87/47/83/772874783.db2.gz BEAAJXMWJRNRDY-MQVJKMGUSA-N 2 0 291.439 1.770 20 30 CDEDRP C#CCNC(=O)CC[NH2+][C@H](Cn1ccnc1)c1ccccc1 ZINC000880570194 772927213 /nfs/dbraw/zinc/92/72/13/772927213.db2.gz UKALLSQWVBOXPQ-MRXNPFEDSA-N 2 0 296.374 1.354 20 30 CDEDRP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001035166561 772963733 /nfs/dbraw/zinc/96/37/33/772963733.db2.gz QDYCHRDSHSKEPZ-OAHLLOKOSA-N 2 0 289.423 1.028 20 30 CDEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001035850743 773018120 /nfs/dbraw/zinc/01/81/20/773018120.db2.gz CXPJJBGQOJUHFL-UHFFFAOYSA-N 2 0 291.439 1.583 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052678122 773020026 /nfs/dbraw/zinc/02/00/26/773020026.db2.gz UUYDMIOBXLPGKZ-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001019094833 773060059 /nfs/dbraw/zinc/06/00/59/773060059.db2.gz OFYGOGHIAJFDAM-AWEZNQCLSA-N 2 0 284.363 1.715 20 30 CDEDRP CCCCOCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000104153629 773060372 /nfs/dbraw/zinc/06/03/72/773060372.db2.gz HFOIVSFOISXKBA-AWEZNQCLSA-N 2 0 284.448 1.582 20 30 CDEDRP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023377529 773080905 /nfs/dbraw/zinc/08/09/05/773080905.db2.gz PGQNFVLAPIEOKK-BZUAXINKSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCC)[C@@H]2C)CC1 ZINC000987566561 773095306 /nfs/dbraw/zinc/09/53/06/773095306.db2.gz CBEGJDXRSRHWAQ-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033663508 773394420 /nfs/dbraw/zinc/39/44/20/773394420.db2.gz WHOSDSYJMGYJSS-ZIAGYGMSSA-N 2 0 265.401 1.047 20 30 CDEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1C)C2 ZINC001095234278 912668524 /nfs/dbraw/zinc/66/85/24/912668524.db2.gz OJDJMSGPBUWFBV-QPSCCSFWSA-N 2 0 277.412 1.378 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127253982 913146837 /nfs/dbraw/zinc/14/68/37/913146837.db2.gz BSGGBAICBRHFTJ-KGLIPLIRSA-N 2 0 265.401 1.143 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175265488 913520027 /nfs/dbraw/zinc/52/00/27/913520027.db2.gz YKTZGHITWYDNGA-HZPDHXFCSA-N 2 0 293.455 1.616 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175565043 913679620 /nfs/dbraw/zinc/67/96/20/913679620.db2.gz GHXLJPXGUYTYBY-HNNXBMFYSA-N 2 0 293.455 1.616 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106281892 913785018 /nfs/dbraw/zinc/78/50/18/913785018.db2.gz JMTUBYCPMZRIIU-OAGGEKHMSA-N 2 0 293.455 1.280 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176058413 913943563 /nfs/dbraw/zinc/94/35/63/913943563.db2.gz WXCSXGXFCDNJFJ-ZDUSSCGKSA-N 2 0 253.390 1.000 20 30 CDEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001176167017 913977626 /nfs/dbraw/zinc/97/76/26/913977626.db2.gz VXSDWWJDPBEANE-CQSZACIVSA-N 2 0 285.432 1.015 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106591831 914051100 /nfs/dbraw/zinc/05/11/00/914051100.db2.gz LMWJXZVDIDFROB-HUUCEWRRSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CCCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001267331024 897611090 /nfs/dbraw/zinc/61/10/90/897611090.db2.gz VMKKPBBPFGBYQJ-OAHLLOKOSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C[C@H](F)CC)CC1 ZINC001176926216 914361295 /nfs/dbraw/zinc/36/12/95/914361295.db2.gz JNWYACVAJAFBBZ-OAHLLOKOSA-N 2 0 297.418 1.176 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001088278093 906780313 /nfs/dbraw/zinc/78/03/13/906780313.db2.gz OPVNGGANQCUPPS-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001088335178 906944529 /nfs/dbraw/zinc/94/45/29/906944529.db2.gz XRNNVRHLRSPZPL-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCN1CCC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1=O ZINC001168305894 908952321 /nfs/dbraw/zinc/95/23/21/908952321.db2.gz SPISUFMOWBXVFT-YMAMQOFZSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001092910049 909532986 /nfs/dbraw/zinc/53/29/86/909532986.db2.gz QBXVQVAFTQHZOV-FXUDXRNXSA-N 2 0 293.455 1.587 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1C ZINC001088816502 909609780 /nfs/dbraw/zinc/60/97/80/909609780.db2.gz FIQWJDKUMCBALI-XGUBFFRZSA-N 2 0 279.428 1.482 20 30 CDEDRP Cc1c(F)cccc1NC(=O)CC[NH2+]CC#CC[NH+](C)C ZINC001120492488 911992352 /nfs/dbraw/zinc/99/23/52/911992352.db2.gz MADWPSHJTSCAMA-UHFFFAOYSA-N 2 0 291.370 1.617 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001178501747 915445783 /nfs/dbraw/zinc/44/57/83/915445783.db2.gz AZEXTGPFKHWSRW-INIZCTEOSA-N 2 0 291.439 1.228 20 30 CDEDRP C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[NH+]1CCCCC1 ZINC000691601328 915686445 /nfs/dbraw/zinc/68/64/45/915686445.db2.gz LILFJDAKQWSGAJ-UONOGXRCSA-N 2 0 280.416 1.388 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001179655842 915916579 /nfs/dbraw/zinc/91/65/79/915916579.db2.gz AAWBHGJGKQFBKB-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124877720 936339768 /nfs/dbraw/zinc/33/97/68/936339768.db2.gz IHLDVWUVYBUUOQ-QWHCGFSZSA-N 2 0 253.390 1.141 20 30 CDEDRP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001180259433 916230663 /nfs/dbraw/zinc/23/06/63/916230663.db2.gz GYCNWGULZYGSJP-OAHLLOKOSA-N 2 0 281.444 1.780 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107039230 917900736 /nfs/dbraw/zinc/90/07/36/917900736.db2.gz NTLFAOSHANUZRN-HUUCEWRRSA-N 2 0 281.444 1.587 20 30 CDEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001182480838 917928235 /nfs/dbraw/zinc/92/82/35/917928235.db2.gz XLINUVVFLJHMBU-RHSMWYFYSA-N 2 0 291.439 1.036 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001183091568 918282037 /nfs/dbraw/zinc/28/20/37/918282037.db2.gz IPHDEQDMUBTHEL-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001185548275 919649057 /nfs/dbraw/zinc/64/90/57/919649057.db2.gz KZTXWHHZEGDOCZ-JKSUJKDBSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001188139903 920855451 /nfs/dbraw/zinc/85/54/51/920855451.db2.gz UYKZHZJNWKAIGB-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190442756 921998238 /nfs/dbraw/zinc/99/82/38/921998238.db2.gz BAFBHRDEAISBLJ-GJZGRUSLSA-N 2 0 297.418 1.222 20 30 CDEDRP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099203818 936783058 /nfs/dbraw/zinc/78/30/58/936783058.db2.gz SIYJXLBOYBBLOX-CQSZACIVSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194419115 924213294 /nfs/dbraw/zinc/21/32/94/924213294.db2.gz FLZNSCJXLYONTI-MRXNPFEDSA-N 2 0 291.439 1.418 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001082943963 925036389 /nfs/dbraw/zinc/03/63/89/925036389.db2.gz UXQMFVBASAVHPB-BZUAXINKSA-N 2 0 291.439 1.177 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101400112 936970564 /nfs/dbraw/zinc/97/05/64/936970564.db2.gz HEUZATSOLFXZJC-WBVHZDCISA-N 2 0 293.455 1.685 20 30 CDEDRP C=CCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001198097562 925324064 /nfs/dbraw/zinc/32/40/64/925324064.db2.gz DDZDBAWKQSVTSC-HNNXBMFYSA-N 2 0 279.428 1.439 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084831646 925447965 /nfs/dbraw/zinc/44/79/65/925447965.db2.gz UHESDMKUFPRHCZ-RBSFLKMASA-N 2 0 277.412 1.047 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001152485242 925489369 /nfs/dbraw/zinc/48/93/69/925489369.db2.gz HMAHNWAETXUCHG-OAHLLOKOSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001152530822 925592250 /nfs/dbraw/zinc/59/22/50/925592250.db2.gz YDXWLVYMFRHXKX-MRXNPFEDSA-N 2 0 289.423 1.961 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001410453656 925712383 /nfs/dbraw/zinc/71/23/83/925712383.db2.gz OLCYSCQNEJKYOJ-GFCCVEGCSA-N 2 0 287.835 1.517 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047427 937039644 /nfs/dbraw/zinc/03/96/44/937039644.db2.gz GUASZZUQDNZXTR-BMFZPTHFSA-N 2 0 293.455 1.587 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001085432609 925953981 /nfs/dbraw/zinc/95/39/81/925953981.db2.gz HEKWLOPYZFAZGN-OAGGEKHMSA-N 2 0 291.439 1.511 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001201267386 926247635 /nfs/dbraw/zinc/24/76/35/926247635.db2.gz NKTYNIBVGPNYFR-HNNXBMFYSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799259 926411389 /nfs/dbraw/zinc/41/13/89/926411389.db2.gz NOVWDLWLDZJRAF-MRXNPFEDSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001086045577 926640382 /nfs/dbraw/zinc/64/03/82/926640382.db2.gz OOHMOHMTGUZXJX-FRRDWIJNSA-N 2 0 285.819 1.318 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001086277929 926932419 /nfs/dbraw/zinc/93/24/19/926932419.db2.gz AFZCQYCURAPEJU-XHSDSOJGSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086456268 927149206 /nfs/dbraw/zinc/14/92/06/927149206.db2.gz YLTWELISOZPCCN-JYJNAYRXSA-N 2 0 293.455 1.779 20 30 CDEDRP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001103445133 937142037 /nfs/dbraw/zinc/14/20/37/937142037.db2.gz ZKLYCCFZSMLRTE-KFWWJZLASA-N 2 0 279.428 1.034 20 30 CDEDRP C=CCC1([NH2+]C[C@H](O)C[NH+]2CCCC2)CCCC1 ZINC000690779163 937205778 /nfs/dbraw/zinc/20/57/78/937205778.db2.gz AEUMTFBMBVSKBB-AWEZNQCLSA-N 2 0 252.402 1.922 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111860870 937245506 /nfs/dbraw/zinc/24/55/06/937245506.db2.gz FGNPYHSJYNJNMQ-ZFWWWQNUSA-N 2 0 265.401 1.095 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001169959078 928552147 /nfs/dbraw/zinc/55/21/47/928552147.db2.gz SIFOQLWGZXORPU-UHFFFAOYSA-N 2 0 279.428 1.226 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001202496169 928615788 /nfs/dbraw/zinc/61/57/88/928615788.db2.gz POOVKJGKTQYMMU-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001086533736 929098079 /nfs/dbraw/zinc/09/80/79/929098079.db2.gz YAYOEJGWYXLRHA-YHUYYLMFSA-N 2 0 293.455 1.777 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CC ZINC001115080901 937324123 /nfs/dbraw/zinc/32/41/23/937324123.db2.gz HHTWKUOYKFUIDQ-AIANPOQGSA-N 2 0 293.455 1.729 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCCCCF)CC1 ZINC001152323696 937353547 /nfs/dbraw/zinc/35/35/47/937353547.db2.gz BHGOGMQCGVGFLZ-UHFFFAOYSA-N 2 0 297.418 1.177 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608249 929813556 /nfs/dbraw/zinc/81/35/56/929813556.db2.gz SSBICLTZABONAB-UONOGXRCSA-N 2 0 281.444 1.920 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134891905 929948928 /nfs/dbraw/zinc/94/89/28/929948928.db2.gz IFQCLGJQDOUISA-KGLIPLIRSA-N 2 0 298.390 1.844 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135468504 930215548 /nfs/dbraw/zinc/21/55/48/930215548.db2.gz QEXTWSIFTOTZTD-KBPBESRZSA-N 2 0 281.444 1.777 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001170818845 930243745 /nfs/dbraw/zinc/24/37/45/930243745.db2.gz HNTDRTALGQVZFC-QGZVFWFLSA-N 2 0 289.423 1.745 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135922950 930541740 /nfs/dbraw/zinc/54/17/40/930541740.db2.gz DQCFAXULQKCTAW-GJZGRUSLSA-N 2 0 299.459 1.404 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001170877323 930600189 /nfs/dbraw/zinc/60/01/89/930600189.db2.gz BDVKYQCHTJTWLV-HRCADAONSA-N 2 0 293.455 1.615 20 30 CDEDRP N#CCc1cc2ccccc2nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170897311 930694407 /nfs/dbraw/zinc/69/44/07/930694407.db2.gz MHCWAUMQRKZMHH-CQSZACIVSA-N 2 0 269.352 1.736 20 30 CDEDRP N#Cc1c(Br)ccnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170899463 930697358 /nfs/dbraw/zinc/69/73/58/930697358.db2.gz CRHRGCMLGWWGGH-SECBINFHSA-N 2 0 284.161 1.151 20 30 CDEDRP Cc1cc(N[C@@H]([NH3+])CCC[NH3+])cc([N+](=O)[O-])c1C#N ZINC001170902844 930708558 /nfs/dbraw/zinc/70/85/58/930708558.db2.gz FYIWGGWFEVJSHG-GFCCVEGCSA-N 2 0 263.301 1.211 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCC[NH+](C(C)C)C(C)C ZINC000104153852 931320886 /nfs/dbraw/zinc/32/08/86/931320886.db2.gz WTAFRTVKWHYKOL-LBPRGKRZSA-N 2 0 258.410 1.044 20 30 CDEDRP NC(=O)c1ccc(C(=[NH2+])Nc2cccc(C[NH3+])c2)cc1 ZINC001171256420 932155488 /nfs/dbraw/zinc/15/54/88/932155488.db2.gz NFTBQJPHWFHTNW-UHFFFAOYSA-N 2 0 268.320 1.281 20 30 CDEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)C[NH+](CC)CC)C2)C1 ZINC001148462507 932711575 /nfs/dbraw/zinc/71/15/75/932711575.db2.gz CPNOAJRTDYVXLO-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001148657526 932775161 /nfs/dbraw/zinc/77/51/61/932775161.db2.gz VXSOGVKWKOJRTD-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001091758833 932800979 /nfs/dbraw/zinc/80/09/79/932800979.db2.gz NFONGETWJSWLIL-VYDXJSESSA-N 2 0 293.455 1.539 20 30 CDEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298604 934528296 /nfs/dbraw/zinc/52/82/96/934528296.db2.gz GXKMFDXJNHIZJL-OAGGEKHMSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120130487 937782273 /nfs/dbraw/zinc/78/22/73/937782273.db2.gz ZYLSKNZXKTTXCF-HNNXBMFYSA-N 2 0 291.439 1.370 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001096350575 936048725 /nfs/dbraw/zinc/04/87/25/936048725.db2.gz PUFUVVHORIHQMH-FZKCQIBNSA-N 2 0 289.423 1.073 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001121990660 937897151 /nfs/dbraw/zinc/89/71/51/937897151.db2.gz QNZQTSIAMHGGKH-HUUCEWRRSA-N 2 0 299.459 1.641 20 30 CDEDRP N#Cc1ccc2ccnc(NC(=[NH2+])NCCCC[NH3+])c2c1 ZINC001157097525 938453983 /nfs/dbraw/zinc/45/39/83/938453983.db2.gz YUVFOFMOADPMHE-UHFFFAOYSA-N 2 0 282.351 1.782 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160274724 938778727 /nfs/dbraw/zinc/77/87/27/938778727.db2.gz WFBRWDXYSSAATK-HNNXBMFYSA-N 2 0 281.444 1.923 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160826472 938829923 /nfs/dbraw/zinc/82/99/23/938829923.db2.gz IGSYEWVYZMYBNC-UHFFFAOYSA-N 2 0 299.846 1.711 20 30 CDEDRP N#CCc1cc(NC[C@]2(F)CCCC[NH2+]C2)cc[nH+]1 ZINC001162586308 939094640 /nfs/dbraw/zinc/09/46/40/939094640.db2.gz FXUSKSHKOOCQSK-AWEZNQCLSA-N 2 0 262.332 1.463 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc(C)c(C#N)n1 ZINC001163126006 939206550 /nfs/dbraw/zinc/20/65/50/939206550.db2.gz MNRYYKQXVJWUMY-UHFFFAOYSA-N 2 0 274.372 1.540 20 30 CDEDRP C[Si](C)(C)C#C[NH2+]C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163280219 939239214 /nfs/dbraw/zinc/23/92/14/939239214.db2.gz SADJDHOBQLYGLZ-ZIAGYGMSSA-N 2 0 266.461 1.573 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001164536532 939491898 /nfs/dbraw/zinc/49/18/98/939491898.db2.gz ULHJSQAQUGSZHM-HNNXBMFYSA-N 2 0 297.443 1.158 20 30 CDEDRP C[NH+](C)C[C@@H]1CCCN1c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001165073066 939506818 /nfs/dbraw/zinc/50/68/18/939506818.db2.gz VGEZKQHQWDHBKY-AWEZNQCLSA-N 2 0 299.422 1.519 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203577491 939694296 /nfs/dbraw/zinc/69/42/96/939694296.db2.gz QKIWVSCYXVLMKP-KBPBESRZSA-N 2 0 279.428 1.531 20 30 CDEDRP N#CCOc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205101762 939822376 /nfs/dbraw/zinc/82/23/76/939822376.db2.gz KTYJHYSLGBGZAP-CQSZACIVSA-N 2 0 259.353 1.902 20 30 CDEDRP N#Cc1cccc2c(C[N@H+]3CCC[C@@](O)(C[NH3+])CC3)c[nH]c21 ZINC001205219289 939836868 /nfs/dbraw/zinc/83/68/68/939836868.db2.gz BUSVTFZIZDEQQB-KRWDZBQOSA-N 2 0 298.390 1.715 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001206889108 940107864 /nfs/dbraw/zinc/10/78/64/940107864.db2.gz AYJDGGWLSUEEDJ-UHFFFAOYSA-N 2 0 293.455 1.570 20 30 CDEDRP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001207758199 940240599 /nfs/dbraw/zinc/24/05/99/940240599.db2.gz WXGRXOVOMCNXKG-ZIAGYGMSSA-N 2 0 279.428 1.177 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209325353 940461029 /nfs/dbraw/zinc/46/10/29/940461029.db2.gz ZBDABPSPEGOTPR-HNNXBMFYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210782734 940712359 /nfs/dbraw/zinc/71/23/59/940712359.db2.gz ORJWNLBEGICRGR-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211309596 940746951 /nfs/dbraw/zinc/74/69/51/940746951.db2.gz FZJKEJRQAUNWQV-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214664055 940835049 /nfs/dbraw/zinc/83/50/49/940835049.db2.gz JLRAVYHDDBEKGY-KLHDSHLOSA-N 2 0 293.455 1.729 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001215298802 940870851 /nfs/dbraw/zinc/87/08/51/940870851.db2.gz IDAFMOQWUPTKGN-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001215474574 940888476 /nfs/dbraw/zinc/88/84/76/940888476.db2.gz ZIXTWPXATZSJOJ-BZUAXINKSA-N 2 0 295.471 1.975 20 30 CDEDRP CC[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000402195646 940890651 /nfs/dbraw/zinc/89/06/51/940890651.db2.gz BTQGRFACSWEVOF-KBMXLJTQSA-N 2 0 273.380 1.651 20 30 CDEDRP N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000402356190 940895243 /nfs/dbraw/zinc/89/52/43/940895243.db2.gz UFEQHDBVYHBPFR-HZPDHXFCSA-N 2 0 273.380 1.795 20 30 CDEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1cccc(C#N)n1 ZINC001218589624 941242936 /nfs/dbraw/zinc/24/29/36/941242936.db2.gz OTAVRMICQXVVPU-ZDUSSCGKSA-N 2 0 289.383 1.387 20 30 CDEDRP C[C@H](C#N)c1ccc(NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)cc1 ZINC001218871544 941282304 /nfs/dbraw/zinc/28/23/04/941282304.db2.gz OMLRRFBTIKZTKL-YGRLFVJLSA-N 2 0 283.335 1.545 20 30 CDEDRP N#Cc1ccc(F)c(F)c1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001219314697 941329290 /nfs/dbraw/zinc/32/92/90/941329290.db2.gz MCDLWYMVYYAMKE-LBPRGKRZSA-N 2 0 294.305 1.102 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)C1 ZINC001219538202 941353680 /nfs/dbraw/zinc/35/36/80/941353680.db2.gz WHXWJGNSCFHKMM-KHIZAZIESA-N 2 0 299.374 1.381 20 30 CDEDRP CC(C)C[C@@H](C#N)NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220700807 941465100 /nfs/dbraw/zinc/46/51/00/941465100.db2.gz OXJXPXGFSIIMLJ-STQMWFEESA-N 2 0 268.405 1.100 20 30 CDEDRP C#CC1(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCCCC1 ZINC001221276450 941508981 /nfs/dbraw/zinc/50/89/81/941508981.db2.gz YUAMGQZWCYESSD-AWEZNQCLSA-N 2 0 289.423 1.313 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](C)C ZINC001227056735 942122870 /nfs/dbraw/zinc/12/28/70/942122870.db2.gz KARFEOFRHUQJTM-RBSFLKMASA-N 2 0 279.428 1.367 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001228445004 942317471 /nfs/dbraw/zinc/31/74/71/942317471.db2.gz KNTLUKDLUOJBPJ-BZUAXINKSA-N 2 0 293.455 1.613 20 30 CDEDRP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001316615201 942628154 /nfs/dbraw/zinc/62/81/54/942628154.db2.gz CWSHJALLKFSLDR-ZNMIVQPWSA-N 2 0 297.418 1.174 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001277686741 943335987 /nfs/dbraw/zinc/33/59/87/943335987.db2.gz QUHAQJDWRBLOSJ-DZGCQCFKSA-N 2 0 281.444 1.824 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCCCO)CC1 ZINC001236434770 944495035 /nfs/dbraw/zinc/49/50/35/944495035.db2.gz WXRUEXBWXUXYMR-UHFFFAOYSA-N 2 0 281.444 1.051 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001258717241 945389610 /nfs/dbraw/zinc/38/96/10/945389610.db2.gz KVAHVHKPYRVVLU-AWEZNQCLSA-N 2 0 253.434 1.957 20 30 CDEDRP N#Cc1cc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)ccn1 ZINC001241189671 946188034 /nfs/dbraw/zinc/18/80/34/946188034.db2.gz YRCJCBOSKQAUHT-UHFFFAOYSA-N 2 0 265.320 1.425 20 30 CDEDRP CC[NH+](CC)CCN1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254652727 947572218 /nfs/dbraw/zinc/57/22/18/947572218.db2.gz HJGPHFOUJJLIMF-JKSUJKDBSA-N 2 0 278.444 1.638 20 30 CDEDRP [NH2+]=C(N[C@@H]1CC2CC[NH+](CC2)C1)c1ccc(F)cn1 ZINC001254838769 947617620 /nfs/dbraw/zinc/61/76/20/947617620.db2.gz HITNXPFTVXHYTQ-GFCCVEGCSA-N 2 0 262.332 1.410 20 30 CDEDRP C=CCCCCCC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246024543 947903186 /nfs/dbraw/zinc/90/31/86/947903186.db2.gz USCRKBYTJWOHIK-RRFJBIMHSA-N 2 0 270.417 1.125 20 30 CDEDRP COC(=O)c1ccc(C(=[NH2+])N[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001246304767 948095467 /nfs/dbraw/zinc/09/54/67/948095467.db2.gz LJBGOIFQZDWPJL-BTTYYORXSA-N 2 0 287.363 1.177 20 30 CDEDRP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246709143 948413205 /nfs/dbraw/zinc/41/32/05/948413205.db2.gz SCHNOWBLLBOIAI-QGZVFWFLSA-N 2 0 291.439 1.772 20 30 CDEDRP C=CCCC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001479911428 971483952 /nfs/dbraw/zinc/48/39/52/971483952.db2.gz FQLHCXVJUSULRS-HNNXBMFYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001252491744 951362755 /nfs/dbraw/zinc/36/27/55/951362755.db2.gz VCCZDYYUGHFCNW-HNNXBMFYSA-N 2 0 268.401 1.014 20 30 CDEDRP C=C[C@](C)(O)CN1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001252560414 951454696 /nfs/dbraw/zinc/45/46/96/951454696.db2.gz RLLOPRJDXYZZDD-HOTGVXAUSA-N 2 0 282.428 1.499 20 30 CDEDRP C=C[C@](C)(O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001252575376 951466798 /nfs/dbraw/zinc/46/67/98/951466798.db2.gz YSRLPACSGTXTFW-KRWDZBQOSA-N 2 0 289.423 1.465 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)CCC ZINC001367398155 957992557 /nfs/dbraw/zinc/99/25/57/957992557.db2.gz IOERQGZGRXPDSN-LBPRGKRZSA-N 2 0 275.824 1.517 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC001340128678 962763059 /nfs/dbraw/zinc/76/30/59/962763059.db2.gz NYLNGODOSOQHRE-JSGCOSHPSA-N 2 0 288.395 1.520 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001340669841 963062849 /nfs/dbraw/zinc/06/28/49/963062849.db2.gz AOUGHCPQHXCZPJ-CVEARBPZSA-N 2 0 293.455 1.908 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC001340805811 963132914 /nfs/dbraw/zinc/13/29/14/963132914.db2.gz AVYXULYSABPHOC-UONOGXRCSA-N 2 0 267.417 1.661 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC001341284710 963351271 /nfs/dbraw/zinc/35/12/71/963351271.db2.gz MMHHXQPOIWMMRH-CQSZACIVSA-N 2 0 267.417 1.613 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC001341632495 963490464 /nfs/dbraw/zinc/49/04/64/963490464.db2.gz VWMYFQQZZFXYTQ-QWHCGFSZSA-N 2 0 253.390 1.271 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001100382877 968180977 /nfs/dbraw/zinc/18/09/77/968180977.db2.gz AHAGRPVGCKRZFV-UYSNPLJNSA-N 2 0 291.439 1.369 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001200841600 969002253 /nfs/dbraw/zinc/00/22/53/969002253.db2.gz SJKZVCZQLJNDGF-OAHLLOKOSA-N 2 0 299.434 1.823 20 30 CDEDRP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001507154371 975356360 /nfs/dbraw/zinc/35/63/60/975356360.db2.gz VMTVRGPZWYERKX-UONOGXRCSA-N 2 0 267.417 1.032 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001391940822 977157535 /nfs/dbraw/zinc/15/75/35/977157535.db2.gz VUASKWQXJXSKHH-NWDGAFQWSA-N 2 0 287.835 1.423 20 30 CDEDRP C#CCN(C(=O)[C@@H]1CCC[N@@H+](C(C)C)C1)C1CC[NH2+]CC1 ZINC001574583652 1170994664 /nfs/dbraw/zinc/99/46/64/1170994664.db2.gz KLULJHDJTRWLDG-OAHLLOKOSA-N 2 0 291.439 1.321 20 30 CDEDRP CC[C@H](C#N)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000593444712 342798072 /nfs/dbraw/zinc/79/80/72/342798072.db2.gz YCGJWTZBAGCVNM-HUUCEWRRSA-N 2 0 294.443 1.411 20 30 CDEDRP C[N@@H+]1CCN(CC[NH2+][C@H]2CC[C@H](C#N)C2)CC1(C)C ZINC000442877699 362099912 /nfs/dbraw/zinc/09/99/12/362099912.db2.gz ROKYXLUTICKIQY-KBPBESRZSA-N 2 0 264.417 1.294 20 30 CDEDRP C=CC[NH+]1CCC(Nc2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000092896024 342420055 /nfs/dbraw/zinc/42/00/55/342420055.db2.gz AHLVLYQCWWWTAQ-UHFFFAOYSA-N 2 0 299.382 1.307 20 30 CDEDRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598596461 343840750 /nfs/dbraw/zinc/84/07/50/343840750.db2.gz RUWNOLLASFWXQT-HUUCEWRRSA-N 2 0 281.444 1.951 20 30 CDEDRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)CC[N@@H+]1C ZINC000598721917 343884103 /nfs/dbraw/zinc/88/41/03/343884103.db2.gz XVNQUOPFXVVJCU-UPJWGTAASA-N 2 0 253.390 1.359 20 30 CDEDRP C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C(C)(C)C[NH+](C)C ZINC000598722113 343884172 /nfs/dbraw/zinc/88/41/72/343884172.db2.gz ZDVSRLFLLHLDNJ-STQMWFEESA-N 2 0 269.433 1.853 20 30 CDEDRP CN(CCC[NH2+]Cc1ccc(C#N)cc1)CC[NH+](C)C ZINC000598918718 343926452 /nfs/dbraw/zinc/92/64/52/343926452.db2.gz WXMBPBUQZFUEHX-UHFFFAOYSA-N 2 0 274.412 1.531 20 30 CDEDRP N#Cc1ccc(CC[NH+]2CCC(N3CCOCC3)CC2)cc1 ZINC000599471947 344062069 /nfs/dbraw/zinc/06/20/69/344062069.db2.gz IIRJEKRSZQKGAH-UHFFFAOYSA-N 2 0 299.418 1.897 20 30 CDEDRP C[C@H](CCC#N)C[NH2+]C[C@@H]1CCCN1CCCO ZINC000602672752 344523149 /nfs/dbraw/zinc/52/31/49/344523149.db2.gz HQNYRFQCJPOQKN-KGLIPLIRSA-N 2 0 253.390 1.363 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH+](CC)CC)CC1 ZINC000068079943 349048030 /nfs/dbraw/zinc/04/80/30/349048030.db2.gz JTQQYBHNLYZBNA-CQSZACIVSA-N 2 0 279.428 1.178 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCCC[N@@H+]1CCc2ccccc2C1 ZINC000264079792 362960506 /nfs/dbraw/zinc/96/05/06/362960506.db2.gz GXRHUKMBBYZTJF-UHFFFAOYSA-N 2 0 286.423 1.915 20 30 CDEDRP C[NH+](C)CCOc1ccc(CCNC(=[NH2+])NC2CC2)cc1 ZINC000264255824 363011259 /nfs/dbraw/zinc/01/12/59/363011259.db2.gz IGUZQAOSFJQOPS-UHFFFAOYSA-N 2 0 290.411 1.236 20 30 CDEDRP CNC(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)=[NH+]C ZINC000065434206 363268630 /nfs/dbraw/zinc/26/86/30/363268630.db2.gz CYYUTJPYGPZCDA-HNNXBMFYSA-N 2 0 274.412 1.346 20 30 CDEDRP C=CCN1CC[C@H]([NH+]2CCC(C[NH+](C)C)CC2)C1=O ZINC000337141823 360005467 /nfs/dbraw/zinc/00/54/67/360005467.db2.gz SQQZEPHPGFYQEM-AWEZNQCLSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000178768893 189144784 /nfs/dbraw/zinc/14/47/84/189144784.db2.gz UQFWBBSGLJKXFO-INIZCTEOSA-N 2 0 287.407 1.496 20 30 CDEDRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000361430865 368817800 /nfs/dbraw/zinc/81/78/00/368817800.db2.gz BGNHZWOPGSLDAK-CABCVRRESA-N 2 0 279.428 1.894 20 30 CDEDRP CC[C@@H]([NH3+])C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423478443 374383011 /nfs/dbraw/zinc/38/30/11/374383011.db2.gz UPDJUXCFMOUMTG-CQSZACIVSA-N 2 0 272.396 1.854 20 30 CDEDRP N#Cc1ccc2c(c1)[C@@H](NC[C@@H](O)C[NH+]1CCCC1)CC2 ZINC000353406444 375475881 /nfs/dbraw/zinc/47/58/81/375475881.db2.gz WXACJTMEYSKPPL-WBVHZDCISA-N 2 0 285.391 1.592 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000294120786 378614690 /nfs/dbraw/zinc/61/46/90/378614690.db2.gz ZTEYPVBSWSMFPU-UHFFFAOYSA-N 2 0 270.336 1.019 20 30 CDEDRP CCC[N@@H+]1CC[C@@H](CNC(NCc2ccco2)=[NH+]C)C1 ZINC000103338311 390476247 /nfs/dbraw/zinc/47/62/47/390476247.db2.gz DXPWEEQQDKXWOH-ZDUSSCGKSA-N 2 0 278.400 1.677 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)c2ccc(C[NH3+])o2)CC1 ZINC000178769004 390908284 /nfs/dbraw/zinc/90/82/84/390908284.db2.gz UQZSTIQMIFHWRW-UHFFFAOYSA-N 2 0 263.341 1.119 20 30 CDEDRP C=CCOCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000339005832 391239789 /nfs/dbraw/zinc/23/97/89/391239789.db2.gz CLUUKNCEMFHWQP-OAHLLOKOSA-N 2 0 252.402 1.997 20 30 CDEDRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000355748285 391467978 /nfs/dbraw/zinc/46/79/78/391467978.db2.gz QXHIGEABFJMZSD-CQSZACIVSA-N 2 0 296.459 1.847 20 30 CDEDRP C=CC[C@]1(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000662887519 413658961 /nfs/dbraw/zinc/65/89/61/413658961.db2.gz ZFEBIAGOERFUGH-NVXWUHKLSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCC[C@H](CCC)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290733 414028414 /nfs/dbraw/zinc/02/84/14/414028414.db2.gz JCIHSXYAZNJFGO-NSHDSACASA-N 2 0 264.373 1.865 20 30 CDEDRP C=CCCn1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)nn1 ZINC000657450625 414337398 /nfs/dbraw/zinc/33/73/98/414337398.db2.gz XBSKSSLHZYNYLG-UHFFFAOYSA-N 2 0 289.427 1.818 20 30 CDEDRP C=CCCn1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)nn1 ZINC000657429272 414323254 /nfs/dbraw/zinc/32/32/54/414323254.db2.gz FLIVFNLSXBQUTR-UHFFFAOYSA-N 2 0 277.416 1.676 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+](C)C(C)C)CC1 ZINC000171731533 329079612 /nfs/dbraw/zinc/07/96/12/329079612.db2.gz QAZHSPNGRRTPRJ-UHFFFAOYSA-N 2 0 282.432 1.276 20 30 CDEDRP C#C[C@@H](NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)C(C)(C)C ZINC000262334093 330006581 /nfs/dbraw/zinc/00/65/81/330006581.db2.gz WIFOWCKEROHBDW-CHWSQXEVSA-N 2 0 264.417 1.423 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(C)CCCS1 ZINC000262352770 330007678 /nfs/dbraw/zinc/00/76/78/330007678.db2.gz FKFAQILKMHVKPZ-OCCSQVGLSA-N 2 0 284.473 1.661 20 30 CDEDRP C[NH+]=C(NCc1ccco1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262439346 330013009 /nfs/dbraw/zinc/01/30/09/330013009.db2.gz HHMDTJREPQSWDM-AWEZNQCLSA-N 2 0 290.411 1.915 20 30 CDEDRP CN(C)C(=[NH+]CC1([NH+]2CCCC2)CCOCC1)N(C)C ZINC000262553715 330021165 /nfs/dbraw/zinc/02/11/65/330021165.db2.gz ZYMBTGGILMBSJB-UHFFFAOYSA-N 2 0 282.432 1.111 20 30 CDEDRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N1CCSCC1 ZINC000262634389 330023764 /nfs/dbraw/zinc/02/37/64/330023764.db2.gz GJZYBTAIHJOZIW-LBPRGKRZSA-N 2 0 270.446 1.224 20 30 CDEDRP C#CCNC(NCC1([NH+](C)C)CCCCCC1)=[NH+]C ZINC000262636072 330023772 /nfs/dbraw/zinc/02/37/72/330023772.db2.gz NAEFGSAMMIDWCR-UHFFFAOYSA-N 2 0 264.417 1.439 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423096583 330169893 /nfs/dbraw/zinc/16/98/93/330169893.db2.gz PMIDPIKGNVJGON-TUVASFSCSA-N 2 0 252.402 1.945 20 30 CDEDRP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)c1ccsc1 ZINC000424135405 330270411 /nfs/dbraw/zinc/27/04/11/330270411.db2.gz PDYJMHJNEIPSKH-STQMWFEESA-N 2 0 294.424 1.488 20 30 CDEDRP CC(C)C[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+](C)C ZINC000424137055 330273291 /nfs/dbraw/zinc/27/32/91/330273291.db2.gz RNVVZXICGGDLPD-OLZOCXBDSA-N 2 0 268.405 1.100 20 30 CDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000424385945 330349464 /nfs/dbraw/zinc/34/94/64/330349464.db2.gz WZNZGXAFTHNHET-GVRJEKJASA-N 2 0 280.412 1.324 20 30 CDEDRP C#CC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000491264057 332176244 /nfs/dbraw/zinc/17/62/44/332176244.db2.gz DRXDNOKGZAIVQM-HNNXBMFYSA-N 2 0 294.443 1.066 20 30 CDEDRP C[C@H]1C[NH+]=C(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)N1 ZINC000261540827 334191611 /nfs/dbraw/zinc/19/16/11/334191611.db2.gz FIBXWUXVAANKRT-DZGCQCFKSA-N 2 0 272.396 1.446 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001755325029 1159835511 /nfs/dbraw/zinc/83/55/11/1159835511.db2.gz RXGBQCWCMRGTKI-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H](C)[NH3+])C(C)C ZINC000669385689 482763452 /nfs/dbraw/zinc/76/34/52/482763452.db2.gz FGVMLVPSLHQFMT-KGLIPLIRSA-N 2 0 282.432 1.331 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106597628 1161157869 /nfs/dbraw/zinc/15/78/69/1161157869.db2.gz FWQNJANQUXUERZ-ZIAGYGMSSA-N 2 0 267.417 1.198 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089559481 1161219649 /nfs/dbraw/zinc/21/96/49/1161219649.db2.gz PKXBPBXOFFMAGK-GJZGRUSLSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCCC1 ZINC001115706566 1161327934 /nfs/dbraw/zinc/32/79/34/1161327934.db2.gz DENLQNSUXOZNDZ-UHFFFAOYSA-N 2 0 293.455 1.923 20 30 CDEDRP CN(CCC#N)c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000770393461 575444409 /nfs/dbraw/zinc/44/44/09/575444409.db2.gz CZMVNCXVSNSVOT-HZPDHXFCSA-N 2 0 284.407 1.688 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC000763042340 576703124 /nfs/dbraw/zinc/70/31/24/576703124.db2.gz LECHLSJGYAMBHD-UHFFFAOYSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCC[N@H+]1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000982087260 613002656 /nfs/dbraw/zinc/00/26/56/613002656.db2.gz XQXSXVUBKVVZTM-UHFFFAOYSA-N 2 0 291.439 1.276 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000948244244 613008319 /nfs/dbraw/zinc/00/83/19/613008319.db2.gz GFQZDPXRDGIWNH-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947935521 613025687 /nfs/dbraw/zinc/02/56/87/613025687.db2.gz QSTSQUOEXGCJJI-GJZGRUSLSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000947496609 613223684 /nfs/dbraw/zinc/22/36/84/613223684.db2.gz CDUDGWGZUDBAGY-HUUCEWRRSA-N 2 0 289.423 1.217 20 30 CDEDRP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC000946642854 613305115 /nfs/dbraw/zinc/30/51/15/613305115.db2.gz RXRDZEXXZNMQEK-OWCLPIDISA-N 2 0 291.439 1.130 20 30 CDEDRP C=C(C)C[N@@H+]1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000981543822 613307836 /nfs/dbraw/zinc/30/78/36/613307836.db2.gz HPIARQAZCLRIFH-UHFFFAOYSA-N 2 0 291.439 1.725 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000970336146 613348189 /nfs/dbraw/zinc/34/81/89/613348189.db2.gz ZAWBXLQJWSPJCK-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000969560425 613384457 /nfs/dbraw/zinc/38/44/57/613384457.db2.gz QHUJNLYUZOFWKA-CYBMUJFWSA-N 2 0 299.846 1.804 20 30 CDEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000981841375 613488842 /nfs/dbraw/zinc/48/88/42/613488842.db2.gz AIBKNVGKBNENRC-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981196679 613494373 /nfs/dbraw/zinc/49/43/73/613494373.db2.gz QVSSVHDQKUBYSF-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974996216 613554151 /nfs/dbraw/zinc/55/41/51/613554151.db2.gz OSUNUISDFNZZTO-HNNXBMFYSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000972485552 613627340 /nfs/dbraw/zinc/62/73/40/613627340.db2.gz LXLWBMXWYFAJAO-HNNXBMFYSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967707663 613732174 /nfs/dbraw/zinc/73/21/74/613732174.db2.gz KSYVWXYSHLCBOY-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977473246 613806685 /nfs/dbraw/zinc/80/66/85/613806685.db2.gz WMUAQQYHPMKBOC-ZIAGYGMSSA-N 2 0 279.428 1.341 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)CC#N ZINC000849040418 617766376 /nfs/dbraw/zinc/76/63/76/617766376.db2.gz KGIBBCLVFSRBTH-LBPRGKRZSA-N 2 0 265.405 1.525 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000891921713 617776115 /nfs/dbraw/zinc/77/61/15/617776115.db2.gz SPYACLKDAGXQOF-CQSZACIVSA-N 2 0 294.443 1.019 20 30 CDEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926527788 618007595 /nfs/dbraw/zinc/00/75/95/618007595.db2.gz SVMMUUCMQQBTSG-BMRXWSCTSA-N 2 0 280.412 1.561 20 30 CDEDRP C#CC[N@@H+](C)CCCNc1cc(N[C@H](CC)CO)ncn1 ZINC000893988434 618238475 /nfs/dbraw/zinc/23/84/75/618238475.db2.gz BLUWBARJBSGIGU-CYBMUJFWSA-N 2 0 291.399 1.026 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000928650966 620360905 /nfs/dbraw/zinc/36/09/05/620360905.db2.gz IWVMIEFYAOPVRG-UHFFFAOYSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900597816 623274630 /nfs/dbraw/zinc/27/46/30/623274630.db2.gz AEARQTCZVTWJQP-JKSUJKDBSA-N 2 0 291.439 1.770 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130186504 1162565656 /nfs/dbraw/zinc/56/56/56/1162565656.db2.gz HQADVGKEMFZSMS-ZIAGYGMSSA-N 2 0 265.401 1.285 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130190248 1162566699 /nfs/dbraw/zinc/56/66/99/1162566699.db2.gz XYEHKJGZIBKUSP-CABCVRRESA-N 2 0 279.428 1.675 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132265385 1163219518 /nfs/dbraw/zinc/21/95/18/1163219518.db2.gz MFCCKMUSYFLUBV-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001133253529 1163619469 /nfs/dbraw/zinc/61/94/69/1163619469.db2.gz IXXHDPWEIKFGMS-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001133274891 1163622425 /nfs/dbraw/zinc/62/24/25/1163622425.db2.gz ODIVTFCLUOYXLT-JKSUJKDBSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858158 1164109081 /nfs/dbraw/zinc/10/90/81/1164109081.db2.gz OYUYTEZSUWBJLG-UONOGXRCSA-N 2 0 279.428 1.674 20 30 CDEDRP C[C@@H](CCC#N)[NH+]1CCC(c2nnc(C[NH3+])[nH]2)CC1 ZINC001573540163 1170685762 /nfs/dbraw/zinc/68/57/62/1170685762.db2.gz GBIZDNUOFNHABJ-JTQLQIEISA-N 2 0 262.361 1.135 20 30 CDEDRP COc1cc(C#N)ccc1OCC[NH2+][C@](C)(C[NH3+])C(C)C ZINC001579139178 1172104308 /nfs/dbraw/zinc/10/43/08/1172104308.db2.gz OKBYTWFPMSIZHS-MRXNPFEDSA-N 2 0 291.395 1.909 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001753323119 1183970510 /nfs/dbraw/zinc/97/05/10/1183970510.db2.gz LNEARZDYAHGBAH-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001753327757 1183977378 /nfs/dbraw/zinc/97/73/78/1183977378.db2.gz HUDRHJIIOUMELE-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[N@@H+](C)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001752122142 1184823279 /nfs/dbraw/zinc/82/32/79/1184823279.db2.gz RGRMOLDYCRJSJK-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)CC[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001753074262 1185041306 /nfs/dbraw/zinc/04/13/06/1185041306.db2.gz FLEHHXDVESKYPB-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CCC[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001753087682 1185051023 /nfs/dbraw/zinc/05/10/23/1185051023.db2.gz NJJRRPDUQFRLPW-GJZGRUSLSA-N 2 0 281.444 1.731 20 30 CDEDRP C#CCC[N@H+](CC)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001753091158 1185053239 /nfs/dbraw/zinc/05/32/39/1185053239.db2.gz KIYBJBPCEVPFIB-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001753105453 1185063344 /nfs/dbraw/zinc/06/33/44/1185063344.db2.gz CWRIFZCQGUHXBE-ZIAGYGMSSA-N 2 0 285.407 1.433 20 30 CDEDRP C=C(C)C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001753295410 1185146510 /nfs/dbraw/zinc/14/65/10/1185146510.db2.gz QREKPFFJRXPCOU-HNNXBMFYSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001753339509 1185161773 /nfs/dbraw/zinc/16/17/73/1185161773.db2.gz PKFPBDXPLZCQCH-OAHLLOKOSA-N 2 0 279.428 1.487 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001753458000 1185218675 /nfs/dbraw/zinc/21/86/75/1185218675.db2.gz AFYQZEOLHSZPNA-AWEZNQCLSA-N 2 0 267.417 1.437 20 30 CDEDRP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001753497932 1185237861 /nfs/dbraw/zinc/23/78/61/1185237861.db2.gz RMPQUMMYHCAFCA-CABCVRRESA-N 2 0 281.444 1.921 20 30 CDEDRP C=CC[NH2+]C[C@@](C)(NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001753524001 1185247966 /nfs/dbraw/zinc/24/79/66/1185247966.db2.gz VBOCKYLHQRJRPZ-MRXNPFEDSA-N 2 0 279.428 1.389 20 30 CDEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001753675022 1185294673 /nfs/dbraw/zinc/29/46/73/1185294673.db2.gz ODAFIPOLANKIGH-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001754656936 1185694012 /nfs/dbraw/zinc/69/40/12/1185694012.db2.gz XKIKKIKIWQNWPB-CVEARBPZSA-N 2 0 291.439 1.226 20 30 CDEDRP CC#CC[NH2+]CC1CC(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001755218829 1185860933 /nfs/dbraw/zinc/86/09/33/1185860933.db2.gz RQIHMTAOQKSUMJ-GPANFISMSA-N 2 0 293.455 1.615 20 30 CDEDRP C#CC[NH+](C)[C@@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001755316129 1185913063 /nfs/dbraw/zinc/91/30/63/1185913063.db2.gz DPUKHXWMIUUZGE-BBRMVZONSA-N 2 0 297.418 1.269 20 30 CDEDRP CC[N@H+](CCNC(=[NH2+])N1CCC[C@@H](C)C1)C(C)C ZINC000303980280 777812967 /nfs/dbraw/zinc/81/29/67/777812967.db2.gz OBLICWPWNIVUSH-CYBMUJFWSA-N 2 0 254.422 1.763 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052870935 773798782 /nfs/dbraw/zinc/79/87/82/773798782.db2.gz ZMJGWGVTISRMMI-HNNXBMFYSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001150700 773877817 /nfs/dbraw/zinc/87/78/17/773877817.db2.gz JAFLUDFYFLHIBO-GDBMZVCRSA-N 2 0 291.439 1.509 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001019230009 773956604 /nfs/dbraw/zinc/95/66/04/773956604.db2.gz LMHVFLHTQKWLAU-AWEZNQCLSA-N 2 0 279.428 1.627 20 30 CDEDRP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000923361167 774102626 /nfs/dbraw/zinc/10/26/26/774102626.db2.gz DSYXWZBQWXZHCB-KZNAEPCWSA-N 2 0 299.418 1.913 20 30 CDEDRP C#CC[N@@H+](C)CCCNCc1ncc(CN(C)C)s1 ZINC000883131342 774260619 /nfs/dbraw/zinc/26/06/19/774260619.db2.gz WXNCCUDGAGGWKD-UHFFFAOYSA-N 2 0 280.441 1.249 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001028537498 774267643 /nfs/dbraw/zinc/26/76/43/774267643.db2.gz MLQYIFOWRCDHLC-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001008974518 774332278 /nfs/dbraw/zinc/33/22/78/774332278.db2.gz MJKZOXUTYNBVQY-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001035710467 774343475 /nfs/dbraw/zinc/34/34/75/774343475.db2.gz LNOFJRMTZVLCEE-HUUCEWRRSA-N 2 0 291.439 1.437 20 30 CDEDRP C[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@H]1C)NC1CC1 ZINC000848987223 774380699 /nfs/dbraw/zinc/38/06/99/774380699.db2.gz NGGTYESQIFYZBD-NEPJUHHUSA-N 2 0 252.406 1.577 20 30 CDEDRP C[C@](C[NH3+])([NH2+]C[C@@H](O)COc1ccccc1C#N)C1CC1 ZINC000923296422 774518684 /nfs/dbraw/zinc/51/86/84/774518684.db2.gz RQGJPVLXTDLKND-GDBMZVCRSA-N 2 0 289.379 1.015 20 30 CDEDRP C=CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046377067 774525924 /nfs/dbraw/zinc/52/59/24/774525924.db2.gz ZVAHQGPTXGUHTF-WBVHZDCISA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001027664383 774535386 /nfs/dbraw/zinc/53/53/86/774535386.db2.gz TUHGFIJZWRLVJR-AWEZNQCLSA-N 2 0 290.411 1.760 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023130196 774720003 /nfs/dbraw/zinc/72/00/03/774720003.db2.gz DNAVUJQZWJDGSO-GASCZTMLSA-N 2 0 285.391 1.232 20 30 CDEDRP CCCCCCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000303898990 774811226 /nfs/dbraw/zinc/81/12/26/774811226.db2.gz VVWNRXJYVMNQOQ-OAHLLOKOSA-N 2 0 297.491 1.355 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001023130529 774826943 /nfs/dbraw/zinc/82/69/43/774826943.db2.gz SNLZLTYXIYXEMI-HZSPNIEDSA-N 2 0 265.401 1.284 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001000426840 774828620 /nfs/dbraw/zinc/82/86/20/774828620.db2.gz LDRSLUWDQZKWGH-UONOGXRCSA-N 2 0 290.411 1.745 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071996275 774852550 /nfs/dbraw/zinc/85/25/50/774852550.db2.gz QCRRNXGXVNUYRV-KBPBESRZSA-N 2 0 277.412 1.237 20 30 CDEDRP C#CCN(C[C@H](O)C[N@@H+](C)C(C)C)C1CCCCC1 ZINC000851738943 774854627 /nfs/dbraw/zinc/85/46/27/774854627.db2.gz YFMUZOSJTUKEFV-MRXNPFEDSA-N 2 0 266.429 1.955 20 30 CDEDRP CCOCCCNC(=[NH2+])NCCC[NH+]1CCC(C)CC1 ZINC000303773152 774866554 /nfs/dbraw/zinc/86/65/54/774866554.db2.gz FCSCQOQAHRCVSV-UHFFFAOYSA-N 2 0 284.448 1.439 20 30 CDEDRP C=CCCN(C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790388261 774869751 /nfs/dbraw/zinc/86/97/51/774869751.db2.gz OMRDKCKQNSMDHD-OAHLLOKOSA-N 2 0 279.384 1.368 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001022973680 774870098 /nfs/dbraw/zinc/87/00/98/774870098.db2.gz UKYCTWAXOXHRAL-MCIONIFRSA-N 2 0 265.401 1.141 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855160299 774873146 /nfs/dbraw/zinc/87/31/46/774873146.db2.gz RVXLCIMJSJPJFM-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001039428314 774924802 /nfs/dbraw/zinc/92/48/02/774924802.db2.gz GXRILHLPCQSRKF-CVEARBPZSA-N 2 0 289.423 1.027 20 30 CDEDRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(OCC#N)cc1 ZINC000873256363 774959069 /nfs/dbraw/zinc/95/90/69/774959069.db2.gz OARCDCKKFDJPNN-YRGRVCCFSA-N 2 0 259.353 1.977 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000999364880 775084050 /nfs/dbraw/zinc/08/40/50/775084050.db2.gz NYGIVMRINJLYND-ZDUSSCGKSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001018961425 775098951 /nfs/dbraw/zinc/09/89/51/775098951.db2.gz DFTGQUZMLHJMPA-CVEARBPZSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC1([NH2+]CC[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC000887123383 775311363 /nfs/dbraw/zinc/31/13/63/775311363.db2.gz MXCKQYVDNURUJV-AWEZNQCLSA-N 2 0 250.386 1.633 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028656512 775342272 /nfs/dbraw/zinc/34/22/72/775342272.db2.gz KASHRBRTXIQIGC-HNNXBMFYSA-N 2 0 291.439 1.629 20 30 CDEDRP C#CC[N@@H+](C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000985803380 775390319 /nfs/dbraw/zinc/39/03/19/775390319.db2.gz FKUOROSAXYWSCM-HUUCEWRRSA-N 2 0 291.439 1.415 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000989524882 775433110 /nfs/dbraw/zinc/43/31/10/775433110.db2.gz ZMFMBYUPFZOZDQ-HIFRSBDPSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001020585453 775471620 /nfs/dbraw/zinc/47/16/20/775471620.db2.gz ZDPJYJIUJUELPH-AVGNSLFASA-N 2 0 285.819 1.460 20 30 CDEDRP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033353190 775475174 /nfs/dbraw/zinc/47/51/74/775475174.db2.gz DWNHORVFCPQJHZ-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001052253047 775813933 /nfs/dbraw/zinc/81/39/33/775813933.db2.gz YVYYAYRRBBHXIF-KBPBESRZSA-N 2 0 299.846 1.804 20 30 CDEDRP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873294534 775917401 /nfs/dbraw/zinc/91/74/01/775917401.db2.gz WGFZWGDFNMOCSA-KFWWJZLASA-N 2 0 277.412 1.817 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001020509266 775962310 /nfs/dbraw/zinc/96/23/10/775962310.db2.gz PZQFPIMEDCMMOQ-AJNGGQMLSA-N 2 0 279.428 1.530 20 30 CDEDRP C[C@@H]1C[NH+]=C(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)N1 ZINC000261579316 776055257 /nfs/dbraw/zinc/05/52/57/776055257.db2.gz PKYMDMFFRPRKNI-YRGRVCCFSA-N 2 0 252.406 1.434 20 30 CDEDRP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001046839714 776095652 /nfs/dbraw/zinc/09/56/52/776095652.db2.gz SHTLGRZHXNEWNS-HIFRSBDPSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001019404627 776107198 /nfs/dbraw/zinc/10/71/98/776107198.db2.gz XVUWGODJKZLPNS-BFHYXJOUSA-N 2 0 288.395 1.290 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001027434023 776184280 /nfs/dbraw/zinc/18/42/80/776184280.db2.gz IGIUKLYPNSGYNG-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009518725 776206742 /nfs/dbraw/zinc/20/67/42/776206742.db2.gz SUEKFAWLQHTFLC-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000989634491 776218902 /nfs/dbraw/zinc/21/89/02/776218902.db2.gz DWFMVLKYBJSUFX-HOCLYGCPSA-N 2 0 291.439 1.319 20 30 CDEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001005184268 776368388 /nfs/dbraw/zinc/36/83/88/776368388.db2.gz LLGSPOIZVIWPJQ-HNNXBMFYSA-N 2 0 277.412 1.027 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000995921747 776425281 /nfs/dbraw/zinc/42/52/81/776425281.db2.gz BLZDKAFUDXZHNR-KGLIPLIRSA-N 2 0 281.444 1.585 20 30 CDEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001041693228 776746963 /nfs/dbraw/zinc/74/69/63/776746963.db2.gz RFAUXGSADJBLJL-GOEBONIOSA-N 2 0 279.428 1.437 20 30 CDEDRP C[NH+](C)CC1(O)CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000931481070 776817913 /nfs/dbraw/zinc/81/79/13/776817913.db2.gz CIIUBEIGMWGBJA-CHWSQXEVSA-N 2 0 251.374 1.067 20 30 CDEDRP C=CC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034454454 776820043 /nfs/dbraw/zinc/82/00/43/776820043.db2.gz LITXOVNTULUYQJ-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000303874500 776856441 /nfs/dbraw/zinc/85/64/41/776856441.db2.gz HFTUINDCVQAGBS-GOEBONIOSA-N 2 0 298.475 1.828 20 30 CDEDRP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001027575704 776876662 /nfs/dbraw/zinc/87/66/62/776876662.db2.gz CJRZUGATQXBHJJ-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001020589112 776889986 /nfs/dbraw/zinc/88/99/86/776889986.db2.gz XFCUIVRNUJQSFF-MGPQQGTHSA-N 2 0 265.401 1.141 20 30 CDEDRP COCCNC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000161542739 776919411 /nfs/dbraw/zinc/91/94/11/776919411.db2.gz IHVCWYLMLWTDML-LBPRGKRZSA-N 2 0 270.421 1.048 20 30 CDEDRP C#CCN1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033079021 776957584 /nfs/dbraw/zinc/95/75/84/776957584.db2.gz ZBUNHDIICSRECC-OAHLLOKOSA-N 2 0 291.439 1.417 20 30 CDEDRP C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)C1=CC[N@H+](C)CC1 ZINC000819219970 776967994 /nfs/dbraw/zinc/96/79/94/776967994.db2.gz JHJMPIBWMPVFAA-DYVFJYSZSA-N 2 0 285.391 1.832 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001041833778 777165953 /nfs/dbraw/zinc/16/59/53/777165953.db2.gz UBYANYFQKFWLAH-QGZVFWFLSA-N 2 0 289.423 1.030 20 30 CDEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001034659407 777192867 /nfs/dbraw/zinc/19/28/67/777192867.db2.gz SMRNGQCRZOHRCJ-JYJNAYRXSA-N 2 0 291.439 1.511 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001075810415 777213302 /nfs/dbraw/zinc/21/33/02/777213302.db2.gz CDKUHBUJBXFVHO-LXTVHRRPSA-N 2 0 277.412 1.045 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001003242787 777297075 /nfs/dbraw/zinc/29/70/75/777297075.db2.gz KESLZGDKTYOXIM-UHFFFAOYSA-N 2 0 289.423 1.219 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001034612039 777395344 /nfs/dbraw/zinc/39/53/44/777395344.db2.gz OXXKPQBOCKPXRN-MGPQQGTHSA-N 2 0 299.846 1.850 20 30 CDEDRP C#CC[N@@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000985711932 777490933 /nfs/dbraw/zinc/49/09/33/777490933.db2.gz AMMBSNCKGRCTNF-UHFFFAOYSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C ZINC001049557619 777497955 /nfs/dbraw/zinc/49/79/55/777497955.db2.gz JNSOVNFQDHSQHW-ARFHVFGLSA-N 2 0 291.439 1.722 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001052869436 777542691 /nfs/dbraw/zinc/54/26/91/777542691.db2.gz DONUAEPCMYVYFO-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP CC[NH+](CC)CCCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000303695293 777587978 /nfs/dbraw/zinc/58/79/78/777587978.db2.gz DLVFGPXHEPLRAC-CYBMUJFWSA-N 2 0 254.422 1.765 20 30 CDEDRP CC#CCN1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001031729863 777799927 /nfs/dbraw/zinc/79/99/27/777799927.db2.gz VHLRNRJBWYTMHK-MRXNPFEDSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059880 777801343 /nfs/dbraw/zinc/80/13/43/777801343.db2.gz JGQQFPVONXUWLE-CAOSSQGBSA-N 2 0 291.439 1.150 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000989524884 777801773 /nfs/dbraw/zinc/80/17/73/777801773.db2.gz ZMFMBYUPFZOZDQ-ZFWWWQNUSA-N 2 0 279.428 1.483 20 30 CDEDRP N#Cc1ccc(N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000872146284 777880327 /nfs/dbraw/zinc/88/03/27/777880327.db2.gz JWVIBZBQWNCDJQ-HNNXBMFYSA-N 2 0 299.422 1.465 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000261989453 777896140 /nfs/dbraw/zinc/89/61/40/777896140.db2.gz LGLMJPDUUYGPGV-CHWSQXEVSA-N 2 0 252.406 1.587 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=[NH2+])NCc1ccc(C)cc1 ZINC000849032433 778028793 /nfs/dbraw/zinc/02/87/93/778028793.db2.gz HPZDMVTXEUBVMS-UHFFFAOYSA-N 2 0 272.396 1.564 20 30 CDEDRP C#CC[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@@H](CC#C)C2)C1 ZINC000886362938 778052142 /nfs/dbraw/zinc/05/21/42/778052142.db2.gz TVWWCXIFHZIFAF-QZTJIDSGSA-N 2 0 288.435 1.693 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000813519953 778251495 /nfs/dbraw/zinc/25/14/95/778251495.db2.gz CFLIWAOLQAOEDC-ZBFHGGJFSA-N 2 0 289.423 1.912 20 30 CDEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)CN3CCCC3)CCC[C@H]12 ZINC000992484972 778428699 /nfs/dbraw/zinc/42/86/99/778428699.db2.gz IGBZQTWVORGDSB-DOTOQJQBSA-N 2 0 289.423 1.219 20 30 CDEDRP C[N@H+](C[C@@H](O)CC1(C#N)CCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000886203169 778496821 /nfs/dbraw/zinc/49/68/21/778496821.db2.gz OJIZQMDGTAIGQW-QXULXFAOSA-N 2 0 291.439 1.988 20 30 CDEDRP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001045389233 778541788 /nfs/dbraw/zinc/54/17/88/778541788.db2.gz HMZVNFULZRFJII-CQSZACIVSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)CC1 ZINC001050664339 778588652 /nfs/dbraw/zinc/58/86/52/778588652.db2.gz MKNFUCSMLKLXGH-HUUCEWRRSA-N 2 0 291.439 1.295 20 30 CDEDRP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034129492 778631853 /nfs/dbraw/zinc/63/18/53/778631853.db2.gz BUEWOTFMRMHNMJ-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C[NH+]=C(NCCC[NH2+]C(C)(C)C)NCc1ccco1 ZINC000848994005 778822444 /nfs/dbraw/zinc/82/24/44/778822444.db2.gz FFJUCDWGOJHNPL-UHFFFAOYSA-N 2 0 266.389 1.723 20 30 CDEDRP CC(C)CCNC(=[NH2+])NCCC1CC[NH+](C)CC1 ZINC000303895152 778996537 /nfs/dbraw/zinc/99/65/37/778996537.db2.gz SZTLMFHZPHJQLR-UHFFFAOYSA-N 2 0 254.422 1.669 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001027441129 779023247 /nfs/dbraw/zinc/02/32/47/779023247.db2.gz RWRGYQCZSKMMRL-CQSZACIVSA-N 2 0 279.428 1.580 20 30 CDEDRP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034214162 779331335 /nfs/dbraw/zinc/33/13/35/779331335.db2.gz HUVPCCKFNPOUSE-BZUAXINKSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001034738659 779376232 /nfs/dbraw/zinc/37/62/32/779376232.db2.gz VINYUQQAKDWVCS-VGWMRTNUSA-N 2 0 293.455 1.777 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ncc[nH]3)[C@@H]2C1 ZINC001075744369 779645746 /nfs/dbraw/zinc/64/57/46/779645746.db2.gz MIWKECNLTGEBHC-UONOGXRCSA-N 2 0 288.395 1.451 20 30 CDEDRP C=CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001000687585 779655474 /nfs/dbraw/zinc/65/54/74/779655474.db2.gz SSUDURSYZGHCHG-MRXNPFEDSA-N 2 0 289.423 1.263 20 30 CDEDRP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041645245 779661080 /nfs/dbraw/zinc/66/10/80/779661080.db2.gz KVQOHZUSEVIFIP-NVXWUHKLSA-N 2 0 291.439 1.130 20 30 CDEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000985787756 779844212 /nfs/dbraw/zinc/84/42/12/779844212.db2.gz PVOBGQYNBYFWJU-CYBMUJFWSA-N 2 0 299.846 1.613 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001041833016 779845882 /nfs/dbraw/zinc/84/58/82/779845882.db2.gz KISMUICCISUMRQ-QGZVFWFLSA-N 2 0 291.439 1.583 20 30 CDEDRP C=CCNC(=[NH2+])NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000066245713 779847443 /nfs/dbraw/zinc/84/74/43/779847443.db2.gz DSRRCAGCGINYAH-GXTWGEPZSA-N 2 0 252.406 1.587 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034792905 779897324 /nfs/dbraw/zinc/89/73/24/779897324.db2.gz OLSQXOHJVRAPRG-IHRRRGAJSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001039460028 779951637 /nfs/dbraw/zinc/95/16/37/779951637.db2.gz VPIOBSPTIWXDPC-OAGGEKHMSA-N 2 0 291.439 1.580 20 30 CDEDRP CCNC(NCCC1CC[NH+](CC)CC1)=[NH+]CC ZINC000304301514 779969183 /nfs/dbraw/zinc/96/91/83/779969183.db2.gz LQKXHTHMQHAZAP-UHFFFAOYSA-N 2 0 254.422 1.683 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023569887 780075404 /nfs/dbraw/zinc/07/54/04/780075404.db2.gz VSTKZBLJVWUEQN-OAHLLOKOSA-N 2 0 293.455 1.733 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303902104 780121830 /nfs/dbraw/zinc/12/18/30/780121830.db2.gz SYQQIYZGEHGQPR-QLFBSQMISA-N 2 0 298.475 1.684 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014705371 780153971 /nfs/dbraw/zinc/15/39/71/780153971.db2.gz PAORXBWPZXQGRY-JKSUJKDBSA-N 2 0 293.455 1.731 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])NC1CCC(CC#N)CC1 ZINC001173333132 912431627 /nfs/dbraw/zinc/43/16/27/912431627.db2.gz YZHYBBPADZXMSJ-UHFFFAOYSA-N 2 0 279.432 1.915 20 30 CDEDRP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150469270 913450960 /nfs/dbraw/zinc/45/09/60/913450960.db2.gz DQMBKBGLUOEUJR-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CCCCCC[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176110553 913961834 /nfs/dbraw/zinc/96/18/34/913961834.db2.gz WVFZHTNSMNBFQX-UHFFFAOYSA-N 2 0 281.444 1.925 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001104294453 895442760 /nfs/dbraw/zinc/44/27/60/895442760.db2.gz QJOCUSYHTSKYNH-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176278766 914012368 /nfs/dbraw/zinc/01/23/68/914012368.db2.gz IYTZSBAPBIAAIX-CQSZACIVSA-N 2 0 267.417 1.226 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621603 914074285 /nfs/dbraw/zinc/07/42/85/914074285.db2.gz UPMJBYQQTPWATO-GDBMZVCRSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001106905149 915235610 /nfs/dbraw/zinc/23/56/10/915235610.db2.gz CHVLEXJJZROMOZ-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001104936059 899684476 /nfs/dbraw/zinc/68/44/76/899684476.db2.gz ARIAPMWFTIDGST-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP COc1c(NC(=[NH2+])NCCCC[NH3+])ccc(F)c1C#N ZINC001167884138 901643359 /nfs/dbraw/zinc/64/33/59/901643359.db2.gz RMOGZCYJPVAHDJ-UHFFFAOYSA-N 2 0 279.319 1.381 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001269812441 904129219 /nfs/dbraw/zinc/12/92/19/904129219.db2.gz GJNRBQVXNSRQRD-HOCLYGCPSA-N 2 0 293.455 1.968 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087796964 905852603 /nfs/dbraw/zinc/85/26/03/905852603.db2.gz SIMVSAIGGKZCGL-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001088327275 906904192 /nfs/dbraw/zinc/90/41/92/906904192.db2.gz JKITWJSGAMTTRO-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001088425533 907149028 /nfs/dbraw/zinc/14/90/28/907149028.db2.gz XWPPOTLPYCWVTD-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001088688677 908772889 /nfs/dbraw/zinc/77/28/89/908772889.db2.gz XYUUDZXDKYQFKW-CJNGLKHVSA-N 2 0 296.374 1.469 20 30 CDEDRP [NH2+]=C(NC1CC[NH+](CC2CC2)CC1)c1ccc(F)cn1 ZINC001168358263 909267457 /nfs/dbraw/zinc/26/74/57/909267457.db2.gz OQTGMCROFCEQOU-UHFFFAOYSA-N 2 0 276.359 1.800 20 30 CDEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCSCC[NH3+] ZINC001172300563 911543855 /nfs/dbraw/zinc/54/38/55/911543855.db2.gz WVFZETDZXBKEDG-LBPRGKRZSA-N 2 0 263.410 1.771 20 30 CDEDRP C[C@@H](CCCC#N)N(CCC[NH3+])CCC[NH+](C)C ZINC001172486704 911691035 /nfs/dbraw/zinc/69/10/35/911691035.db2.gz DDALDIPAVLPXGN-AWEZNQCLSA-N 2 0 254.422 1.671 20 30 CDEDRP C[C@@H](CCCC#N)[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001172499949 911732997 /nfs/dbraw/zinc/73/29/97/911732997.db2.gz HITPPLYQXNLFEH-HNNXBMFYSA-N 2 0 266.433 1.638 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178359321 915393819 /nfs/dbraw/zinc/39/38/19/915393819.db2.gz GAGGNGYMXHKFQR-MELADBBJSA-N 2 0 265.401 1.236 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001178760008 915615600 /nfs/dbraw/zinc/61/56/00/915615600.db2.gz VLMIZQJPNAAJNK-HNNXBMFYSA-N 2 0 281.444 1.472 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001179430797 915831899 /nfs/dbraw/zinc/83/18/99/915831899.db2.gz FNQGFANIFYWENQ-KBPBESRZSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179486707 915852113 /nfs/dbraw/zinc/85/21/13/915852113.db2.gz QBZGCWPNHLLAGX-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001179586413 915889041 /nfs/dbraw/zinc/88/90/41/915889041.db2.gz OCZPMAMQUZTQDS-JKSUJKDBSA-N 2 0 293.455 1.474 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[NH+](CC)CC)[C@H]1C ZINC001179762916 915978406 /nfs/dbraw/zinc/97/84/06/915978406.db2.gz BCRBVTFYQIJUKJ-STQMWFEESA-N 2 0 287.835 1.660 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)CCC[NH+]1CCCC1 ZINC001180356888 916275458 /nfs/dbraw/zinc/27/54/58/916275458.db2.gz JYOZXCLNGKNFIN-UHFFFAOYSA-N 2 0 293.455 1.762 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001183576409 918547582 /nfs/dbraw/zinc/54/75/82/918547582.db2.gz KYLXWVOLWSIOSG-OAHLLOKOSA-N 2 0 289.423 1.076 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203577023 918691874 /nfs/dbraw/zinc/69/18/74/918691874.db2.gz MPPAIDWFYKMKJL-LSDHHAIUSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001183867344 918745980 /nfs/dbraw/zinc/74/59/80/918745980.db2.gz AYEOTISHIOQYTI-CVEARBPZSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001185062103 919385903 /nfs/dbraw/zinc/38/59/03/919385903.db2.gz RFSHUTXPJCGQOK-GOEBONIOSA-N 2 0 293.455 1.588 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185084111 919417372 /nfs/dbraw/zinc/41/73/72/919417372.db2.gz JKOCDHBUPFCVGB-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001185446674 919591006 /nfs/dbraw/zinc/59/10/06/919591006.db2.gz NNFLZAGGODUIRA-HOTGVXAUSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185408365 919603053 /nfs/dbraw/zinc/60/30/53/919603053.db2.gz QGRDIEGTEHHKOS-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001185501831 919633003 /nfs/dbraw/zinc/63/30/03/919633003.db2.gz IZVHCKKEQRRYLY-CABCVRRESA-N 2 0 291.439 1.342 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001185676431 919720888 /nfs/dbraw/zinc/72/08/88/919720888.db2.gz WZYIERYDNTVJNS-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001185731050 919733733 /nfs/dbraw/zinc/73/37/33/919733733.db2.gz KXZDBOPHCDBBKB-CQSZACIVSA-N 2 0 281.444 1.731 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001185751748 919754163 /nfs/dbraw/zinc/75/41/63/919754163.db2.gz QFRPBNPMOCXGTC-JKSUJKDBSA-N 2 0 293.455 1.424 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001186459512 920042855 /nfs/dbraw/zinc/04/28/55/920042855.db2.gz WXMHXNNFKRGNGX-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001073429674 936725130 /nfs/dbraw/zinc/72/51/30/936725130.db2.gz NJRVDNMEPWSGGF-UHFFFAOYSA-N 2 0 277.412 1.193 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC001168755237 922666260 /nfs/dbraw/zinc/66/62/60/922666260.db2.gz JLYGGLKLNWBVGK-AWEZNQCLSA-N 2 0 269.433 1.779 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001099118899 936780187 /nfs/dbraw/zinc/78/01/87/936780187.db2.gz FLATVKYMPNKTSJ-ZOBUZTSGSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001193601075 923831735 /nfs/dbraw/zinc/83/17/35/923831735.db2.gz RQCBOYIBZASIIS-AWEZNQCLSA-N 2 0 267.417 1.437 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194037607 924027218 /nfs/dbraw/zinc/02/72/18/924027218.db2.gz GZYQQKMEJYQHCZ-HNNXBMFYSA-N 2 0 279.428 1.581 20 30 CDEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194283492 924159192 /nfs/dbraw/zinc/15/91/92/924159192.db2.gz CFPWTAWHLAMLDD-AWEZNQCLSA-N 2 0 267.417 1.435 20 30 CDEDRP C=CCCC[N@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001196163071 924829875 /nfs/dbraw/zinc/82/98/75/924829875.db2.gz HNKKYYNKLJTNHY-INIZCTEOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101344913 936969939 /nfs/dbraw/zinc/96/99/39/936969939.db2.gz KQWMNKJUHAVYIK-WBVHZDCISA-N 2 0 293.455 1.685 20 30 CDEDRP C=CCCC[N@@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001197824627 925249065 /nfs/dbraw/zinc/24/90/65/925249065.db2.gz QURXENPPDYHCJY-UHFFFAOYSA-N 2 0 291.439 1.583 20 30 CDEDRP C#CCOC[C@@H](O)C[NH2+]C1CC[NH+](CC(C)(C)C)CC1 ZINC001251896680 925815892 /nfs/dbraw/zinc/81/58/92/925815892.db2.gz LJAHWGKSMRFVMB-HNNXBMFYSA-N 2 0 282.428 1.097 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001085260408 925840626 /nfs/dbraw/zinc/84/06/26/925840626.db2.gz LSMQORMFBBZRJW-HZPDHXFCSA-N 2 0 296.374 1.598 20 30 CDEDRP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001273796008 925920350 /nfs/dbraw/zinc/92/03/50/925920350.db2.gz SPZXPGRNPDSCHE-OAHLLOKOSA-N 2 0 293.455 1.567 20 30 CDEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290424 937050857 /nfs/dbraw/zinc/05/08/57/937050857.db2.gz DOAIJYDBJRIOIU-HUUCEWRRSA-N 2 0 291.439 1.036 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292336 937050980 /nfs/dbraw/zinc/05/09/80/937050980.db2.gz JVKHIXBDLJBTBD-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520719 937063245 /nfs/dbraw/zinc/06/32/45/937063245.db2.gz WQKLDSMYKVKCLI-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C[NH+]1CCN(c2cc(Nc3ncccc3C#N)cc[nH+]2)CC1 ZINC001201651298 926374782 /nfs/dbraw/zinc/37/47/82/926374782.db2.gz PUYMAFUTQHUJHC-UHFFFAOYSA-N 2 0 294.362 1.844 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102780844 937088285 /nfs/dbraw/zinc/08/82/85/937088285.db2.gz QQLALNGCEOBMJZ-OAGGEKHMSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202316144 926532092 /nfs/dbraw/zinc/53/20/92/926532092.db2.gz NUZUXLNGCVLZJR-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085968608 926553439 /nfs/dbraw/zinc/55/34/39/926553439.db2.gz MFXDDHDFSJMVMA-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001085987535 926569782 /nfs/dbraw/zinc/56/97/82/926569782.db2.gz FUSRVIAALFBMAE-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001086278706 926927071 /nfs/dbraw/zinc/92/70/71/926927071.db2.gz KPRDLLRFQNXZMN-FZNQNYSPSA-N 2 0 299.418 1.479 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103111914 937122539 /nfs/dbraw/zinc/12/25/39/937122539.db2.gz UWDMFQRKHBQXNM-OAGGEKHMSA-N 2 0 295.471 1.833 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001086400190 927079252 /nfs/dbraw/zinc/07/92/52/927079252.db2.gz YNYRSXXUJMWXBB-FPCVCCKLSA-N 2 0 289.423 1.121 20 30 CDEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378746 937138828 /nfs/dbraw/zinc/13/88/28/937138828.db2.gz IMXNPNMTRSCJRS-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001490701356 927310063 /nfs/dbraw/zinc/31/00/63/927310063.db2.gz QRYFCGDKPCVUPR-AWEZNQCLSA-N 2 0 299.846 1.565 20 30 CDEDRP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241745 937224649 /nfs/dbraw/zinc/22/46/49/937224649.db2.gz RFWFBXMWUGZOLE-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=C(Cl)CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217039866 929741853 /nfs/dbraw/zinc/74/18/53/929741853.db2.gz LWQUJDYFCSIHLS-OLZOCXBDSA-N 2 0 285.819 1.319 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180648 930086339 /nfs/dbraw/zinc/08/63/39/930086339.db2.gz ITDONQZVWBQHLW-GJZGRUSLSA-N 2 0 293.455 1.757 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135308007 930139625 /nfs/dbraw/zinc/13/96/25/930139625.db2.gz MQAPPKNLOSVECI-CHWSQXEVSA-N 2 0 291.395 1.461 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135314459 930150463 /nfs/dbraw/zinc/15/04/63/930150463.db2.gz BHPIWTMRZLBCGY-KBPBESRZSA-N 2 0 267.417 1.224 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CCCCC1 ZINC001115573094 937396080 /nfs/dbraw/zinc/39/60/80/937396080.db2.gz HQZOIBDMTAQFGD-OAHLLOKOSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767878 930399160 /nfs/dbraw/zinc/39/91/60/930399160.db2.gz JLNATRNOROYRHJ-GJZGRUSLSA-N 2 0 281.444 1.777 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135922952 930541396 /nfs/dbraw/zinc/54/13/96/930541396.db2.gz DQCFAXULQKCTAW-LSDHHAIUSA-N 2 0 299.459 1.404 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135961129 930579199 /nfs/dbraw/zinc/57/91/99/930579199.db2.gz LZBFRTZDMPYYCM-UONOGXRCSA-N 2 0 269.433 1.777 20 30 CDEDRP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135979921 930580444 /nfs/dbraw/zinc/58/04/44/930580444.db2.gz KGSCKSWCUJNAEJ-GJZGRUSLSA-N 2 0 299.459 1.404 20 30 CDEDRP N#Cc1c(Cl)cc(Cl)nc1N[C@H]([NH3+])CCC[NH3+] ZINC001159787889 930861724 /nfs/dbraw/zinc/86/17/24/930861724.db2.gz DAEQQELMEYHZJH-VIFPVBQESA-N 2 0 274.155 1.696 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153823984 937474583 /nfs/dbraw/zinc/47/45/83/937474583.db2.gz GTTVNVOPTLKEMM-UKRRQHHQSA-N 2 0 279.428 1.177 20 30 CDEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000104179723 931323858 /nfs/dbraw/zinc/32/38/58/931323858.db2.gz SLPRHLJVYGBWEX-CYBMUJFWSA-N 2 0 252.406 1.519 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2cncn2C1 ZINC001154093421 937502126 /nfs/dbraw/zinc/50/21/26/937502126.db2.gz ZSRQWQIWNNYEMC-KGLIPLIRSA-N 2 0 290.411 1.458 20 30 CDEDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(C#N)c1)C2 ZINC001275290346 931725121 /nfs/dbraw/zinc/72/51/21/931725121.db2.gz HPIBUPKJENKGHH-MSOLQXFVSA-N 2 0 298.434 1.626 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001091028048 931732350 /nfs/dbraw/zinc/73/23/50/931732350.db2.gz SINQYGLIRZGMKB-AVVWSFFYSA-N 2 0 291.439 1.389 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171159972 931752665 /nfs/dbraw/zinc/75/26/65/931752665.db2.gz BKOBEEAHYJHIMI-UONOGXRCSA-N 2 0 267.417 1.389 20 30 CDEDRP NC(=O)c1ccc(C(=[NH2+])Nc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001171256301 932153499 /nfs/dbraw/zinc/15/34/99/932153499.db2.gz GMMUFHJFSRKUAE-UHFFFAOYSA-N 2 0 280.331 1.426 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146409349 932246107 /nfs/dbraw/zinc/24/61/07/932246107.db2.gz WMGKNIDJJLKKED-KBPBESRZSA-N 2 0 267.417 1.531 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147825763 932614361 /nfs/dbraw/zinc/61/43/61/932614361.db2.gz REOKYVDAOPLKRM-QWHCGFSZSA-N 2 0 287.835 1.565 20 30 CDEDRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CC#Cc2ccccc2)C1 ZINC001147878103 932627098 /nfs/dbraw/zinc/62/70/98/932627098.db2.gz RVORNNPOGHEVDW-QGZVFWFLSA-N 2 0 299.418 1.086 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147884200 932627891 /nfs/dbraw/zinc/62/78/91/932627891.db2.gz BKIHZZBFOWHFLZ-ZIAGYGMSSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263314 937655127 /nfs/dbraw/zinc/65/51/27/937655127.db2.gz QGUZNJBAKONMBB-OAHLLOKOSA-N 2 0 295.471 1.814 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111171543 934212467 /nfs/dbraw/zinc/21/24/67/934212467.db2.gz ITBQHRMCKPENJU-KFWWJZLASA-N 2 0 279.428 1.626 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001120140751 937782592 /nfs/dbraw/zinc/78/25/92/937782592.db2.gz KSHFUKOSTARWEI-UHFFFAOYSA-N 2 0 279.428 1.677 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001121302105 937866478 /nfs/dbraw/zinc/86/64/78/937866478.db2.gz NQCUVMYAAJMKQW-SWAPUOLTSA-N 2 0 279.428 1.530 20 30 CDEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)CCC[NH+](C)C)C2)C1 ZINC001121663512 937879501 /nfs/dbraw/zinc/87/95/01/937879501.db2.gz MWVDZRABDFGLPE-UHFFFAOYSA-N 2 0 293.455 1.921 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001121990661 937896821 /nfs/dbraw/zinc/89/68/21/937896821.db2.gz QNZQTSIAMHGGKH-LSDHHAIUSA-N 2 0 299.459 1.641 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC001122055749 937902250 /nfs/dbraw/zinc/90/22/50/937902250.db2.gz NCMDJXQNHGEHRC-HZPDHXFCSA-N 2 0 293.455 1.908 20 30 CDEDRP C#CCC[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)CCC ZINC001156516708 938378847 /nfs/dbraw/zinc/37/88/47/938378847.db2.gz AGIJJDRZTUUIKM-OAHLLOKOSA-N 2 0 281.444 1.568 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158426008 938623313 /nfs/dbraw/zinc/62/33/13/938623313.db2.gz YOHSTZPGFJNYLB-MELADBBJSA-N 2 0 265.401 1.413 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001159911460 938759455 /nfs/dbraw/zinc/75/94/55/938759455.db2.gz YQOGZLJITATXJJ-HNNXBMFYSA-N 2 0 279.428 1.369 20 30 CDEDRP N#Cc1cc2nc(N[C@@]3(C[NH3+])C[NH+]4CCC3CC4)ccc2[nH]1 ZINC001160519076 938794248 /nfs/dbraw/zinc/79/42/48/938794248.db2.gz KHHGKVAWAWHLED-INIZCTEOSA-N 2 0 296.378 1.270 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160866401 938834105 /nfs/dbraw/zinc/83/41/05/938834105.db2.gz BKLCRNXGOGWHRS-HUUCEWRRSA-N 2 0 277.412 1.123 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)N(C)[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC001161060256 938867211 /nfs/dbraw/zinc/86/72/11/938867211.db2.gz AQKHBMCDYUDEOC-OBJOEFQTSA-N 2 0 251.374 1.023 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001161563754 938913441 /nfs/dbraw/zinc/91/34/41/938913441.db2.gz GYVIULFNDYTQIB-UHFFFAOYSA-N 2 0 286.379 1.928 20 30 CDEDRP CC#CC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001161758833 938930206 /nfs/dbraw/zinc/93/02/06/938930206.db2.gz SQNJJGMJUXZCQV-UHFFFAOYSA-N 2 0 291.439 1.490 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001164513429 939481649 /nfs/dbraw/zinc/48/16/49/939481649.db2.gz DRTCUHRGVMYING-HNNXBMFYSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001204799177 939792043 /nfs/dbraw/zinc/79/20/43/939792043.db2.gz SEFZWSDKLGEGNH-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP N#CCOc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001205033589 939817070 /nfs/dbraw/zinc/81/70/70/939817070.db2.gz KXGAPJSYLPCRJR-UHFFFAOYSA-N 2 0 259.353 1.760 20 30 CDEDRP N#Cc1cccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205664143 939913207 /nfs/dbraw/zinc/91/32/07/939913207.db2.gz MOLNNJAVMAIVAB-OAHLLOKOSA-N 2 0 259.353 1.234 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001206281842 940010899 /nfs/dbraw/zinc/01/08/99/940010899.db2.gz NQHSDAHPZOLRBE-GOEBONIOSA-N 2 0 291.439 1.036 20 30 CDEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206928580 940112636 /nfs/dbraw/zinc/11/26/36/940112636.db2.gz AOCZUZCHVZCCQR-MRXNPFEDSA-N 2 0 293.455 1.733 20 30 CDEDRP O=C1C=C2C[N@@H+](CC3CC[NH2+]CC3)CCC2S1 ZINC001207435919 940195979 /nfs/dbraw/zinc/19/59/79/940195979.db2.gz OBCDKZQABCTQJK-LBPRGKRZSA-N 2 0 252.383 1.260 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001208423162 940328987 /nfs/dbraw/zinc/32/89/87/940328987.db2.gz FZQGBFJOSYKRQU-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208491203 940335387 /nfs/dbraw/zinc/33/53/87/940335387.db2.gz BYJVWCWPZFKBSV-HNNXBMFYSA-N 2 0 289.423 1.219 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001215474506 940888484 /nfs/dbraw/zinc/88/84/84/940888484.db2.gz VSSFJUFVVQQWNJ-RBSFLKMASA-N 2 0 279.428 1.032 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001215518813 940892326 /nfs/dbraw/zinc/89/23/26/940892326.db2.gz NHDLYDUMNYVDFO-BZUAXINKSA-N 2 0 293.455 1.567 20 30 CDEDRP Cc1[nH]c(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)c(C#N)c1C ZINC001218556633 941235753 /nfs/dbraw/zinc/23/57/53/941235753.db2.gz VSCXYOJOXXTEKX-ZDUSSCGKSA-N 2 0 291.399 1.501 20 30 CDEDRP C[C@@H](C#N)c1ccc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cc1 ZINC001218871168 941281778 /nfs/dbraw/zinc/28/17/78/941281778.db2.gz HYZVSXWHIIBYLW-FZMZJTMJSA-N 2 0 284.363 1.061 20 30 CDEDRP C#Cc1ccc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])cc1F ZINC001219384208 941337975 /nfs/dbraw/zinc/33/79/75/941337975.db2.gz LCGWPVHOJSXEAX-LBPRGKRZSA-N 2 0 277.343 1.592 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)CC)[C@@H]2C1 ZINC001221657160 941545943 /nfs/dbraw/zinc/54/59/43/941545943.db2.gz MOLOLZOZDVVIFE-HUUCEWRRSA-N 2 0 291.439 1.273 20 30 CDEDRP C=C(C)CC[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224337749 941744414 /nfs/dbraw/zinc/74/44/14/941744414.db2.gz NBVZMXDYVYASEB-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001225541989 941877055 /nfs/dbraw/zinc/87/70/55/941877055.db2.gz FTFWITCGXDKLQF-GASCZTMLSA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)CC ZINC001227150144 942141189 /nfs/dbraw/zinc/14/11/89/942141189.db2.gz KPEAKXHIOUAZMU-HUUCEWRRSA-N 2 0 293.455 1.757 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001228341371 942302240 /nfs/dbraw/zinc/30/22/40/942302240.db2.gz CLSZPIHQJACUNI-HZPDHXFCSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CC[N@H+]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001282834512 942756844 /nfs/dbraw/zinc/75/68/44/942756844.db2.gz WVQWWFFOFKKIPD-KBPBESRZSA-N 2 0 281.444 1.585 20 30 CDEDRP C#Cc1cccc(C[N@H+](C)CCN2CC[NH+](C)CC2)c1 ZINC001231662872 942965503 /nfs/dbraw/zinc/96/55/03/942965503.db2.gz KJCVOXZFIITQEA-UHFFFAOYSA-N 2 0 271.408 1.347 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC001263103033 943745021 /nfs/dbraw/zinc/74/50/21/943745021.db2.gz LSKNABYQCHUGLX-SCRDCRAPSA-N 2 0 265.401 1.411 20 30 CDEDRP C=CC[NH2+]CCN1CC[NH2+]C[C@@H]1c1ccccc1F ZINC001235743277 944264181 /nfs/dbraw/zinc/26/41/81/944264181.db2.gz MRAIQMDXEKZABJ-OAHLLOKOSA-N 2 0 263.360 1.548 20 30 CDEDRP [NH3+]CCN(CC[NH3+])Cc1ccccc1C#Cc1ccccc1 ZINC001235877401 944305462 /nfs/dbraw/zinc/30/54/62/944305462.db2.gz KLNPWSHIMNMHBE-UHFFFAOYSA-N 2 0 293.414 1.806 20 30 CDEDRP [NH2+]=C(N[C@H]1CC2CC[NH+](CC2)C1)c1ccc(Cl)cn1 ZINC001254838800 947615717 /nfs/dbraw/zinc/61/57/17/947615717.db2.gz HTJMYHPBYQDJCP-LBPRGKRZSA-N 2 0 278.787 1.925 20 30 CDEDRP CC[C@H](CC#N)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001255174077 947764655 /nfs/dbraw/zinc/76/46/55/947764655.db2.gz PSKMDZPUJDQCQK-OAHLLOKOSA-N 2 0 268.449 1.884 20 30 CDEDRP C#CCN1CCN([C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256922617 948458568 /nfs/dbraw/zinc/45/85/68/948458568.db2.gz MIGBGZOJYSCCKD-QGZVFWFLSA-N 2 0 275.440 1.644 20 30 CDEDRP C=C[C@@](C)(O)C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001252557412 951449140 /nfs/dbraw/zinc/44/91/40/951449140.db2.gz MHPNORFJIAPTQZ-OAHLLOKOSA-N 2 0 261.369 1.449 20 30 CDEDRP C=C[C@@H](O)C[NH2+]CC1CC[NH+](CC(C)(C)C)CC1 ZINC001253607103 951992913 /nfs/dbraw/zinc/99/29/13/951992913.db2.gz RSAMJKQKLYOXKW-CQSZACIVSA-N 2 0 254.418 1.881 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001100407661 968265480 /nfs/dbraw/zinc/26/54/80/968265480.db2.gz DYBJCTJKWTWKQC-UXUKBGGZSA-N 2 0 299.846 1.564 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001100446194 968378058 /nfs/dbraw/zinc/37/80/58/968378058.db2.gz UCXYOENJLPOHPS-YMAMQOFZSA-N 2 0 279.428 1.531 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001495730089 972612777 /nfs/dbraw/zinc/61/27/77/972612777.db2.gz HDALYXADQYIXMF-LLVKDONJSA-N 2 0 287.835 1.423 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001374206275 973809234 /nfs/dbraw/zinc/80/92/34/973809234.db2.gz NIMXGFSDGJZRQA-VXGBXAGGSA-N 2 0 273.808 1.270 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001394861170 978286830 /nfs/dbraw/zinc/28/68/30/978286830.db2.gz JHRFPTZORUSOFR-BPCQOVAHSA-N 2 0 287.835 1.658 20 30 CDEDRP C#CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132153464 1163182477 /nfs/dbraw/zinc/18/24/77/1163182477.db2.gz QWBNIZXMNMPNLZ-CABCVRRESA-N 2 0 293.455 1.709 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132437647 1163291435 /nfs/dbraw/zinc/29/14/35/1163291435.db2.gz WOXCKWGOJLWZSX-CVEARBPZSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]cn2)CC[C@H]1C ZINC001132874081 1163498335 /nfs/dbraw/zinc/49/83/35/1163498335.db2.gz DKRJRRKXUPTHFS-KGLIPLIRSA-N 2 0 290.411 1.603 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001133083433 1163563449 /nfs/dbraw/zinc/56/34/49/1163563449.db2.gz JZJTYZUNAYRTEB-HOCLYGCPSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001133229006 1163608422 /nfs/dbraw/zinc/60/84/22/1163608422.db2.gz DTQAZJADDGVBFF-CVEARBPZSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001133274890 1163622761 /nfs/dbraw/zinc/62/27/61/1163622761.db2.gz ODIVTFCLUOYXLT-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133287954 1163625470 /nfs/dbraw/zinc/62/54/70/1163625470.db2.gz QLRGVMOQSHUGLC-ZDUSSCGKSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CCN(C[C@H]1CCCC[N@H+]1C(C)C)C1CC[NH2+]CC1 ZINC001574666613 1170998145 /nfs/dbraw/zinc/99/81/45/1170998145.db2.gz BFPUUGMSCWMYGV-QGZVFWFLSA-N 2 0 277.456 1.937 20 30 CDEDRP CN(CCC[N@H+](C)Cc1cc(C#N)n(C)c1)CC[NH+](C)C ZINC000290269767 365569116 /nfs/dbraw/zinc/56/91/16/365569116.db2.gz XUMWEVMVGMVDIR-UHFFFAOYSA-N 2 0 291.443 1.212 20 30 CDEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]CCC[NH+]1CCCCC1 ZINC000598705033 343877375 /nfs/dbraw/zinc/87/73/75/343877375.db2.gz XGIULRYNVVYYPF-CQSZACIVSA-N 2 0 267.417 1.753 20 30 CDEDRP C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1CC[NH+](C)CC1 ZINC000598720919 343883666 /nfs/dbraw/zinc/88/36/66/343883666.db2.gz QXZFYXDEFJIWHI-JSGCOSHPSA-N 2 0 267.417 1.607 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000264049614 362952642 /nfs/dbraw/zinc/95/26/42/362952642.db2.gz LYHGNYXYDJQDQP-LBPRGKRZSA-N 2 0 276.384 1.429 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccccc1 ZINC000264055058 362953684 /nfs/dbraw/zinc/95/36/84/362953684.db2.gz AJCAFIADKBEILZ-HNNXBMFYSA-N 2 0 274.412 1.618 20 30 CDEDRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000358189472 356636281 /nfs/dbraw/zinc/63/62/81/356636281.db2.gz MQVMZLHNEVSGSG-CZUORRHYSA-N 2 0 273.380 1.867 20 30 CDEDRP CC#CCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000155328154 361494492 /nfs/dbraw/zinc/49/44/92/361494492.db2.gz QCSHKSQRSWBHIV-IAGOWNOFSA-N 2 0 277.456 1.890 20 30 CDEDRP C[NH+]=C(NCC[N@@H+]1CCCC[C@H]1C)NCc1ccco1 ZINC000171409841 365274228 /nfs/dbraw/zinc/27/42/28/365274228.db2.gz FEZWIOIQXUANDD-CYBMUJFWSA-N 2 0 278.400 1.819 20 30 CDEDRP COc1cc(C[NH2+]C2CCC([NH3+])CC2)ccc1C#N ZINC000414752323 241367737 /nfs/dbraw/zinc/36/77/37/241367737.db2.gz PAKLDXROFJCICE-UHFFFAOYSA-N 2 0 259.353 1.926 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH+](CC)CC)C2)CC1 ZINC000174127150 367053029 /nfs/dbraw/zinc/05/30/29/367053029.db2.gz YJZRCCGZRBPIFK-INIZCTEOSA-N 2 0 291.439 1.274 20 30 CDEDRP CC1CC[NH+](C[C@@H](O)CNCc2cc(C#N)n(C)c2)CC1 ZINC000331108369 374890538 /nfs/dbraw/zinc/89/05/38/374890538.db2.gz RUAVRKPZJUWADI-INIZCTEOSA-N 2 0 290.411 1.079 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000417528893 377877152 /nfs/dbraw/zinc/87/71/52/377877152.db2.gz PBASDTNTDMYCKF-OAHLLOKOSA-N 2 0 294.443 1.454 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@H](C)[NH+](C)C)CC1 ZINC000664017711 413022657 /nfs/dbraw/zinc/02/26/57/413022657.db2.gz ZOEHYCGTLSBTAW-AWEZNQCLSA-N 2 0 296.459 1.666 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662448271 413027910 /nfs/dbraw/zinc/02/79/10/413027910.db2.gz LFTHOZNURRFXJO-UHFFFAOYSA-N 2 0 285.391 1.670 20 30 CDEDRP C[NH+]=C(NCc1cccs1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262013372 390983609 /nfs/dbraw/zinc/98/36/09/390983609.db2.gz XEBMJLKGPPFTFG-BXUZGUMPSA-N 2 0 292.452 1.896 20 30 CDEDRP C#CC[NH+](C)CCCNC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000491484133 391144531 /nfs/dbraw/zinc/14/45/31/391144531.db2.gz HOWDBUZUWGMTGW-UHFFFAOYSA-N 2 0 294.443 1.067 20 30 CDEDRP CN(C)C(=[NH2+])NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000178567060 391187948 /nfs/dbraw/zinc/18/79/48/391187948.db2.gz UWGSHXWGIFYTIX-UHFFFAOYSA-N 2 0 290.411 1.020 20 30 CDEDRP C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000339059094 391248588 /nfs/dbraw/zinc/24/85/88/391248588.db2.gz FMUGCSUMZDGHED-QBPKDAKJSA-N 2 0 290.455 1.636 20 30 CDEDRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC2(C#N)CC2)CC1 ZINC000332134718 391341964 /nfs/dbraw/zinc/34/19/64/391341964.db2.gz KQEMULODLGWKEQ-CYBMUJFWSA-N 2 0 265.401 1.315 20 30 CDEDRP C=CCNC(=[NH2+])NCCN1CCc2sccc2C1 ZINC000261907034 391727742 /nfs/dbraw/zinc/72/77/42/391727742.db2.gz XERGOPKVYSRSIF-UHFFFAOYSA-N 2 0 264.398 1.197 20 30 CDEDRP Cn1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1C#N ZINC000190991971 130170164 /nfs/dbraw/zinc/17/01/64/130170164.db2.gz PNQYMOQLVZXOBY-HNNXBMFYSA-N 2 0 290.411 1.223 20 30 CDEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191614440 130262936 /nfs/dbraw/zinc/26/29/36/130262936.db2.gz XISOQONTOFGPGP-CQSZACIVSA-N 2 0 289.427 1.012 20 30 CDEDRP CC[N@H+](C)Cc1cccc(CNC2=[NH+]C[C@@H](C)N2)c1 ZINC000262643391 391805535 /nfs/dbraw/zinc/80/55/35/391805535.db2.gz IGPSKXOFGFFEQL-GFCCVEGCSA-N 2 0 260.385 1.576 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000372785011 391864612 /nfs/dbraw/zinc/86/46/12/391864612.db2.gz NOYFHGZLNWHXGS-KRWDZBQOSA-N 2 0 296.455 1.748 20 30 CDEDRP C=CC[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000661377929 414034028 /nfs/dbraw/zinc/03/40/28/414034028.db2.gz WVBPQINZKYSXHB-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C[NH+]=C(NCc1ccccn1)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158256027 261161673 /nfs/dbraw/zinc/16/16/73/261161673.db2.gz ZORCBQAGJJAANJ-ZFWWWQNUSA-N 2 0 289.427 1.475 20 30 CDEDRP C[N@H+](CCCSCC#N)C[C@@H]1CCC[NH+](C)C1 ZINC000173898621 261173020 /nfs/dbraw/zinc/17/30/20/261173020.db2.gz OIZHOQHOICFTNO-CYBMUJFWSA-N 2 0 255.431 1.907 20 30 CDEDRP C[NH+]=C(NCCc1csc(C)n1)NC[C@H]1CCC[N@@H+]1C ZINC000262536113 262776787 /nfs/dbraw/zinc/77/67/87/262776787.db2.gz OHTYYCPNRDLCNV-CYBMUJFWSA-N 2 0 295.456 1.253 20 30 CDEDRP C[C@H]1C[NH+]=C(NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)N1 ZINC000262658971 262781258 /nfs/dbraw/zinc/78/12/58/262781258.db2.gz MKPUFGWLEIMYTB-XJKSGUPXSA-N 2 0 286.423 1.834 20 30 CDEDRP C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)C1=O ZINC000414756363 263039337 /nfs/dbraw/zinc/03/93/37/263039337.db2.gz QOKZRWFEEKIQMY-MJBXVCDLSA-N 2 0 265.401 1.093 20 30 CDEDRP COc1ccccc1CNC(=[NH2+])NC[C@@H](C)C[NH+](C)C ZINC000292000523 263127104 /nfs/dbraw/zinc/12/71/04/263127104.db2.gz XMPKKCSEKBRSLB-GFCCVEGCSA-N 2 0 278.400 1.297 20 30 CDEDRP C#CCNC(NC[C@H]1CCCC[N@@H+]1CC)=[NH+]CC ZINC000132002548 264378141 /nfs/dbraw/zinc/37/81/41/264378141.db2.gz NKGFZMCOYIPSBG-CYBMUJFWSA-N 2 0 250.390 1.049 20 30 CDEDRP C[NH+]=C(NCc1ccccn1)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261948672 328143338 /nfs/dbraw/zinc/14/33/38/328143338.db2.gz GQNKUWTZFXJIJW-WFASDCNBSA-N 2 0 287.411 1.229 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCSC1 ZINC000262328324 330006350 /nfs/dbraw/zinc/00/63/50/330006350.db2.gz URDHTDNLSQCNDJ-CHWSQXEVSA-N 2 0 284.473 1.518 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(C)CCCS1 ZINC000262352465 330007588 /nfs/dbraw/zinc/00/75/88/330007588.db2.gz FKFAQILKMHVKPZ-GXTWGEPZSA-N 2 0 284.473 1.661 20 30 CDEDRP C=CCN1CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422863545 330158131 /nfs/dbraw/zinc/15/81/31/330158131.db2.gz RXPMSRJOATXXIL-ZFWWWQNUSA-N 2 0 251.418 1.744 20 30 CDEDRP CC(C)CN(C(=O)[C@@H]([NH3+])CCCC#N)C1CC[NH+](C)CC1 ZINC000424190526 330322945 /nfs/dbraw/zinc/32/29/45/330322945.db2.gz MNHPZZMHZSOAMY-HNNXBMFYSA-N 2 0 294.443 1.586 20 30 CDEDRP C=CCC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)C1CC1 ZINC000119918420 330380182 /nfs/dbraw/zinc/38/01/82/330380182.db2.gz FPWBDTKIRMQXHW-INIZCTEOSA-N 2 0 265.445 1.958 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H]1C)C(C)C ZINC000565360316 334555556 /nfs/dbraw/zinc/55/55/56/334555556.db2.gz BOFIAUCPWXWUFT-OWCLPIDISA-N 2 0 293.455 1.799 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)CC(C)(C)[NH3+])C(C)C ZINC000236655497 482600086 /nfs/dbraw/zinc/60/00/86/482600086.db2.gz XZMFPQBTVLTPLG-AWEZNQCLSA-N 2 0 281.444 1.929 20 30 CDEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001753829014 1185348392 /nfs/dbraw/zinc/34/83/92/1185348392.db2.gz IWKFGYWWMLROKM-KFWWJZLASA-N 2 0 281.444 1.633 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001755260333 1185880659 /nfs/dbraw/zinc/88/06/59/1185880659.db2.gz OUCOAFQEUMOORA-GJZGRUSLSA-N 2 0 281.444 1.777 20 30 CDEDRP C[NH+](C)CC1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000068766229 524049844 /nfs/dbraw/zinc/04/98/44/524049844.db2.gz WXDMZDUJTVIGLL-UHFFFAOYSA-N 2 0 258.369 1.727 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000565549988 538340950 /nfs/dbraw/zinc/34/09/50/538340950.db2.gz QJMVOJVRWAXMEE-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP Cc1ccc(NC(=[NH2+])NCCCN2CCOCC2)cc1 ZINC000104152635 1174692318 /nfs/dbraw/zinc/69/23/18/1174692318.db2.gz IICGEIGWYIKTNZ-UHFFFAOYSA-N 2 0 276.384 1.444 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000730282303 574909860 /nfs/dbraw/zinc/90/98/60/574909860.db2.gz FWCPOVDDWZJINJ-KBPBESRZSA-N 2 0 286.379 1.213 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000764540279 575919878 /nfs/dbraw/zinc/91/98/78/575919878.db2.gz MQINMUWNGANIPV-ZDUSSCGKSA-N 2 0 269.433 1.587 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000764607329 575925291 /nfs/dbraw/zinc/92/52/91/575925291.db2.gz NBLOBMGDSYUECC-UHFFFAOYSA-N 2 0 279.384 1.288 20 30 CDEDRP C#CCCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000766930492 576147100 /nfs/dbraw/zinc/14/71/00/576147100.db2.gz HEDPGSHPKHUMSJ-RRFJBIMHSA-N 2 0 250.386 1.583 20 30 CDEDRP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000981413386 612971689 /nfs/dbraw/zinc/97/16/89/612971689.db2.gz CSGCZINGVBQQDJ-JKSUJKDBSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000980475979 613092751 /nfs/dbraw/zinc/09/27/51/613092751.db2.gz LXRMUBPDUYMFTD-LSDHHAIUSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CCC)C2)CC1 ZINC000970920065 613131566 /nfs/dbraw/zinc/13/15/66/613131566.db2.gz IRYQGULXFSOIDM-CQSZACIVSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981193988 613253731 /nfs/dbraw/zinc/25/37/31/613253731.db2.gz KNWMPDCHYZNCET-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981526989 613386765 /nfs/dbraw/zinc/38/67/65/613386765.db2.gz CLJCGZOSJVKVRJ-KBPBESRZSA-N 2 0 299.846 1.852 20 30 CDEDRP C=CCC[N@H+]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000981440417 613493764 /nfs/dbraw/zinc/49/37/64/613493764.db2.gz WNWMRPDWSKMULI-CQSZACIVSA-N 2 0 267.417 1.437 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968152161 613515154 /nfs/dbraw/zinc/51/51/54/613515154.db2.gz JYFZVDMWONJTSX-ZBFHGGJFSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944944024 613520559 /nfs/dbraw/zinc/52/05/59/613520559.db2.gz LHFYWTPPIXCKQT-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[NH+]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000975029566 613554216 /nfs/dbraw/zinc/55/42/16/613554216.db2.gz BYJWAYARPAPEML-CABCVRRESA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC000960839775 613566987 /nfs/dbraw/zinc/56/69/87/613566987.db2.gz TVFWDNNPWSOHAC-ZSHCYNCHSA-N 2 0 296.374 1.570 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000980476539 613630669 /nfs/dbraw/zinc/63/06/69/613630669.db2.gz SNDXUVXLJTZIPS-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944152212 613741155 /nfs/dbraw/zinc/74/11/55/613741155.db2.gz CCGFFGRRWSUSDF-UONOGXRCSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947779241 613781081 /nfs/dbraw/zinc/78/10/81/613781081.db2.gz OEJSIYWNOWXZCA-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC000978448526 613836514 /nfs/dbraw/zinc/83/65/14/613836514.db2.gz YSJPRKWOZNWFDO-PHZGNYQRSA-N 2 0 296.374 1.428 20 30 CDEDRP C#CC[C@H](CCOC)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000862548108 620736673 /nfs/dbraw/zinc/73/66/73/620736673.db2.gz XWKHGCFYTGODED-CQSZACIVSA-N 2 0 252.402 1.877 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000104167687 617985224 /nfs/dbraw/zinc/98/52/24/617985224.db2.gz LZKFERLMHRIEBQ-OCCSQVGLSA-N 2 0 284.448 1.436 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000911634389 629378232 /nfs/dbraw/zinc/37/82/32/629378232.db2.gz NJKQBUQPMMGRPD-STQMWFEESA-N 2 0 253.390 1.128 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000911651158 629396563 /nfs/dbraw/zinc/39/65/63/629396563.db2.gz BQDWNGWUFVZZRU-LBPRGKRZSA-N 2 0 253.390 1.448 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000911676339 629407321 /nfs/dbraw/zinc/40/73/21/629407321.db2.gz HFCSYUJMNFDNSG-AWEZNQCLSA-N 2 0 265.401 1.413 20 30 CDEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157712089 1162333268 /nfs/dbraw/zinc/33/32/68/1162333268.db2.gz YWOMPRGCIHPXEM-HUUCEWRRSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001106339700 1161145268 /nfs/dbraw/zinc/14/52/68/1161145268.db2.gz ZFSIZRSZPSNUPG-ZIAGYGMSSA-N 2 0 279.428 1.034 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001133890274 1163951696 /nfs/dbraw/zinc/95/16/96/1163951696.db2.gz NEVSMEMRRTUKNC-UHFFFAOYSA-N 2 0 287.407 1.133 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001202532318 1165249841 /nfs/dbraw/zinc/24/98/41/1165249841.db2.gz XEOJRCGYVDKNAF-HNNXBMFYSA-N 2 0 281.444 1.873 20 30 CDEDRP C[NH+](C)CCCC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000045697058 1166276263 /nfs/dbraw/zinc/27/62/63/1166276263.db2.gz QYXHWIBTFSFQKW-OAHLLOKOSA-N 2 0 291.395 1.229 20 30 CDEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001567218233 1168625183 /nfs/dbraw/zinc/62/51/83/1168625183.db2.gz GUAFGSKKMKDTLW-GJZGRUSLSA-N 2 0 279.428 1.369 20 30 CDEDRP C#CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH2+]CC1 ZINC001574583078 1170993243 /nfs/dbraw/zinc/99/32/43/1170993243.db2.gz DCCSKTKLPKRWAJ-GDBMZVCRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC1(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[NH2+]C1 ZINC001574881080 1171035546 /nfs/dbraw/zinc/03/55/46/1171035546.db2.gz ZJVFFLOEAQNPKP-MRXNPFEDSA-N 2 0 299.418 1.543 20 30 CDEDRP C=C(C)CC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001752484708 1184870389 /nfs/dbraw/zinc/87/03/89/1184870389.db2.gz QWTKVPSZMFQQIS-GDBMZVCRSA-N 2 0 293.455 1.779 20 30 CDEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001752766407 1184906700 /nfs/dbraw/zinc/90/67/00/1184906700.db2.gz ITGSTOAXSUINPV-FZKCQIBNSA-N 2 0 289.423 1.263 20 30 CDEDRP C=C(C)C[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001753065886 1185033518 /nfs/dbraw/zinc/03/35/18/1185033518.db2.gz CDCKBZJETQHTBJ-HNNXBMFYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001753468422 1185222877 /nfs/dbraw/zinc/22/28/77/1185222877.db2.gz GYWGXHXJBVPKNM-KBPBESRZSA-N 2 0 267.417 1.531 20 30 CDEDRP C#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+](C)CCC)CC2 ZINC001753603455 1185263640 /nfs/dbraw/zinc/26/36/40/1185263640.db2.gz ZYQTWFGQBNADGM-UHFFFAOYSA-N 2 0 291.439 1.276 20 30 CDEDRP C#CCC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001753837781 1185352112 /nfs/dbraw/zinc/35/21/12/1185352112.db2.gz IQOHEPRIEGQLBQ-HNNXBMFYSA-N 2 0 279.428 1.082 20 30 CDEDRP C=C(Cl)C[NH2+]CCN(CC)C(=O)C[N@H+](C)C(C)C ZINC001754085166 1185453574 /nfs/dbraw/zinc/45/35/74/1185453574.db2.gz WCCXQZSCCPSOKJ-UHFFFAOYSA-N 2 0 275.824 1.517 20 30 CDEDRP C=C(Cl)C[NH2+]C/C=C/CNC(=O)C1([NH+](C)C)CCC1 ZINC001754130061 1185478450 /nfs/dbraw/zinc/47/84/50/1185478450.db2.gz VWTLIFDWDBVXFA-SNAWJCMRSA-N 2 0 285.819 1.485 20 30 CDEDRP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001754332225 1185585066 /nfs/dbraw/zinc/58/50/66/1185585066.db2.gz ATLHIOQRLUJJAR-KBPBESRZSA-N 2 0 267.417 1.341 20 30 CDEDRP C#CC[NH+]1CCC[C@](C)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001754730034 1185716505 /nfs/dbraw/zinc/71/65/05/1185716505.db2.gz BSLATDSNKZESSF-NVXWUHKLSA-N 2 0 291.439 1.180 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001754868203 1185752001 /nfs/dbraw/zinc/75/20/01/1185752001.db2.gz NIQTZANQMXQJLE-JKSUJKDBSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001755506681 1185975821 /nfs/dbraw/zinc/97/58/21/1185975821.db2.gz KBBRDBZKSWJACT-HUUCEWRRSA-N 2 0 279.428 1.369 20 30 CDEDRP CCCCCCNC(=[NH2+])NC[C@@H]1CC[N@H+](CC)C1 ZINC000303893711 782193572 /nfs/dbraw/zinc/19/35/72/782193572.db2.gz OJJIARAAWMSERY-ZDUSSCGKSA-N 2 0 254.422 1.813 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134021049 1164006541 /nfs/dbraw/zinc/00/65/41/1164006541.db2.gz PERLUNALOPNCIR-OAHLLOKOSA-N 2 0 297.443 1.159 20 30 CDEDRP C=CCC[C@@H](O)CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001252604028 1164574021 /nfs/dbraw/zinc/57/40/21/1164574021.db2.gz LFELUMRRAOEGHS-QGZVFWFLSA-N 2 0 295.471 1.273 20 30 CDEDRP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028647898 782196426 /nfs/dbraw/zinc/19/64/26/782196426.db2.gz PKVLXDGBURFCJX-CVEARBPZSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000997361940 782233902 /nfs/dbraw/zinc/23/39/02/782233902.db2.gz YOUUSASFBFGXBB-ZIAGYGMSSA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001048891595 782259404 /nfs/dbraw/zinc/25/94/04/782259404.db2.gz RFOWPAFBTFSZAF-OWCLPIDISA-N 2 0 293.455 1.683 20 30 CDEDRP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001040112498 782527765 /nfs/dbraw/zinc/52/77/65/782527765.db2.gz AAQOJFXMDWUPKB-DOTOQJQBSA-N 2 0 289.423 1.028 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001020591486 780599934 /nfs/dbraw/zinc/59/99/34/780599934.db2.gz OVXMZCCVNPHPBD-HDJSIYSDSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C(C)(C)[C@H]([NH3+])C(C)C)CC1 ZINC000884214284 782595325 /nfs/dbraw/zinc/59/53/25/782595325.db2.gz XVYNIJGRIQWRMM-CQSZACIVSA-N 2 0 281.444 1.763 20 30 CDEDRP C#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001024513590 782626339 /nfs/dbraw/zinc/62/63/39/782626339.db2.gz RELYXPIWKZMQNQ-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C[C@H](CC(C)(C)C#N)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000924631015 782651739 /nfs/dbraw/zinc/65/17/39/782651739.db2.gz CYJWVZJDTTUFOM-CQSZACIVSA-N 2 0 280.460 1.930 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995973971 782679061 /nfs/dbraw/zinc/67/90/61/782679061.db2.gz GPSREGRAIOSAOU-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001074769528 782764041 /nfs/dbraw/zinc/76/40/41/782764041.db2.gz HHVFRPCUEDVCLR-BPUTZDHNSA-N 2 0 289.423 1.073 20 30 CDEDRP C#CCCN1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000874264041 782788723 /nfs/dbraw/zinc/78/87/23/782788723.db2.gz PORXVRMWJLUMFG-MRXNPFEDSA-N 2 0 289.423 1.171 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001027434270 782797141 /nfs/dbraw/zinc/79/71/41/782797141.db2.gz NKCQODBZOOACOA-JKSUJKDBSA-N 2 0 291.439 1.417 20 30 CDEDRP CC[N@H+](CCCNC1=[NH+]C[C@@H](C)N1)C1CCCCC1 ZINC000849047101 783002423 /nfs/dbraw/zinc/00/24/23/783002423.db2.gz QJHQREITYPOUFK-CYBMUJFWSA-N 2 0 266.433 1.968 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC)C1 ZINC001014780104 783014880 /nfs/dbraw/zinc/01/48/80/783014880.db2.gz PKHFMLUCPOEHSS-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001032627662 783073737 /nfs/dbraw/zinc/07/37/37/783073737.db2.gz DKPWZEONRIMCSA-ILXRZTDVSA-N 2 0 277.412 1.189 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001003628659 783182376 /nfs/dbraw/zinc/18/23/76/783182376.db2.gz SNQIVVUQQABWEI-CQSZACIVSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032129431 780227777 /nfs/dbraw/zinc/22/77/77/780227777.db2.gz XZGPETNXVFBIQZ-CABCVRRESA-N 2 0 279.428 1.341 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001036302959 780299148 /nfs/dbraw/zinc/29/91/48/780299148.db2.gz KSUIREVXXNDMLM-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C[C@H]1CC[N@H+](Cc2ccccc2)CC1N=NC(N)=[NH2+] ZINC000776186055 780302016 /nfs/dbraw/zinc/30/20/16/780302016.db2.gz PONGXEGQOBOXJN-NSHDSACASA-N 2 0 259.357 1.367 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001041833015 780545359 /nfs/dbraw/zinc/54/53/59/780545359.db2.gz KISMUICCISUMRQ-KRWDZBQOSA-N 2 0 291.439 1.583 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001003775846 780589357 /nfs/dbraw/zinc/58/93/57/780589357.db2.gz BRNWENHXVVSWHK-CVEARBPZSA-N 2 0 289.423 1.217 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000804526514 780696685 /nfs/dbraw/zinc/69/66/85/780696685.db2.gz IFDXQDJXHFNJIR-PMPSAXMXSA-N 2 0 289.423 1.169 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](CC)C1)N1CCCC1 ZINC000103891906 780896341 /nfs/dbraw/zinc/89/63/41/780896341.db2.gz IXXDAHMOCOJHBJ-ZDUSSCGKSA-N 2 0 252.406 1.390 20 30 CDEDRP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001041140413 780992148 /nfs/dbraw/zinc/99/21/48/780992148.db2.gz JOGLPDBZDAQPSH-RDJZCZTQSA-N 2 0 291.439 1.581 20 30 CDEDRP CCOCCCNC(=[NH2+])NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303895396 781006434 /nfs/dbraw/zinc/00/64/34/781006434.db2.gz PKYPLURQQUIEIA-GASCZTMLSA-N 2 0 298.475 1.685 20 30 CDEDRP C[C@@H](C[NH+]=C(N(C)C)N(C)C)C[NH+]1CCCCC1 ZINC000104176379 781018767 /nfs/dbraw/zinc/01/87/67/781018767.db2.gz JHRANTBMGZGNJD-ZDUSSCGKSA-N 2 0 254.422 1.588 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001016807886 781073253 /nfs/dbraw/zinc/07/32/53/781073253.db2.gz OBYCWNSRDWJVKH-HNNXBMFYSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000986824197 781130161 /nfs/dbraw/zinc/13/01/61/781130161.db2.gz KXYIXKHPTPPCIK-JSGCOSHPSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CC ZINC001037847582 781286853 /nfs/dbraw/zinc/28/68/53/781286853.db2.gz AMBZNZKABLQYJB-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000996731640 781471320 /nfs/dbraw/zinc/47/13/20/781471320.db2.gz ZCMPTRAJOUYMQV-AWEZNQCLSA-N 2 0 299.846 1.804 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001034733423 781504325 /nfs/dbraw/zinc/50/43/25/781504325.db2.gz BUSDFTSAADBYEX-KKUMJFAQSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999976687 781789200 /nfs/dbraw/zinc/78/92/00/781789200.db2.gz YLOLYSSOYOTGCC-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072080894 781791460 /nfs/dbraw/zinc/79/14/60/781791460.db2.gz DDMOHKWRJDUFKO-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033099257 781830528 /nfs/dbraw/zinc/83/05/28/781830528.db2.gz OJIXPWHBQBXSDO-HRCADAONSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015499153 781835693 /nfs/dbraw/zinc/83/56/93/781835693.db2.gz ODEZCCRELRYQHW-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[N@@H+](C)CCCN[C@@H](C)c1cnnn1-c1ccccc1 ZINC000926489214 781846528 /nfs/dbraw/zinc/84/65/28/781846528.db2.gz FKJSKHJDOQLMBN-HNNXBMFYSA-N 2 0 297.406 1.873 20 30 CDEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001005998874 783294088 /nfs/dbraw/zinc/29/40/88/783294088.db2.gz VNALGFRQLPUEBP-GOEBONIOSA-N 2 0 291.439 1.130 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000303717928 783301240 /nfs/dbraw/zinc/30/12/40/783301240.db2.gz UNITULDGMWKAKF-UHFFFAOYSA-N 2 0 294.399 1.772 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001022713977 783513143 /nfs/dbraw/zinc/51/31/43/783513143.db2.gz OHLCXXSUZABJJP-DVOMOZLQSA-N 2 0 297.418 1.622 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001566629211 1168363933 /nfs/dbraw/zinc/36/39/33/1168363933.db2.gz VEYMRGOCKUEEGH-AWEZNQCLSA-N 2 0 281.444 1.731 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001014957590 912573292 /nfs/dbraw/zinc/57/32/92/912573292.db2.gz ADISFMINHHFRPZ-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001121900072 913208796 /nfs/dbraw/zinc/20/87/96/913208796.db2.gz AJCARQBANPSOHZ-HUUCEWRRSA-N 2 0 297.443 1.143 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001106211225 913622583 /nfs/dbraw/zinc/62/25/83/913622583.db2.gz WROWRKNXVYFGLZ-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001167237197 894931531 /nfs/dbraw/zinc/93/15/31/894931531.db2.gz WZLCSAPVKPVQMF-GJZGRUSLSA-N 2 0 291.439 1.084 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001106581566 914043376 /nfs/dbraw/zinc/04/33/76/914043376.db2.gz ILUVFZTVDILLGH-FXUDXRNXSA-N 2 0 293.455 1.587 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106622952 914074604 /nfs/dbraw/zinc/07/46/04/914074604.db2.gz ZPSSHCVWNWHIGF-ZIAGYGMSSA-N 2 0 267.417 1.198 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001106673083 914125030 /nfs/dbraw/zinc/12/50/30/914125030.db2.gz BETIKPOLVNOBRC-KFWWJZLASA-N 2 0 281.444 1.587 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001167639980 897140549 /nfs/dbraw/zinc/14/05/49/897140549.db2.gz JOXYEXBDYMOQEL-UHFFFAOYSA-N 2 0 279.428 1.228 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023750887 897790601 /nfs/dbraw/zinc/79/06/01/897790601.db2.gz ZBDIPVNUUYXBIV-HUUCEWRRSA-N 2 0 279.428 1.342 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001020339599 899261405 /nfs/dbraw/zinc/26/14/05/899261405.db2.gz WOPVGVKWHMFYTJ-BZUAXINKSA-N 2 0 293.455 1.920 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001176856050 914351886 /nfs/dbraw/zinc/35/18/86/914351886.db2.gz HBIHDXVCSWFXJZ-HUUCEWRRSA-N 2 0 281.444 1.921 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167732873 899528359 /nfs/dbraw/zinc/52/83/59/899528359.db2.gz PZXDJHQRUXONRE-UHFFFAOYSA-N 2 0 297.443 1.017 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)c1ccccc1C[NH+](C)C ZINC001176948008 914395478 /nfs/dbraw/zinc/39/54/78/914395478.db2.gz CAQADYJEYJTUSX-UHFFFAOYSA-N 2 0 275.396 1.644 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176992697 914421554 /nfs/dbraw/zinc/42/15/54/914421554.db2.gz XVAJEFKCLFYAOR-OAHLLOKOSA-N 2 0 281.444 1.779 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]cnc2C)[C@H]1C ZINC000994298429 914514647 /nfs/dbraw/zinc/51/46/47/914514647.db2.gz NDPWOELYIBULDC-ZIAGYGMSSA-N 2 0 288.395 1.253 20 30 CDEDRP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H]1CC ZINC001087725766 905793930 /nfs/dbraw/zinc/79/39/30/905793930.db2.gz CKXWCTYJCZWRNS-HRCADAONSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001002803827 921241789 /nfs/dbraw/zinc/24/17/89/921241789.db2.gz VWLGSQGEIYQLQB-GDBMZVCRSA-N 2 0 289.423 1.075 20 30 CDEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC001356595762 906815291 /nfs/dbraw/zinc/81/52/91/906815291.db2.gz LPLIDIVKTBJREY-AWEZNQCLSA-N 2 0 284.762 1.667 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC000989393327 908785203 /nfs/dbraw/zinc/78/52/03/908785203.db2.gz ZNODSINLXNKRAC-TZMCWYRMSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001101025151 909234437 /nfs/dbraw/zinc/23/44/37/909234437.db2.gz XLOWMSIQNBNDQJ-UHFFFAOYSA-N 2 0 293.455 1.923 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001088791807 909442760 /nfs/dbraw/zinc/44/27/60/909442760.db2.gz DDOGUNGOGOXPRE-CABCVRRESA-N 2 0 291.439 1.463 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001036896496 910652759 /nfs/dbraw/zinc/65/27/59/910652759.db2.gz PJBSKBSQVPAISP-HOTGVXAUSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127066280 911263372 /nfs/dbraw/zinc/26/33/72/911263372.db2.gz KZNOJIOXXACOEC-LSDHHAIUSA-N 2 0 281.444 1.920 20 30 CDEDRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@@H](C)CCCC#N)O1 ZINC001172485128 911687349 /nfs/dbraw/zinc/68/73/49/911687349.db2.gz MEOLVJXLRUVAKR-DGAVXFQQSA-N 2 0 269.389 1.383 20 30 CDEDRP N#Cc1ccc([C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000158052107 911708829 /nfs/dbraw/zinc/70/88/29/911708829.db2.gz LLPOKDVUORUJCR-GVDBMIGSSA-N 2 0 285.391 1.808 20 30 CDEDRP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033070217 921693206 /nfs/dbraw/zinc/69/32/06/921693206.db2.gz PEPKJVKGDGLVTE-JKSUJKDBSA-N 2 0 293.455 1.968 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178360925 915394774 /nfs/dbraw/zinc/39/47/74/915394774.db2.gz SQANXFKDORMZCW-SOUVJXGZSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001178716685 915608444 /nfs/dbraw/zinc/60/84/44/915608444.db2.gz SNJJOXRYBPEAHE-BPUTZDHNSA-N 2 0 291.439 1.483 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000303890888 935046818 /nfs/dbraw/zinc/04/68/18/935046818.db2.gz MURFBIQCBSGCAW-AWEZNQCLSA-N 2 0 266.433 1.977 20 30 CDEDRP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001054152667 936430465 /nfs/dbraw/zinc/43/04/65/936430465.db2.gz FYJDZENIKPKGDI-WBVHZDCISA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000995921742 918182896 /nfs/dbraw/zinc/18/28/96/918182896.db2.gz BLZDKAFUDXZHNR-KBPBESRZSA-N 2 0 281.444 1.585 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]([N@@H+](C)C(C)C)C1 ZINC001183044291 918270121 /nfs/dbraw/zinc/27/01/21/918270121.db2.gz GRQUVMZFFNJFPX-HNNXBMFYSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183267795 918419575 /nfs/dbraw/zinc/41/95/75/918419575.db2.gz NFWFWRKQZSDSQE-CABCVRRESA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001183760353 918659035 /nfs/dbraw/zinc/65/90/35/918659035.db2.gz VORSWRRHLLMTID-CYBMUJFWSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001001008228 936545925 /nfs/dbraw/zinc/54/59/25/936545925.db2.gz MRGDYOHWCKOFLP-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001185052416 919379104 /nfs/dbraw/zinc/37/91/04/919379104.db2.gz MZNAYHIWRJDHIP-LSDHHAIUSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001052255290 936579897 /nfs/dbraw/zinc/57/98/97/936579897.db2.gz YXRHLQIFUWHAFQ-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185213204 919482629 /nfs/dbraw/zinc/48/26/29/919482629.db2.gz ITCRWTLWEPHEOI-CYBMUJFWSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052527028 936583918 /nfs/dbraw/zinc/58/39/18/936583918.db2.gz POFRIRZVGBIKFX-HNNXBMFYSA-N 2 0 291.439 1.772 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001185347703 919537724 /nfs/dbraw/zinc/53/77/24/919537724.db2.gz KNBXHTFGVXAEQW-CVEARBPZSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001185763269 919742793 /nfs/dbraw/zinc/74/27/93/919742793.db2.gz RQDWHWFEGRQQNI-HZPDHXFCSA-N 2 0 293.455 1.424 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001185762113 919743307 /nfs/dbraw/zinc/74/33/07/919743307.db2.gz MFOICRVKVKALQL-HUUCEWRRSA-N 2 0 279.428 1.034 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000999513460 919763979 /nfs/dbraw/zinc/76/39/79/919763979.db2.gz SOMOUGGFAALXCE-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001032730944 919859838 /nfs/dbraw/zinc/85/98/38/919859838.db2.gz UXWGHABBLXHSSD-ILXRZTDVSA-N 2 0 277.412 1.189 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187232140 920414702 /nfs/dbraw/zinc/41/47/02/920414702.db2.gz WDEOFJPRTUGDAD-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001486120420 920731084 /nfs/dbraw/zinc/73/10/84/920731084.db2.gz ATLIVMYQSISMBU-CHWSQXEVSA-N 2 0 287.835 1.660 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001188158720 920906413 /nfs/dbraw/zinc/90/64/13/920906413.db2.gz WHFZRTLKKCLIST-CQSZACIVSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001071920355 936694772 /nfs/dbraw/zinc/69/47/72/936694772.db2.gz PXPXCHQJTZCIRX-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001072859142 936711423 /nfs/dbraw/zinc/71/14/23/936711423.db2.gz XNDLEYQMYBGNHA-OAHLLOKOSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CC[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033152672 921936861 /nfs/dbraw/zinc/93/68/61/921936861.db2.gz QUMRGZNMMCNSQY-HOTGVXAUSA-N 2 0 293.455 1.968 20 30 CDEDRP C#CC[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000775400605 922090182 /nfs/dbraw/zinc/09/01/82/922090182.db2.gz QEBDAIWYIOPJLV-SJORKVTESA-N 2 0 272.392 1.797 20 30 CDEDRP C#CCN1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033510294 922245392 /nfs/dbraw/zinc/24/53/92/922245392.db2.gz UPLOWACOSRJPAK-QGZVFWFLSA-N 2 0 299.418 1.528 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001190900479 922258230 /nfs/dbraw/zinc/25/82/30/922258230.db2.gz QDSQALDPZWRYCL-HUUCEWRRSA-N 2 0 281.444 1.826 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033831829 922386996 /nfs/dbraw/zinc/38/69/96/922386996.db2.gz ZDNLVPFMVWEMHC-HOTGVXAUSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034385765 922623219 /nfs/dbraw/zinc/62/32/19/922623219.db2.gz NSYHOSZHFHEFIL-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]cn2)CC1 ZINC001034743885 922790532 /nfs/dbraw/zinc/79/05/32/922790532.db2.gz FEJKEHBGQZMTGR-JOCQHMNTSA-N 2 0 276.384 1.545 20 30 CDEDRP N#Cc1ccc([C@@H](O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000923326708 923746300 /nfs/dbraw/zinc/74/63/00/923746300.db2.gz IIRZXHWPLQVCQR-INIZCTEOSA-N 2 0 285.391 1.667 20 30 CDEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001193601022 923832482 /nfs/dbraw/zinc/83/24/82/923832482.db2.gz QGSORBHVZNOEDX-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001080053667 924474389 /nfs/dbraw/zinc/47/43/89/924474389.db2.gz FGMCZGKWENLTMC-CZUORRHYSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CCC[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197049073 925035629 /nfs/dbraw/zinc/03/56/29/925035629.db2.gz NGGKDLACEXFJBS-UHFFFAOYSA-N 2 0 253.390 1.049 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001084832237 925448876 /nfs/dbraw/zinc/44/88/76/925448876.db2.gz WAZRXNSRSVYMES-HUUCEWRRSA-N 2 0 277.412 1.191 20 30 CDEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294075 937050838 /nfs/dbraw/zinc/05/08/38/937050838.db2.gz HIOZTNGYRFZFIK-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=CC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102601101 937067804 /nfs/dbraw/zinc/06/78/04/937067804.db2.gz LFVIJASKHXVGPB-ZIAGYGMSSA-N 2 0 267.417 1.197 20 30 CDEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001085695151 926288040 /nfs/dbraw/zinc/28/80/40/926288040.db2.gz BCCPYKJSWAIGKZ-HNNXBMFYSA-N 2 0 291.439 1.724 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001085695152 926288708 /nfs/dbraw/zinc/28/87/08/926288708.db2.gz BCCPYKJSWAIGKZ-OAHLLOKOSA-N 2 0 291.439 1.724 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001202225201 926501392 /nfs/dbraw/zinc/50/13/92/926501392.db2.gz UCEYUXDHYPYLGP-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001086119728 926723214 /nfs/dbraw/zinc/72/32/14/926723214.db2.gz YNYRSXXUJMWXBB-XUWVNRHRSA-N 2 0 289.423 1.121 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001086122644 926726096 /nfs/dbraw/zinc/72/60/96/926726096.db2.gz SKENYTKSZQCNJF-QLFBSQMISA-N 2 0 279.428 1.531 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103083680 937121254 /nfs/dbraw/zinc/12/12/54/937121254.db2.gz DBLWSGNGUUYDEU-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001006297737 927000398 /nfs/dbraw/zinc/00/03/98/927000398.db2.gz GOLFKJRMPKXGAN-UHFFFAOYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001103444822 937142120 /nfs/dbraw/zinc/14/21/20/937142120.db2.gz KYZBWCYPEXVQJU-KFWWJZLASA-N 2 0 281.444 1.587 20 30 CDEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=[NH2+])c1ccc(C(N)=O)cc1)C2 ZINC001169108946 927756627 /nfs/dbraw/zinc/75/66/27/927756627.db2.gz WUQQGBVJZRTLKL-ZSOGYDGISA-N 2 0 286.379 1.116 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001202495938 928609043 /nfs/dbraw/zinc/60/90/43/928609043.db2.gz LAYYFKQEZRUWMN-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001112007875 937262413 /nfs/dbraw/zinc/26/24/13/937262413.db2.gz HYIXLFZNJKROKK-HOCLYGCPSA-N 2 0 279.428 1.483 20 30 CDEDRP CC#CC[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)CCC ZINC001156517402 928731070 /nfs/dbraw/zinc/73/10/70/928731070.db2.gz YIBVWYHORPPHNH-OAHLLOKOSA-N 2 0 281.444 1.568 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115292396 937344653 /nfs/dbraw/zinc/34/46/53/937344653.db2.gz NHDBZYWFBGJELL-QLPKVWCKSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608248 929815112 /nfs/dbraw/zinc/81/51/12/929815112.db2.gz SSBICLTZABONAB-KGLIPLIRSA-N 2 0 281.444 1.920 20 30 CDEDRP CC(C)[C@H](O)CCON=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000882981297 930116607 /nfs/dbraw/zinc/11/66/07/930116607.db2.gz HJAZCIQBDBKRAN-OAHLLOKOSA-N 2 0 293.411 1.792 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2CC)CC1 ZINC000883343402 930185637 /nfs/dbraw/zinc/18/56/37/930185637.db2.gz LTQATBOSWAIQCM-CQSZACIVSA-N 2 0 280.416 1.030 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860861 930479097 /nfs/dbraw/zinc/47/90/97/930479097.db2.gz IKFKJTKTIRKSFP-ZIAGYGMSSA-N 2 0 267.417 1.224 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313507 937438485 /nfs/dbraw/zinc/43/84/85/937438485.db2.gz UBWXMSRCLPBVLT-HZPDHXFCSA-N 2 0 293.455 1.709 20 30 CDEDRP CCCc1cc(C#N)c(N[C@@H]([NH3+])CCC[NH3+])nc1Cl ZINC001159786548 930851857 /nfs/dbraw/zinc/85/18/57/930851857.db2.gz DFACCKGWARPGCZ-LLVKDONJSA-N 2 0 281.791 1.995 20 30 CDEDRP C=CCOCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134659 931025931 /nfs/dbraw/zinc/02/59/31/931025931.db2.gz NMPVFINEHMNKFP-AWEZNQCLSA-N 2 0 261.369 1.795 20 30 CDEDRP CC(C)(CNC(=[NH2+])NCC1CCC1)[NH+]1CCCCC1 ZINC000104155083 931321013 /nfs/dbraw/zinc/32/10/13/931321013.db2.gz XJJSENOOQKMBKZ-UHFFFAOYSA-N 2 0 266.433 1.955 20 30 CDEDRP C[C@H](CNC(=[NH2+])N1CCSCC1)[NH+]1CCC(C)CC1 ZINC000104181381 931324501 /nfs/dbraw/zinc/32/45/01/931324501.db2.gz XSNOCPUSOWRNNA-CYBMUJFWSA-N 2 0 284.473 1.470 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171176363 931807527 /nfs/dbraw/zinc/80/75/27/931807527.db2.gz YKXIGFYEUYJXGU-LSDHHAIUSA-N 2 0 279.428 1.226 20 30 CDEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@]1(CN)CN2CCC1CC2 ZINC001171191943 931847195 /nfs/dbraw/zinc/84/71/95/931847195.db2.gz IULWHZBJCOOEJL-KBXCAEBGSA-N 2 0 298.434 1.502 20 30 CDEDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(C#N)n1)C2 ZINC001275605488 931904390 /nfs/dbraw/zinc/90/43/90/931904390.db2.gz LPQFXZIRFCHRCK-PBHICJAKSA-N 2 0 299.422 1.021 20 30 CDEDRP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146396915 932244114 /nfs/dbraw/zinc/24/41/14/932244114.db2.gz BTLRIMONXLEUDA-CABCVRRESA-N 2 0 297.443 1.158 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147835537 932616898 /nfs/dbraw/zinc/61/68/98/932616898.db2.gz UBPJNSVHGICQAT-HUUCEWRRSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120004479 937772978 /nfs/dbraw/zinc/77/29/78/937772978.db2.gz ANBAQFWWUXUHHE-OAHLLOKOSA-N 2 0 291.439 1.370 20 30 CDEDRP C#CC[NH+]1CCC(N(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001006444602 934502165 /nfs/dbraw/zinc/50/21/65/934502165.db2.gz WIGGDRJBLNIMBG-GJZGRUSLSA-N 2 0 291.439 1.415 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CCC)C2 ZINC001111303974 934540405 /nfs/dbraw/zinc/54/04/05/934540405.db2.gz JRDKZDFPKIZGBV-KFWWJZLASA-N 2 0 279.428 1.626 20 30 CDEDRP CC[C@@H](C)NC(=[NH2+])NCCC[N@@H+]1CCCC[C@@H]1C ZINC000303256574 935023497 /nfs/dbraw/zinc/02/34/97/935023497.db2.gz IEWAWVOOYRRTSS-OLZOCXBDSA-N 2 0 254.422 1.954 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001020204141 935731996 /nfs/dbraw/zinc/73/19/96/935731996.db2.gz WOPMZJPOVFSBHI-JOCQHMNTSA-N 2 0 293.436 1.846 20 30 CDEDRP C#CC[NH2+]CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001121997325 937897576 /nfs/dbraw/zinc/89/75/76/937897576.db2.gz VFZVGUILJRWOQQ-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156390902 938362252 /nfs/dbraw/zinc/36/22/52/938362252.db2.gz XPNVWRRLVZLOGP-OAHLLOKOSA-N 2 0 299.459 1.357 20 30 CDEDRP N#CC1(c2ccc(NC(=[NH2+])NCCCC[NH3+])nc2)CCC1 ZINC001157096894 938454079 /nfs/dbraw/zinc/45/40/79/938454079.db2.gz ORMXJPZHQDVAEV-UHFFFAOYSA-N 2 0 286.383 1.702 20 30 CDEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158744865 938659261 /nfs/dbraw/zinc/65/92/61/938659261.db2.gz URHVXPQXNLOWJP-OAHLLOKOSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CC[N@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161029007 938859904 /nfs/dbraw/zinc/85/99/04/938859904.db2.gz JTYGNJKVVJZXLT-UHFFFAOYSA-N 2 0 279.428 1.653 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161042125 938863648 /nfs/dbraw/zinc/86/36/48/938863648.db2.gz ORIAFCDIAKEWHR-CABCVRRESA-N 2 0 281.444 1.921 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166627394 939620860 /nfs/dbraw/zinc/62/08/60/939620860.db2.gz UUFOFVTZXFENNR-LSDHHAIUSA-N 2 0 281.444 1.921 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001166750918 939635704 /nfs/dbraw/zinc/63/57/04/939635704.db2.gz MRGWUSQPOJBJHM-UHFFFAOYSA-N 2 0 267.417 1.084 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001167044244 939675476 /nfs/dbraw/zinc/67/54/76/939675476.db2.gz JJUZKJLZCWPMOH-OAHLLOKOSA-N 2 0 293.455 1.472 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203633049 939699086 /nfs/dbraw/zinc/69/90/86/939699086.db2.gz WASJQYJBBBKSSY-HUUCEWRRSA-N 2 0 291.439 1.369 20 30 CDEDRP N#CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206166464 939989775 /nfs/dbraw/zinc/98/97/75/939989775.db2.gz SNWZCNQBSWXULE-HUUCEWRRSA-N 2 0 277.343 1.850 20 30 CDEDRP N#Cc1ccn2ncc(CN3CC[C@@H]([NH3+])[C@H](F)CC3)c2c1 ZINC001206213458 939999032 /nfs/dbraw/zinc/99/90/32/939999032.db2.gz VIHVASUWSVHTLW-ZIAGYGMSSA-N 2 0 287.342 1.467 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001208331611 940321042 /nfs/dbraw/zinc/32/10/42/940321042.db2.gz VDIUCUYNZWQJDC-AWEZNQCLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209276967 940455588 /nfs/dbraw/zinc/45/55/88/940455588.db2.gz FKNHCGHZKUXRJQ-CYBMUJFWSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001209668719 940624412 /nfs/dbraw/zinc/62/44/12/940624412.db2.gz HMMJLKORBHLMOQ-KGLIPLIRSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210040796 940658473 /nfs/dbraw/zinc/65/84/73/940658473.db2.gz NDECDFMIJRWWRD-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211072944 940728242 /nfs/dbraw/zinc/72/82/42/940728242.db2.gz XKYRADPHORJEOO-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215396764 940883392 /nfs/dbraw/zinc/88/33/92/940883392.db2.gz AIUSCFHQZIGONI-FXUDXRNXSA-N 2 0 291.439 1.177 20 30 CDEDRP CC(C)(C)n1cc(C#N)cc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218559359 941236569 /nfs/dbraw/zinc/23/65/69/941236569.db2.gz JAHMNRFEEKINSJ-LLVKDONJSA-N 2 0 277.372 1.119 20 30 CDEDRP N#Cc1oc2ccccc2c1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218627637 941247680 /nfs/dbraw/zinc/24/76/80/941247680.db2.gz HDEURMFBLGTHLP-NSHDSACASA-N 2 0 286.335 1.699 20 30 CDEDRP N#Cc1ccc(F)c(F)c1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219314500 941329594 /nfs/dbraw/zinc/32/95/94/941329594.db2.gz KOCPJQPZMJZUGB-JTQLQIEISA-N 2 0 282.294 1.231 20 30 CDEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C#N)CC1 ZINC001220096559 941412234 /nfs/dbraw/zinc/41/22/34/941412234.db2.gz BWYLEVOKMCAORS-KKUMJFAQSA-N 2 0 294.443 1.681 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001224261533 941735976 /nfs/dbraw/zinc/73/59/76/941735976.db2.gz VCCQKINTMBWGGC-UHFFFAOYSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001224426677 941753511 /nfs/dbraw/zinc/75/35/11/941753511.db2.gz SCTCXUWGSJAWNR-OAHLLOKOSA-N 2 0 279.428 1.034 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001224536658 941766353 /nfs/dbraw/zinc/76/63/53/941766353.db2.gz MOUJVCFLDJUTED-HNNXBMFYSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001225582702 941884942 /nfs/dbraw/zinc/88/49/42/941884942.db2.gz QJOZBBWELRUALR-UHFFFAOYSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001230141302 942588228 /nfs/dbraw/zinc/58/82/28/942588228.db2.gz FGOZNZWHAPFYOY-RRFJBIMHSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001235301999 944113222 /nfs/dbraw/zinc/11/32/22/944113222.db2.gz DDYBWQUOWINHCF-HZPDHXFCSA-N 2 0 293.455 1.968 20 30 CDEDRP N#CCC[N@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001277938685 944130422 /nfs/dbraw/zinc/13/04/22/944130422.db2.gz DKDMPGZMGKSQKL-IYBDPMFKSA-N 2 0 287.411 1.441 20 30 CDEDRP N#Cc1cc(Br)ccc1CN(CC[NH3+])CC[NH3+] ZINC001235877362 944305159 /nfs/dbraw/zinc/30/51/59/944305159.db2.gz JIHCJKCKSIBUHH-UHFFFAOYSA-N 2 0 297.200 1.040 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001265458122 944393785 /nfs/dbraw/zinc/39/37/85/944393785.db2.gz LAKWKFGJKBTHFG-AWEZNQCLSA-N 2 0 265.401 1.239 20 30 CDEDRP C=CC[NH2+]CCN1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237274850 944712599 /nfs/dbraw/zinc/71/25/99/944712599.db2.gz GAMKWROCYXQEJX-UHFFFAOYSA-N 2 0 285.435 1.899 20 30 CDEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H]1CC[N@@H+](C)C1 ZINC001255425233 947873681 /nfs/dbraw/zinc/87/36/81/947873681.db2.gz BGZKGHYSJZMGDI-OAHLLOKOSA-N 2 0 260.385 1.357 20 30 CDEDRP C[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1ccc(C#N)cc1 ZINC001246090455 947939672 /nfs/dbraw/zinc/93/96/72/947939672.db2.gz XPXPABYQSVDFFU-IUODEOHRSA-N 2 0 270.380 1.303 20 30 CDEDRP C=CCOCc1nn(C2CC[NH+](C)CC2)c2c1C[NH2+]C2 ZINC001256203103 948233727 /nfs/dbraw/zinc/23/37/27/948233727.db2.gz CUHUPVYZIPMHCA-UHFFFAOYSA-N 2 0 276.384 1.456 20 30 CDEDRP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246541376 948247078 /nfs/dbraw/zinc/24/70/78/948247078.db2.gz HCBUCXOOIXFWLN-RHSMWYFYSA-N 2 0 287.407 1.665 20 30 CDEDRP C=CCN1C(=O)CCC12CC[NH+]([C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC001246707733 948413185 /nfs/dbraw/zinc/41/31/85/948413185.db2.gz CASPONAOGCFFPH-HUUCEWRRSA-N 2 0 291.439 1.770 20 30 CDEDRP N#Cc1ccnc(N2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC001246830244 948463554 /nfs/dbraw/zinc/46/35/54/948463554.db2.gz AMOLPCNYJRDFSV-XYPWUTKMSA-N 2 0 297.406 1.358 20 30 CDEDRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+]C2CCC(C#N)CC2)O1 ZINC001256958579 948464003 /nfs/dbraw/zinc/46/40/03/948464003.db2.gz IKZHSOODAQCIKJ-CLACGNGHSA-N 2 0 281.400 1.383 20 30 CDEDRP N#Cc1ccc(-c2noc(C[C@@H]([NH3+])CCCC[NH3+])n2)nc1 ZINC001248222074 948975765 /nfs/dbraw/zinc/97/57/65/948975765.db2.gz BDPKEYIUULKYOJ-NSHDSACASA-N 2 0 286.339 1.002 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001480110207 971581571 /nfs/dbraw/zinc/58/15/71/971581571.db2.gz DQSDOHWMFSUTRM-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCOC[C@@H](O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001252473402 951329413 /nfs/dbraw/zinc/32/94/13/951329413.db2.gz KNBILQXHYDPLSM-HNNXBMFYSA-N 2 0 282.428 1.358 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001480597748 971800141 /nfs/dbraw/zinc/80/01/41/971800141.db2.gz UHTZBYTZKGKGLW-CYBMUJFWSA-N 2 0 287.835 1.709 20 30 CDEDRP C#CC1([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254051733 952174650 /nfs/dbraw/zinc/17/46/50/952174650.db2.gz XSWNWZHATBNSTP-UHFFFAOYSA-N 2 0 284.403 1.769 20 30 CDEDRP C[NH+](C)CC#CC[NH2+]CCC(=O)Nc1ccccc1 ZINC001338489542 961833992 /nfs/dbraw/zinc/83/39/92/961833992.db2.gz VBHFSVFZNMYNQK-UHFFFAOYSA-N 2 0 259.353 1.170 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC001340185667 962800926 /nfs/dbraw/zinc/80/09/26/962800926.db2.gz VYHKHWHJYAWGJV-STQMWFEESA-N 2 0 253.390 1.126 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C12CC(C1)C[NH2+]2)C(C)C ZINC001341555479 963461727 /nfs/dbraw/zinc/46/17/27/963461727.db2.gz KEXSNQWCWIHLKQ-CKDBGZEDSA-N 2 0 291.439 1.553 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001341659757 963500952 /nfs/dbraw/zinc/50/09/52/963500952.db2.gz SGKYYYXFFJTWLT-LSDHHAIUSA-N 2 0 279.428 1.757 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC001343879652 964167406 /nfs/dbraw/zinc/16/74/06/964167406.db2.gz DTRXGOYMKPOYGK-CQSZACIVSA-N 2 0 267.417 1.470 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)CCn1ccnc1 ZINC001448698337 967214255 /nfs/dbraw/zinc/21/42/55/967214255.db2.gz IYXFXINJXMQOKZ-GFCCVEGCSA-N 2 0 284.791 1.462 20 30 CDEDRP CC#CCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849015146 969405728 /nfs/dbraw/zinc/40/57/28/969405728.db2.gz UQFZMLOFXXXAIX-UHFFFAOYSA-N 2 0 284.407 1.788 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001521541309 970313833 /nfs/dbraw/zinc/31/38/33/970313833.db2.gz VQPBUSMVEPPZBJ-AWEZNQCLSA-N 2 0 289.379 1.791 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001373770444 973632197 /nfs/dbraw/zinc/63/21/97/973632197.db2.gz WPVPCUBAJLTUAI-ZDUSSCGKSA-N 2 0 299.846 1.852 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001402325794 976237392 /nfs/dbraw/zinc/23/73/92/976237392.db2.gz FXRYDZMZQLODEE-QWHCGFSZSA-N 2 0 285.819 1.318 20 30 CDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001574852437 1171026552 /nfs/dbraw/zinc/02/65/52/1171026552.db2.gz SNOHMXFKEQZPOS-STQMWFEESA-N 2 0 285.819 1.589 20 30 CDEDRP N#C[C@H]1CC[C@@H]([NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000590162577 342523785 /nfs/dbraw/zinc/52/37/85/342523785.db2.gz TVGGUMJMGBKTLM-DZGCQCFKSA-N 2 0 256.353 1.896 20 30 CDEDRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598596451 343841000 /nfs/dbraw/zinc/84/10/00/343841000.db2.gz RQPGVSJJRKFFIB-KGLIPLIRSA-N 2 0 267.417 1.561 20 30 CDEDRP C[NH+]1CCC(CC[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598720780 343883623 /nfs/dbraw/zinc/88/36/23/343883623.db2.gz QSJZRBXJEXIISA-AWEZNQCLSA-N 2 0 267.417 1.609 20 30 CDEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000447561959 362457305 /nfs/dbraw/zinc/45/73/05/362457305.db2.gz JZJIXAZETRVMJO-RBSFLKMASA-N 2 0 292.427 1.246 20 30 CDEDRP CC[C@H](C)NC(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1 ZINC000264102018 362968226 /nfs/dbraw/zinc/96/82/26/362968226.db2.gz MYAUTIQAIVYJEZ-ZDUSSCGKSA-N 2 0 292.427 1.830 20 30 CDEDRP CC[NH+](CC)CCOc1ccc(CNC(NC)=[NH+]C)cc1 ZINC000264103165 362967854 /nfs/dbraw/zinc/96/78/54/362967854.db2.gz OPLVTBWTQXMHRM-UHFFFAOYSA-N 2 0 292.427 1.702 20 30 CDEDRP C[C@@H](CNC(=[NH2+])Nc1ccccn1)C[NH+]1CCCC1 ZINC000170906939 365159886 /nfs/dbraw/zinc/15/98/86/365159886.db2.gz PYSOYBXWTCZODB-LBPRGKRZSA-N 2 0 261.373 1.540 20 30 CDEDRP CC(C)[C@H](CNC(=[NH2+])Nc1ccccn1)[NH+]1CCCC1 ZINC000170910364 365161130 /nfs/dbraw/zinc/16/11/30/365161130.db2.gz WFBBVKLDIZSHPE-ZDUSSCGKSA-N 2 0 275.400 1.929 20 30 CDEDRP CC[N@H+](CCNC(=[NH2+])NCc1ccccc1OC)C1CC1 ZINC000170914456 365164206 /nfs/dbraw/zinc/16/42/06/365164206.db2.gz BBXDZZUJHVBURU-UHFFFAOYSA-N 2 0 290.411 1.584 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000998762442 781962219 /nfs/dbraw/zinc/96/22/19/781962219.db2.gz FLBCQINFHHYMFH-YMAMQOFZSA-N 2 0 277.412 1.071 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415983213 375509705 /nfs/dbraw/zinc/50/97/05/375509705.db2.gz ZCOBHUPRQXBCEE-UHFFFAOYSA-N 2 0 288.395 1.917 20 30 CDEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000350223753 391605809 /nfs/dbraw/zinc/60/58/09/391605809.db2.gz SRZGALXNJKEAGW-HUUCEWRRSA-N 2 0 297.443 1.110 20 30 CDEDRP C[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)CN1CC[NH+](C)CC1 ZINC000192822788 392533827 /nfs/dbraw/zinc/53/38/27/392533827.db2.gz VGSVROKNDCQKRF-OWCLPIDISA-N 2 0 278.444 1.542 20 30 CDEDRP Cc1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1C#N ZINC000335833465 151058585 /nfs/dbraw/zinc/05/85/85/151058585.db2.gz DTNHXJOXUDWMGU-IYBDPMFKSA-N 2 0 255.365 1.860 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659450374 413837303 /nfs/dbraw/zinc/83/73/03/413837303.db2.gz NJVYWTUNLNDFIM-UHFFFAOYSA-N 2 0 282.432 1.406 20 30 CDEDRP CC[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000044518444 175191228 /nfs/dbraw/zinc/19/12/28/175191228.db2.gz PXEVBOOZQXZEFL-KRWDZBQOSA-N 2 0 287.407 1.913 20 30 CDEDRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000423179599 278345509 /nfs/dbraw/zinc/34/55/09/278345509.db2.gz MQVIQHPOMWIUDD-CQSZACIVSA-N 2 0 272.396 1.504 20 30 CDEDRP CC[C@H](C)NC(=[NH2+])NCC[C@H](C)[NH+]1CCCCC1 ZINC000305836827 782079521 /nfs/dbraw/zinc/07/95/21/782079521.db2.gz XEQQQHUFSVGOFJ-STQMWFEESA-N 2 0 254.422 1.954 20 30 CDEDRP C[NH+](C)C1(CNC(=[NH2+])N2CCSCC2)CCCC1 ZINC000262282592 330003852 /nfs/dbraw/zinc/00/38/52/330003852.db2.gz LYYVDCHCXCAYKP-UHFFFAOYSA-N 2 0 270.446 1.224 20 30 CDEDRP C#CCNC(NC[C@@H](C1CCCCC1)[NH+](C)C)=[NH+]C ZINC000262636077 330023674 /nfs/dbraw/zinc/02/36/74/330023674.db2.gz ZMHLSMOVKINOLD-AWEZNQCLSA-N 2 0 264.417 1.295 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)C(C)C ZINC000423347327 330192672 /nfs/dbraw/zinc/19/26/72/330192672.db2.gz RDBDDSCMITTXFW-VYDXJSESSA-N 2 0 291.439 1.553 20 30 CDEDRP C[NH+](C)C1(CNC(=O)[C@@H]([NH3+])CCCC#N)CCCCC1 ZINC000424084461 330222633 /nfs/dbraw/zinc/22/26/33/330222633.db2.gz YLQJAOWDNGRGHP-ZDUSSCGKSA-N 2 0 280.416 1.388 20 30 CDEDRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424144514 330289911 /nfs/dbraw/zinc/28/99/11/330289911.db2.gz LKHCUVAPOUOIRW-CABCVRRESA-N 2 0 292.427 1.198 20 30 CDEDRP N#C[C@H]1CC[C@@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000429715938 330553164 /nfs/dbraw/zinc/55/31/64/330553164.db2.gz OHUWKWLZJJMJKP-JKSUJKDBSA-N 2 0 277.412 1.723 20 30 CDEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442842842 330786415 /nfs/dbraw/zinc/78/64/15/330786415.db2.gz JAKICJOCVAFBFH-KFWWJZLASA-N 2 0 264.417 1.294 20 30 CDEDRP C#CC[NH+](C)CCCN[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000491164671 332158920 /nfs/dbraw/zinc/15/89/20/332158920.db2.gz DIPMZHPGBWSAOO-HUUCEWRRSA-N 2 0 251.418 1.261 20 30 CDEDRP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](CC)CC)C1 ZINC001111909890 1159299439 /nfs/dbraw/zinc/29/94/39/1159299439.db2.gz NDRRPCVBGYICRL-RDJZCZTQSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001026464644 1159617167 /nfs/dbraw/zinc/61/71/67/1159617167.db2.gz OXXKPQBOCKPXRN-RUXDESIVSA-N 2 0 299.846 1.850 20 30 CDEDRP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001755565557 1160219681 /nfs/dbraw/zinc/21/96/81/1160219681.db2.gz BFOVIRYZQSCGTQ-MRXNPFEDSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC[C@H]1C ZINC001017941255 782141762 /nfs/dbraw/zinc/14/17/62/782141762.db2.gz DUOPUKULBKSBKQ-OAGGEKHMSA-N 2 0 289.423 1.169 20 30 CDEDRP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132105236 1163174714 /nfs/dbraw/zinc/17/47/14/1163174714.db2.gz DDBOLQSSGBMRRF-KGLIPLIRSA-N 2 0 277.412 1.073 20 30 CDEDRP CNC(NCCCCCCC[NH+]1CCCC1)=[NH+]C ZINC000750544317 574602364 /nfs/dbraw/zinc/60/23/64/574602364.db2.gz AHQBOWDYJDWVEZ-UHFFFAOYSA-N 2 0 254.422 1.828 20 30 CDEDRP C[NH+]1CCC(C#N)(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC000731637232 575057480 /nfs/dbraw/zinc/05/74/80/575057480.db2.gz SFBGNLSCHYTDGY-UHFFFAOYSA-N 2 0 292.427 1.357 20 30 CDEDRP CCOCCO[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000774422838 575203910 /nfs/dbraw/zinc/20/39/10/575203910.db2.gz PCYOCJWDOTYRGU-UHFFFAOYSA-N 2 0 291.395 1.825 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000764612547 575926251 /nfs/dbraw/zinc/92/62/51/575926251.db2.gz NATBQPUVYAHRMM-UHFFFAOYSA-N 2 0 295.471 1.979 20 30 CDEDRP C[N@@H+]1CCCC(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)CC1 ZINC000758120968 577072712 /nfs/dbraw/zinc/07/27/12/577072712.db2.gz XDYJEAIHQTWABW-BETUJISGSA-N 2 0 263.389 1.318 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000970270458 612965469 /nfs/dbraw/zinc/96/54/69/612965469.db2.gz NILVQUYPBUMEAH-MRXNPFEDSA-N 2 0 285.391 1.186 20 30 CDEDRP C#CCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000981282939 613005096 /nfs/dbraw/zinc/00/50/96/613005096.db2.gz LHSLIMUMWMYOCG-MRXNPFEDSA-N 2 0 291.439 1.418 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000948069791 613131223 /nfs/dbraw/zinc/13/12/23/613131223.db2.gz KNDAWOVYUHYVNW-GDBMZVCRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000972731537 613283655 /nfs/dbraw/zinc/28/36/55/613283655.db2.gz GGVLEFOVNKLPIO-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000972610960 613289000 /nfs/dbraw/zinc/28/90/00/613289000.db2.gz XVXYIWYIUDVKLX-INIZCTEOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[N@H+]1CCCN(C(=O)C[C@H](C)n2ccnc2)CC1 ZINC000982051437 613309100 /nfs/dbraw/zinc/30/91/00/613309100.db2.gz MZYHYOOUHFEERP-HNNXBMFYSA-N 2 0 290.411 1.945 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000968966757 613384638 /nfs/dbraw/zinc/38/46/38/613384638.db2.gz ARDOADPXVSHCFI-KGLIPLIRSA-N 2 0 299.846 1.804 20 30 CDEDRP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCCCN2C)C(C)(C)C1 ZINC000974732569 613555020 /nfs/dbraw/zinc/55/50/20/613555020.db2.gz QOTJDRUWWHBGCY-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000981152311 613695721 /nfs/dbraw/zinc/69/57/21/613695721.db2.gz HHAFJWNUCALFJL-JKSUJKDBSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[N@@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977480508 613826447 /nfs/dbraw/zinc/82/64/47/613826447.db2.gz WBVHJSGTIJKDDG-ZDUSSCGKSA-N 2 0 277.412 1.095 20 30 CDEDRP C[NH+](C)CC#CCNc1cc[nH+]cc1C(F)(F)F ZINC000894876182 619114193 /nfs/dbraw/zinc/11/41/93/619114193.db2.gz KTUIVYXMPVEVHQ-UHFFFAOYSA-N 2 0 257.259 1.499 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000913521469 630527321 /nfs/dbraw/zinc/52/73/21/630527321.db2.gz ALAXTYGWISRWAX-MRXNPFEDSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429159 1162472107 /nfs/dbraw/zinc/47/21/07/1162472107.db2.gz DBQKQCKIZTVQRW-OAHLLOKOSA-N 2 0 279.428 1.675 20 30 CDEDRP N#CCC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397628115 1158594593 /nfs/dbraw/zinc/59/45/93/1158594593.db2.gz ZBCFOAVFCLXVHF-UHFFFAOYSA-N 2 0 273.380 1.517 20 30 CDEDRP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001024365756 1159400194 /nfs/dbraw/zinc/40/01/94/1159400194.db2.gz HHCKXELYVJWKLI-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001008160369 1159599567 /nfs/dbraw/zinc/59/95/67/1159599567.db2.gz ACRXSYAJUUFSHT-HNNXBMFYSA-N 2 0 291.439 1.465 20 30 CDEDRP CC[N@@H+]1CC[C@H](CNC(N[C@@H]2C[C@@H](OC)C2(C)C)=[NH+]C)C1 ZINC000261659846 1159906716 /nfs/dbraw/zinc/90/67/16/1159906716.db2.gz FNJDAMKPRZBREY-MGPQQGTHSA-N 2 0 296.459 1.307 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086133206 1161961208 /nfs/dbraw/zinc/96/12/08/1161961208.db2.gz PAEPYDIDYNERDS-OWCLPIDISA-N 2 0 293.455 1.777 20 30 CDEDRP C[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCC[C@@H]1C[NH3+] ZINC001205995565 1161992438 /nfs/dbraw/zinc/99/24/38/1161992438.db2.gz PDLZHSVSXVISDR-GXTWGEPZSA-N 2 0 260.385 1.704 20 30 CDEDRP C=CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132521869 1163352221 /nfs/dbraw/zinc/35/22/21/1163352221.db2.gz IHOQWRABFJASHI-ZIAGYGMSSA-N 2 0 267.417 1.482 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001133064354 1163555829 /nfs/dbraw/zinc/55/58/29/1163555829.db2.gz MGPLSIQBKPONTF-HUUCEWRRSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H]([NH3+])C(C)(C)C ZINC001573311116 1170653711 /nfs/dbraw/zinc/65/37/11/1170653711.db2.gz XQOFLCVEFJENDE-LBPRGKRZSA-N 2 0 255.406 1.326 20 30 CDEDRP C=CC1(CC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)C[NH2+]C1 ZINC001574880773 1171036036 /nfs/dbraw/zinc/03/60/36/1171036036.db2.gz RXNGQYDPDNAPTG-KGLIPLIRSA-N 2 0 279.428 1.389 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001660851384 1172290908 /nfs/dbraw/zinc/29/09/08/1172290908.db2.gz OUJYLHPXKSSFAF-HNNXBMFYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001690684139 1175544143 /nfs/dbraw/zinc/54/41/43/1175544143.db2.gz XIUIESCTJUSYSF-AWEZNQCLSA-N 2 0 267.417 1.485 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001698729792 1175906447 /nfs/dbraw/zinc/90/64/47/1175906447.db2.gz UFIYNNSIVJLCKP-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCCC1 ZINC001698797081 1175938314 /nfs/dbraw/zinc/93/83/14/1175938314.db2.gz DKHWYKCHEKVDTM-CQSZACIVSA-N 2 0 279.428 1.369 20 30 CDEDRP C#CCC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001713868725 1178803803 /nfs/dbraw/zinc/80/38/03/1178803803.db2.gz PBYGRLJVUDKUJQ-CABCVRRESA-N 2 0 279.428 1.080 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC001717897198 1180919628 /nfs/dbraw/zinc/91/96/28/1180919628.db2.gz GPPJGZRTJZFJDP-ZIAGYGMSSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001753203519 1182237592 /nfs/dbraw/zinc/23/75/92/1182237592.db2.gz ZANQOAWKTPKIPX-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001731545980 1182444537 /nfs/dbraw/zinc/44/45/37/1182444537.db2.gz NALBGUXJIGAWNO-BZUAXINKSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[N@@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001752283602 1184847531 /nfs/dbraw/zinc/84/75/31/1184847531.db2.gz VORRXULABCYQKZ-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001752424437 1184861120 /nfs/dbraw/zinc/86/11/20/1184861120.db2.gz MMXGPMAOGHMRDW-CQSZACIVSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001752797600 1184916678 /nfs/dbraw/zinc/91/66/78/1184916678.db2.gz JRJJCUBYXLZFHZ-HZPDHXFCSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001752812184 1184920426 /nfs/dbraw/zinc/92/04/26/1184920426.db2.gz VHNHTFXIHIMNRN-HNNXBMFYSA-N 2 0 281.444 1.733 20 30 CDEDRP C#CCC[N@H+](CC)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001753091157 1185053258 /nfs/dbraw/zinc/05/32/58/1185053258.db2.gz KIYBJBPCEVPFIB-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001753105450 1185063612 /nfs/dbraw/zinc/06/36/12/1185063612.db2.gz CWRIFZCQGUHXBE-KBPBESRZSA-N 2 0 285.407 1.433 20 30 CDEDRP C#CC[NH2+]CCN(CC)C(=O)CCC[NH+]1CCCCC1 ZINC001754082663 1185453255 /nfs/dbraw/zinc/45/32/55/1185453255.db2.gz ZREYPARKLXREEB-UHFFFAOYSA-N 2 0 279.428 1.324 20 30 CDEDRP C=C(C)C[NH2+]C/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001754173037 1185492047 /nfs/dbraw/zinc/49/20/47/1185492047.db2.gz FUHOSLNTBAXAFH-ZRUQZJFASA-N 2 0 265.401 1.166 20 30 CDEDRP CC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001754179626 1185495405 /nfs/dbraw/zinc/49/54/05/1185495405.db2.gz LUWOOUKXQPMNGS-KXPUMZMLSA-N 2 0 291.439 1.535 20 30 CDEDRP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001754711421 1185712574 /nfs/dbraw/zinc/71/25/74/1185712574.db2.gz AMEGWWWLWOLFEB-KRWDZBQOSA-N 2 0 293.455 1.877 20 30 CDEDRP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001755268755 1185883072 /nfs/dbraw/zinc/88/30/72/1185883072.db2.gz GZLZYHZHOWWXRN-JKSUJKDBSA-N 2 0 293.455 1.759 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001755427505 1185949042 /nfs/dbraw/zinc/94/90/42/1185949042.db2.gz GVXJTGROFYHKFX-QKDCVEJESA-N 2 0 291.439 1.198 20 30 CDEDRP C#CC[NH2+][C@@H](C)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001755612413 1186011658 /nfs/dbraw/zinc/01/16/58/1186011658.db2.gz IRDJYOCNMRSSOO-AWEZNQCLSA-N 2 0 287.407 1.432 20 30 CDEDRP C#CCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001755701660 1186040816 /nfs/dbraw/zinc/04/08/16/1186040816.db2.gz MDDGZJNBYDTOCX-VYDXJSESSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001275310129 1166665587 /nfs/dbraw/zinc/66/55/87/1166665587.db2.gz BENDQGAQBYXGNW-JXQTWKCFSA-N 2 0 267.417 1.243 20 30 CDEDRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+]C2CCC(CC#N)CC2)O1 ZINC001173330773 912429604 /nfs/dbraw/zinc/42/96/04/912429604.db2.gz VVNDXBSPGGJRNV-KDQUWOQTSA-N 2 0 295.427 1.773 20 30 CDEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992156791 912758763 /nfs/dbraw/zinc/75/87/63/912758763.db2.gz XLLHGQVNMPBECT-RDJZCZTQSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209444351 894718854 /nfs/dbraw/zinc/71/88/54/894718854.db2.gz FWOANCGMQUEMQF-ZDUSSCGKSA-N 2 0 253.390 1.095 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176024266 913902666 /nfs/dbraw/zinc/90/26/66/913902666.db2.gz NWBKJRITLJFNJY-CQSZACIVSA-N 2 0 267.417 1.226 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001167235887 894929251 /nfs/dbraw/zinc/92/92/51/894929251.db2.gz BXHWGVGAPFZRGJ-GJZGRUSLSA-N 2 0 291.439 1.084 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001022290096 896235669 /nfs/dbraw/zinc/23/56/69/896235669.db2.gz FHBJEBYPEVJUID-MJBXVCDLSA-N 2 0 265.401 1.284 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106600286 914055132 /nfs/dbraw/zinc/05/51/32/914055132.db2.gz XVIAUZXYLLTZBG-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001167608508 897009265 /nfs/dbraw/zinc/00/92/65/897009265.db2.gz FILUWFKOGFGWFF-AWEZNQCLSA-N 2 0 267.417 1.533 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001022855859 897022371 /nfs/dbraw/zinc/02/23/71/897022371.db2.gz KGXPKGDDGAPVGJ-IYBDPMFKSA-N 2 0 285.391 1.232 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106672325 914125872 /nfs/dbraw/zinc/12/58/72/914125872.db2.gz QGQACAGWRLNHMH-HUUCEWRRSA-N 2 0 293.455 1.282 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023377349 897531887 /nfs/dbraw/zinc/53/18/87/897531887.db2.gz KHFKJADXYBNADP-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176573300 914184110 /nfs/dbraw/zinc/18/41/10/914184110.db2.gz LQCYLLYJKWMUFO-OAHLLOKOSA-N 2 0 281.444 1.923 20 30 CDEDRP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001026610704 900014747 /nfs/dbraw/zinc/01/47/47/900014747.db2.gz SPTVDJDHAJVKLU-GPANFISMSA-N 2 0 291.439 1.511 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027449725 900505191 /nfs/dbraw/zinc/50/51/91/900505191.db2.gz GBQQJIAAZCMNJE-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001027680568 900736276 /nfs/dbraw/zinc/73/62/76/900736276.db2.gz HPPNJBDXANLAOK-KBPBESRZSA-N 2 0 265.401 1.047 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001027879636 900926818 /nfs/dbraw/zinc/92/68/18/900926818.db2.gz VSDGVCRESGNHIF-HZPDHXFCSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001027985521 901116528 /nfs/dbraw/zinc/11/65/28/901116528.db2.gz JRCOFQBCIOVIIV-HOTGVXAUSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028116511 901369386 /nfs/dbraw/zinc/36/93/86/901369386.db2.gz HLULBFUOSMGVKJ-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP Cc1nc(NC(=[NH2+])NCCCC[NH3+])c(C#N)c(C)c1C ZINC001167880282 901622474 /nfs/dbraw/zinc/62/24/74/901622474.db2.gz FYPHVGKWCKWKIY-UHFFFAOYSA-N 2 0 274.372 1.554 20 30 CDEDRP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028647290 903182949 /nfs/dbraw/zinc/18/29/49/903182949.db2.gz HABJCAOQNORUJY-HZPDHXFCSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001028762165 903999412 /nfs/dbraw/zinc/99/94/12/903999412.db2.gz HFKDWGUULMMPBQ-KKUMJFAQSA-N 2 0 279.428 1.341 20 30 CDEDRP CC[NH+]=C(NCC(C)(C)[NH+](C)C)N1CC[C@]2(CCOC2)C1 ZINC000262010634 904798363 /nfs/dbraw/zinc/79/83/63/904798363.db2.gz WNRHHAQJFFQIFM-INIZCTEOSA-N 2 0 296.459 1.405 20 30 CDEDRP C[C@@H](CNC(=[NH2+])NC(C)(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000262018650 904804244 /nfs/dbraw/zinc/80/42/44/904804244.db2.gz XATLOTFZANIRDO-RYUDHWBXSA-N 2 0 254.422 1.952 20 30 CDEDRP CC#CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC ZINC001087799271 905857093 /nfs/dbraw/zinc/85/70/93/905857093.db2.gz LPCXCUKMVMAAQF-LSDHHAIUSA-N 2 0 289.423 1.075 20 30 CDEDRP CC(C)CCNC(=[NH2+])NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000303791893 906673290 /nfs/dbraw/zinc/67/32/90/906673290.db2.gz XYAOENPOAATBBD-OAHLLOKOSA-N 2 0 297.491 1.209 20 30 CDEDRP C=CC[NH+]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989474832 908907085 /nfs/dbraw/zinc/90/70/85/908907085.db2.gz LZDMRGZMTMVOIJ-AWEZNQCLSA-N 2 0 265.401 1.049 20 30 CDEDRP C[NH+](C)C1CCC([NH2+]Cc2ncc(C#N)s2)CC1 ZINC001168305592 908951808 /nfs/dbraw/zinc/95/18/08/908951808.db2.gz OZADQOUQJWDCDS-UHFFFAOYSA-N 2 0 264.398 1.977 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000989682896 908968671 /nfs/dbraw/zinc/96/86/71/908968671.db2.gz KQYCYGAVSRIPHG-KGLIPLIRSA-N 2 0 277.412 1.237 20 30 CDEDRP C#CCC[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000989728164 908987866 /nfs/dbraw/zinc/98/78/66/908987866.db2.gz CZVSQWJOBHTPSU-HZPDHXFCSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189400294 921474207 /nfs/dbraw/zinc/47/42/07/921474207.db2.gz JAEKCZQSRXGETD-KBPBESRZSA-N 2 0 265.401 1.189 20 30 CDEDRP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093194824 909682997 /nfs/dbraw/zinc/68/29/97/909682997.db2.gz CGUQFXLDSAVIDM-BZUAXINKSA-N 2 0 293.455 1.588 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171578883 910837841 /nfs/dbraw/zinc/83/78/41/910837841.db2.gz KIUYTWHANXZFHK-UHFFFAOYSA-N 2 0 269.433 1.780 20 30 CDEDRP C[C@H](CCCC#N)N(CC[NH+](C)C)CC[NH+](C)C ZINC001172504311 911735570 /nfs/dbraw/zinc/73/55/70/911735570.db2.gz GKJYNOHQAGHGBO-CQSZACIVSA-N 2 0 254.422 1.494 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483952491 915239801 /nfs/dbraw/zinc/23/98/01/915239801.db2.gz XHGOXSJOAGVMMH-LSDHHAIUSA-N 2 0 281.444 1.729 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001031766479 915761547 /nfs/dbraw/zinc/76/15/47/915761547.db2.gz JPYOVYSCKQHHKA-GJZGRUSLSA-N 2 0 277.412 1.237 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203359058 915768099 /nfs/dbraw/zinc/76/80/99/915768099.db2.gz NHXXDLKTULVROB-ZIAGYGMSSA-N 2 0 279.428 1.531 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C ZINC001179539294 915882096 /nfs/dbraw/zinc/88/20/96/915882096.db2.gz UTNDMOFKKGBKJD-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001179586543 915886423 /nfs/dbraw/zinc/88/64/23/915886423.db2.gz PZBAYYHJERACNS-CABCVRRESA-N 2 0 281.444 1.636 20 30 CDEDRP C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001097638636 936319620 /nfs/dbraw/zinc/31/96/20/936319620.db2.gz BQIBZQHDDZTYMU-KFWWJZLASA-N 2 0 291.439 1.768 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001179979445 916098982 /nfs/dbraw/zinc/09/89/82/916098982.db2.gz YPTYTMYOJKFIDS-GJZGRUSLSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1cncn1C ZINC001049842802 936184044 /nfs/dbraw/zinc/18/40/44/936184044.db2.gz YEUCHCPHZXELGE-HUUCEWRRSA-N 2 0 288.395 1.214 20 30 CDEDRP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001052713539 936398087 /nfs/dbraw/zinc/39/80/87/936398087.db2.gz ZQFWSBCRZDNAEJ-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052870626 936403305 /nfs/dbraw/zinc/40/33/05/936403305.db2.gz VZZPTCSJVJYPPR-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001052869433 936403700 /nfs/dbraw/zinc/40/37/00/936403700.db2.gz DONUAEPCMYVYFO-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052937356 936405794 /nfs/dbraw/zinc/40/57/94/936405794.db2.gz JIEGOJTYPMIEPB-OAHLLOKOSA-N 2 0 277.412 1.076 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001181755246 917341109 /nfs/dbraw/zinc/34/11/09/917341109.db2.gz KWLHCUYTROUAJQ-FRFSOERESA-N 2 0 293.455 1.587 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1(C)C ZINC000996194914 918217233 /nfs/dbraw/zinc/21/72/33/918217233.db2.gz HQUNWOUEINTXHD-SOUVJXGZSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001183648053 918585090 /nfs/dbraw/zinc/58/50/90/918585090.db2.gz NOZVQUIVOKTTDK-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000996923093 918691777 /nfs/dbraw/zinc/69/17/77/918691777.db2.gz QMMZDWIITLIOMJ-KBPBESRZSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001001001776 936545123 /nfs/dbraw/zinc/54/51/23/936545123.db2.gz LUPDSXOIDJJJSZ-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001153946 936548043 /nfs/dbraw/zinc/54/80/43/936548043.db2.gz YHRFKZVBGFBZHR-GDBMZVCRSA-N 2 0 291.439 1.509 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000997188049 919081924 /nfs/dbraw/zinc/08/19/24/919081924.db2.gz YIBWVVUCAJZZFF-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCCC[N@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273495206 919357125 /nfs/dbraw/zinc/35/71/25/919357125.db2.gz QIFNHWHSLCSLIK-QGZVFWFLSA-N 2 0 293.455 1.829 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001185029383 919385883 /nfs/dbraw/zinc/38/58/83/919385883.db2.gz HJGFLBAIMBQJCV-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997865533 919399387 /nfs/dbraw/zinc/39/93/87/919399387.db2.gz FLXUTBFQAILNTR-GOEBONIOSA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185084588 919416992 /nfs/dbraw/zinc/41/69/92/919416992.db2.gz KOAIUQPJIYHEIE-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001185336734 919556298 /nfs/dbraw/zinc/55/62/98/919556298.db2.gz KHIDCMIYBZDWJZ-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001185724253 919730726 /nfs/dbraw/zinc/73/07/26/919730726.db2.gz WIXPANHGDNOOHL-CQSZACIVSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999870804 919802512 /nfs/dbraw/zinc/80/25/12/919802512.db2.gz HKJOKUALNCRZFV-CQSZACIVSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCN1CC[C@@]2(CCC[N@H+]2CC2CC[NH+](C)CC2)C1=O ZINC001272888185 919966559 /nfs/dbraw/zinc/96/65/59/919966559.db2.gz QQMQTAUJJSXAEW-KRWDZBQOSA-N 2 0 291.439 1.581 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001202990762 936666781 /nfs/dbraw/zinc/66/67/81/936666781.db2.gz CRHXYBDTCKOPSA-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001203041498 936713800 /nfs/dbraw/zinc/71/38/00/936713800.db2.gz GKCKCRPQQJLQDL-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073453839 936724781 /nfs/dbraw/zinc/72/47/81/936724781.db2.gz BEFOGNFATKRUHH-GASCZTMLSA-N 2 0 291.439 1.580 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033582394 922269092 /nfs/dbraw/zinc/26/90/92/922269092.db2.gz OSQNJNBHQKERTN-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001033683767 922315873 /nfs/dbraw/zinc/31/58/73/922315873.db2.gz BMMYYYUQTANMHL-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001098461858 936752387 /nfs/dbraw/zinc/75/23/87/936752387.db2.gz SDVUJZZTBFDNIC-WCVJEAGWSA-N 2 0 289.423 1.216 20 30 CDEDRP C#CCC[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034386326 922621930 /nfs/dbraw/zinc/62/19/30/922621930.db2.gz QWQOWNOXRBNDCI-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC001168755238 922665260 /nfs/dbraw/zinc/66/52/60/922665260.db2.gz JLYGGLKLNWBVGK-CQSZACIVSA-N 2 0 269.433 1.779 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001034733424 922779970 /nfs/dbraw/zinc/77/99/70/922779970.db2.gz BUSDFTSAADBYEX-RBSFLKMASA-N 2 0 279.428 1.531 20 30 CDEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001192343754 923019631 /nfs/dbraw/zinc/01/96/31/923019631.db2.gz QYNQICYLHCXKHK-CABCVRRESA-N 2 0 277.412 1.027 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001036264539 923132992 /nfs/dbraw/zinc/13/29/92/923132992.db2.gz IVCOLXUNLBBCEX-HUUCEWRRSA-N 2 0 291.439 1.485 20 30 CDEDRP C[NH+](C)CC1(O)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000710671587 923260732 /nfs/dbraw/zinc/26/07/32/923260732.db2.gz IPHDIMXNSONBEF-UHFFFAOYSA-N 2 0 273.380 1.447 20 30 CDEDRP C#C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)[C@H]1CCCO1 ZINC000775571193 923460969 /nfs/dbraw/zinc/46/09/69/923460969.db2.gz CDSLMPJZXWKZEL-JKSUJKDBSA-N 2 0 285.391 1.821 20 30 CDEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000923361985 923789783 /nfs/dbraw/zinc/78/97/83/923789783.db2.gz JNLRPNQVSJIHFP-KKUMJFAQSA-N 2 0 252.402 1.635 20 30 CDEDRP N#Cc1ccc([C@H](O)C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923516316 923893045 /nfs/dbraw/zinc/89/30/45/923893045.db2.gz YVKSELXHUJBKEL-ARFHVFGLSA-N 2 0 271.364 1.133 20 30 CDEDRP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001194266702 924140492 /nfs/dbraw/zinc/14/04/92/924140492.db2.gz YSSTYGOLGZSRNL-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001195283695 924530929 /nfs/dbraw/zinc/53/09/29/924530929.db2.gz GJXUCXSDESHQAE-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001080704627 924624948 /nfs/dbraw/zinc/62/49/48/924624948.db2.gz CARZJMYADNFBKV-GDBMZVCRSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CCCC[NH+]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001198282738 925384626 /nfs/dbraw/zinc/38/46/26/925384626.db2.gz GFHVUDSACLWKPS-UHFFFAOYSA-N 2 0 281.444 1.827 20 30 CDEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001085519770 926109585 /nfs/dbraw/zinc/10/95/85/926109585.db2.gz XEGSDUXODODTMR-UONOGXRCSA-N 2 0 265.401 1.189 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085598640 926204067 /nfs/dbraw/zinc/20/40/67/926204067.db2.gz XKNBDEPMGKLCBM-HZPDHXFCSA-N 2 0 291.439 1.437 20 30 CDEDRP CC#CC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CCC)[C@H](C)C1 ZINC001102524713 937063308 /nfs/dbraw/zinc/06/33/08/937063308.db2.gz SESMSAFFMMHTES-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085673240 926274244 /nfs/dbraw/zinc/27/42/44/926274244.db2.gz SKLOAODZIZKZRW-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP C#CCC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102600399 937067707 /nfs/dbraw/zinc/06/77/07/937067707.db2.gz DAMNIGAVRQVBMQ-HUUCEWRRSA-N 2 0 279.428 1.034 20 30 CDEDRP C=CCOCC[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202238795 926513082 /nfs/dbraw/zinc/51/30/82/926513082.db2.gz MFFAWCDNTLPZMI-UHFFFAOYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001205947244 926565432 /nfs/dbraw/zinc/56/54/32/926565432.db2.gz ZLRJZSJZYXOGSA-RBSFLKMASA-N 2 0 250.386 1.683 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129329208 927007355 /nfs/dbraw/zinc/00/73/55/927007355.db2.gz WMAWVQWAYXSAQL-CQSZACIVSA-N 2 0 267.417 1.246 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722257 937152523 /nfs/dbraw/zinc/15/25/23/937152523.db2.gz DPQGUVRPDWJJMT-HZPDHXFCSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103723708 937153052 /nfs/dbraw/zinc/15/30/52/937153052.db2.gz YPCCVJHMLBCTQC-HZPDHXFCSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(Cl)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000852751127 927863025 /nfs/dbraw/zinc/86/30/25/927863025.db2.gz QEUYQABVSKZDIT-QWHCGFSZSA-N 2 0 258.793 1.957 20 30 CDEDRP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+](CC)CC)C2 ZINC001108785642 928631750 /nfs/dbraw/zinc/63/17/50/928631750.db2.gz KWIAPQVMKJZEGA-JYJNAYRXSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129364520 928637432 /nfs/dbraw/zinc/63/74/32/928637432.db2.gz WBLCMTYSZWHSSY-UHFFFAOYSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109402461 928921207 /nfs/dbraw/zinc/92/12/07/928921207.db2.gz QVGYHVGWWNMWIT-QPSCCSFWSA-N 2 0 277.412 1.234 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001109446535 928942087 /nfs/dbraw/zinc/94/20/87/928942087.db2.gz TYZZPLMPCSYYFT-RQJABVFESA-N 2 0 265.401 1.234 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC23CCC[NH+]2CCC3)CC1 ZINC000798251384 937351649 /nfs/dbraw/zinc/35/16/49/937351649.db2.gz MAUARYVYIGKMOR-UHFFFAOYSA-N 2 0 289.423 1.076 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCCC1 ZINC001115337992 937352138 /nfs/dbraw/zinc/35/21/38/937352138.db2.gz BDSWHYJJAXCVJF-QLPKVWCKSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC(F)(F)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000815439406 930018307 /nfs/dbraw/zinc/01/83/07/930018307.db2.gz OGSJGGWULSCYJL-UHFFFAOYSA-N 2 0 277.359 1.150 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135297403 930134174 /nfs/dbraw/zinc/13/41/74/930134174.db2.gz BAPQLSKHGWJUQB-ZIAGYGMSSA-N 2 0 281.444 1.777 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298880 930136508 /nfs/dbraw/zinc/13/65/08/930136508.db2.gz QPUPWSZANNFFRF-KGLIPLIRSA-N 2 0 281.444 1.777 20 30 CDEDRP C#CC[N@@H+](C)CCCNCc1cc(F)c(OC)cc1OC ZINC000883131391 930147084 /nfs/dbraw/zinc/14/70/84/930147084.db2.gz ZZGSYCRZIMKLSB-UHFFFAOYSA-N 2 0 294.370 1.888 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135314462 930151101 /nfs/dbraw/zinc/15/11/01/930151101.db2.gz BHPIWTMRZLBCGY-ZIAGYGMSSA-N 2 0 267.417 1.224 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001115730509 937416219 /nfs/dbraw/zinc/41/62/19/937416219.db2.gz LVHBKNZSQFBHJJ-OAHLLOKOSA-N 2 0 291.439 1.370 20 30 CDEDRP COc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1C#N ZINC000817915528 930629913 /nfs/dbraw/zinc/62/99/13/930629913.db2.gz NTGZETZLXKYWRC-JSGCOSHPSA-N 2 0 259.353 1.784 20 30 CDEDRP N#Cc1cc(C(F)(F)F)cnc1N[C@H]([NH3+])CCC[NH3+] ZINC001170897118 930693513 /nfs/dbraw/zinc/69/35/13/930693513.db2.gz DLHOPMDQESDXDI-VIFPVBQESA-N 2 0 273.262 1.408 20 30 CDEDRP COc1nc(N[C@@H]([NH3+])CCC[NH3+])c(C#N)c(C)c1Cl ZINC001170898451 930696459 /nfs/dbraw/zinc/69/64/59/930696459.db2.gz OAMRKGIOEUKNNM-SECBINFHSA-N 2 0 283.763 1.359 20 30 CDEDRP C#CC[C@@H]1CC[N@@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000886365116 930871825 /nfs/dbraw/zinc/87/18/25/930871825.db2.gz ADWXZNNPIDLNEK-IEBWSBKVSA-N 2 0 298.430 1.969 20 30 CDEDRP C[NH+]=C(NCCCC[N@@H+]1CCCC[C@H]1C)NC1CC1 ZINC000103337952 931295043 /nfs/dbraw/zinc/29/50/43/931295043.db2.gz DYGQXGRRRRZFFU-CYBMUJFWSA-N 2 0 266.433 1.968 20 30 CDEDRP CCOCCCNC(=[NH2+])NCC[NH+]1CCC(C)CC1 ZINC000104168069 931322460 /nfs/dbraw/zinc/32/24/60/931322460.db2.gz QXCAGBNYOYIRKT-UHFFFAOYSA-N 2 0 270.421 1.049 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH+]1CCC(C)CC1 ZINC000104168085 931322536 /nfs/dbraw/zinc/32/25/36/931322536.db2.gz XDYOCWNYTDSFJL-HNNXBMFYSA-N 3 0 295.475 1.107 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH+]1CCC(C)CC1 ZINC000104168081 931322595 /nfs/dbraw/zinc/32/25/95/931322595.db2.gz XDYOCWNYTDSFJL-OAHLLOKOSA-N 3 0 295.475 1.107 20 30 CDEDRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=[NH2+])N2CCOCC2)C1 ZINC000104178843 931323346 /nfs/dbraw/zinc/32/33/46/931323346.db2.gz REQBESJDWGERHV-OKILXGFUSA-N 2 0 296.459 1.390 20 30 CDEDRP C[C@@H](Cc1cccc(C#N)c1)NC(=[NH2+])SCC[NH3+] ZINC001171182680 931822772 /nfs/dbraw/zinc/82/27/72/931822772.db2.gz XUGHBQUJMLZFBW-JTQLQIEISA-N 2 0 262.382 1.706 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001091111901 931825757 /nfs/dbraw/zinc/82/57/57/931825757.db2.gz PAEPYDIDYNERDS-GPANFISMSA-N 2 0 293.455 1.777 20 30 CDEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171249001 932120029 /nfs/dbraw/zinc/12/00/29/932120029.db2.gz ZVKOXUJELGDTFX-HOCLYGCPSA-N 2 0 293.455 1.615 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001147460970 932509529 /nfs/dbraw/zinc/50/95/29/932509529.db2.gz WNCDTWUCIRSQLW-MRXNPFEDSA-N 2 0 289.423 1.961 20 30 CDEDRP C=CC[N@H+]1CCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001147657797 932569585 /nfs/dbraw/zinc/56/95/85/932569585.db2.gz CENBZQITSZEAAP-CQSZACIVSA-N 2 0 297.418 1.387 20 30 CDEDRP C=C(C)CC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210762 932666240 /nfs/dbraw/zinc/66/62/40/932666240.db2.gz VGMXXNUBUKGCJE-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP N#Cc1ccc(NCC[NH2+][C@H]2CCCC[C@H]2C[NH3+])nc1 ZINC000925892969 932950133 /nfs/dbraw/zinc/95/01/33/932950133.db2.gz ITXQETHWJZNDOF-KBPBESRZSA-N 2 0 273.384 1.472 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000928647972 933168522 /nfs/dbraw/zinc/16/85/22/933168522.db2.gz BVQPKGMERNZFJV-UHFFFAOYSA-N 2 0 289.423 1.076 20 30 CDEDRP CC(C)[C@@H](CNC(=[NH2+])N1CCOCC1)[NH+]1CCCCCC1 ZINC000303786315 935043900 /nfs/dbraw/zinc/04/39/00/935043900.db2.gz RELFMBKPMCHYTR-OAHLLOKOSA-N 2 0 296.459 1.534 20 30 CDEDRP CC(C)CCNC(=[NH2+])NCC1([NH+](C)C)CCOCC1 ZINC000304765528 935088452 /nfs/dbraw/zinc/08/84/52/935088452.db2.gz ZJSHOEOMBHGSKY-UHFFFAOYSA-N 2 0 270.421 1.048 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCCC[NH+](C(C)C)C(C)C ZINC000304771827 935088625 /nfs/dbraw/zinc/08/86/25/935088625.db2.gz AGXBYSBLCPKERD-ZDUSSCGKSA-N 2 0 272.437 1.435 20 30 CDEDRP CC#CCN1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001007799710 935391483 /nfs/dbraw/zinc/39/14/83/935391483.db2.gz KPHKHMMILUXXGC-HNNXBMFYSA-N 2 0 296.374 1.552 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001009050652 935418646 /nfs/dbraw/zinc/41/86/46/935418646.db2.gz NCBRJKTYDSJXNS-MRXNPFEDSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001014636588 935543652 /nfs/dbraw/zinc/54/36/52/935543652.db2.gz YOBQKQVEHPIYAF-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014729568 935548457 /nfs/dbraw/zinc/54/84/57/935548457.db2.gz SFMOJMOZVWKTRG-HUUCEWRRSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015387507 935567736 /nfs/dbraw/zinc/56/77/36/935567736.db2.gz LWKNGHNIEAZQRU-JKSUJKDBSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC[C@H]1C ZINC001017942961 935656011 /nfs/dbraw/zinc/65/60/11/935656011.db2.gz WDUJZKNQBJLQPQ-OAGGEKHMSA-N 2 0 291.439 1.722 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001039470809 935776145 /nfs/dbraw/zinc/77/61/45/935776145.db2.gz TXTLUCAPZFLKRC-CVEARBPZSA-N 2 0 291.439 1.724 20 30 CDEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001042750531 935828381 /nfs/dbraw/zinc/82/83/81/935828381.db2.gz JELWQJNMIVXGBC-JKSUJKDBSA-N 2 0 293.455 1.826 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC)C[C@@H]2C)CC1 ZINC001044869575 935872066 /nfs/dbraw/zinc/87/20/66/935872066.db2.gz ATCDXBIZRZHFGI-GOEBONIOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001096015375 935879395 /nfs/dbraw/zinc/87/93/95/935879395.db2.gz DIKDNLMAKZSLNW-FZKCQIBNSA-N 2 0 291.439 1.626 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001048897601 936087293 /nfs/dbraw/zinc/08/72/93/936087293.db2.gz ZTUGPQJBCKMLAH-OWCLPIDISA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001121237790 937863337 /nfs/dbraw/zinc/86/33/37/937863337.db2.gz GIQCZDPQDGPNLC-UHFFFAOYSA-N 2 0 291.439 1.674 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)CCCC[NH+](C)C)C2)C1 ZINC001122088651 937904407 /nfs/dbraw/zinc/90/44/07/937904407.db2.gz ZRJCCNZVAVNWCH-UHFFFAOYSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409326 938364045 /nfs/dbraw/zinc/36/40/45/938364045.db2.gz KSKUREWGKPCLMQ-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157112837 938455830 /nfs/dbraw/zinc/45/58/30/938455830.db2.gz APQREHFWXGVLPZ-CQSZACIVSA-N 2 0 269.433 1.729 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157754748 938541228 /nfs/dbraw/zinc/54/12/28/938541228.db2.gz LCJABLXQELBJOT-OAHLLOKOSA-N 2 0 283.391 1.318 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158030727 938576805 /nfs/dbraw/zinc/57/68/05/938576805.db2.gz XITNXDUGPXKOID-KGLIPLIRSA-N 2 0 265.401 1.143 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158036691 938577528 /nfs/dbraw/zinc/57/75/28/938577528.db2.gz FLAYJQJHYCCDEV-HZPDHXFCSA-N 2 0 293.455 1.923 20 30 CDEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158856469 938671226 /nfs/dbraw/zinc/67/12/26/938671226.db2.gz IOEBPQOTIPPAPM-JKSUJKDBSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158866949 938673575 /nfs/dbraw/zinc/67/35/75/938673575.db2.gz VBSLROMKBQTOHN-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001159839342 938756549 /nfs/dbraw/zinc/75/65/49/938756549.db2.gz YSPZVOIJNVEZGL-HNNXBMFYSA-N 2 0 281.444 1.636 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160866266 938834414 /nfs/dbraw/zinc/83/44/14/938834414.db2.gz AGNSLJLEKIKXPI-CABCVRRESA-N 2 0 279.428 1.675 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001165501881 939567855 /nfs/dbraw/zinc/56/78/55/939567855.db2.gz QRMLGPVAANDJQA-UHFFFAOYSA-N 2 0 291.439 1.370 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001165763771 939576666 /nfs/dbraw/zinc/57/66/66/939576666.db2.gz FYWSHMCRLYQPIF-CQSZACIVSA-N 2 0 279.428 1.533 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165794648 939578037 /nfs/dbraw/zinc/57/80/37/939578037.db2.gz ZQLKHYBNWSJPMJ-CYBMUJFWSA-N 2 0 255.406 1.389 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001166750892 939635747 /nfs/dbraw/zinc/63/57/47/939635747.db2.gz LWPNAPWGTABITJ-UHFFFAOYSA-N 2 0 269.433 1.636 20 30 CDEDRP CN(C[C@@H]1CC[NH2+]C1)c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001166955078 939658895 /nfs/dbraw/zinc/65/88/95/939658895.db2.gz PUIFZFLQLNKZDI-GFCCVEGCSA-N 2 0 285.395 1.035 20 30 CDEDRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C#N)cc1 ZINC001203905592 939712856 /nfs/dbraw/zinc/71/28/56/939712856.db2.gz VWFKZOXEHVJVCQ-UHFFFAOYSA-N 2 0 272.396 1.237 20 30 CDEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001204793301 939791393 /nfs/dbraw/zinc/79/13/93/939791393.db2.gz DWPADOGVRCTZKU-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP N#Cc1cccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205208101 939835728 /nfs/dbraw/zinc/83/57/28/939835728.db2.gz AHEYFPSUCPAKIG-OAHLLOKOSA-N 2 0 259.353 1.234 20 30 CDEDRP Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205688843 939920301 /nfs/dbraw/zinc/92/03/01/939920301.db2.gz KVRMDPRJMPGVOU-INIZCTEOSA-N 2 0 273.380 1.542 20 30 CDEDRP CCc1cc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)ccc1C#N ZINC001205735293 939929858 /nfs/dbraw/zinc/92/98/58/939929858.db2.gz MPASVTWKZVQTLT-QGZVFWFLSA-N 2 0 287.407 1.796 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001206176230 939992403 /nfs/dbraw/zinc/99/24/03/939992403.db2.gz ICUDVAZVRKJSQL-OAHLLOKOSA-N 2 0 281.444 1.587 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001206928592 940113046 /nfs/dbraw/zinc/11/30/46/940113046.db2.gz AUTSZZBOQRANBO-UHFFFAOYSA-N 2 0 279.428 1.487 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206928833 940113238 /nfs/dbraw/zinc/11/32/38/940113238.db2.gz KGPYXZSPIUEVBD-OAHLLOKOSA-N 2 0 279.428 1.342 20 30 CDEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001208414102 940329607 /nfs/dbraw/zinc/32/96/07/940329607.db2.gz HVLZOLVEVQDIJL-HUUCEWRRSA-N 2 0 297.443 1.110 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001209689051 940625769 /nfs/dbraw/zinc/62/57/69/940625769.db2.gz JBSPXEDGYQPCQO-OAHLLOKOSA-N 2 0 293.455 1.568 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210798018 940714084 /nfs/dbraw/zinc/71/40/84/940714084.db2.gz ZKKWHGHWYNSFTE-HNNXBMFYSA-N 2 0 279.428 1.322 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211350450 940749011 /nfs/dbraw/zinc/74/90/11/940749011.db2.gz UHXVPUUICWZEBQ-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP CCCCCCCNC(=O)NCCC[N@H+](C)CCC[NH3+] ZINC001239231459 945352621 /nfs/dbraw/zinc/35/26/21/945352621.db2.gz NSFVNVQKSBTJCV-UHFFFAOYSA-N 2 0 286.464 1.927 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001215067697 940854034 /nfs/dbraw/zinc/85/40/34/940854034.db2.gz XVLXBKKTYUBICT-CZUORRHYSA-N 2 0 296.374 1.408 20 30 CDEDRP N#Cc1ccc([C@@H](O)C[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000402204924 940891377 /nfs/dbraw/zinc/89/13/77/940891377.db2.gz DRVYUHPHFKFGPY-INIZCTEOSA-N 2 0 273.380 1.652 20 30 CDEDRP C=C1CC[NH2+]C[C@H]1Oc1cccc(CN2CC[NH2+]CC2)c1 ZINC001218205072 941044115 /nfs/dbraw/zinc/04/41/15/941044115.db2.gz VISLGVKZHHHIQN-QGZVFWFLSA-N 2 0 287.407 1.389 20 30 CDEDRP Cc1cc(C#N)c(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)s1 ZINC001218554576 941235626 /nfs/dbraw/zinc/23/56/26/941235626.db2.gz MKVPXAUVROFPRA-LBPRGKRZSA-N 2 0 294.424 1.926 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)Nc2cccc3c2C[NH2+]C3)C1 ZINC001218993154 941298539 /nfs/dbraw/zinc/29/85/39/941298539.db2.gz KHAOCJRCNAGFNK-HNNXBMFYSA-N 2 0 257.337 1.537 20 30 CDEDRP CCc1cc(NC(=O)[C@@H]([NH3+])CCC[NH3+])cc(CC)c1C#N ZINC001219112514 941309865 /nfs/dbraw/zinc/30/98/65/941309865.db2.gz KEULZIVMCLEAHN-HNNXBMFYSA-N 2 0 288.395 1.688 20 30 CDEDRP C#CC1(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])CCCCC1 ZINC001221276114 941509749 /nfs/dbraw/zinc/50/97/49/941509749.db2.gz QGKWHLGFGZBSOT-ZDUSSCGKSA-N 2 0 265.401 1.285 20 30 CDEDRP C=CC[C@@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1ccccc1 ZINC001221361465 941521708 /nfs/dbraw/zinc/52/17/08/941521708.db2.gz UHDDPPDCXHFEGE-LSDHHAIUSA-N 2 0 285.391 1.229 20 30 CDEDRP N#Cc1cc(F)cc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222091347 941563030 /nfs/dbraw/zinc/56/30/30/941563030.db2.gz QXGLBOXZEJHJSL-UHFFFAOYSA-N 2 0 288.370 1.225 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223379580 941673970 /nfs/dbraw/zinc/67/39/70/941673970.db2.gz WAHMVIGLTRBRFD-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC001284277565 943137207 /nfs/dbraw/zinc/13/72/07/943137207.db2.gz UVDPLCHXGLFGMN-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP [NH3+]CCN(CC[NH3+])Cc1ccc(C#Cc2ccccc2)cc1 ZINC001235875293 944303634 /nfs/dbraw/zinc/30/36/34/944303634.db2.gz DMWRLAKKCFSQDF-UHFFFAOYSA-N 2 0 293.414 1.806 20 30 CDEDRP N#Cc1cc(-c2cnc(C[NH3+])nc2)cc(C2C[NH2+]C2)c1 ZINC001240351253 945800933 /nfs/dbraw/zinc/80/09/33/945800933.db2.gz NNRWVYGHLKROGJ-UHFFFAOYSA-N 2 0 265.320 1.161 20 30 CDEDRP CCCCCCCC[C@H](O)C[NH2+]CCCN1CC[NH2+]CC1 ZINC001245982318 947878419 /nfs/dbraw/zinc/87/84/19/947878419.db2.gz RICFIMQRZHNXNU-KRWDZBQOSA-N 2 0 299.503 1.983 20 30 CDEDRP CC(C)C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)NO ZINC001255677814 948070999 /nfs/dbraw/zinc/07/09/99/948070999.db2.gz XXLFGYHKWDJUBX-GSPSYOTPSA-N 2 0 283.416 1.511 20 30 CDEDRP C=CCOC1CCC([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)CC1 ZINC001246561689 948277329 /nfs/dbraw/zinc/27/73/29/948277329.db2.gz SBZZYCRYLLQLGA-UYSNPLJNSA-N 2 0 282.428 1.676 20 30 CDEDRP C[N@@H+]1CC[C@]2(CCN(Cc3cnn4ccc(C#N)cc34)C2)C1 ZINC001249118725 949396524 /nfs/dbraw/zinc/39/65/24/949396524.db2.gz KBLRSGBIFNRJPB-KRWDZBQOSA-N 2 0 295.390 1.734 20 30 CDEDRP C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)N1CC[NH+](C)CC1 ZINC001364600247 954871570 /nfs/dbraw/zinc/87/15/70/954871570.db2.gz VCCKNHYPYONGQY-QQFBHYJXSA-N 2 0 278.444 1.684 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001328203911 955224878 /nfs/dbraw/zinc/22/48/78/955224878.db2.gz KYZZTXBMBHGTRV-CABCVRRESA-N 2 0 294.443 1.114 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001366040704 956528813 /nfs/dbraw/zinc/52/88/13/956528813.db2.gz WJXFBOCBOWZPOU-CQSZACIVSA-N 2 0 299.846 1.708 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001366040700 956530020 /nfs/dbraw/zinc/53/00/20/956530020.db2.gz WJXFBOCBOWZPOU-AWEZNQCLSA-N 2 0 299.846 1.708 20 30 CDEDRP C#CCNC(=O)CC[NH2+][C@H](Cn1ccnc1)C(C)(C)C ZINC001336732130 960516442 /nfs/dbraw/zinc/51/64/42/960516442.db2.gz AOFAHBQYSJBKHQ-CYBMUJFWSA-N 2 0 276.384 1.027 20 30 CDEDRP C#CC[NH2+]CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001340335301 962897572 /nfs/dbraw/zinc/89/75/72/962897572.db2.gz JJPVOPONCDYLBR-AWEZNQCLSA-N 2 0 293.798 1.282 20 30 CDEDRP CN1CCC[C@@H]1C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001351680374 966975210 /nfs/dbraw/zinc/97/52/10/966975210.db2.gz WHXVWNCYGDRUEF-OAHLLOKOSA-N 2 0 286.379 1.571 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001100186122 967588199 /nfs/dbraw/zinc/58/81/99/967588199.db2.gz ZZOADCJODBDDLV-YMAMQOFZSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001357363083 969574847 /nfs/dbraw/zinc/57/48/47/969574847.db2.gz VWOVGOGJTFSGCH-TZMCWYRMSA-N 2 0 265.401 1.271 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001380406759 976410684 /nfs/dbraw/zinc/41/06/84/976410684.db2.gz XANKFKRNOAVRRO-UKRRQHHQSA-N 2 0 299.846 1.661 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132248187 1163211038 /nfs/dbraw/zinc/21/10/38/1163211038.db2.gz CRBJARMAVIAXDZ-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132517586 1163335374 /nfs/dbraw/zinc/33/53/74/1163335374.db2.gz FGPSFMSOXNEJBH-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001132737487 1163458886 /nfs/dbraw/zinc/45/88/86/1163458886.db2.gz NLWRCWSHTHKZLU-AWEZNQCLSA-N 2 0 267.417 1.390 20 30 CDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C)C[C@H]1CC ZINC001574852049 1171026146 /nfs/dbraw/zinc/02/61/46/1171026146.db2.gz OCCJWZYRQBDRNT-VXGBXAGGSA-N 2 0 273.808 1.399 20 30 CDEDRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccccn1 ZINC000178899854 342532954 /nfs/dbraw/zinc/53/29/54/342532954.db2.gz HNQFMUMWUWFQLN-CYBMUJFWSA-N 2 0 275.400 1.929 20 30 CDEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786526 342597023 /nfs/dbraw/zinc/59/70/23/342597023.db2.gz DBYHOWXXTOBPCU-CQSZACIVSA-N 2 0 281.444 1.729 20 30 CDEDRP C[NH+](C)CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C(C)(C)C ZINC000594437093 342898254 /nfs/dbraw/zinc/89/82/54/342898254.db2.gz HWVIKNSRUIFAFH-KGLIPLIRSA-N 2 0 296.459 1.880 20 30 CDEDRP CC#CC[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000075007713 342308596 /nfs/dbraw/zinc/30/85/96/342308596.db2.gz IDAKZXWVTJOVRO-UHFFFAOYSA-N 2 0 252.402 1.833 20 30 CDEDRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442775393 362090201 /nfs/dbraw/zinc/09/02/01/362090201.db2.gz FUJSCYJPXZIAFQ-CVEARBPZSA-N 2 0 278.444 1.542 20 30 CDEDRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000596579785 343354046 /nfs/dbraw/zinc/35/40/46/343354046.db2.gz WSEAMMUZECYZJE-GFCCVEGCSA-N 2 0 268.405 1.244 20 30 CDEDRP CC(C)(C#N)C[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000598592095 343838440 /nfs/dbraw/zinc/83/84/40/343838440.db2.gz FLXOIMYBLGMMDH-HNNXBMFYSA-N 2 0 288.395 1.504 20 30 CDEDRP CC1CC[NH+](CCC[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598705153 343877357 /nfs/dbraw/zinc/87/73/57/343877357.db2.gz ZLJXBQWIIRSNGD-OAHLLOKOSA-N 2 0 281.444 1.999 20 30 CDEDRP C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1=CC[N@H+](C)CC1 ZINC000598724035 343885198 /nfs/dbraw/zinc/88/51/98/343885198.db2.gz LGXYCVBHLWBYEJ-TZMCWYRMSA-N 2 0 265.401 1.527 20 30 CDEDRP N#C[C@@H]1CCC[C@@H](Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC000602020497 344316860 /nfs/dbraw/zinc/31/68/60/344316860.db2.gz KLPXSHDIXFLRMS-ZIAGYGMSSA-N 2 0 285.395 1.985 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000641783445 365851844 /nfs/dbraw/zinc/85/18/44/365851844.db2.gz LIHUJXHTNPVCPS-UHFFFAOYSA-N 2 0 294.443 1.372 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000612878834 347311240 /nfs/dbraw/zinc/31/12/40/347311240.db2.gz OBBUQAXZULPBLY-OAHLLOKOSA-N 2 0 280.416 1.078 20 30 CDEDRP CN1CC[NH+](CCCC[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000619672020 347722871 /nfs/dbraw/zinc/72/28/71/347722871.db2.gz NJMOOYCQWLHGPH-GJZGRUSLSA-N 2 0 264.417 1.296 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(F)cc1F ZINC000264112050 362971155 /nfs/dbraw/zinc/97/11/55/362971155.db2.gz PAKIIOMXEYRIKM-CYBMUJFWSA-N 2 0 296.365 1.853 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(C)(C)[NH3+])C(C)C ZINC000236677726 358795730 /nfs/dbraw/zinc/79/57/30/358795730.db2.gz HUWARRCYNYPJDU-CYBMUJFWSA-N 2 0 267.417 1.539 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000297296297 200138344 /nfs/dbraw/zinc/13/83/44/200138344.db2.gz RCLRJEPFTFYQOA-UHFFFAOYSA-N 2 0 296.374 1.296 20 30 CDEDRP C#CC[N@@H+](C)CCCN[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000314978845 360425538 /nfs/dbraw/zinc/42/55/38/360425538.db2.gz QBUBTTCHXPVXNC-NSHDSACASA-N 2 0 295.408 1.535 20 30 CDEDRP C[C@@H](CNC(=[NH2+])Nc1ccccn1)[N@@H+]1CCC[C@H](C)C1 ZINC000170913301 365162059 /nfs/dbraw/zinc/16/20/59/365162059.db2.gz LSRVCUFGSBPIMW-STQMWFEESA-N 2 0 275.400 1.929 20 30 CDEDRP N#CC1(C[NH2+]Cc2ccc(C[NH3+])cc2)CCOCC1 ZINC001580041305 1172330879 /nfs/dbraw/zinc/33/08/79/1172330879.db2.gz ZDLLNOWVIOVPNW-UHFFFAOYSA-N 2 0 259.353 1.555 20 30 CDEDRP Cn1cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1C#N ZINC000292828964 374309970 /nfs/dbraw/zinc/30/99/70/374309970.db2.gz QXXVEPNWZMHVKG-OAHLLOKOSA-N 2 0 258.369 1.424 20 30 CDEDRP CC[C@H]([NH3+])CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423462980 374383122 /nfs/dbraw/zinc/38/31/22/374383122.db2.gz KZRBHPOKFPQGSZ-INIZCTEOSA-N 2 0 286.423 1.850 20 30 CDEDRP C=CCC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000132292123 375499510 /nfs/dbraw/zinc/49/95/10/375499510.db2.gz MULDEDLBFICRLY-LSDHHAIUSA-N 2 0 254.418 1.977 20 30 CDEDRP C=CC[N@H+](CCN1CC[NH2+]CC1)CC1CCCCC1 ZINC000420310056 376327352 /nfs/dbraw/zinc/32/73/52/376327352.db2.gz UUEJOZOKQCBEOH-UHFFFAOYSA-N 2 0 265.445 1.960 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)[NH2+]CC)CC1 ZINC000417543411 377929918 /nfs/dbraw/zinc/92/99/18/377929918.db2.gz UNRXJYMTESBXTO-CYBMUJFWSA-N 2 0 282.432 1.324 20 30 CDEDRP CNC(NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)=[NH+]C ZINC000069418654 378081429 /nfs/dbraw/zinc/08/14/29/378081429.db2.gz YFGCCTOMJOITNO-CHWSQXEVSA-N 2 0 254.422 1.539 20 30 CDEDRP Cc1cc(C[NH2+]CCCN2CC[NH+](C)CC2)ccc1C#N ZINC000443983887 250069422 /nfs/dbraw/zinc/06/94/22/250069422.db2.gz RJVXHIXEHLANLY-UHFFFAOYSA-N 2 0 286.423 1.594 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@]2(CC)CC[NH2+]C2)CC1 ZINC000370844459 390589429 /nfs/dbraw/zinc/58/94/29/390589429.db2.gz VFLPWEOQKHFDPC-HNNXBMFYSA-N 2 0 265.401 1.143 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C1)C(C)C ZINC000417058382 391341062 /nfs/dbraw/zinc/34/10/62/391341062.db2.gz FOILLPQGPIWOAI-CABCVRRESA-N 2 0 294.443 1.346 20 30 CDEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000261966718 391743937 /nfs/dbraw/zinc/74/39/37/391743937.db2.gz BNOFUMPZJAEWOD-GFCCVEGCSA-N 2 0 272.396 1.854 20 30 CDEDRP Cn1cc(C[NH2+]CCCC[NH+]2CCOCC2)cc1C#N ZINC000190774750 130145605 /nfs/dbraw/zinc/14/56/05/130145605.db2.gz XFAPHDOTIRMNRQ-UHFFFAOYSA-N 2 0 276.384 1.099 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372332676 391848648 /nfs/dbraw/zinc/84/86/48/391848648.db2.gz OCRJZABZPJNVPG-CABCVRRESA-N 2 0 251.418 1.520 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC000490877067 261234803 /nfs/dbraw/zinc/23/48/03/261234803.db2.gz WDTLJBDWYSTFDS-LSDHHAIUSA-N 2 0 291.439 1.273 20 30 CDEDRP C=C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414759128 263039798 /nfs/dbraw/zinc/03/97/98/263039798.db2.gz NUZQGEHWVZRQGK-KGLIPLIRSA-N 2 0 265.401 1.224 20 30 CDEDRP C=CCCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000369411601 267240794 /nfs/dbraw/zinc/24/07/94/267240794.db2.gz LZAYEHKDKWHWIU-UHFFFAOYSA-N 2 0 252.402 1.997 20 30 CDEDRP CC1CCN(C(=[NH2+])NCC[NH+]2CCCCCC2)CC1 ZINC000303386740 267651880 /nfs/dbraw/zinc/65/18/80/267651880.db2.gz WOHQWWOOGHUVBK-UHFFFAOYSA-N 2 0 266.433 1.909 20 30 CDEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000181721158 289603916 /nfs/dbraw/zinc/60/39/16/289603916.db2.gz IHJWMNOZYXLPJV-CABCVRRESA-N 2 0 286.423 1.845 20 30 CDEDRP C[NH+](C)CC1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000564453006 293359477 /nfs/dbraw/zinc/35/94/77/293359477.db2.gz OXSNYQAGHWXIGY-UHFFFAOYSA-N 2 0 298.394 1.375 20 30 CDEDRP C[NH+]=C(NCc1cc(C)no1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261849394 328142466 /nfs/dbraw/zinc/14/24/66/328142466.db2.gz XTQXJZSETAOBKU-IINYFYTJSA-N 2 0 291.399 1.131 20 30 CDEDRP C[NH+]=C(NCc1ccoc1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262022540 328143818 /nfs/dbraw/zinc/14/38/18/328143818.db2.gz ZCBYTHZVZDHLSC-RISCZKNCSA-N 2 0 276.384 1.427 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1c(C)noc1C ZINC000267398077 328178142 /nfs/dbraw/zinc/17/81/42/328178142.db2.gz FIPRLGWLZDVXJF-ZDUSSCGKSA-N 2 0 293.415 1.223 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)CC[NH+](C)C)CC1 ZINC000176336869 329174711 /nfs/dbraw/zinc/17/47/11/329174711.db2.gz PBJGDQMMCIVXOT-UHFFFAOYSA-N 2 0 282.432 1.230 20 30 CDEDRP CC[NH+]=C(NCC[NH+]1CCCC1)N1CC[C@]2(CCOC2)C1 ZINC000179197073 329205730 /nfs/dbraw/zinc/20/57/30/329205730.db2.gz LGWVGBQBFAAEJI-INIZCTEOSA-N 2 0 294.443 1.160 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[C@@H]1C ZINC000262195400 330001727 /nfs/dbraw/zinc/00/17/27/330001727.db2.gz RNIXKPJIVPIBJO-BFHYXJOUSA-N 2 0 266.433 1.811 20 30 CDEDRP CNC(NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)=[NH+]C ZINC000262617842 330023049 /nfs/dbraw/zinc/02/30/49/330023049.db2.gz BZCFNWZTKVUAIA-WCQYABFASA-N 2 0 280.441 1.926 20 30 CDEDRP C[C@H]1CCCN(C(=[NH2+])NCC2=CC[N@H+](C)CC2)C1 ZINC000263195124 330048643 /nfs/dbraw/zinc/04/86/43/330048643.db2.gz ZVWUHXYUXHRYIS-LBPRGKRZSA-N 2 0 250.390 1.295 20 30 CDEDRP CC1CC[NH+](CCCCNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424125959 330258905 /nfs/dbraw/zinc/25/89/05/330258905.db2.gz AYMZBFGBZKJUQI-HNNXBMFYSA-N 2 0 294.443 1.636 20 30 CDEDRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424132134 330264363 /nfs/dbraw/zinc/26/43/63/330264363.db2.gz KKLQZTVTPLXKCM-LSDHHAIUSA-N 2 0 294.443 1.778 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000424136141 330272325 /nfs/dbraw/zinc/27/23/25/330272325.db2.gz ABSBAEZMJAMRQW-GJZGRUSLSA-N 2 0 292.427 1.484 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000424179779 330318681 /nfs/dbraw/zinc/31/86/81/330318681.db2.gz UKIAULWVLNFGJK-AWEZNQCLSA-N 2 0 280.416 1.375 20 30 CDEDRP C=C(CC)C[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000451992783 331049709 /nfs/dbraw/zinc/04/97/09/331049709.db2.gz UTEGUFICHZKSSX-UHFFFAOYSA-N 2 0 253.434 1.958 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000490781174 332115578 /nfs/dbraw/zinc/11/55/78/332115578.db2.gz XWKSEONQBMZLPO-JKSUJKDBSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000491625323 332249183 /nfs/dbraw/zinc/24/91/83/332249183.db2.gz KHWMHKBCOVVUQZ-UHFFFAOYSA-N 2 0 294.443 1.115 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2[C@H](C)C[NH+](CC)C[C@H]2C)CC1 ZINC000491631257 332253960 /nfs/dbraw/zinc/25/39/60/332253960.db2.gz QAYSDJRBZNKWKU-HUUCEWRRSA-N 2 0 291.439 1.273 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001754610684 1159395228 /nfs/dbraw/zinc/39/52/28/1159395228.db2.gz KCFGZCFLVWQYIH-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001754702323 1159433899 /nfs/dbraw/zinc/43/38/99/1159433899.db2.gz AAJNVSLQQABVOD-INIZCTEOSA-N 2 0 281.444 1.733 20 30 CDEDRP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001754920215 1159488270 /nfs/dbraw/zinc/48/82/70/1159488270.db2.gz XBDXLIPULUDOJC-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417519784 482593270 /nfs/dbraw/zinc/59/32/70/482593270.db2.gz AXZKPLYFSSBZIO-JSGCOSHPSA-N 2 0 280.416 1.206 20 30 CDEDRP COCC#CC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401369 483611050 /nfs/dbraw/zinc/61/10/50/483611050.db2.gz VZRFIFVVHAQPII-CABCVRRESA-N 2 0 264.413 1.879 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001168667295 1161432080 /nfs/dbraw/zinc/43/20/80/1161432080.db2.gz RZCFQZZHAOHDFD-CQSZACIVSA-N 2 0 267.417 1.082 20 30 CDEDRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NCCC#N)CC1 ZINC000728571972 574637875 /nfs/dbraw/zinc/63/78/75/574637875.db2.gz OXXVCWCZOCWSKJ-UHFFFAOYSA-N 2 0 280.416 1.068 20 30 CDEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000963158276 612955692 /nfs/dbraw/zinc/95/56/92/612955692.db2.gz WPGWUNNQKCWIOM-YMAMQOFZSA-N 2 0 277.412 1.073 20 30 CDEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000970057352 612997720 /nfs/dbraw/zinc/99/77/20/612997720.db2.gz BTQRWLKNJPGLJK-ZDUSSCGKSA-N 2 0 296.374 1.408 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000971681726 613090240 /nfs/dbraw/zinc/09/02/40/613090240.db2.gz GFZZLCWJBPAWCM-CVEARBPZSA-N 2 0 291.439 1.415 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977593777 613274447 /nfs/dbraw/zinc/27/44/47/613274447.db2.gz CTUXIOXAPKNZQZ-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000977217676 613280613 /nfs/dbraw/zinc/28/06/13/613280613.db2.gz UDMSPBVQTZCUCY-OAHLLOKOSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942597714 613327324 /nfs/dbraw/zinc/32/73/24/613327324.db2.gz MMYLXELIVZUQRJ-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977600558 613338285 /nfs/dbraw/zinc/33/82/85/613338285.db2.gz NXZJKXMBJPYHNJ-ZIAGYGMSSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000959846677 613345042 /nfs/dbraw/zinc/34/50/42/613345042.db2.gz GPMTYJRMNSNJQH-QXSJWSMHSA-N 2 0 291.439 1.482 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981462608 613347686 /nfs/dbraw/zinc/34/76/86/613347686.db2.gz YCCILMJPGVIQHV-CABCVRRESA-N 2 0 291.439 1.675 20 30 CDEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000969411375 613482659 /nfs/dbraw/zinc/48/26/59/613482659.db2.gz JUWRDKKBIORJTL-OCCSQVGLSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC000961959155 613562834 /nfs/dbraw/zinc/56/28/34/613562834.db2.gz RXOXSEZKSNMJGE-QLPKVWCKSA-N 2 0 291.439 1.341 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977450520 613608518 /nfs/dbraw/zinc/60/85/18/613608518.db2.gz FQAZAVFOMLFMOV-LSDHHAIUSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967707659 613727318 /nfs/dbraw/zinc/72/73/18/613727318.db2.gz KSYVWXYSHLCBOY-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3CCC)[C@@H]2C1 ZINC000978234425 613834742 /nfs/dbraw/zinc/83/47/42/613834742.db2.gz SPQCCNQCLJUCRD-JONQDZQNSA-N 2 0 291.439 1.341 20 30 CDEDRP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3CCC)[C@@H]2C1 ZINC000978234427 613834996 /nfs/dbraw/zinc/83/49/96/613834996.db2.gz SPQCCNQCLJUCRD-LVQVYYBASA-N 2 0 291.439 1.341 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000891520929 617459762 /nfs/dbraw/zinc/45/97/62/617459762.db2.gz BPVQTVYQPXONGM-HDJSIYSDSA-N 2 0 294.443 1.454 20 30 CDEDRP C[NH+]1CCC(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000891558586 617477729 /nfs/dbraw/zinc/47/77/29/617477729.db2.gz QXMXGGVNGASFJV-UHFFFAOYSA-N 2 0 299.422 1.417 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129422433 1162472185 /nfs/dbraw/zinc/47/21/85/1162472185.db2.gz IRZKDSNALUTYTE-CQSZACIVSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196679 1162829825 /nfs/dbraw/zinc/82/98/25/1162829825.db2.gz RDTRPVMIFVIXGL-UHFFFAOYSA-N 2 0 285.351 1.163 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133685304 1163851154 /nfs/dbraw/zinc/85/11/54/1163851154.db2.gz SNEVXQWFMUDQSK-CYBMUJFWSA-N 2 0 255.406 1.389 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000813519950 1163902276 /nfs/dbraw/zinc/90/22/76/1163902276.db2.gz CFLIWAOLQAOEDC-GOEBONIOSA-N 2 0 289.423 1.912 20 30 CDEDRP CC[C@@H](C(=O)NCC[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001133982524 1163996554 /nfs/dbraw/zinc/99/65/54/1163996554.db2.gz DSLQWSLXTLCCJB-HNNXBMFYSA-N 2 0 288.395 1.104 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134857857 1164109148 /nfs/dbraw/zinc/10/91/48/1164109148.db2.gz KOVDRFZKISMSOW-KGLIPLIRSA-N 2 0 277.412 1.121 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)CC[NH2+]CC2CC2)CC1 ZINC000870883061 1165227673 /nfs/dbraw/zinc/22/76/73/1165227673.db2.gz KZGOTHAKUZBBRJ-UHFFFAOYSA-N 2 0 265.401 1.143 20 30 CDEDRP C#CCN(C(=O)NCC[N@@H+](C)[C@@H](C)CC)C1CC[NH2+]CC1 ZINC001574590524 1170994840 /nfs/dbraw/zinc/99/48/40/1170994840.db2.gz BUBWKWUJWZHAQJ-AWEZNQCLSA-N 2 0 294.443 1.114 20 30 CDEDRP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC001574757418 1171005525 /nfs/dbraw/zinc/00/55/25/1171005525.db2.gz OVTLUXIFDQSWTI-OAHLLOKOSA-N 2 0 285.391 1.538 20 30 CDEDRP N#CC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCOCC1 ZINC001580038938 1172329796 /nfs/dbraw/zinc/32/97/96/1172329796.db2.gz WQEKJBWNCGYTSV-HZSPNIEDSA-N 2 0 263.385 1.284 20 30 CDEDRP Cc1ccccc1NC(=[NH2+])NC[C@H](C)N1CC[NH+](C)CC1 ZINC000170913132 1181227433 /nfs/dbraw/zinc/22/74/33/1181227433.db2.gz NDBQWWJQITXOIU-AWEZNQCLSA-N 2 0 289.427 1.358 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001724237821 1181657127 /nfs/dbraw/zinc/65/71/27/1181657127.db2.gz NNXNGEUGZNUKSJ-HIFRSBDPSA-N 2 0 265.401 1.095 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1CCOC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261973169 1182202232 /nfs/dbraw/zinc/20/22/32/1182202232.db2.gz NFRAMWGKCVNIKE-KCQAQPDRSA-N 2 0 294.443 1.061 20 30 CDEDRP C#CCC[NH2+][C@@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001752499120 1184872215 /nfs/dbraw/zinc/87/22/15/1184872215.db2.gz JAPBSGXEVHDMCP-INIZCTEOSA-N 2 0 291.439 1.370 20 30 CDEDRP C=CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001752789682 1184913855 /nfs/dbraw/zinc/91/38/55/1184913855.db2.gz INYJTYKEHDLJBS-AWEZNQCLSA-N 2 0 265.401 1.096 20 30 CDEDRP C#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001753332979 1185159179 /nfs/dbraw/zinc/15/91/79/1185159179.db2.gz ZNWSTNPWJQFHTN-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+](C)CCC)C1 ZINC001753461716 1185219307 /nfs/dbraw/zinc/21/93/07/1185219307.db2.gz MNLZTJCJLGBVEO-AWEZNQCLSA-N 2 0 267.417 1.437 20 30 CDEDRP C=C(C)C[NH2+]C[C@@](C)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001753528783 1185249153 /nfs/dbraw/zinc/24/91/53/1185249153.db2.gz TUGAZMOXAGUBBP-MRXNPFEDSA-N 2 0 291.439 1.533 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001753788389 1185335313 /nfs/dbraw/zinc/33/53/13/1185335313.db2.gz NPNCGXIGPKVUMA-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@H]21 ZINC001753877060 1185376039 /nfs/dbraw/zinc/37/60/39/1185376039.db2.gz YHDAYWIMRJCAHS-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001753896088 1185384736 /nfs/dbraw/zinc/38/47/36/1185384736.db2.gz SROHCXRNIAEVND-LSDHHAIUSA-N 2 0 291.439 1.226 20 30 CDEDRP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001754331093 1185583166 /nfs/dbraw/zinc/58/31/66/1185583166.db2.gz OHAVZPZEIVFVIJ-CYBMUJFWSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001754523438 1185657319 /nfs/dbraw/zinc/65/73/19/1185657319.db2.gz VCFAAVFGEXEZGU-UHFFFAOYSA-N 2 0 265.401 1.143 20 30 CDEDRP C=CCCC[NH+]1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001754581480 1185673494 /nfs/dbraw/zinc/67/34/94/1185673494.db2.gz DHGAESVUNPNAKF-UHFFFAOYSA-N 2 0 267.417 1.437 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001755197061 1185851671 /nfs/dbraw/zinc/85/16/71/1185851671.db2.gz FMCBAOCTHWIWSV-CQSZACIVSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001755325933 1185920079 /nfs/dbraw/zinc/92/00/79/1185920079.db2.gz FRGUXGXZTKPAID-AWEZNQCLSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)CC[N@@H+](C)CC)C[C@@]2(C)C1 ZINC001755460977 1185955155 /nfs/dbraw/zinc/95/51/55/1185955155.db2.gz RXHZDTFTGKJFJH-CALCHBBNSA-N 2 0 293.455 1.685 20 30 CDEDRP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001755526443 1185980211 /nfs/dbraw/zinc/98/02/11/1185980211.db2.gz IHHWZABUDWPZST-JKSUJKDBSA-N 2 0 293.455 1.615 20 30 CDEDRP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](CC)[NH+](C)C ZINC001755567588 1185993864 /nfs/dbraw/zinc/99/38/64/1185993864.db2.gz RNSAAEFRBMSCOU-GJZGRUSLSA-N 2 0 279.428 1.177 20 30 CDEDRP CC#CC[NH2+]C1CC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001755857177 1186092460 /nfs/dbraw/zinc/09/24/60/1186092460.db2.gz CFCUYDCADXVHAM-HWOWSKLDSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001114413975 1164920178 /nfs/dbraw/zinc/92/01/78/1164920178.db2.gz KFVRWLUMYZFFGL-FOLVSLTJSA-N 2 0 277.412 1.093 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CCC[C@H]1C)CC2 ZINC001035797265 783635744 /nfs/dbraw/zinc/63/57/44/783635744.db2.gz HFYZJHPKMGAPPP-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076457448 783823741 /nfs/dbraw/zinc/82/37/41/783823741.db2.gz DKZDZTRIMSYLGR-QLFBSQMISA-N 2 0 277.412 1.047 20 30 CDEDRP C=CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C1 ZINC001048862638 783985220 /nfs/dbraw/zinc/98/52/20/783985220.db2.gz AMFOSQSMWNBZCG-OKILXGFUSA-N 2 0 277.412 1.047 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014409137 784266911 /nfs/dbraw/zinc/26/69/11/784266911.db2.gz QMPQLWPRKLODMD-GJZGRUSLSA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001038624444 784335792 /nfs/dbraw/zinc/33/57/92/784335792.db2.gz OHVVRMHBWIIZIP-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001001002712 784344915 /nfs/dbraw/zinc/34/49/15/784344915.db2.gz OXQIARNRGRGHEH-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C[C@@H](CCNC(=[NH2+])N1CCSCC1)[NH+]1CCCCC1 ZINC000305798339 784401406 /nfs/dbraw/zinc/40/14/06/784401406.db2.gz BSPSZPSFDUTURR-ZDUSSCGKSA-N 2 0 284.473 1.614 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000985614764 784414441 /nfs/dbraw/zinc/41/44/41/784414441.db2.gz MXPLXRAYVJMRJT-UHFFFAOYSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2cncn2C)[C@@H]1C ZINC000987348293 784624981 /nfs/dbraw/zinc/62/49/81/784624981.db2.gz MEJUWNBOTHLCIT-TZMCWYRMSA-N 2 0 276.384 1.118 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001034749268 784740692 /nfs/dbraw/zinc/74/06/92/784740692.db2.gz JTJFTIRIBQOEHJ-WKILWMFISA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000073437072 784744710 /nfs/dbraw/zinc/74/47/10/784744710.db2.gz WONUZBOHMWOESX-AWEZNQCLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001036298342 784856968 /nfs/dbraw/zinc/85/69/68/784856968.db2.gz NBWRBIOEMZNJBK-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009510594 785089219 /nfs/dbraw/zinc/08/92/19/785089219.db2.gz RYLIKMQUDHDUAR-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001042359232 785328103 /nfs/dbraw/zinc/32/81/03/785328103.db2.gz YFUJMRJORQXBAK-HZPDHXFCSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CC[NH+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048870935 785333926 /nfs/dbraw/zinc/33/39/26/785333926.db2.gz FXKALZPTTRYNAP-OWCLPIDISA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027477235 785346879 /nfs/dbraw/zinc/34/68/79/785346879.db2.gz DDJFTCZYFDYBDU-HNNXBMFYSA-N 2 0 291.439 1.724 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001028624414 785601952 /nfs/dbraw/zinc/60/19/52/785601952.db2.gz YDRIYTRUZWVRGJ-OAHLLOKOSA-N 2 0 291.439 1.487 20 30 CDEDRP C=CC[NH2+]C1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001026582554 785684133 /nfs/dbraw/zinc/68/41/33/785684133.db2.gz LEPRXSGXRZXGJV-UHFFFAOYSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001006916709 785700426 /nfs/dbraw/zinc/70/04/26/785700426.db2.gz MYDDLXWPRJIKGT-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1cnc[nH]1 ZINC001049749856 785838387 /nfs/dbraw/zinc/83/83/87/785838387.db2.gz GJGPNGQKWSYRJJ-HUUCEWRRSA-N 2 0 286.379 1.041 20 30 CDEDRP CCOCCCNC(=[NH2+])NCC1(C[NH+](C)C)CCCC1 ZINC000183833771 785859286 /nfs/dbraw/zinc/85/92/86/785859286.db2.gz SYSIMRPQPVYBTO-UHFFFAOYSA-N 2 0 284.448 1.439 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001016931997 785879697 /nfs/dbraw/zinc/87/96/97/785879697.db2.gz ZVHHZVPUVKYTTA-CQSZACIVSA-N 2 0 289.423 1.239 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001031667083 786017533 /nfs/dbraw/zinc/01/75/33/786017533.db2.gz XJSSLADAPZSONW-OAHLLOKOSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000923374625 786041685 /nfs/dbraw/zinc/04/16/85/786041685.db2.gz BUFXBIBPEVMREZ-XHSDSOJGSA-N 2 0 282.428 1.532 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001015032687 786053631 /nfs/dbraw/zinc/05/36/31/786053631.db2.gz MOWKLRRIPQTHCX-CYBMUJFWSA-N 2 0 284.363 1.633 20 30 CDEDRP CNC(NC[C@@H](C(C)C)[NH+]1CCCCCC1)=[NH+]C ZINC000303266611 786099582 /nfs/dbraw/zinc/09/95/82/786099582.db2.gz WDJCYUMNXSLDEP-ZDUSSCGKSA-N 2 0 254.422 1.682 20 30 CDEDRP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001027985886 786160342 /nfs/dbraw/zinc/16/03/42/786160342.db2.gz QGPNQLYOHGHNHS-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)CN1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001001237414 786236157 /nfs/dbraw/zinc/23/61/57/786236157.db2.gz FLZDVXQCMAYVNO-AWEZNQCLSA-N 2 0 299.846 1.661 20 30 CDEDRP C#CC[N@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034308439 786391329 /nfs/dbraw/zinc/39/13/29/786391329.db2.gz BNZUIBNUQGUOHD-HNNXBMFYSA-N 2 0 296.374 1.552 20 30 CDEDRP C=CC[NH+]1CCC(C)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001045544362 786466460 /nfs/dbraw/zinc/46/64/60/786466460.db2.gz DTNHQBVJMMQLBI-UHFFFAOYSA-N 2 0 279.428 1.485 20 30 CDEDRP C[NH+]=C(NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)NC1CC1 ZINC000848988091 786481541 /nfs/dbraw/zinc/48/15/41/786481541.db2.gz FPUQFMMHPPXKGF-BETUJISGSA-N 2 0 266.433 1.682 20 30 CDEDRP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033353691 786510635 /nfs/dbraw/zinc/51/06/35/786510635.db2.gz JILVKMVNIJXXKI-CVEARBPZSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001008974517 786628888 /nfs/dbraw/zinc/62/88/88/786628888.db2.gz MJKZOXUTYNBVQY-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H]1C ZINC000993562907 786664175 /nfs/dbraw/zinc/66/41/75/786664175.db2.gz GAQIEJJMGKNNLH-LSDHHAIUSA-N 2 0 291.439 1.770 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001027970382 786729890 /nfs/dbraw/zinc/72/98/90/786729890.db2.gz AXZQVAXVSWNDFB-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C[C@H](C#N)OCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000801953760 786803891 /nfs/dbraw/zinc/80/38/91/786803891.db2.gz VAZZPYMYZATGTJ-CQSZACIVSA-N 2 0 265.401 1.723 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NC[C@@H]1CCCS1 ZINC000261932437 786823465 /nfs/dbraw/zinc/82/34/65/786823465.db2.gz BPQCKZMIJKONNN-STQMWFEESA-N 2 0 284.473 1.389 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001046832556 786877610 /nfs/dbraw/zinc/87/76/10/786877610.db2.gz XSHDEBVMNCSOHF-GOEBONIOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001044767408 786879640 /nfs/dbraw/zinc/87/96/40/786879640.db2.gz OFMIAGWFCPZCAH-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001020237811 786891219 /nfs/dbraw/zinc/89/12/19/786891219.db2.gz DLSXAOJYIVXWQH-JYJNAYRXSA-N 2 0 293.455 1.777 20 30 CDEDRP C=CCC[N@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046776621 787036209 /nfs/dbraw/zinc/03/62/09/787036209.db2.gz GMSYFYMRCFQFBQ-OAHLLOKOSA-N 2 0 277.412 1.239 20 30 CDEDRP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001023372000 787086709 /nfs/dbraw/zinc/08/67/09/787086709.db2.gz KPBVWWXJBHUCIW-OWCLPIDISA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001044766240 787324447 /nfs/dbraw/zinc/32/44/47/787324447.db2.gz JNPHWZTURXINDN-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cncc2C)C1 ZINC000989187242 787530703 /nfs/dbraw/zinc/53/07/03/787530703.db2.gz JWFXQMXHRAFEMZ-AAEUAGOBSA-N 2 0 296.802 1.523 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001022855672 787813808 /nfs/dbraw/zinc/81/38/08/787813808.db2.gz BUNHQAGTFVIDLS-IYBDPMFKSA-N 2 0 287.407 1.785 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CCc2ncc[nH]2)C1 ZINC000999048506 787831247 /nfs/dbraw/zinc/83/12/47/787831247.db2.gz XFNSRFMORWWBNG-CYBMUJFWSA-N 2 0 276.384 1.499 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001027609745 787843658 /nfs/dbraw/zinc/84/36/58/787843658.db2.gz FFNQEGQSNRJPID-HIFRSBDPSA-N 2 0 288.395 1.144 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001016633778 787848404 /nfs/dbraw/zinc/84/84/04/787848404.db2.gz XZGJAWWHFKNLOW-KFWWJZLASA-N 2 0 291.439 1.483 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC)[C@@H]2C)CC1 ZINC000994500936 787873675 /nfs/dbraw/zinc/87/36/75/787873675.db2.gz RVLPBQQPJZEQDG-GDBMZVCRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001015858559 787881339 /nfs/dbraw/zinc/88/13/39/787881339.db2.gz SPYFZOLORHUNOJ-MRXNPFEDSA-N 2 0 287.407 1.738 20 30 CDEDRP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001024796511 787898790 /nfs/dbraw/zinc/89/87/90/787898790.db2.gz CFGMNPKNDUSPBO-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CCC[N@@H+]1CC[C@@]2(NC(=O)Cn3ccnc3)CCC[C@H]12 ZINC000992530154 787984751 /nfs/dbraw/zinc/98/47/51/787984751.db2.gz JMWOZRJJKNKBIQ-HOCLYGCPSA-N 2 0 286.379 1.020 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001016336518 788116259 /nfs/dbraw/zinc/11/62/59/788116259.db2.gz BPXWVFTZKNGRAW-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])N(C)C ZINC000170908819 788146243 /nfs/dbraw/zinc/14/62/43/788146243.db2.gz LVILIYUOXFRGEQ-UHFFFAOYSA-N 2 0 262.401 1.905 20 30 CDEDRP CC[NH+]1CCC([NH2+]CCNc2ccc(C#N)cn2)CC1 ZINC000927170024 788165320 /nfs/dbraw/zinc/16/53/20/788165320.db2.gz WHFKLRNIWDGAHY-UHFFFAOYSA-N 2 0 273.384 1.439 20 30 CDEDRP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001045554189 788165652 /nfs/dbraw/zinc/16/56/52/788165652.db2.gz PNNDSFYFYWWMQJ-CABCVRRESA-N 2 0 291.439 1.178 20 30 CDEDRP COc1ccccc1CNC(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000178566645 788167336 /nfs/dbraw/zinc/16/73/36/788167336.db2.gz QTSXCJNFNDGYRY-UHFFFAOYSA-N 2 0 278.400 1.488 20 30 CDEDRP C[C@@H](CCNC(=[NH2+])NCC1CCC1)[NH+]1CCCCC1 ZINC000305836744 788350796 /nfs/dbraw/zinc/35/07/96/788350796.db2.gz XANQLPDXIBTEKU-ZDUSSCGKSA-N 2 0 266.433 1.955 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001000190764 788371480 /nfs/dbraw/zinc/37/14/80/788371480.db2.gz HOGNPBDXXOQQTN-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001076254979 788621282 /nfs/dbraw/zinc/62/12/82/788621282.db2.gz PMCJSZUIQZFKGZ-SOUVJXGZSA-N 2 0 279.428 1.435 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000303717538 788806947 /nfs/dbraw/zinc/80/69/47/788806947.db2.gz UEGRSJJPKADAJQ-OLZOCXBDSA-N 2 0 252.406 1.517 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028930148 788879416 /nfs/dbraw/zinc/87/94/16/788879416.db2.gz AJEMFRBPTMHRCZ-AWEZNQCLSA-N 2 0 277.412 1.096 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC000986352520 789005395 /nfs/dbraw/zinc/00/53/95/789005395.db2.gz HJJGZLFVKONQBD-DZGCQCFKSA-N 2 0 279.428 1.626 20 30 CDEDRP N#Cc1ccc(N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000872146845 789067211 /nfs/dbraw/zinc/06/72/11/789067211.db2.gz ZALZWANHZWEFMM-AWEZNQCLSA-N 2 0 285.395 1.075 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001036869910 789067768 /nfs/dbraw/zinc/06/77/68/789067768.db2.gz MAERLWCVTSEXOB-LSDHHAIUSA-N 2 0 289.423 1.191 20 30 CDEDRP CC[C@@H](C)NC(=[NH2+])NCC[C@@H](C)[NH+]1CCCCC1 ZINC000305836824 789070807 /nfs/dbraw/zinc/07/08/07/789070807.db2.gz XEQQQHUFSVGOFJ-CHWSQXEVSA-N 2 0 254.422 1.954 20 30 CDEDRP C[NH+](C)CCCC[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000045697055 1166276435 /nfs/dbraw/zinc/27/64/35/1166276435.db2.gz QYXHWIBTFSFQKW-HNNXBMFYSA-N 2 0 291.395 1.229 20 30 CDEDRP CCCCOCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000303901000 789308655 /nfs/dbraw/zinc/30/86/55/789308655.db2.gz XAUOTXLBJDLFFP-CYBMUJFWSA-N 2 0 270.421 1.192 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001049059267 789312788 /nfs/dbraw/zinc/31/27/88/789312788.db2.gz PCPQXJFAFCVXBA-HRCADAONSA-N 2 0 291.439 1.295 20 30 CDEDRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000809576934 789314822 /nfs/dbraw/zinc/31/48/22/789314822.db2.gz SZYSIZQBVIHSDZ-CQSZACIVSA-N 2 0 253.390 1.315 20 30 CDEDRP C[C@H](C#N)CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849003923 789515491 /nfs/dbraw/zinc/51/54/91/789515491.db2.gz OIHISGJZHZHNFT-CQSZACIVSA-N 2 0 299.422 1.925 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052871048 789570748 /nfs/dbraw/zinc/57/07/48/789570748.db2.gz BXWYRQALZJOKGT-HNNXBMFYSA-N 2 0 289.423 1.076 20 30 CDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000876766682 789698308 /nfs/dbraw/zinc/69/83/08/789698308.db2.gz PWDCQXHHGKEXEN-OLZOCXBDSA-N 2 0 287.835 1.837 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001020801464 789788038 /nfs/dbraw/zinc/78/80/38/789788038.db2.gz DPFNNESZERIIBO-HDJSIYSDSA-N 2 0 299.846 1.708 20 30 CDEDRP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834493660 789805077 /nfs/dbraw/zinc/80/50/77/789805077.db2.gz GLNVUWVZUQPNGB-KBPBESRZSA-N 2 0 280.416 1.116 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC000996137845 789806419 /nfs/dbraw/zinc/80/64/19/789806419.db2.gz SHMSVGRAQKTHHS-CQSZACIVSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001095038510 912235907 /nfs/dbraw/zinc/23/59/07/912235907.db2.gz BYMZUYMSUCOSHN-ZNMIVQPWSA-N 2 0 289.423 1.237 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001088939426 912334742 /nfs/dbraw/zinc/33/47/42/912334742.db2.gz PMALTZURKYQPFP-CABCVRRESA-N 2 0 279.428 1.483 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CCCC)CC1 ZINC001567240197 1168636379 /nfs/dbraw/zinc/63/63/79/1168636379.db2.gz GFBSISDPWZOQCW-HNNXBMFYSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC001121944394 913277268 /nfs/dbraw/zinc/27/72/68/913277268.db2.gz QTHWDNNWSUJNMU-NEPJUHHUSA-N 2 0 253.390 1.174 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001175314783 913535747 /nfs/dbraw/zinc/53/57/47/913535747.db2.gz BOKQWAXSHZDKEW-GJZGRUSLSA-N 2 0 281.444 1.615 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001106255575 913733350 /nfs/dbraw/zinc/73/33/50/913733350.db2.gz YHXBIRUKXLPPLK-ZIAGYGMSSA-N 2 0 279.428 1.341 20 30 CDEDRP C#CC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397505423 895117666 /nfs/dbraw/zinc/11/76/66/895117666.db2.gz CTIHEZLSKIEBEJ-UHFFFAOYSA-N 2 0 258.365 1.236 20 30 CDEDRP C=CC[N@@H+](CCNC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001266596480 895500655 /nfs/dbraw/zinc/50/06/55/895500655.db2.gz GJMZOSMXXYKGTN-CYBMUJFWSA-N 2 0 253.390 1.093 20 30 CDEDRP C=CC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127351695 914012081 /nfs/dbraw/zinc/01/20/81/914012081.db2.gz MOTDZLHTQCXUGI-CQSZACIVSA-N 2 0 279.428 1.533 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106626977 914078886 /nfs/dbraw/zinc/07/88/86/914078886.db2.gz PZUMPBSYAKOQGI-BZUAXINKSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2ccnc2)C[C@H]1C ZINC001106712714 914171682 /nfs/dbraw/zinc/17/16/82/914171682.db2.gz IXLRPLAOHBTLLX-RBSFLKMASA-N 2 0 290.411 1.704 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001176844013 914269876 /nfs/dbraw/zinc/26/98/76/914269876.db2.gz DUHOZDAUFNWUHN-BETUJISGSA-N 2 0 287.835 1.708 20 30 CDEDRP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176991783 914419911 /nfs/dbraw/zinc/41/99/11/914419911.db2.gz DQMQRQURKRFLBL-OAHLLOKOSA-N 2 0 297.443 1.159 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994249989 914460302 /nfs/dbraw/zinc/46/03/02/914460302.db2.gz IBWDKNLQYBSGQZ-ZIAGYGMSSA-N 2 0 277.412 1.237 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001027693719 900743651 /nfs/dbraw/zinc/74/36/51/900743651.db2.gz HTHMYZHHIUHGDQ-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1CC ZINC001087773264 905841557 /nfs/dbraw/zinc/84/15/57/905841557.db2.gz CQFDAISRNPZVFS-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189391156 921454686 /nfs/dbraw/zinc/45/46/86/921454686.db2.gz WNGMEHRRHPEADB-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC001088709802 909183745 /nfs/dbraw/zinc/18/37/45/909183745.db2.gz XACNUPNCUVISON-DOMZBBRYSA-N 2 0 284.363 1.713 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001092735026 909502036 /nfs/dbraw/zinc/50/20/36/909502036.db2.gz NHXJLVHGDVPTNZ-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093195720 909682672 /nfs/dbraw/zinc/68/26/72/909682672.db2.gz UVGKPZLWOQQACD-QLFBSQMISA-N 2 0 279.428 1.198 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)CC[N@@H+](C)CCC ZINC001171725737 910900661 /nfs/dbraw/zinc/90/06/61/910900661.db2.gz OZCFBDBLFFOBHU-UHFFFAOYSA-N 2 0 269.433 1.780 20 30 CDEDRP C#CCN1CCN([C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171760191 910935249 /nfs/dbraw/zinc/93/52/49/910935249.db2.gz RUNSBTYLJVAUBY-HKUYNNGSSA-N 2 0 297.446 1.900 20 30 CDEDRP C[C@@H](CCCC#N)[NH2+]CCCN1CC[NH+](C)CC1 ZINC001172475782 911681541 /nfs/dbraw/zinc/68/15/41/911681541.db2.gz BONQREMPFYFCJA-AWEZNQCLSA-N 2 0 252.406 1.296 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001203355506 915153814 /nfs/dbraw/zinc/15/38/14/915153814.db2.gz YFTMSXJNKCATST-UHFFFAOYSA-N 2 0 277.412 1.239 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1C ZINC001178814708 915662173 /nfs/dbraw/zinc/66/21/73/915662173.db2.gz UXBYQFNFGMKPKJ-KKUMJFAQSA-N 2 0 299.434 1.821 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001179892242 916026861 /nfs/dbraw/zinc/02/68/61/916026861.db2.gz ZVQRYZGJDDJHQM-UHFFFAOYSA-N 2 0 293.455 1.618 20 30 CDEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001097848981 936393843 /nfs/dbraw/zinc/39/38/43/936393843.db2.gz YLPAFKNMLGDAFN-FPCVCCKLSA-N 2 0 289.423 1.216 20 30 CDEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001181931281 917481610 /nfs/dbraw/zinc/48/16/10/917481610.db2.gz URRLHKOHRDKZDK-HLLBOEOZSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001183040839 918267582 /nfs/dbraw/zinc/26/75/82/918267582.db2.gz YJVBSZDNNKXMTJ-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N(C(C)C)C(C)(C)C[NH3+] ZINC001183091585 918282158 /nfs/dbraw/zinc/28/21/58/918282158.db2.gz IZONQKYVCSRLET-UHFFFAOYSA-N 2 0 267.417 1.613 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001183392009 918468088 /nfs/dbraw/zinc/46/80/88/918468088.db2.gz VMLYHEFJIYBWRB-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001183867702 918744940 /nfs/dbraw/zinc/74/49/40/918744940.db2.gz IMGWHGLYOWFEED-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCC[NH+]1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001273487208 919174684 /nfs/dbraw/zinc/17/46/84/919174684.db2.gz FNQYPNCRSOHSFK-HNNXBMFYSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001184578195 919196896 /nfs/dbraw/zinc/19/68/96/919196896.db2.gz SGHQJDJJXTYNLJ-CABCVRRESA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1C ZINC001185335164 919555606 /nfs/dbraw/zinc/55/56/06/919555606.db2.gz APMXXWPJOHRGJX-GJZGRUSLSA-N 2 0 281.444 1.588 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001185535213 919664758 /nfs/dbraw/zinc/66/47/58/919664758.db2.gz BXNKDDMLPVLMNN-CABCVRRESA-N 2 0 279.428 1.036 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001185682997 919699964 /nfs/dbraw/zinc/69/99/64/919699964.db2.gz VOUAOBQWPOGYAO-CVEARBPZSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)n2ccnc2)C1 ZINC001185967925 919832708 /nfs/dbraw/zinc/83/27/08/919832708.db2.gz FNBAKFQIYGIMJR-HUUCEWRRSA-N 2 0 290.411 1.991 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071995846 936695914 /nfs/dbraw/zinc/69/59/14/936695914.db2.gz NZWQZCPVKZDSAK-LSDHHAIUSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001190774882 922189414 /nfs/dbraw/zinc/18/94/14/922189414.db2.gz AEJBVXANUJCVKQ-CABCVRRESA-N 2 0 279.428 1.129 20 30 CDEDRP C#CCC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001191030527 922359812 /nfs/dbraw/zinc/35/98/12/922359812.db2.gz URXSWUXOGJSUHZ-CQSZACIVSA-N 2 0 279.428 1.273 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCN2C)C1 ZINC001098760707 936760853 /nfs/dbraw/zinc/76/08/53/936760853.db2.gz HSFRMEMBMDRJBN-UXLLHSPISA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034207698 922541529 /nfs/dbraw/zinc/54/15/29/922541529.db2.gz NQXUYLHFTATWAS-JKSUJKDBSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192017370 922875681 /nfs/dbraw/zinc/87/56/81/922875681.db2.gz OQQAZHCBLVZARF-AWEZNQCLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193292630 923592552 /nfs/dbraw/zinc/59/25/52/923592552.db2.gz QIRUJRYOXGHGIZ-HNNXBMFYSA-N 2 0 281.444 1.827 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002335 924012105 /nfs/dbraw/zinc/01/21/05/924012105.db2.gz RHFNXEJYZHJWLN-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039175 924027279 /nfs/dbraw/zinc/02/72/79/924027279.db2.gz LDCQOMDBVLPEGR-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCCC[NH+]1CCCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001197922115 925270195 /nfs/dbraw/zinc/27/01/95/925270195.db2.gz HYPXSFJFOKFPBD-UHFFFAOYSA-N 2 0 281.444 1.829 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085092678 925647746 /nfs/dbraw/zinc/64/77/46/925647746.db2.gz LPTGUZBIFZSTNQ-ILXRZTDVSA-N 2 0 277.412 1.047 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001085319839 925882183 /nfs/dbraw/zinc/88/21/83/925882183.db2.gz RIABSMNKNOMOFG-HZPDHXFCSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001102496218 937061012 /nfs/dbraw/zinc/06/10/12/937061012.db2.gz KEPIYXVVMXWKKO-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP CC#CCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001085606328 926207003 /nfs/dbraw/zinc/20/70/03/926207003.db2.gz JVCPRIRWJBMIEL-HRCADAONSA-N 2 0 291.439 1.273 20 30 CDEDRP C[NH+]1CCN(c2cc(Nc3oncc3C#N)cc[nH+]2)CC1 ZINC001201651076 926375090 /nfs/dbraw/zinc/37/50/90/926375090.db2.gz LLIPYOPPINBIGH-UHFFFAOYSA-N 2 0 284.323 1.437 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001086119725 926721665 /nfs/dbraw/zinc/72/16/65/926721665.db2.gz YNYRSXXUJMWXBB-FZKCQIBNSA-N 2 0 289.423 1.121 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398109 937140229 /nfs/dbraw/zinc/14/02/29/937140229.db2.gz CWVCWCZCCXWQKZ-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001086499955 927215112 /nfs/dbraw/zinc/21/51/12/927215112.db2.gz GFTFVNHNQLNFOL-FPCVCCKLSA-N 2 0 289.423 1.121 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864186 937245956 /nfs/dbraw/zinc/24/59/56/937245956.db2.gz DTXXRWDWUCVYCC-HOCLYGCPSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001111875320 937247859 /nfs/dbraw/zinc/24/78/59/937247859.db2.gz XQHCNEXIWPZMPB-ZOBUZTSGSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112160182 937273635 /nfs/dbraw/zinc/27/36/35/937273635.db2.gz WXQATQHEMKYBKX-GHMZBOCLSA-N 2 0 293.333 1.103 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001109417741 928928744 /nfs/dbraw/zinc/92/87/44/928928744.db2.gz LSHAHMZXAHWCBS-FZKCQIBNSA-N 2 0 291.439 1.768 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001109733738 929020227 /nfs/dbraw/zinc/02/02/27/929020227.db2.gz DKAYIOVFPNDBLR-QPSCCSFWSA-N 2 0 279.428 1.624 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001152459112 937361705 /nfs/dbraw/zinc/36/17/05/937361705.db2.gz YWRVRGJBWYNOGS-CQSZACIVSA-N 2 0 267.417 1.533 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134606984 929813719 /nfs/dbraw/zinc/81/37/19/929813719.db2.gz CFASDGXBKHMMLL-ZIAGYGMSSA-N 2 0 279.428 1.367 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001152459139 937363823 /nfs/dbraw/zinc/36/38/23/937363823.db2.gz ZPFDCVSZGSEUHY-AWEZNQCLSA-N 2 0 267.417 1.533 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135391353 930182026 /nfs/dbraw/zinc/18/20/26/930182026.db2.gz RWJKHSKWIQGTSK-OLZOCXBDSA-N 2 0 267.417 1.387 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001135804809 930434418 /nfs/dbraw/zinc/43/44/18/930434418.db2.gz PMNZUZCXOXYGLM-KGLIPLIRSA-N 2 0 297.443 1.156 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135923820 930543432 /nfs/dbraw/zinc/54/34/32/930543432.db2.gz NRBGLCFDQIDGAK-ZIAGYGMSSA-N 2 0 285.432 1.014 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135979646 930578381 /nfs/dbraw/zinc/57/83/81/930578381.db2.gz IBWNOWCJOWXAPG-UONOGXRCSA-N 2 0 269.433 1.777 20 30 CDEDRP C[NH+]=C(NCC(C)(C)[NH+]1CCCCC1)NC1CC1 ZINC000103337578 931295255 /nfs/dbraw/zinc/29/52/55/931295255.db2.gz CWSSLHJYWYYFMU-UHFFFAOYSA-N 2 0 252.406 1.578 20 30 CDEDRP C[NH+]1CC2(C1)CC[NH+](Cc1cncc(C#N)c1)CC2 ZINC001144083534 931652371 /nfs/dbraw/zinc/65/23/71/931652371.db2.gz JJEFOGXCLWWFJD-UHFFFAOYSA-N 2 0 256.353 1.481 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ccnc1C ZINC001146331346 932234935 /nfs/dbraw/zinc/23/49/35/932234935.db2.gz AWDKLRUDQIDURW-OLZOCXBDSA-N 2 0 278.400 1.641 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001147466909 932511298 /nfs/dbraw/zinc/51/12/98/932511298.db2.gz ZAAYLLWTQPSASO-MRXNPFEDSA-N 2 0 287.407 1.409 20 30 CDEDRP C#CCC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001148656765 932760654 /nfs/dbraw/zinc/76/06/54/932760654.db2.gz CXGXAZPVWSIHJZ-UHFFFAOYSA-N 2 0 291.439 1.276 20 30 CDEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148626065 932764206 /nfs/dbraw/zinc/76/42/06/932764206.db2.gz WDYJSUSLDFHEQS-UHFFFAOYSA-N 2 0 291.439 1.276 20 30 CDEDRP C#CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)CCCCCC ZINC001155877906 937684800 /nfs/dbraw/zinc/68/48/00/937684800.db2.gz MQYFKBMWXDGBKQ-MRXNPFEDSA-N 2 0 295.471 1.958 20 30 CDEDRP CC#CC[NH2+]C1(CNC(=O)Cn2ccnc2)CCCCC1 ZINC001120248533 937788864 /nfs/dbraw/zinc/78/88/64/937788864.db2.gz BNWKTQILQFLNJU-UHFFFAOYSA-N 2 0 288.395 1.315 20 30 CDEDRP C[C@H](CC[NH2+]C[C@H](O)COc1ccc(C#N)cc1)[NH+](C)C ZINC001120580488 937813306 /nfs/dbraw/zinc/81/33/06/937813306.db2.gz AYGUQNXAQNZWQC-HIFRSBDPSA-N 2 0 291.395 1.228 20 30 CDEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001016977124 935628227 /nfs/dbraw/zinc/62/82/27/935628227.db2.gz RTAAVIBQDIQAHA-OAHLLOKOSA-N 2 0 289.423 1.076 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC001121911264 937889487 /nfs/dbraw/zinc/88/94/87/937889487.db2.gz RUXDEMQTMIWYBA-GJZGRUSLSA-N 2 0 281.444 1.908 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC001121995432 937897724 /nfs/dbraw/zinc/89/77/24/937897724.db2.gz UMGGQKFLPMABGE-XUXIUFHCSA-N 2 0 267.417 1.502 20 30 CDEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)CCC)C2)C1 ZINC001122106881 937906027 /nfs/dbraw/zinc/90/60/27/937906027.db2.gz UDQIBMSDEUTSJS-UHFFFAOYSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001122153594 937909378 /nfs/dbraw/zinc/90/93/78/937909378.db2.gz GFHKEBLZFKCQIC-GJZGRUSLSA-N 2 0 295.427 1.040 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC001122236171 937914580 /nfs/dbraw/zinc/91/45/80/937914580.db2.gz BTOZJGQNFUTWQA-AWEZNQCLSA-N 2 0 276.384 1.447 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157112994 938455657 /nfs/dbraw/zinc/45/56/57/938455657.db2.gz FHFRVIVCKJWUMM-CQSZACIVSA-N 2 0 267.417 1.177 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157886335 938557760 /nfs/dbraw/zinc/55/77/60/938557760.db2.gz GXEAEOBCOQVJNK-CYBMUJFWSA-N 2 0 253.390 1.141 20 30 CDEDRP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001157977809 938570380 /nfs/dbraw/zinc/57/03/80/938570380.db2.gz JUXTWRJSIASLNU-BZUAXINKSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160272811 938778178 /nfs/dbraw/zinc/77/81/78/938778178.db2.gz DTLLVJWQGFQXTN-OAHLLOKOSA-N 2 0 281.444 1.923 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001161644522 938916974 /nfs/dbraw/zinc/91/69/74/938916974.db2.gz OGRABKDWSQYBPE-OAHLLOKOSA-N 2 0 279.428 1.226 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001205420235 939889231 /nfs/dbraw/zinc/88/92/31/939889231.db2.gz KSIUBPAIGUXZRS-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001205490721 939893468 /nfs/dbraw/zinc/89/34/68/939893468.db2.gz VCPDISDVFTXRKN-INIZCTEOSA-N 2 0 295.471 1.977 20 30 CDEDRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1C#N ZINC001207109706 940151553 /nfs/dbraw/zinc/15/15/53/940151553.db2.gz SKYSOWYUOUTCMQ-UHFFFAOYSA-N 2 0 272.396 1.814 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207550930 940214271 /nfs/dbraw/zinc/21/42/71/940214271.db2.gz NUXYNFJWAZKMML-BPLDGKMQSA-N 2 0 279.428 1.339 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001208334516 940320715 /nfs/dbraw/zinc/32/07/15/940320715.db2.gz JGLOZLAYYBMQTI-HUUCEWRRSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208491761 940335067 /nfs/dbraw/zinc/33/50/67/940335067.db2.gz OUIUNAIVXMOAJA-HNNXBMFYSA-N 2 0 289.423 1.219 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208707976 940373098 /nfs/dbraw/zinc/37/30/98/940373098.db2.gz OLOHNWPXCBWHPC-MCIONIFRSA-N 2 0 267.417 1.339 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208749505 940382355 /nfs/dbraw/zinc/38/23/55/940382355.db2.gz RQQZTNDBEPIEIK-OAHLLOKOSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001209474133 940594758 /nfs/dbraw/zinc/59/47/58/940594758.db2.gz FLCYKNOWQCYBDV-HUUCEWRRSA-N 2 0 281.444 1.729 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001209588820 940613639 /nfs/dbraw/zinc/61/36/39/940613639.db2.gz KARKEZISDBRMLO-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211287049 940745106 /nfs/dbraw/zinc/74/51/06/940745106.db2.gz YURYCCJHXYLXRI-CQSZACIVSA-N 2 0 267.417 1.483 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)C[C@H]1C ZINC001215854463 940911229 /nfs/dbraw/zinc/91/12/29/940911229.db2.gz GBQRCTUKZHXZGR-UMVBOHGHSA-N 2 0 288.395 1.048 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001216507366 940942893 /nfs/dbraw/zinc/94/28/93/940942893.db2.gz WTDFBFMWGDZUOT-HUUCEWRRSA-N 2 0 279.428 1.178 20 30 CDEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cccc(CC#N)c1 ZINC001218987420 941297148 /nfs/dbraw/zinc/29/71/48/941297148.db2.gz GOLQFRCHSXJJSY-AWEZNQCLSA-N 2 0 274.368 1.408 20 30 CDEDRP N#C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001220095343 941411885 /nfs/dbraw/zinc/41/18/85/941411885.db2.gz WGDRCDYASGJLIT-IHRRRGAJSA-N 2 0 290.411 1.059 20 30 CDEDRP CC(C)C[C@@H](C#N)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220702787 941464739 /nfs/dbraw/zinc/46/47/39/941464739.db2.gz JQSOOZDTEXGVAA-KBPBESRZSA-N 2 0 282.432 1.536 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001221968163 941556230 /nfs/dbraw/zinc/55/62/30/941556230.db2.gz GLEBPCRTHPKQNG-ZIAGYGMSSA-N 2 0 265.401 1.047 20 30 CDEDRP CCCCCCCC[N@@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001222520334 941607266 /nfs/dbraw/zinc/60/72/66/941607266.db2.gz FYUVSGFUSHDKQE-KRWDZBQOSA-N 2 0 293.455 1.758 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001225582908 941884875 /nfs/dbraw/zinc/88/48/75/941884875.db2.gz VDUHFJNQEMVRFP-UHFFFAOYSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001227987386 942252184 /nfs/dbraw/zinc/25/21/84/942252184.db2.gz ZAPOKYGTWOOZJH-OAHLLOKOSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228377482 942307307 /nfs/dbraw/zinc/30/73/07/942307307.db2.gz UAIBSPWJCSXWKY-HUUCEWRRSA-N 2 0 281.444 1.921 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001230266621 942597769 /nfs/dbraw/zinc/59/77/69/942597769.db2.gz QQIILOPGJUMNMZ-HZPDHXFCSA-N 2 0 291.439 1.513 20 30 CDEDRP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235393934 944142036 /nfs/dbraw/zinc/14/20/36/944142036.db2.gz RWYNXPNCJGQOIY-MRXNPFEDSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH2+]CCN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001236442131 944498369 /nfs/dbraw/zinc/49/83/69/944498369.db2.gz WQDGGONCNZTYIJ-ZWKOTPCHSA-N 2 0 285.435 1.968 20 30 CDEDRP C#Cc1cccc(CN(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)c1 ZINC001236934298 944618119 /nfs/dbraw/zinc/61/81/19/944618119.db2.gz VHFUADXDXXCXCY-SFHVURJKSA-N 2 0 285.435 1.784 20 30 CDEDRP CCCCCCCC[C@H](O)CN(CC[NH3+])CC[NH3+] ZINC001246056996 947920072 /nfs/dbraw/zinc/92/00/72/947920072.db2.gz RAQWPDNSASUGEQ-AWEZNQCLSA-N 2 0 259.438 1.317 20 30 CDEDRP C=CCOCc1nn(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2c1C[NH2+]C2 ZINC001246703734 948411100 /nfs/dbraw/zinc/41/11/00/948411100.db2.gz RWJHZWKOPJXEHA-FUNVUKJBSA-N 2 0 288.395 1.644 20 30 CDEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CC[NH2+]CC1)CC2 ZINC001246735545 948424546 /nfs/dbraw/zinc/42/45/46/948424546.db2.gz UHHACYWNFGHYKK-KRWDZBQOSA-N 2 0 291.439 1.772 20 30 CDEDRP C=CC[N@H+](C1CCCCC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246944008 948533787 /nfs/dbraw/zinc/53/37/87/948533787.db2.gz AENVLPPHQLMAKC-HNNXBMFYSA-N 2 0 263.429 1.901 20 30 CDEDRP C#CCOC[C@@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001251897513 950931811 /nfs/dbraw/zinc/93/18/11/950931811.db2.gz ZDJUDSUJUDRTCS-KRWDZBQOSA-N 2 0 294.439 1.384 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001278653759 951163908 /nfs/dbraw/zinc/16/39/08/951163908.db2.gz OKYWBJQLGSTNKP-NVXWUHKLSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCOC[C@H](O)C[N@@H+](C)C1CC[NH+](CCCC)CC1 ZINC001252472227 951326325 /nfs/dbraw/zinc/32/63/25/951326325.db2.gz QDAPFRKKQUHPKA-MRXNPFEDSA-N 2 0 284.444 1.746 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001252496919 951373393 /nfs/dbraw/zinc/37/33/93/951373393.db2.gz GDSRRUQCKYTYFQ-MJBXVCDLSA-N 2 0 256.390 1.012 20 30 CDEDRP C=C[C@@H](COC)NC1CC[NH+](CC(C)(C)O)CC1 ZINC001332998522 958003961 /nfs/dbraw/zinc/00/39/61/958003961.db2.gz FZXFZEKRKQGGQO-LBPRGKRZSA-N 2 0 256.390 1.012 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001369399016 959664770 /nfs/dbraw/zinc/66/47/70/959664770.db2.gz JGVPZJMEOSKSBF-CHWSQXEVSA-N 2 0 287.835 1.660 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC001340296351 962870920 /nfs/dbraw/zinc/87/09/20/962870920.db2.gz HUSDPAAGETWKSV-HZPDHXFCSA-N 2 0 287.407 1.673 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001341435035 963412745 /nfs/dbraw/zinc/41/27/45/963412745.db2.gz QLENKDBGNLIXRU-MBNYWOFBSA-N 2 0 251.374 1.010 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001341715293 963520285 /nfs/dbraw/zinc/52/02/85/963520285.db2.gz TYLYFNHZNOGFSM-LSDHHAIUSA-N 2 0 279.428 1.614 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001439472019 963768787 /nfs/dbraw/zinc/76/87/87/963768787.db2.gz OGFQQVRSCAGBIN-CQSZACIVSA-N 2 0 299.846 1.565 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001347645389 965637423 /nfs/dbraw/zinc/63/74/23/965637423.db2.gz XZEOYJIAJNVFHT-UHFFFAOYSA-N 2 0 288.395 1.284 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001100674054 968925300 /nfs/dbraw/zinc/92/53/00/968925300.db2.gz KXNIPUFJOFILRD-HSBZDZAISA-N 2 0 265.401 1.141 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001499904486 974331363 /nfs/dbraw/zinc/33/13/63/974331363.db2.gz BYSLPLZKTMEVLQ-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001378582383 975403856 /nfs/dbraw/zinc/40/38/56/975403856.db2.gz TZPAEKDJAXFENC-CMPLNLGQSA-N 2 0 275.824 1.421 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001401176081 975495242 /nfs/dbraw/zinc/49/52/42/975495242.db2.gz RFDYGRMZLJJMKD-CYBMUJFWSA-N 2 0 299.846 1.852 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001391939537 977156308 /nfs/dbraw/zinc/15/63/08/977156308.db2.gz TZPAEKDJAXFENC-JQWIXIFHSA-N 2 0 275.824 1.421 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132410295 1163277354 /nfs/dbraw/zinc/27/73/54/1163277354.db2.gz LHJDVCDISJJKNR-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132410224 1163279275 /nfs/dbraw/zinc/27/92/75/1163279275.db2.gz KIZILYKQYUATLC-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001133064357 1163555325 /nfs/dbraw/zinc/55/53/25/1163555325.db2.gz MGPLSIQBKPONTF-LSDHHAIUSA-N 2 0 291.439 1.036 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133091904 1163569086 /nfs/dbraw/zinc/56/90/86/1163569086.db2.gz WBQHLQKNMYZSKH-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001133311220 1163630528 /nfs/dbraw/zinc/63/05/28/1163630528.db2.gz WEWIFJNLSAJBHW-HZPDHXFCSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001133315563 1163639189 /nfs/dbraw/zinc/63/91/89/1163639189.db2.gz UNWDBLFFWDUNND-JKSUJKDBSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415609 1163682038 /nfs/dbraw/zinc/68/20/38/1163682038.db2.gz HCKQJRBSORGNJI-LLVKDONJSA-N 2 0 261.797 1.031 20 30 CDEDRP C=CCNC(=O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000047978005 342150522 /nfs/dbraw/zinc/15/05/22/342150522.db2.gz SFLLYWWHOFYAOU-UHFFFAOYSA-N 2 0 267.417 1.342 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCC[NH+](C)C)CC1 ZINC000592340140 342685861 /nfs/dbraw/zinc/68/58/61/342685861.db2.gz UZQQNJGWGXIRQV-UHFFFAOYSA-N 2 0 282.432 1.278 20 30 CDEDRP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CCC[NH3+] ZINC000595257880 343013215 /nfs/dbraw/zinc/01/32/15/343013215.db2.gz AVXDWBSCWSUOQP-MGPQQGTHSA-N 2 0 280.416 1.374 20 30 CDEDRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598728198 343886634 /nfs/dbraw/zinc/88/66/34/343886634.db2.gz OTNRLQKVPZPQGI-UONOGXRCSA-N 2 0 267.417 1.609 20 30 CDEDRP CC[NH+]1CCN(CCC[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602594101 344482097 /nfs/dbraw/zinc/48/20/97/344482097.db2.gz RONXOVULVJIZID-HNNXBMFYSA-N 2 0 266.433 1.543 20 30 CDEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC3(CC#N)CC3)C2)CC1 ZINC000602785259 344599096 /nfs/dbraw/zinc/59/90/96/344599096.db2.gz OHTHMVLSWSFKQM-MRXNPFEDSA-N 2 0 290.455 1.781 20 30 CDEDRP C=CCNC(=[NH2+])NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000066244773 348977382 /nfs/dbraw/zinc/97/73/82/348977382.db2.gz KLNSWVKVRLBEIA-UHFFFAOYSA-N 2 0 286.423 1.914 20 30 CDEDRP CCN(CC)C(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000264096822 362965976 /nfs/dbraw/zinc/96/59/76/362965976.db2.gz MWNTTXTZDAYMJP-UHFFFAOYSA-N 2 0 262.401 1.905 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1sccc1C ZINC000264106084 362968307 /nfs/dbraw/zinc/96/83/07/362968307.db2.gz NVAOXXBCAZXYHQ-GFCCVEGCSA-N 2 0 280.441 1.945 20 30 CDEDRP COCCNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000264119742 362972381 /nfs/dbraw/zinc/97/23/81/362972381.db2.gz QPZTXXFRQXXAFD-HNNXBMFYSA-N 2 0 290.411 1.374 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)CC[C@@H](C)[NH3+])C(C)C ZINC000277496698 359562126 /nfs/dbraw/zinc/56/21/26/359562126.db2.gz OLPVJWVPVJKEMC-CABCVRRESA-N 2 0 281.444 1.929 20 30 CDEDRP C=CCOCCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000348039198 359790853 /nfs/dbraw/zinc/79/08/53/359790853.db2.gz TUHAKCIIAHNBKN-UHFFFAOYSA-N 2 0 283.460 1.537 20 30 CDEDRP C=CCn1cc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nn1 ZINC000644166556 364084216 /nfs/dbraw/zinc/08/42/16/364084216.db2.gz ZYIUNMWKTNBSKD-RRFJBIMHSA-N 2 0 275.400 1.474 20 30 CDEDRP C#Cc1ccc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000290517063 378381505 /nfs/dbraw/zinc/38/15/05/378381505.db2.gz XIUODPFJNAHOLR-HNNXBMFYSA-N 2 0 271.408 1.393 20 30 CDEDRP C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639144157 378791497 /nfs/dbraw/zinc/79/14/97/378791497.db2.gz HFZQQAYURHOKNJ-GOEBONIOSA-N 2 0 296.455 1.793 20 30 CDEDRP CN(CC[N@H+](C)CCCSCC#N)C1CC[NH+](C)CC1 ZINC000119718763 390640170 /nfs/dbraw/zinc/64/01/70/390640170.db2.gz VFMQRYZBPWVTOT-UHFFFAOYSA-N 2 0 298.500 1.591 20 30 CDEDRP C[C@H]([NH2+]C1(CNC(N)=[NH2+])CCOCC1)c1ccccc1 ZINC000304013619 391149834 /nfs/dbraw/zinc/14/98/34/391149834.db2.gz IMDUXWNRRGNLOX-LBPRGKRZSA-N 2 0 276.384 1.160 20 30 CDEDRP C=CCOCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000339059536 391248378 /nfs/dbraw/zinc/24/83/78/391248378.db2.gz LRCVJRJTCPPLCN-HOTGVXAUSA-N 2 0 281.444 1.147 20 30 CDEDRP C=CCN1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339066015 391248727 /nfs/dbraw/zinc/24/87/27/391248727.db2.gz AEPXHULYFNCDOJ-HOTGVXAUSA-N 2 0 263.429 1.853 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(C)C ZINC000649297198 391925173 /nfs/dbraw/zinc/92/51/73/391925173.db2.gz UVERJOQOWOYLJG-XUWVNRHRSA-N 2 0 291.439 1.267 20 30 CDEDRP N#Cc1cccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000237963165 131069097 /nfs/dbraw/zinc/06/90/97/131069097.db2.gz LPGGCNYTYGOOTC-KRWDZBQOSA-N 2 0 287.407 1.885 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660659462 413349752 /nfs/dbraw/zinc/34/97/52/413349752.db2.gz PPHWVHLXGLEJHY-GJZGRUSLSA-N 2 0 252.402 1.731 20 30 CDEDRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCC#N)CC1 ZINC000069896974 287086031 /nfs/dbraw/zinc/08/60/31/287086031.db2.gz MOZVPTBGYADIER-CYBMUJFWSA-N 2 0 253.390 1.315 20 30 CDEDRP C=CCCn1cc(CNC[C@H]2CC[N@@H+](C3CC3)C2)nn1 ZINC000657307658 414157047 /nfs/dbraw/zinc/15/70/47/414157047.db2.gz SKPSPNMSJZGFGH-CYBMUJFWSA-N 2 0 275.400 1.428 20 30 CDEDRP C=CCCn1cc(C[NH2+]CC2CC[NH+](C)CC2)nn1 ZINC000657348701 414211620 /nfs/dbraw/zinc/21/16/20/414211620.db2.gz FERVHGBSPXOAEC-UHFFFAOYSA-N 2 0 263.389 1.286 20 30 CDEDRP CCNC(=[NH2+])NCc1ccccc1C[NH+]1CCCC1 ZINC000264124217 262876150 /nfs/dbraw/zinc/87/61/50/262876150.db2.gz RWMACKSUWQLHQN-UHFFFAOYSA-N 2 0 260.385 1.707 20 30 CDEDRP CNC(=[NH2+])NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284056357 263085538 /nfs/dbraw/zinc/08/55/38/263085538.db2.gz PSLBSZJPNXLTQS-UHFFFAOYSA-N 2 0 276.384 1.194 20 30 CDEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N(C)CCC#N)C[C@H]1C ZINC000356999372 266228604 /nfs/dbraw/zinc/22/86/04/266228604.db2.gz BPUHODCCTXOJHU-CABCVRRESA-N 2 0 294.443 1.553 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@]1(C)CC[NH2+]C1)C(C)C ZINC000236669356 277849488 /nfs/dbraw/zinc/84/94/88/277849488.db2.gz ZZEXFEMZGXEPJL-DOTOQJQBSA-N 2 0 293.455 1.801 20 30 CDEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353392461 278261053 /nfs/dbraw/zinc/26/10/53/278261053.db2.gz ZPFPVAQYLQXKAU-KSSFIOAISA-N 2 0 298.434 1.771 20 30 CDEDRP CC#CCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000368649476 328939733 /nfs/dbraw/zinc/93/97/33/328939733.db2.gz FMXFGAOSOBYTQL-UHFFFAOYSA-N 2 0 264.413 1.834 20 30 CDEDRP CN(C)C(=[NH2+])NCC1([NH+]2CCSCC2)CCCCC1 ZINC000178576093 329200780 /nfs/dbraw/zinc/20/07/80/329200780.db2.gz BURMZYWFWMENOG-UHFFFAOYSA-N 2 0 284.473 1.614 20 30 CDEDRP COCCN1CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185801746 329329366 /nfs/dbraw/zinc/32/93/66/329329366.db2.gz AWDWOTDVLYACSH-HIFRSBDPSA-N 2 0 265.401 1.769 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCC1(SC)CC[NH+](C)CC1 ZINC000262259199 330003029 /nfs/dbraw/zinc/00/30/29/330003029.db2.gz DJOQCCJTYLKBEU-UHFFFAOYSA-N 2 0 270.446 1.294 20 30 CDEDRP C[C@H]1C[NH+]=C(NCC2([NH+]3CCSCC3)CCCC2)N1 ZINC000262202064 330003833 /nfs/dbraw/zinc/00/38/33/330003833.db2.gz AZOQIIGCJYFPAW-LBPRGKRZSA-N 2 0 282.457 1.285 20 30 CDEDRP C[NH+]=C(NCC1(C)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262343782 330007132 /nfs/dbraw/zinc/00/71/32/330007132.db2.gz CZCZMLCGCDXSSX-AWEZNQCLSA-N 2 0 278.444 1.780 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(C)CCCC[C@@H]1O ZINC000262430830 330010259 /nfs/dbraw/zinc/01/02/59/330010259.db2.gz OIIDFVLGJFDGNM-IJEWVQPXSA-N 2 0 296.459 1.316 20 30 CDEDRP CN1CC[NH+]=C1NCC1([NH+](C)C)CCCCCC1 ZINC000262661114 330025119 /nfs/dbraw/zinc/02/51/19/330025119.db2.gz MYIBWXVUBVVMNX-UHFFFAOYSA-N 2 0 252.406 1.532 20 30 CDEDRP CC[NH+]=C(NCC(C)C)N[C@H]1CCN(C2CC2)C1 ZINC000262828925 330034415 /nfs/dbraw/zinc/03/44/15/330034415.db2.gz UOGHUSUTDAOSES-LBPRGKRZSA-N 2 0 252.406 1.434 20 30 CDEDRP C=C(C)C[NH+]1CCC(N[C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422981197 330162418 /nfs/dbraw/zinc/16/24/18/330162418.db2.gz SFKRWVABJAXOFQ-UKRRQHHQSA-N 2 0 251.418 1.757 20 30 CDEDRP C=CC[C@H](CO)C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423014523 330165530 /nfs/dbraw/zinc/16/55/30/330165530.db2.gz INKBBMKFSAULPX-CWRNSKLLSA-N 2 0 262.397 1.719 20 30 CDEDRP C=C[C@H](CO)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423121361 330171174 /nfs/dbraw/zinc/17/11/74/330171174.db2.gz ILZSTJGUKFKGJS-IVMMDQJWSA-N 2 0 274.364 1.379 20 30 CDEDRP CCOC(=O)C1([C@H](C)[NH2+]CC(C)(C)CC#N)CC[NH2+]CC1 ZINC000423170332 330174449 /nfs/dbraw/zinc/17/44/49/330174449.db2.gz LQBMQSVLXWLVRH-ZDUSSCGKSA-N 2 0 295.427 1.837 20 30 CDEDRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424127600 330259488 /nfs/dbraw/zinc/25/94/88/330259488.db2.gz BDWQNAJUICINQT-KGLIPLIRSA-N 2 0 280.416 1.388 20 30 CDEDRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424131696 330263865 /nfs/dbraw/zinc/26/38/65/330263865.db2.gz JPXLNDJCAFFKCO-HUUCEWRRSA-N 2 0 294.443 1.636 20 30 CDEDRP CC1CC[NH+](CCCNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424144741 330290116 /nfs/dbraw/zinc/29/01/16/330290116.db2.gz XYYKXBVYOGPBOB-CQSZACIVSA-N 2 0 280.416 1.246 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000424153430 330299979 /nfs/dbraw/zinc/29/99/79/330299979.db2.gz IGDMPAPRHUFWDS-OAHLLOKOSA-N 2 0 288.395 1.385 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000490574046 332092291 /nfs/dbraw/zinc/09/22/91/332092291.db2.gz ACUXAXYFZFEETC-UHFFFAOYSA-N 2 0 279.428 1.036 20 30 CDEDRP C#CC(C)(C)N(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000491208886 332165928 /nfs/dbraw/zinc/16/59/28/332165928.db2.gz AFBGYQIRHRZQNK-UHFFFAOYSA-N 2 0 277.412 1.073 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])N1CCC(C)CC1 ZINC000491781785 332345801 /nfs/dbraw/zinc/34/58/01/332345801.db2.gz HFEIKIZYBFZFSO-UHFFFAOYSA-N 2 0 250.390 1.198 20 30 CDEDRP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000491789036 332351169 /nfs/dbraw/zinc/35/11/69/332351169.db2.gz YFOFGAMNNGVCMF-OAHLLOKOSA-N 2 0 294.443 1.115 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCC2(C[NH+](C)C2)CC1 ZINC001271953456 1160383242 /nfs/dbraw/zinc/38/32/42/1160383242.db2.gz FWSPEZYNHRKCQP-UHFFFAOYSA-N 2 0 277.412 1.193 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]([NH3+])[C@H](CC)C2)CC1 ZINC000669465243 483173138 /nfs/dbraw/zinc/17/31/38/483173138.db2.gz DGRGJIQKJSGHGU-HIFRSBDPSA-N 2 0 294.443 1.406 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667729471 483405577 /nfs/dbraw/zinc/40/55/77/483405577.db2.gz IKRSQIHFKKUUGU-UHFFFAOYSA-N 2 0 288.395 1.917 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874779 1161200444 /nfs/dbraw/zinc/20/04/44/1161200444.db2.gz SKMNOSCMEHQHOU-OWCLPIDISA-N 2 0 291.439 1.036 20 30 CDEDRP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001753731795 1185321165 /nfs/dbraw/zinc/32/11/65/1185321165.db2.gz AORLYLOKKRVEID-GJZGRUSLSA-N 2 0 279.428 1.224 20 30 CDEDRP C=CCNC(=O)C[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC000052209587 518887837 /nfs/dbraw/zinc/88/78/37/518887837.db2.gz WKODFALBPWLIIJ-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000764585830 575923521 /nfs/dbraw/zinc/92/35/21/575923521.db2.gz VYDMJQUYGJFIOW-OAHLLOKOSA-N 2 0 279.428 1.439 20 30 CDEDRP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000981334445 612957369 /nfs/dbraw/zinc/95/73/69/612957369.db2.gz LMPABSTYYXBHQT-HUUCEWRRSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972484952 613092729 /nfs/dbraw/zinc/09/27/29/613092729.db2.gz HQIZTDOBRAHUDU-JKSUJKDBSA-N 2 0 291.439 1.415 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC)CC[C@@H]2C)CC1 ZINC000968682829 613131126 /nfs/dbraw/zinc/13/11/26/613131126.db2.gz VLDLMJKBBQWWGJ-GOEBONIOSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000948775349 613161252 /nfs/dbraw/zinc/16/12/52/613161252.db2.gz GMSHGURNJHMNGI-HZPDHXFCSA-N 2 0 291.439 1.417 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000957343093 613256952 /nfs/dbraw/zinc/25/69/52/613256952.db2.gz VVNNAZFSEWDUIC-UHFFFAOYSA-N 2 0 277.412 1.193 20 30 CDEDRP C#CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000943333899 613258764 /nfs/dbraw/zinc/25/87/64/613258764.db2.gz KQDNPDLEMYCYBH-ZBFHGGJFSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977593780 613274117 /nfs/dbraw/zinc/27/41/17/613274117.db2.gz CTUXIOXAPKNZQZ-LSDHHAIUSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC000958414505 613280504 /nfs/dbraw/zinc/28/05/04/613280504.db2.gz GBGVEENMJSYKRJ-BARDWOONSA-N 2 0 277.412 1.093 20 30 CDEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000971641025 613289865 /nfs/dbraw/zinc/28/98/65/613289865.db2.gz KOTSTMHYGWPROS-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971544048 613290450 /nfs/dbraw/zinc/29/04/50/613290450.db2.gz WDMURQSUABKVAS-HOTGVXAUSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC000982306007 613293280 /nfs/dbraw/zinc/29/32/80/613293280.db2.gz DEQMXXYJCFNCQM-OIISXLGYSA-N 2 0 291.439 1.130 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC000962116603 613344430 /nfs/dbraw/zinc/34/44/30/613344430.db2.gz AEWOZKAKVBPMSL-QLPKVWCKSA-N 2 0 291.439 1.341 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000968912955 613348572 /nfs/dbraw/zinc/34/85/72/613348572.db2.gz YBOJOJMHKHMPNX-ZIAGYGMSSA-N 2 0 265.401 1.093 20 30 CDEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000969707116 613536927 /nfs/dbraw/zinc/53/69/27/613536927.db2.gz SWDGOBPGXHDJKL-CWRNSKLLSA-N 2 0 291.439 1.177 20 30 CDEDRP C=CCC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975052827 613554157 /nfs/dbraw/zinc/55/41/57/613554157.db2.gz RSVFVSIWMATDJH-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000962758052 613564472 /nfs/dbraw/zinc/56/44/72/613564472.db2.gz VFMAZROFPDPWJN-XUWVNRHRSA-N 2 0 291.439 1.483 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC000971711983 613627065 /nfs/dbraw/zinc/62/70/65/613627065.db2.gz HVWKMPFSLYLDTF-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000972734364 613628619 /nfs/dbraw/zinc/62/86/19/613628619.db2.gz XPYYUTBFUYWQGU-KGLIPLIRSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968460333 613766996 /nfs/dbraw/zinc/76/69/96/613766996.db2.gz SMCCKCTWFSBBGD-HOTGVXAUSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000961341120 613838859 /nfs/dbraw/zinc/83/88/59/613838859.db2.gz HUGJCRBKYZDJAP-FXUDXRNXSA-N 2 0 289.423 1.093 20 30 CDEDRP C[C@@H](CNC(=[NH2+])NCC1CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000104168008 620799566 /nfs/dbraw/zinc/79/95/66/620799566.db2.gz HFPCKEBIPVOMRW-OLZOCXBDSA-N 2 0 266.433 1.811 20 30 CDEDRP N#CC1(CCCC[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCC1 ZINC000903752450 626073793 /nfs/dbraw/zinc/07/37/93/626073793.db2.gz SPZUBSLBDSTTHD-MRXNPFEDSA-N 2 0 290.455 1.830 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000911765830 629482897 /nfs/dbraw/zinc/48/28/97/629482897.db2.gz ASUIWZOJKQFDNI-QWHCGFSZSA-N 2 0 253.390 1.271 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000917136687 632160691 /nfs/dbraw/zinc/16/06/91/632160691.db2.gz GCJVMRAVOSAQCF-UHFFFAOYSA-N 2 0 280.416 1.030 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129531585 1162479961 /nfs/dbraw/zinc/47/99/61/1162479961.db2.gz AJPHQKXTUGFNRG-ZDUSSCGKSA-N 2 0 267.417 1.531 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131789927 1163047203 /nfs/dbraw/zinc/04/72/03/1163047203.db2.gz BDPSFFGLXKAPKB-AWEZNQCLSA-N 2 0 265.401 1.143 20 30 CDEDRP C=CC1(CC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C[NH2+]C1 ZINC001574881096 1171036728 /nfs/dbraw/zinc/03/67/28/1171036728.db2.gz ZRTJNRACQIDFLQ-AWEZNQCLSA-N 2 0 277.412 1.239 20 30 CDEDRP COc1ccc(C[NH2+]CCOCCC[NH3+])cc1C#N ZINC001579216244 1172118051 /nfs/dbraw/zinc/11/80/51/1172118051.db2.gz JSWLPVLNSZEDRI-UHFFFAOYSA-N 2 0 263.341 1.022 20 30 CDEDRP N#Cc1cccc([C@H](O)C[NH+]2CCC3(C[NH2+]C3)CC2)c1 ZINC001580075715 1172344302 /nfs/dbraw/zinc/34/43/02/1172344302.db2.gz GCZKSSGMUOEOQI-OAHLLOKOSA-N 2 0 271.364 1.277 20 30 CDEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CCCC1 ZINC001716818657 1180424524 /nfs/dbraw/zinc/42/45/24/1180424524.db2.gz HUFYPSYLRAXLSC-JKSUJKDBSA-N 2 0 293.455 1.615 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001724779585 1181749020 /nfs/dbraw/zinc/74/90/20/1181749020.db2.gz UDNNQGGEIUFZCM-HZPDHXFCSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001753358289 1184444572 /nfs/dbraw/zinc/44/45/72/1184444572.db2.gz NRLWMKNIKJTFQG-CQSZACIVSA-N 2 0 290.411 1.617 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001753460316 1184545477 /nfs/dbraw/zinc/54/54/77/1184545477.db2.gz VSRBEFCIOJUEKN-CVEARBPZSA-N 2 0 291.439 1.274 20 30 CDEDRP CC#CC[N@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001752229976 1184838833 /nfs/dbraw/zinc/83/88/33/1184838833.db2.gz QGPZSYWUMADZBU-INIZCTEOSA-N 2 0 293.455 1.712 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001753130654 1185076872 /nfs/dbraw/zinc/07/68/72/1185076872.db2.gz XBXIBZKUDXWLLS-HUUCEWRRSA-N 2 0 299.434 1.681 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001753316409 1185150721 /nfs/dbraw/zinc/15/07/21/1185150721.db2.gz RFPKHKNNHWVXOT-OWCLPIDISA-N 2 0 293.455 1.826 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001753391895 1185183024 /nfs/dbraw/zinc/18/30/24/1185183024.db2.gz GCINLGTUOULACM-CYBMUJFWSA-N 2 0 277.412 1.237 20 30 CDEDRP C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001753487930 1185232460 /nfs/dbraw/zinc/23/24/60/1185232460.db2.gz MWZAHMITBMELPA-CABCVRRESA-N 2 0 281.444 1.921 20 30 CDEDRP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001753702490 1185308637 /nfs/dbraw/zinc/30/86/37/1185308637.db2.gz WZADDYRBYMMNEZ-CYBMUJFWSA-N 2 0 298.390 1.716 20 30 CDEDRP C=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001754138747 1185480503 /nfs/dbraw/zinc/48/05/03/1185480503.db2.gz VZZMEWPQSRHWJJ-WFVIONGDSA-N 2 0 277.412 1.451 20 30 CDEDRP C=CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001754311034 1185570868 /nfs/dbraw/zinc/57/08/68/1185570868.db2.gz NVIPVLYIBYILER-UONOGXRCSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CC[NH2+]CCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001754401438 1185608284 /nfs/dbraw/zinc/60/82/84/1185608284.db2.gz XNLNYVVKDMZRDG-OAHLLOKOSA-N 2 0 279.428 1.322 20 30 CDEDRP CC#CC[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001754721061 1185714068 /nfs/dbraw/zinc/71/40/68/1185714068.db2.gz YFDKBWJVTQQIIK-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP C=CCC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001755110888 1185819976 /nfs/dbraw/zinc/81/99/76/1185819976.db2.gz VFBBXOFFCJEPSM-KBPBESRZSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001755115166 1185821076 /nfs/dbraw/zinc/82/10/76/1185821076.db2.gz ZHEZUNHPYZRWBS-ZFWWWQNUSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001755123573 1185823574 /nfs/dbraw/zinc/82/35/74/1185823574.db2.gz RAQIXSRTQKWVIC-KBPBESRZSA-N 2 0 267.417 1.341 20 30 CDEDRP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001755194390 1185848933 /nfs/dbraw/zinc/84/89/33/1185848933.db2.gz UGNRZEBOZLGXNU-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001755213412 1185858274 /nfs/dbraw/zinc/85/82/74/1185858274.db2.gz FXTZUPSBBLCQOK-UYSNPLJNSA-N 2 0 293.455 1.777 20 30 CDEDRP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001755526181 1185979721 /nfs/dbraw/zinc/97/97/21/1185979721.db2.gz BTRWARTXWOKEOT-LSDHHAIUSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC1(C)C ZINC001755766162 1186061008 /nfs/dbraw/zinc/06/10/08/1186061008.db2.gz FFQPCCFYYVDFNF-CQSZACIVSA-N 2 0 281.444 1.729 20 30 CDEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](C#N)CCC#N ZINC001772050872 1187027690 /nfs/dbraw/zinc/02/76/90/1187027690.db2.gz MLCIMQAXDOAVMM-LSDHHAIUSA-N 2 0 277.416 1.046 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999379473 790402618 /nfs/dbraw/zinc/40/26/18/790402618.db2.gz YTKHIVAITUVVLA-UONOGXRCSA-N 2 0 299.846 1.660 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001019322827 790472104 /nfs/dbraw/zinc/47/21/04/790472104.db2.gz JWOUVLFQOGALAU-AWEZNQCLSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000855289593 790613612 /nfs/dbraw/zinc/61/36/12/790613612.db2.gz RVEZPCBJVOOJHS-OAHLLOKOSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001031766207 790670335 /nfs/dbraw/zinc/67/03/35/790670335.db2.gz CMWDKCXUHOPLDQ-HOTGVXAUSA-N 2 0 289.423 1.075 20 30 CDEDRP CC[N@H+](CCNC(=[NH+]C)N1CC[C@]2(CCOC2)C1)C(C)C ZINC000261960358 790802507 /nfs/dbraw/zinc/80/25/07/790802507.db2.gz JZFMLVUVNHRIAP-INIZCTEOSA-N 2 0 296.459 1.405 20 30 CDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[NH+]1CCC(C)CC1 ZINC000876723314 790889310 /nfs/dbraw/zinc/88/93/10/790889310.db2.gz SQXYWKIEUCTWSD-LBPRGKRZSA-N 2 0 273.808 1.304 20 30 CDEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000261873996 790930194 /nfs/dbraw/zinc/93/01/94/790930194.db2.gz PJFNRKXIAOQNAT-AWEZNQCLSA-N 2 0 282.432 1.190 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073426103 790945746 /nfs/dbraw/zinc/94/57/46/790945746.db2.gz QEXKUFCAJRRLRK-AWEZNQCLSA-N 2 0 277.412 1.049 20 30 CDEDRP C#C[C@@H](NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000849045495 790972098 /nfs/dbraw/zinc/97/20/98/790972098.db2.gz KSLNWLPZTJWRBA-HZPDHXFCSA-N 2 0 284.407 1.959 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)SC ZINC000305183873 791036039 /nfs/dbraw/zinc/03/60/39/791036039.db2.gz DBTDTWONIPRVOZ-WDEREUQCSA-N 2 0 258.435 1.127 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000996717491 791115881 /nfs/dbraw/zinc/11/58/81/791115881.db2.gz APSPXFDCDIATGF-OAHLLOKOSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001003775851 789866650 /nfs/dbraw/zinc/86/66/50/789866650.db2.gz BRNWENHXVVSWHK-HOTGVXAUSA-N 2 0 289.423 1.217 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000998763251 789867585 /nfs/dbraw/zinc/86/75/85/789867585.db2.gz NDQWCZYYDFOKPJ-NRXISQOPSA-N 2 0 279.428 1.624 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001016331836 789869062 /nfs/dbraw/zinc/86/90/62/789869062.db2.gz AJKHDBMBDYBSJJ-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052869514 789898359 /nfs/dbraw/zinc/89/83/59/789898359.db2.gz GXCXBIXODQAZTI-OAHLLOKOSA-N 2 0 291.439 1.629 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001044766242 789966787 /nfs/dbraw/zinc/96/67/87/789966787.db2.gz JNPHWZTURXINDN-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001028334068 789984984 /nfs/dbraw/zinc/98/49/84/789984984.db2.gz RFZSDAJWZSSOPN-QGZVFWFLSA-N 2 0 299.418 1.576 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027330982 789986217 /nfs/dbraw/zinc/98/62/17/789986217.db2.gz DJGJBHXTUSZECV-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000104178907 789990431 /nfs/dbraw/zinc/99/04/31/789990431.db2.gz WDRVCBPDCBQNQP-IHRRRGAJSA-N 2 0 298.475 1.682 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001001413197 790030408 /nfs/dbraw/zinc/03/04/08/790030408.db2.gz KEWLLKLXDGXTMC-MRXNPFEDSA-N 2 0 291.439 1.342 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001054664954 790067272 /nfs/dbraw/zinc/06/72/72/790067272.db2.gz ZDISHGRTOBLYFK-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP CC[NH+]=C(NCC[N@H+](C)C(C)C)N1CC[C@@]2(CCOC2)C1 ZINC000157953788 790130894 /nfs/dbraw/zinc/13/08/94/790130894.db2.gz RIBPBEIFGZAUII-MRXNPFEDSA-N 2 0 296.459 1.405 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC000928655503 791164514 /nfs/dbraw/zinc/16/45/14/791164514.db2.gz RRJTXEFLORAHJX-OAHLLOKOSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025782012 791165898 /nfs/dbraw/zinc/16/58/98/791165898.db2.gz VDPDNDUWAUDZAJ-SUJAAXHWSA-N 2 0 289.423 1.093 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000996855855 791277557 /nfs/dbraw/zinc/27/75/57/791277557.db2.gz ILVQPUVTSDMNOR-MRXNPFEDSA-N 2 0 291.439 1.627 20 30 CDEDRP C[C@@H](CNC(=[NH2+])NCC1CCC1)[N@@H+]1CCCC[C@@H]1C ZINC000261964237 791337777 /nfs/dbraw/zinc/33/77/77/791337777.db2.gz AOUTZNQXBHBODM-STQMWFEESA-N 2 0 266.433 1.954 20 30 CDEDRP C#CCN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000886662764 791395706 /nfs/dbraw/zinc/39/57/06/791395706.db2.gz LRSXRDKTTPDTIP-YLFCFFPRSA-N 2 0 275.440 1.546 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC000989392859 791662237 /nfs/dbraw/zinc/66/22/37/791662237.db2.gz XRHTWBDRCPMMGU-HIFRSBDPSA-N 2 0 279.428 1.483 20 30 CDEDRP C#C[C@@H](NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000849045496 791662753 /nfs/dbraw/zinc/66/27/53/791662753.db2.gz KSLNWLPZTJWRBA-JKSUJKDBSA-N 2 0 284.407 1.959 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCC)CC1 ZINC001028334244 791756794 /nfs/dbraw/zinc/75/67/94/791756794.db2.gz YXDWPEROEOXFRZ-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001041139477 791802353 /nfs/dbraw/zinc/80/23/53/791802353.db2.gz GZZULNQMZBTYOY-WBVHZDCISA-N 2 0 289.423 1.028 20 30 CDEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000304764663 791804990 /nfs/dbraw/zinc/80/49/90/791804990.db2.gz YIPRXLNLLHVSAR-KGLIPLIRSA-N 2 0 266.433 1.907 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033582765 791812305 /nfs/dbraw/zinc/81/23/05/791812305.db2.gz QMEOWEMTAIARLD-ZIAGYGMSSA-N 2 0 265.401 1.047 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000303908297 791833075 /nfs/dbraw/zinc/83/30/75/791833075.db2.gz XLDXHNMTGHILFW-UONOGXRCSA-N 2 0 284.448 1.438 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)[C@H]1C ZINC001074877751 791906779 /nfs/dbraw/zinc/90/67/79/791906779.db2.gz KIPINWLOFOXZKF-IHRRRGAJSA-N 2 0 265.401 1.236 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CC=CCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261936682 791947686 /nfs/dbraw/zinc/94/76/86/791947686.db2.gz CQNKEMUHMRFYRD-SQWLQELKSA-N 2 0 290.455 1.990 20 30 CDEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001041355863 792014151 /nfs/dbraw/zinc/01/41/51/792014151.db2.gz RQMJGVVMGWCAJL-MRXNPFEDSA-N 2 0 291.439 1.581 20 30 CDEDRP C[NH+](C)CCCN(CCC#N)C(=O)C1CC[NH+](C)CC1 ZINC000345112203 792205914 /nfs/dbraw/zinc/20/59/14/792205914.db2.gz MLXKFZQUPGFYSR-UHFFFAOYSA-N 2 0 280.416 1.022 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001072982081 792554288 /nfs/dbraw/zinc/55/42/88/792554288.db2.gz YVCLRKDZQVMMDP-LSDHHAIUSA-N 2 0 291.439 1.295 20 30 CDEDRP C#CC[NH2+]C1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001026560847 792812486 /nfs/dbraw/zinc/81/24/86/792812486.db2.gz GXCCUPNKOQLULU-NFOMZHRRSA-N 2 0 277.412 1.121 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001035723000 792901418 /nfs/dbraw/zinc/90/14/18/792901418.db2.gz CJOSATUMDMZHSP-UHFFFAOYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001035667877 792941662 /nfs/dbraw/zinc/94/16/62/792941662.db2.gz ABRDFOVGZZSUDB-CQSZACIVSA-N 2 0 277.412 1.191 20 30 CDEDRP C=CCNC(=[NH2+])NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000305234158 793160316 /nfs/dbraw/zinc/16/03/16/793160316.db2.gz ZXUSPMPOCRTWPZ-CYBMUJFWSA-N 2 0 252.406 1.445 20 30 CDEDRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(N=NC2=NCCN2)C3)cc1 ZINC000841659967 793165364 /nfs/dbraw/zinc/16/53/64/793165364.db2.gz DDNPMMMSMSVPSE-IYBDPMFKSA-N 2 0 297.406 1.718 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(OC)CCCCC1 ZINC000187039495 793356401 /nfs/dbraw/zinc/35/64/01/793356401.db2.gz RXCCUGCAUJOJNO-AWEZNQCLSA-N 2 0 296.459 1.724 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001028688091 793500004 /nfs/dbraw/zinc/50/00/04/793500004.db2.gz AQKDITLQUIXVEX-CYBMUJFWSA-N 2 0 284.363 1.572 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001005993112 793505898 /nfs/dbraw/zinc/50/58/98/793505898.db2.gz ZBMJDSIDICMMTG-AWEZNQCLSA-N 2 0 279.428 1.437 20 30 CDEDRP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873294536 793534044 /nfs/dbraw/zinc/53/40/44/793534044.db2.gz WGFZWGDFNMOCSA-RBSFLKMASA-N 2 0 277.412 1.817 20 30 CDEDRP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001028552434 793579870 /nfs/dbraw/zinc/57/98/70/793579870.db2.gz MXMSJVOIFBONIK-HRCADAONSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001022612895 793810611 /nfs/dbraw/zinc/81/06/11/793810611.db2.gz JCLBDCZPVDWCNK-OKILXGFUSA-N 2 0 291.395 1.768 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001001420550 793828298 /nfs/dbraw/zinc/82/82/98/793828298.db2.gz LFTOVDDBSQNDIZ-JKSUJKDBSA-N 2 0 291.439 1.178 20 30 CDEDRP CC1CC[NH+](CCCCNC(=[NH2+])N2CCSCC2)CC1 ZINC000303895407 793846789 /nfs/dbraw/zinc/84/67/89/793846789.db2.gz PLIVCNSZKWSHNK-UHFFFAOYSA-N 2 0 298.500 1.862 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001007377953 793853279 /nfs/dbraw/zinc/85/32/79/793853279.db2.gz ZUZRIAABTCVAAD-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001074562787 793946853 /nfs/dbraw/zinc/94/68/53/793946853.db2.gz HTEOWHGQRSTUKT-IHRRRGAJSA-N 2 0 265.401 1.236 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001072826195 794043889 /nfs/dbraw/zinc/04/38/89/794043889.db2.gz MDAHUSMBHYPWNF-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=C(Cl)CNC(N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)=[NH+]C ZINC000261806242 794200350 /nfs/dbraw/zinc/20/03/50/794200350.db2.gz RZEHEUSQCWQYAH-JOYOIKCWSA-N 2 0 270.808 1.387 20 30 CDEDRP CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001015052446 794231824 /nfs/dbraw/zinc/23/18/24/794231824.db2.gz LLHQUVAOJJJYIH-CVEARBPZSA-N 2 0 291.439 1.321 20 30 CDEDRP COCCN(C)[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000794971936 794270283 /nfs/dbraw/zinc/27/02/83/794270283.db2.gz WULWDJWAZLRXGB-UHFFFAOYSA-N 2 0 290.411 1.351 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001029003201 794295359 /nfs/dbraw/zinc/29/53/59/794295359.db2.gz INMLUDPUCYEGSJ-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001045639423 794314205 /nfs/dbraw/zinc/31/42/05/794314205.db2.gz KRPQTWUSQRUCHT-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000999350657 794345353 /nfs/dbraw/zinc/34/53/53/794345353.db2.gz ZZDUHLXKBWYXML-AWEZNQCLSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCC[N@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071997341 794381646 /nfs/dbraw/zinc/38/16/46/794381646.db2.gz YQPQDUVDRYHZGE-HUUCEWRRSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000989449530 794484918 /nfs/dbraw/zinc/48/49/18/794484918.db2.gz IPDVYJKDCYNVJA-UONOGXRCSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000883186050 794620335 /nfs/dbraw/zinc/62/03/35/794620335.db2.gz JOWHRJMVMJRSDG-ULQDDVLXSA-N 2 0 295.471 1.726 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001022076972 794730407 /nfs/dbraw/zinc/73/04/07/794730407.db2.gz GYMLJQNWPDLDQW-JONQDZQNSA-N 2 0 291.439 1.674 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C#CC1CC1 ZINC000837383398 794806592 /nfs/dbraw/zinc/80/65/92/794806592.db2.gz NLYZSSXPIUWOGH-INIZCTEOSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001000028812 794974918 /nfs/dbraw/zinc/97/49/18/794974918.db2.gz VMIGTTASZYFUAX-CQSZACIVSA-N 2 0 289.379 1.169 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC2CCC([NH2+]CC)CC2)CC1 ZINC001026609917 795040705 /nfs/dbraw/zinc/04/07/05/795040705.db2.gz ZEGBYSNYVXUDHI-UHFFFAOYSA-N 2 0 291.439 1.369 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000104168638 795056026 /nfs/dbraw/zinc/05/60/26/795056026.db2.gz GZXZQKKMFWQGTJ-ZIAGYGMSSA-N 2 0 266.433 1.835 20 30 CDEDRP C[C@H](CCNC(=[NH2+])NC[C@H]1CCCO1)[NH+]1CCCCC1 ZINC000181378425 795119093 /nfs/dbraw/zinc/11/90/93/795119093.db2.gz AEWJMTDRJPWIRH-ZIAGYGMSSA-N 2 0 282.432 1.334 20 30 CDEDRP CC#CCN1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001032053129 795390122 /nfs/dbraw/zinc/39/01/22/795390122.db2.gz PHKFEMUCVOGMMX-UHFFFAOYSA-N 2 0 299.418 1.433 20 30 CDEDRP C[NH+]=C(NC[C@@H](CC(C)C)[NH+]1CCCC1)NC1CC1 ZINC000303394726 795794520 /nfs/dbraw/zinc/79/45/20/795794520.db2.gz GOJUVNQEYMDETE-CQSZACIVSA-N 2 0 266.433 1.824 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015502784 795829478 /nfs/dbraw/zinc/82/94/78/795829478.db2.gz HJIQZEGNGGMPCJ-AWEZNQCLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033361067 795871421 /nfs/dbraw/zinc/87/14/21/795871421.db2.gz LCRYAVUENLCYEZ-SOUVJXGZSA-N 2 0 279.428 1.435 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+](C)C)CCC1 ZINC001032442848 795982374 /nfs/dbraw/zinc/98/23/74/795982374.db2.gz GAAKHZPWWWSXPK-GJZGRUSLSA-N 2 0 291.439 1.722 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001052716883 796021020 /nfs/dbraw/zinc/02/10/20/796021020.db2.gz QFPGZZISAJGKBT-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997012860 796061136 /nfs/dbraw/zinc/06/11/36/796061136.db2.gz YLGNMVITDPCWPP-HIFRSBDPSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C1CCC1 ZINC001039386847 796064583 /nfs/dbraw/zinc/06/45/83/796064583.db2.gz HQKSYMOLNQAODV-CVEARBPZSA-N 2 0 291.439 1.722 20 30 CDEDRP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033838867 796184883 /nfs/dbraw/zinc/18/48/83/796184883.db2.gz PCWFXSRXEQULFI-OWCLPIDISA-N 2 0 291.439 1.273 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995549169 796418920 /nfs/dbraw/zinc/41/89/20/796418920.db2.gz ACOVYLJSSBQMFC-ZIAGYGMSSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCOC1CCC(N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC001173320947 912420776 /nfs/dbraw/zinc/42/07/76/912420776.db2.gz ULFNBTIUXHFFRU-UHFFFAOYSA-N 2 0 297.487 1.925 20 30 CDEDRP N#CCC1CCC([NH+]2CCN(CC[NH3+])CC2)CC1 ZINC001173328251 912428573 /nfs/dbraw/zinc/42/85/73/912428573.db2.gz UOVWGYLHBSOFHK-UHFFFAOYSA-N 2 0 250.390 1.035 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001088984270 912440492 /nfs/dbraw/zinc/44/04/92/912440492.db2.gz QYKXUCCHGJHIBL-KGLIPLIRSA-N 2 0 277.412 1.237 20 30 CDEDRP CC1(C#N)CCC([NH+]2CCN(CCCC[NH3+])CC2)CC1 ZINC001173593087 912639760 /nfs/dbraw/zinc/63/97/60/912639760.db2.gz HTBIKKVRGFOUSX-UHFFFAOYSA-N 2 0 278.444 1.815 20 30 CDEDRP C[N@H+](CCN1CC[NH+](C)CC1)C1CCC(C)(C#N)CC1 ZINC001173598379 912642165 /nfs/dbraw/zinc/64/21/65/912642165.db2.gz QCPUSJGIAKWZBC-UHFFFAOYSA-N 2 0 278.444 1.638 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127255718 913196701 /nfs/dbraw/zinc/19/67/01/913196701.db2.gz LBXQHEVDSVEXQJ-QWHCGFSZSA-N 2 0 285.819 1.319 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001209659432 894802832 /nfs/dbraw/zinc/80/28/32/894802832.db2.gz DGUWQIYUHMDVAP-CQSZACIVSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001167237211 894933701 /nfs/dbraw/zinc/93/37/01/894933701.db2.gz XEIYZHRQHFPNSW-UHFFFAOYSA-N 2 0 293.455 1.780 20 30 CDEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001267130062 896881818 /nfs/dbraw/zinc/88/18/18/896881818.db2.gz CEDOTKDMHNXWSO-GJZGRUSLSA-N 2 0 279.428 1.369 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001105064509 899838851 /nfs/dbraw/zinc/83/88/51/899838851.db2.gz SIRGUTYQGOPMKF-HUUCEWRRSA-N 2 0 279.428 1.034 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176997066 914424668 /nfs/dbraw/zinc/42/46/68/914424668.db2.gz HVUUVQYPJOSIEQ-INIZCTEOSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001481347763 900469931 /nfs/dbraw/zinc/46/99/31/900469931.db2.gz ORTLCQNJVIIVMI-CQSZACIVSA-N 2 0 267.417 1.483 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087796919 905854978 /nfs/dbraw/zinc/85/49/78/905854978.db2.gz QTSURYUWTLCDJL-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001088327276 906902732 /nfs/dbraw/zinc/90/27/32/906902732.db2.gz JKITWJSGAMTTRO-HOTGVXAUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001168135659 907355925 /nfs/dbraw/zinc/35/59/25/907355925.db2.gz BAIPBZFPKZPLCO-CYBMUJFWSA-N 2 0 299.846 1.567 20 30 CDEDRP C#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H](C)C1 ZINC001092657974 909484393 /nfs/dbraw/zinc/48/43/93/909484393.db2.gz ATRLLRPMVHDNHW-OAGGEKHMSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1C ZINC001088817426 909615111 /nfs/dbraw/zinc/61/51/11/909615111.db2.gz PNAXPMWYUSAZLA-FZKCQIBNSA-N 2 0 291.439 1.319 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178925925 915673116 /nfs/dbraw/zinc/67/31/16/915673116.db2.gz NEMZGYXQQXMOSJ-XHSDSOJGSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)CCC[NH+](C)C ZINC001179403785 915826398 /nfs/dbraw/zinc/82/63/98/915826398.db2.gz VBIJBYUYOFCGPM-UHFFFAOYSA-N 2 0 281.444 1.618 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179482849 915851950 /nfs/dbraw/zinc/85/19/50/915851950.db2.gz YDDWNQQDRSMAFO-KKUMJFAQSA-N 2 0 281.444 1.872 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001179538864 915880838 /nfs/dbraw/zinc/88/08/38/915880838.db2.gz JJPZAGXPEJDUPN-PMPSAXMXSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001179591015 915888481 /nfs/dbraw/zinc/88/84/81/915888481.db2.gz NRAHTWFGNUTWND-JKSUJKDBSA-N 2 0 293.455 1.474 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCCCCCCC[NH+](C)C ZINC000303893631 935047306 /nfs/dbraw/zinc/04/73/06/935047306.db2.gz SANVWICYZBHDFG-UHFFFAOYSA-N 2 0 254.422 1.979 20 30 CDEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001181983824 917524947 /nfs/dbraw/zinc/52/49/47/917524947.db2.gz SOEQRLORDXRYQK-GJZGRUSLSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001182401688 917835642 /nfs/dbraw/zinc/83/56/42/917835642.db2.gz JYTOIUQTDPETRL-GDBMZVCRSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001183940538 918761720 /nfs/dbraw/zinc/76/17/20/918761720.db2.gz ZZCCAIGATNQZAT-OAHLLOKOSA-N 2 0 291.439 1.772 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001184557203 919192219 /nfs/dbraw/zinc/19/22/19/919192219.db2.gz UCWAIAFUOKQRMP-CABCVRRESA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCCCC[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273495359 919350126 /nfs/dbraw/zinc/35/01/26/919350126.db2.gz UWLXEUFDOBXHJL-KRWDZBQOSA-N 2 0 293.455 1.971 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001185052413 919380065 /nfs/dbraw/zinc/38/00/65/919380065.db2.gz MZNAYHIWRJDHIP-CABCVRRESA-N 2 0 291.439 1.036 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001185027967 919386319 /nfs/dbraw/zinc/38/63/19/919386319.db2.gz BMWMDMZWQKOFJA-CVEARBPZSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001185029923 919387505 /nfs/dbraw/zinc/38/75/05/919387505.db2.gz JJUHJDAWNGBNNR-CABCVRRESA-N 2 0 281.444 1.588 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001185199455 919474986 /nfs/dbraw/zinc/47/49/86/919474986.db2.gz LHIXUOIXXZJBSJ-CQSZACIVSA-N 2 0 289.379 1.169 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001185446968 919631775 /nfs/dbraw/zinc/63/17/75/919631775.db2.gz OTMQJXHSSLITJV-LSDHHAIUSA-N 2 0 279.428 1.036 20 30 CDEDRP Cc1ccc(C[N@H+](C)CCN2CC[NH+](C)CC2)cc1C#N ZINC001139726192 936639871 /nfs/dbraw/zinc/63/98/71/936639871.db2.gz YSTNLVIGPVBHIU-UHFFFAOYSA-N 2 0 286.423 1.546 20 30 CDEDRP C=CCC[NH2+][C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CC1(C)C ZINC001486247964 920838864 /nfs/dbraw/zinc/83/88/64/920838864.db2.gz QGDRDEYXRFUQFG-KBPBESRZSA-N 2 0 281.444 1.729 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001190899111 922284913 /nfs/dbraw/zinc/28/49/13/922284913.db2.gz HQDUIIPYWYOXEC-UONOGXRCSA-N 2 0 267.417 1.435 20 30 CDEDRP N#Cc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)nc1 ZINC001205571028 922761633 /nfs/dbraw/zinc/76/16/33/922761633.db2.gz RSPXTRGJIOVVHB-CQSZACIVSA-N 2 0 262.332 1.606 20 30 CDEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001192354208 923028875 /nfs/dbraw/zinc/02/88/75/923028875.db2.gz JLQOORCIUWLAPD-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001192354209 923030426 /nfs/dbraw/zinc/03/04/26/923030426.db2.gz JLQOORCIUWLAPD-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192924143 923344250 /nfs/dbraw/zinc/34/42/50/923344250.db2.gz XJOFWEKVWAKDQP-HOTGVXAUSA-N 2 0 293.455 1.519 20 30 CDEDRP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001079681342 924403034 /nfs/dbraw/zinc/40/30/34/924403034.db2.gz HYNHXRMYHIYJGQ-BZUAXINKSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001080552731 924593237 /nfs/dbraw/zinc/59/32/37/924593237.db2.gz IAXIEVLIBFYMQR-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP C[NH+](C)CCC[N@@H+]1CC[C@@]2(CCN(CCCC#N)C2=O)C1 ZINC001273711497 924797711 /nfs/dbraw/zinc/79/77/11/924797711.db2.gz DZNMKJZKVJAOQE-MRXNPFEDSA-N 2 0 292.427 1.166 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001410392809 925594396 /nfs/dbraw/zinc/59/43/96/925594396.db2.gz XQULGBOUFDVJBD-STQMWFEESA-N 2 0 289.851 1.762 20 30 CDEDRP CC#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001085589328 926196366 /nfs/dbraw/zinc/19/63/66/926196366.db2.gz JLRUOUFUFFXTNV-HZPDHXFCSA-N 2 0 291.439 1.415 20 30 CDEDRP C=CCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001085602893 926205753 /nfs/dbraw/zinc/20/57/53/926205753.db2.gz NTNFHFSIPSHLAB-SOUVJXGZSA-N 2 0 279.428 1.435 20 30 CDEDRP C=CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001085687606 926285872 /nfs/dbraw/zinc/28/58/72/926285872.db2.gz RJKYWXARZJFJRZ-JKSUJKDBSA-N 2 0 293.455 1.826 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001085988271 926572713 /nfs/dbraw/zinc/57/27/13/926572713.db2.gz YQLVIXAPJWNYRI-HZPDHXFCSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001142924079 937094513 /nfs/dbraw/zinc/09/45/13/937094513.db2.gz ZFFRGNIFGILLJI-HNNXBMFYSA-N 2 0 279.428 1.629 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001086119371 926722142 /nfs/dbraw/zinc/72/21/42/926722142.db2.gz KXKNBDCLJMAUDQ-QXSJWSMHSA-N 2 0 291.439 1.674 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001202473621 926744191 /nfs/dbraw/zinc/74/41/91/926744191.db2.gz LYMDDLPVZCQXBN-INIZCTEOSA-N 2 0 293.455 1.711 20 30 CDEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110663906 928011812 /nfs/dbraw/zinc/01/18/12/928011812.db2.gz FPXQTPVZEQJCCO-KFWWJZLASA-N 2 0 289.423 1.216 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009678 937262974 /nfs/dbraw/zinc/26/29/74/937262974.db2.gz OTSYQYYRNALAGS-RDJZCZTQSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001086533734 929097966 /nfs/dbraw/zinc/09/79/66/929097966.db2.gz YAYOEJGWYXLRHA-KLHDSHLOSA-N 2 0 293.455 1.777 20 30 CDEDRP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115243383 937338577 /nfs/dbraw/zinc/33/85/77/937338577.db2.gz MYHMJDICGUFXID-FOLVSLTJSA-N 2 0 277.412 1.095 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134606981 929815256 /nfs/dbraw/zinc/81/52/56/929815256.db2.gz CFASDGXBKHMMLL-KBPBESRZSA-N 2 0 279.428 1.367 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134892917 929947728 /nfs/dbraw/zinc/94/77/28/929947728.db2.gz QUQACKBYIOFXTA-KGLIPLIRSA-N 2 0 298.390 1.844 20 30 CDEDRP N#Cc1ccc(C(F)(F)F)nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170893600 930686954 /nfs/dbraw/zinc/68/69/54/930686954.db2.gz COPGJQOXZFWWAD-SECBINFHSA-N 2 0 273.262 1.408 20 30 CDEDRP N#Cc1cccc2c(N[C@@H]([NH3+])CCC[NH3+])nc(Cl)nc12 ZINC001170899184 930696205 /nfs/dbraw/zinc/69/62/05/930696205.db2.gz SIQHHWUUMUCKFX-SNVBAGLBSA-N 2 0 290.758 1.012 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153315048 937438570 /nfs/dbraw/zinc/43/85/70/937438570.db2.gz VQAMLOGSBPRUGK-UHFFFAOYSA-N 2 0 267.417 1.534 20 30 CDEDRP N#Cc1cc(Br)cc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001170906838 930720326 /nfs/dbraw/zinc/72/03/26/930720326.db2.gz XZUBMGPNWQLZMA-SECBINFHSA-N 2 0 284.161 1.151 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCF)CC1 ZINC001146614553 932271823 /nfs/dbraw/zinc/27/18/23/932271823.db2.gz YJEMASAPZPSSTI-ZIAGYGMSSA-N 2 0 297.418 1.174 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC)CC1 ZINC001146608957 932271954 /nfs/dbraw/zinc/27/19/54/932271954.db2.gz BKYBGEQBRYWVLN-KBPBESRZSA-N 2 0 279.428 1.224 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147301054 932456862 /nfs/dbraw/zinc/45/68/62/932456862.db2.gz LMPIDIFQDKWAGX-UHFFFAOYSA-N 2 0 293.455 1.780 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147894009 932621473 /nfs/dbraw/zinc/62/14/73/932621473.db2.gz XUNPRYTWSCRFLQ-ZDUSSCGKSA-N 2 0 253.390 1.000 20 30 CDEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174586 932660546 /nfs/dbraw/zinc/66/05/46/932660546.db2.gz QGAYPQNPMUOIEJ-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)CCC ZINC001148638725 932769225 /nfs/dbraw/zinc/76/92/25/932769225.db2.gz OXJXJMHVJUHSQL-ZDUSSCGKSA-N 2 0 255.406 1.389 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@]2(C)C1 ZINC001091788399 932881981 /nfs/dbraw/zinc/88/19/81/932881981.db2.gz YMEDBBJRAFXZOM-VYDXJSESSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C[C@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001253610808 935359707 /nfs/dbraw/zinc/35/97/07/935359707.db2.gz IWGIVDDROHYHBA-ZBFHGGJFSA-N 2 0 264.413 1.944 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)CC1CC[NH2+]CC1 ZINC001122567595 937942254 /nfs/dbraw/zinc/94/22/54/937942254.db2.gz UZGPPIJSHMDTRY-CYBMUJFWSA-N 2 0 253.390 1.128 20 30 CDEDRP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157893223 938558272 /nfs/dbraw/zinc/55/82/72/938558272.db2.gz BLTQYZKVMFCJEH-HNNXBMFYSA-N 2 0 297.443 1.158 20 30 CDEDRP C=C[C@@H](CO)Nc1cc(OC2CC[NH+](C)CC2)cc[nH+]1 ZINC001158818955 938666144 /nfs/dbraw/zinc/66/61/44/938666144.db2.gz MYOVSIQVNNBOEV-LBPRGKRZSA-N 2 0 277.368 1.513 20 30 CDEDRP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001158922830 938678612 /nfs/dbraw/zinc/67/86/12/938678612.db2.gz IYCRWTNQMJDZKD-OAHLLOKOSA-N 2 0 281.444 1.826 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001159900913 938759526 /nfs/dbraw/zinc/75/95/26/938759526.db2.gz DCFVQAMFPMVTPD-AWEZNQCLSA-N 2 0 267.417 1.531 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160426044 938786183 /nfs/dbraw/zinc/78/61/83/938786183.db2.gz CNQADKKAOTTYFQ-ZDUSSCGKSA-N 2 0 255.406 1.245 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163224335 939228962 /nfs/dbraw/zinc/22/89/62/939228962.db2.gz SZABOZPPPHJTEF-OAHLLOKOSA-N 2 0 279.428 1.533 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001164449402 939473832 /nfs/dbraw/zinc/47/38/32/939473832.db2.gz KHRYNSLYFLYOAM-CQSZACIVSA-N 2 0 267.417 1.390 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001166634912 939621162 /nfs/dbraw/zinc/62/11/62/939621162.db2.gz YHIMFEYWOOIPHL-LBPRGKRZSA-N 2 0 273.808 1.319 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166971140 939663948 /nfs/dbraw/zinc/66/39/48/939663948.db2.gz IYNBDMDXWDFARU-UHFFFAOYSA-N 2 0 253.390 1.000 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205242492 939841890 /nfs/dbraw/zinc/84/18/90/939841890.db2.gz PJEYRLRIBYJNPY-MRXNPFEDSA-N 2 0 293.455 1.873 20 30 CDEDRP CCc1cc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)ccc1C#N ZINC001205735292 939929425 /nfs/dbraw/zinc/92/94/25/939929425.db2.gz MPASVTWKZVQTLT-KRWDZBQOSA-N 2 0 287.407 1.796 20 30 CDEDRP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001209562699 940607974 /nfs/dbraw/zinc/60/79/74/940607974.db2.gz WGWWOLNNBDTNSL-HZPDHXFCSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210796489 940714195 /nfs/dbraw/zinc/71/41/95/940714195.db2.gz HSFDJWSVEDIRKC-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211268305 940744771 /nfs/dbraw/zinc/74/47/71/940744771.db2.gz HZUIFJKNUGZLIQ-CYBMUJFWSA-N 2 0 287.835 1.660 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214611055 940833057 /nfs/dbraw/zinc/83/30/57/940833057.db2.gz MQLAFTAGKVZHQB-OAGGEKHMSA-N 2 0 291.439 1.319 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001215778360 940907577 /nfs/dbraw/zinc/90/75/77/940907577.db2.gz IBRNCNVHKCHUFW-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216226534 940930194 /nfs/dbraw/zinc/93/01/94/940930194.db2.gz WVNKSLMOQYRDCD-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216406007 940937234 /nfs/dbraw/zinc/93/72/34/940937234.db2.gz VYMXPGIZZYMNPJ-HUUCEWRRSA-N 2 0 291.439 1.485 20 30 CDEDRP CCCCCCCNC(=O)NCCC[NH2+]CCCC[NH3+] ZINC001239252621 945366633 /nfs/dbraw/zinc/36/66/33/945366633.db2.gz HQXXZSGDLPCJCY-UHFFFAOYSA-N 2 0 286.464 1.975 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc2c[nH+]cn2c1C ZINC001523876224 970774723 /nfs/dbraw/zinc/77/47/23/970774723.db2.gz XQUMNRGMFRNMHW-OAHLLOKOSA-N 2 0 297.358 1.897 20 30 CDEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001221972923 941556986 /nfs/dbraw/zinc/55/69/86/941556986.db2.gz PLCXZJAJRYPVMZ-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001223374965 941673984 /nfs/dbraw/zinc/67/39/84/941673984.db2.gz WORKJCNKEHYXFR-OAHLLOKOSA-N 2 0 297.418 1.128 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001225207412 941830482 /nfs/dbraw/zinc/83/04/82/941830482.db2.gz QHHCGICTOOHQCY-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001225541991 941876868 /nfs/dbraw/zinc/87/68/68/941876868.db2.gz FTFWITCGXDKLQF-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001226922103 942094621 /nfs/dbraw/zinc/09/46/21/942094621.db2.gz MFYIENOTSXERLB-OAGGEKHMSA-N 2 0 293.455 1.613 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001229525219 942488119 /nfs/dbraw/zinc/48/81/19/942488119.db2.gz YOVRPAFSOFOUAY-HUUCEWRRSA-N 2 0 281.444 1.921 20 30 CDEDRP C[NH+](C)CC1CC[NH+](Cc2cc(C#N)ccn2)CC1 ZINC001232481032 943294464 /nfs/dbraw/zinc/29/44/64/943294464.db2.gz RBIBUUOZASJECZ-UHFFFAOYSA-N 2 0 258.369 1.727 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235336098 944127243 /nfs/dbraw/zinc/12/72/43/944127243.db2.gz NJLMVLSSGFEIQS-HZPDHXFCSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CCN1C(=O)CCC12CC[NH+](CCCC[NH3+])CC2 ZINC001235520459 944183729 /nfs/dbraw/zinc/18/37/29/944183729.db2.gz QEASTFIXHQMJQR-UHFFFAOYSA-N 2 0 265.401 1.368 20 30 CDEDRP C=CC[NH2+]CCN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001235791728 944275972 /nfs/dbraw/zinc/27/59/72/944275972.db2.gz CFGHDNOIMIKVKO-MSOLQXFVSA-N 2 0 285.435 1.968 20 30 CDEDRP N#Cc1cc(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])ccc1Cl ZINC001236002231 944371801 /nfs/dbraw/zinc/37/18/01/944371801.db2.gz RZTBWKCHPIHGSC-NNQSOWQGSA-N 2 0 291.782 1.617 20 30 CDEDRP C=CC[NH2+]CCN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001236442129 944498077 /nfs/dbraw/zinc/49/80/77/944498077.db2.gz WQDGGONCNZTYIJ-QZTJIDSGSA-N 2 0 285.435 1.968 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266236070 944774945 /nfs/dbraw/zinc/77/49/45/944774945.db2.gz CAZCNGLHQGJMSL-LSDHHAIUSA-N 2 0 281.444 1.729 20 30 CDEDRP C#Cc1cccc(-c2cn(CCCC[NH2+]CCC[NH3+])nn2)c1 ZINC001254163591 947317319 /nfs/dbraw/zinc/31/73/19/947317319.db2.gz SGRWPSYVTPFVNC-UHFFFAOYSA-N 2 0 297.406 1.645 20 30 CDEDRP N#Cc1cccc(-c2cn(CCCC[NH2+]CCC[NH3+])nn2)c1 ZINC001254163660 947317849 /nfs/dbraw/zinc/31/78/49/947317849.db2.gz VKTIWXIMYAHTQS-UHFFFAOYSA-N 2 0 298.394 1.535 20 30 CDEDRP C=CCCCCCC[C@H](O)C[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246011606 947890736 /nfs/dbraw/zinc/89/07/36/947890736.db2.gz XOFLCGAIGYQCAK-KBPBESRZSA-N 2 0 252.402 1.825 20 30 CDEDRP CCCCCCCC[C@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC001246049742 947918572 /nfs/dbraw/zinc/91/85/72/947918572.db2.gz SQJMAVDVXFCEIT-KRWDZBQOSA-N 2 0 299.503 1.935 20 30 CDEDRP N#CC1CCC([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001246152464 947994051 /nfs/dbraw/zinc/99/40/51/947994051.db2.gz YYDVCYMCFXFRKF-NRXISQOPSA-N 2 0 276.428 1.533 20 30 CDEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001246304770 948093845 /nfs/dbraw/zinc/09/38/45/948093845.db2.gz LJBGOIFQZDWPJL-WDNDVIMCSA-N 2 0 287.363 1.177 20 30 CDEDRP C=C1C[C@@H]2CC([NH+]3CCN(CC[NH3+])CC3)C[C@H](C1)C2 ZINC001257886641 948652826 /nfs/dbraw/zinc/65/28/26/948652826.db2.gz LRZADNGNVZGSGW-XYPWUTKMSA-N 2 0 263.429 1.698 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001252604620 951500671 /nfs/dbraw/zinc/50/06/71/951500671.db2.gz VYQCWIFLMUIRLL-MRXNPFEDSA-N 2 0 275.396 1.839 20 30 CDEDRP C=C[C@@H](O)CN1CCc2c(C[N@@H+](C)C(C)C)[nH]nc2C1 ZINC001253576311 951963932 /nfs/dbraw/zinc/96/39/32/951963932.db2.gz LXDNXVOHSQMVOE-GFCCVEGCSA-N 2 0 278.400 1.155 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001423291895 956710510 /nfs/dbraw/zinc/71/05/10/956710510.db2.gz GCBAKNRURGHWLL-GFCCVEGCSA-N 2 0 287.835 1.564 20 30 CDEDRP C=CC[N@@H+](C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001332710774 957681281 /nfs/dbraw/zinc/68/12/81/957681281.db2.gz KOMVLMQXFWFLBN-CQSZACIVSA-N 2 0 269.433 1.681 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001318365441 958058699 /nfs/dbraw/zinc/05/86/99/958058699.db2.gz BCEDYXMRYRIXTB-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001320022377 958875009 /nfs/dbraw/zinc/87/50/09/958875009.db2.gz VULMZJZJSPWSRN-CYBMUJFWSA-N 2 0 255.406 1.293 20 30 CDEDRP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC001335369597 959750994 /nfs/dbraw/zinc/75/09/94/959750994.db2.gz WYDJRZUHMVDDOE-STQMWFEESA-N 2 0 253.390 1.219 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001437203396 962735663 /nfs/dbraw/zinc/73/56/63/962735663.db2.gz IAEAIPMQGVGLEV-GFCCVEGCSA-N 2 0 289.851 1.811 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC001340296943 962867684 /nfs/dbraw/zinc/86/76/84/962867684.db2.gz LHFSWCAENJPISG-CHWSQXEVSA-N 2 0 253.390 1.400 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001341715292 963520622 /nfs/dbraw/zinc/52/06/22/963520622.db2.gz TYLYFNHZNOGFSM-HUUCEWRRSA-N 2 0 279.428 1.614 20 30 CDEDRP C=C(C)C[NH+]1CCC(Nc2nccnc2C[NH3+])CC1 ZINC001347981343 965777674 /nfs/dbraw/zinc/77/76/74/965777674.db2.gz QALUGLQFFLSVDB-UHFFFAOYSA-N 2 0 261.373 1.388 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001100383409 968183594 /nfs/dbraw/zinc/18/35/94/968183594.db2.gz ZUXIZIYEJJIPOE-UYSNPLJNSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001100617274 968803098 /nfs/dbraw/zinc/80/30/98/968803098.db2.gz MENNPTVLOFXMOW-UHFFFAOYSA-N 2 0 299.846 1.565 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001100617509 968803580 /nfs/dbraw/zinc/80/35/80/968803580.db2.gz YTWAYHJHYDOMRU-UHFFFAOYSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001495560323 972538610 /nfs/dbraw/zinc/53/86/10/972538610.db2.gz KCFGZCFLVWQYIH-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](CC)[NH+](C)C ZINC001401243765 975540022 /nfs/dbraw/zinc/54/00/22/975540022.db2.gz POYUGGFYBHHSIC-RYUDHWBXSA-N 2 0 275.824 1.516 20 30 CDEDRP C=CC[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132368013 1163253069 /nfs/dbraw/zinc/25/30/69/1163253069.db2.gz HPHQNVNCRUGCAQ-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001132739832 1163461568 /nfs/dbraw/zinc/46/15/68/1163461568.db2.gz WCGPFZVUWSADKY-HNNXBMFYSA-N 2 0 281.444 1.780 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001133072950 1163552033 /nfs/dbraw/zinc/55/20/33/1163552033.db2.gz NKWCKRAVBZMXNS-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001570901896 1170316915 /nfs/dbraw/zinc/31/69/15/1170316915.db2.gz IOCSLVVELGPQAC-HUUCEWRRSA-N 2 0 295.471 1.975 20 30 CDEDRP CC[NH2+]Cc1ccccc1NC(=O)NCC#CC[NH+](C)C ZINC001577878293 1171756682 /nfs/dbraw/zinc/75/66/82/1171756682.db2.gz HXTRDAOELJAFND-UHFFFAOYSA-N 2 0 288.395 1.483 20 30 CDEDRP C[C@H](CC#N)NCc1ccc(CN2CCOCC2)cc1 ZINC000609030378 342087662 /nfs/dbraw/zinc/08/76/62/342087662.db2.gz DLACPQYLPZZFIL-CQSZACIVSA-N 2 0 273.380 1.911 20 30 CDEDRP C[NH+](C)CCCN(CCC#N)C(=O)C[N@H+](C)C1CCC1 ZINC000600826247 342251825 /nfs/dbraw/zinc/25/18/25/342251825.db2.gz YBMNIDAFYWSCAT-UHFFFAOYSA-N 2 0 280.416 1.165 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000595959999 343196382 /nfs/dbraw/zinc/19/63/82/343196382.db2.gz RMWXKYQXOPVZKK-BFHYXJOUSA-N 2 0 278.400 1.141 20 30 CDEDRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000595936201 343201848 /nfs/dbraw/zinc/20/18/48/343201848.db2.gz NWZUDCHCWGIGHA-QWHCGFSZSA-N 2 0 280.416 1.244 20 30 CDEDRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598592190 343838062 /nfs/dbraw/zinc/83/80/62/343838062.db2.gz HLHHTUIASBIBJH-QWHCGFSZSA-N 2 0 253.390 1.171 20 30 CDEDRP C[NH+](C)CC1(C[NH2+]C[C@H](O)CC(C)(C)C#N)CCCC1 ZINC000598722822 343884631 /nfs/dbraw/zinc/88/46/31/343884631.db2.gz BKCUPJPJZCAMDF-CQSZACIVSA-N 2 0 281.444 1.999 20 30 CDEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000598724406 343885258 /nfs/dbraw/zinc/88/52/58/343885258.db2.gz OSEAEGZUCORVJB-CQSZACIVSA-N 2 0 281.444 1.999 20 30 CDEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000598729765 343888124 /nfs/dbraw/zinc/88/81/24/343888124.db2.gz MXFWQQISGZULSY-HUUCEWRRSA-N 2 0 297.443 1.114 20 30 CDEDRP C[C@@H](CCC#N)C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000602542470 344460237 /nfs/dbraw/zinc/46/02/37/344460237.db2.gz YHHIBOTVLWAHET-GJZGRUSLSA-N 2 0 266.433 1.399 20 30 CDEDRP COc1cc(CN2CCC([NH2+]CCO)CC2)ccc1C#N ZINC000602024030 350045982 /nfs/dbraw/zinc/04/59/82/350045982.db2.gz ZJYNJBKZKPGNRS-UHFFFAOYSA-N 2 0 289.379 1.113 20 30 CDEDRP CCNC(=[NH2+])NCc1ccc(OCC[NH+](CC)CC)cc1 ZINC000264086916 362962870 /nfs/dbraw/zinc/96/28/70/362962870.db2.gz JSMQRTFLXAXSNP-UHFFFAOYSA-N 2 0 292.427 1.831 20 30 CDEDRP N#Cc1csc(C[NH2+]CCCN2CCC[C@H]2C(N)=O)c1 ZINC000344220680 356965360 /nfs/dbraw/zinc/96/53/60/356965360.db2.gz USVXSXSUTGGPFQ-ZDUSSCGKSA-N 2 0 292.408 1.049 20 30 CDEDRP C#C[C@](C)(CC)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000328597261 359071292 /nfs/dbraw/zinc/07/12/92/359071292.db2.gz GHEUEAINMLFRGE-MRXNPFEDSA-N 2 0 265.445 1.794 20 30 CDEDRP C[C@@H](C(=O)NC1(C#N)CCC1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000562300117 361235781 /nfs/dbraw/zinc/23/57/81/361235781.db2.gz FWXLBSNHJLUZQW-UONOGXRCSA-N 2 0 292.427 1.211 20 30 CDEDRP CC[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000575242505 361264908 /nfs/dbraw/zinc/26/49/08/361264908.db2.gz CRPRFQDAXHFZOB-OAHLLOKOSA-N 2 0 286.379 1.031 20 30 CDEDRP Cn1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C#N ZINC000248829889 367406573 /nfs/dbraw/zinc/40/65/73/367406573.db2.gz IBABFRCJZLLMNF-HOCLYGCPSA-N 2 0 272.396 1.813 20 30 CDEDRP C=CCN1CC[C@@H]([N@H+](CCC[NH3+])CC2CCCC2)C1=O ZINC000420313930 376327366 /nfs/dbraw/zinc/32/73/66/376327366.db2.gz KKCZYKNWQUDGEZ-OAHLLOKOSA-N 2 0 279.428 1.614 20 30 CDEDRP CCN(CCC#N)C(=O)CN1CC[C@H](C[N@H+](C)CC)C1 ZINC000072858476 376811468 /nfs/dbraw/zinc/81/14/68/376811468.db2.gz CVWAXNJYWLXZCB-CQSZACIVSA-N 2 0 280.416 1.022 20 30 CDEDRP C[NH+]=C(NCc1cccc(OCC[NH+](C)C)c1)NC1CC1 ZINC000103338012 390476404 /nfs/dbraw/zinc/47/64/04/390476404.db2.gz TXBWGDOIRDOEAU-UHFFFAOYSA-N 2 0 290.411 1.454 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000237594338 390857551 /nfs/dbraw/zinc/85/75/51/390857551.db2.gz GCFKKOMZBQDVJE-CQSZACIVSA-N 2 0 293.455 1.779 20 30 CDEDRP C[C@H](CNC(=[NH2+])N(C)C1CC1)N1CCc2sccc2C1 ZINC000262162406 391029045 /nfs/dbraw/zinc/02/90/45/391029045.db2.gz BEENISBKTFBUHT-LLVKDONJSA-N 2 0 292.452 1.904 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NCC(C)(C)[NH3+])C(C)C ZINC000417070771 391340750 /nfs/dbraw/zinc/34/07/50/391340750.db2.gz VTALLLWYZZQXPY-CQSZACIVSA-N 2 0 296.459 1.722 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)CC[NH2+]C)C(C)C ZINC000285784103 391720554 /nfs/dbraw/zinc/72/05/54/391720554.db2.gz NSMWBITVUDJYCW-AWEZNQCLSA-N 2 0 267.417 1.411 20 30 CDEDRP CC(C)[N@H+](C)Cc1ccccc1CNC1=[NH+]CCN1C ZINC000262636453 391804782 /nfs/dbraw/zinc/80/47/82/391804782.db2.gz GZFPWKKZCXJLEI-UHFFFAOYSA-N 2 0 274.412 1.918 20 30 CDEDRP C=CC[C@@H]1CCCN(C(=O)[C@H](N)CC[NH+](C)C)C1 ZINC000662631647 413225189 /nfs/dbraw/zinc/22/51/89/413225189.db2.gz WZIVLIDENCGGCW-CHWSQXEVSA-N 2 0 253.390 1.080 20 30 CDEDRP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404415258 413278634 /nfs/dbraw/zinc/27/86/34/413278634.db2.gz FSZHYDCNAGYQJP-HUUCEWRRSA-N 2 0 279.428 1.636 20 30 CDEDRP C=CCCCC[C@@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665293933 414034403 /nfs/dbraw/zinc/03/44/03/414034403.db2.gz FTHXMVBYCKGXBB-LLVKDONJSA-N 2 0 264.373 1.865 20 30 CDEDRP C=C[C@H](CO)[NH2+]Cc1ccc(F)c(C[NH2+][C@H](C=C)CO)c1 ZINC000662168635 414547698 /nfs/dbraw/zinc/54/76/98/414547698.db2.gz OEZXWNHIJRJTPR-HUUCEWRRSA-N 2 0 294.370 1.099 20 30 CDEDRP C=CC[N@@H+](CCOCC[NH3+])Cc1ccc(OC)cc1 ZINC000357100488 266248806 /nfs/dbraw/zinc/24/88/06/266248806.db2.gz FZYKKJIAZLHSDB-UHFFFAOYSA-N 2 0 264.369 1.659 20 30 CDEDRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)CCC#N)C2)CC1 ZINC000351489218 279372784 /nfs/dbraw/zinc/37/27/84/279372784.db2.gz CQGDSHPDEZMBPD-GJZGRUSLSA-N 2 0 264.417 1.390 20 30 CDEDRP C[N@@H+]1CCN(CCC[NH2+]CCC#N)[C@@H](c2ccccc2)C1 ZINC000569228791 327057898 /nfs/dbraw/zinc/05/78/98/327057898.db2.gz HRDQEFRCUZVRGW-QGZVFWFLSA-N 2 0 286.423 1.868 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCCC[NH+](CC)CC)CC1 ZINC000171696025 329078454 /nfs/dbraw/zinc/07/84/54/329078454.db2.gz WWWLJBKSDPXXPW-UHFFFAOYSA-N 2 0 296.459 1.668 20 30 CDEDRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC1CCCC1 ZINC000262194720 330001603 /nfs/dbraw/zinc/00/16/03/330001603.db2.gz ZFKKLQAWIFERRI-ZDUSSCGKSA-N 2 0 252.406 1.708 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCC2([NH+](C)C)CCCCCC2)N1 ZINC000262672421 330025998 /nfs/dbraw/zinc/02/59/98/330025998.db2.gz RRPGFNFXSRQSBU-GFCCVEGCSA-N 2 0 252.406 1.578 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H](OC)C12CCC2 ZINC000263176766 330047454 /nfs/dbraw/zinc/04/74/54/330047454.db2.gz SUVLUXQHTPOZDZ-HZSPNIEDSA-N 2 0 294.443 1.333 20 30 CDEDRP CN(C)C(=[NH+]CC1(N2CCOCC2)CCCCC1)N(C)C ZINC000263269686 330051259 /nfs/dbraw/zinc/05/12/59/330051259.db2.gz WOAHTEWUDGGWJK-UHFFFAOYSA-N 2 0 296.459 1.501 20 30 CDEDRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424170536 330310747 /nfs/dbraw/zinc/31/07/47/330310747.db2.gz BHLKGXQFSXPNNQ-OCCSQVGLSA-N 2 0 280.416 1.196 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000575733599 335110219 /nfs/dbraw/zinc/11/02/19/335110219.db2.gz GWTCEOLNJPAJOK-AWEZNQCLSA-N 2 0 294.443 1.407 20 30 CDEDRP C=CCN1CCC([NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000177907240 333065541 /nfs/dbraw/zinc/06/55/41/333065541.db2.gz YEFCDBLZKVVCDS-ZBFHGGJFSA-N 2 0 265.445 1.957 20 30 CDEDRP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001753644347 1159867633 /nfs/dbraw/zinc/86/76/33/1159867633.db2.gz DUATVYSEVNTZHR-GJZGRUSLSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001270111798 1160090831 /nfs/dbraw/zinc/09/08/31/1160090831.db2.gz AFZKDAAREKETGY-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H](C)[NH3+])C(C)C ZINC000669385690 482763632 /nfs/dbraw/zinc/76/36/32/482763632.db2.gz FGVMLVPSLHQFMT-UONOGXRCSA-N 2 0 282.432 1.331 20 30 CDEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)(C)C ZINC001755840313 1160623924 /nfs/dbraw/zinc/62/39/24/1160623924.db2.gz WSEMVIIQQNJJHA-LSDHHAIUSA-N 2 0 293.455 1.615 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000353669138 527423314 /nfs/dbraw/zinc/42/33/14/527423314.db2.gz BPNVJWQFGZGPHW-OAHLLOKOSA-N 2 0 281.444 1.923 20 30 CDEDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000268415114 535165105 /nfs/dbraw/zinc/16/51/05/535165105.db2.gz JJOAHRPPDXYKCM-UHFFFAOYSA-N 2 0 293.436 1.945 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCc1ccccc1C[NH+](C)C ZINC000764508131 575917122 /nfs/dbraw/zinc/91/71/22/575917122.db2.gz PQJFYZSNXYZOQK-UHFFFAOYSA-N 2 0 275.396 1.482 20 30 CDEDRP C#CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942256120 613224059 /nfs/dbraw/zinc/22/40/59/613224059.db2.gz CXFULVBHZRKSBS-HUUCEWRRSA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970874165 613248220 /nfs/dbraw/zinc/24/82/20/613248220.db2.gz JCNNRRUZQIMUJD-ZIAGYGMSSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000950510753 613260648 /nfs/dbraw/zinc/26/06/48/613260648.db2.gz XPODHDSQDRDDJT-CABCVRRESA-N 2 0 279.428 1.295 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000980479123 613283551 /nfs/dbraw/zinc/28/35/51/613283551.db2.gz SNPFVALRQNHNFJ-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000972336544 613288848 /nfs/dbraw/zinc/28/88/48/613288848.db2.gz YCNJRGXZKYVOAJ-GJZGRUSLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970478398 613348268 /nfs/dbraw/zinc/34/82/68/613348268.db2.gz IZQYAVULNQQKST-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000939754337 613349920 /nfs/dbraw/zinc/34/99/20/613349920.db2.gz MOSBJLHDDGWIKF-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000968851014 613385443 /nfs/dbraw/zinc/38/54/43/613385443.db2.gz KRUQIMKVKXHWMT-ZIAGYGMSSA-N 2 0 299.846 1.804 20 30 CDEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000961775516 613562763 /nfs/dbraw/zinc/56/27/63/613562763.db2.gz VBYUHABZZYVHIX-TTZDDIAXSA-N 2 0 277.412 1.093 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000972154960 613617864 /nfs/dbraw/zinc/61/78/64/613617864.db2.gz RFJPIXRRSZYOOC-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971554097 613632157 /nfs/dbraw/zinc/63/21/57/613632157.db2.gz YMZMTWHXTGKHQT-LSDHHAIUSA-N 2 0 277.412 1.047 20 30 CDEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC000961168437 613640765 /nfs/dbraw/zinc/64/07/65/613640765.db2.gz BXYWLXURBQHWSM-ZSHCYNCHSA-N 2 0 294.358 1.018 20 30 CDEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000970316644 613669641 /nfs/dbraw/zinc/66/96/41/613669641.db2.gz DTSQAQUYLGTISE-GJZGRUSLSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000947853747 613781308 /nfs/dbraw/zinc/78/13/08/613781308.db2.gz VYQFQFGCQXCQCB-HOTGVXAUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944944976 613781418 /nfs/dbraw/zinc/78/14/18/613781418.db2.gz PNSDXTDMVRGNOI-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946893062 613832506 /nfs/dbraw/zinc/83/25/06/613832506.db2.gz YVVOOZTZJXEEDN-IYBDPMFKSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000962181982 613837029 /nfs/dbraw/zinc/83/70/29/613837029.db2.gz WLSRGKSEDNIFEG-ZSHCYNCHSA-N 2 0 291.439 1.339 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC000965065712 613858366 /nfs/dbraw/zinc/85/83/66/613858366.db2.gz ZAHVTULAXGRHIZ-BSTUBKLYSA-N 2 0 291.439 1.387 20 30 CDEDRP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981461539 613871317 /nfs/dbraw/zinc/87/13/17/613871317.db2.gz IJZYQXWYXVYMPT-UONOGXRCSA-N 2 0 277.412 1.285 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000891520685 617458619 /nfs/dbraw/zinc/45/86/19/617458619.db2.gz PEPJTZBMSPJALI-STQMWFEESA-N 2 0 280.416 1.158 20 30 CDEDRP CC[C@@H](CNC(=[NH2+])NCC1CCC1)[NH+]1CCCC1 ZINC000104166883 617978523 /nfs/dbraw/zinc/97/85/23/617978523.db2.gz WLAVRZGMGFDPSM-ZDUSSCGKSA-N 2 0 252.406 1.565 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000157386116 617982182 /nfs/dbraw/zinc/98/21/82/617982182.db2.gz YBPLZXUUMHECIU-KBPBESRZSA-N 2 0 284.448 1.294 20 30 CDEDRP C#CC[C@H](CO)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000895491274 619692952 /nfs/dbraw/zinc/69/29/52/619692952.db2.gz ZYYBBMBNJLLHIH-RYQLBKOJSA-N 2 0 286.419 1.871 20 30 CDEDRP N#CC1(CCCC[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCC1 ZINC000903752448 626073941 /nfs/dbraw/zinc/07/39/41/626073941.db2.gz SPZUBSLBDSTTHD-INIZCTEOSA-N 2 0 290.455 1.830 20 30 CDEDRP N#Cc1ccc(C2CC[NH+](CCN3CC[NH2+]CC3)CC2)cc1 ZINC000903824224 626104130 /nfs/dbraw/zinc/10/41/30/626104130.db2.gz NVKNKAKAUNXEKX-UHFFFAOYSA-N 2 0 298.434 1.643 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)CC[N@@H+](C)CC ZINC001170223366 1162315033 /nfs/dbraw/zinc/31/50/33/1162315033.db2.gz SOGGCSDDFPJIFR-UHFFFAOYSA-N 2 0 255.406 1.390 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130709271 1162697467 /nfs/dbraw/zinc/69/74/67/1162697467.db2.gz YYPAYYVMNSDXHJ-OAHLLOKOSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001086459905 1161978463 /nfs/dbraw/zinc/97/84/63/1161978463.db2.gz AIZMRVHSXHLBTB-MQMHXKEQSA-N 2 0 291.395 1.625 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001113403281 1162169346 /nfs/dbraw/zinc/16/93/46/1162169346.db2.gz ZUTWKCSBAMHXDM-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132277400 1163225157 /nfs/dbraw/zinc/22/51/57/1163225157.db2.gz GRYAERREPOCHIJ-CABCVRRESA-N 2 0 297.443 1.110 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132884628 1163499569 /nfs/dbraw/zinc/49/95/69/1163499569.db2.gz STYMRUKROWVZKU-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001133191780 1163602466 /nfs/dbraw/zinc/60/24/66/1163602466.db2.gz SYNIGQBPNTVZSX-CABCVRRESA-N 2 0 281.444 1.588 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001133311052 1163629949 /nfs/dbraw/zinc/62/99/49/1163629949.db2.gz VESWQZSZFPBXCM-HUUCEWRRSA-N 2 0 279.428 1.342 20 30 CDEDRP C=CCCC[N@@H+](CC)C[C@@H]1CC2(C[NH2+]C2)C(=O)O1 ZINC001574922019 1171051780 /nfs/dbraw/zinc/05/17/80/1171051780.db2.gz PXNHAAAMRVJBQT-LBPRGKRZSA-N 2 0 252.358 1.180 20 30 CDEDRP CC#CC[C@H]([NH3+])C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001574962371 1171062987 /nfs/dbraw/zinc/06/29/87/1171062987.db2.gz KLCJXOBATOUECM-ZFWWWQNUSA-N 2 0 277.412 1.060 20 30 CDEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001700144417 1176770221 /nfs/dbraw/zinc/77/02/21/1176770221.db2.gz JTNBGAGGMNDONU-CYBMUJFWSA-N 2 0 265.401 1.285 20 30 CDEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001725271518 1181946905 /nfs/dbraw/zinc/94/69/05/1181946905.db2.gz QGDLUALIIXKESQ-ZFWWWQNUSA-N 2 0 281.444 1.585 20 30 CDEDRP C[NH+]=C(NC[C@H]1CCOC1)NCC1([NH+](C)C)CCCCC1 ZINC000262692055 1182223459 /nfs/dbraw/zinc/22/34/59/1182223459.db2.gz CKPGWJRGDLSGLM-CQSZACIVSA-N 2 0 296.459 1.452 20 30 CDEDRP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001752460753 1184866164 /nfs/dbraw/zinc/86/61/64/1184866164.db2.gz RRGHBPPJKGZIFI-HOTGVXAUSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001752776030 1184909323 /nfs/dbraw/zinc/90/93/23/1184909323.db2.gz FNGDUGNEKUVVJD-IYBDPMFKSA-N 2 0 291.439 1.513 20 30 CDEDRP C=CC[NH2+][C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001752901435 1184957523 /nfs/dbraw/zinc/95/75/23/1184957523.db2.gz QLCGVWLJZMLWGR-IUODEOHRSA-N 2 0 285.407 1.479 20 30 CDEDRP C#CC[NH2+][C@H](CC)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001753474575 1185226747 /nfs/dbraw/zinc/22/67/47/1185226747.db2.gz ZJDBSSKSOXVQPE-CQSZACIVSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CC[NH2+]CC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CCCC1 ZINC001753508179 1185241109 /nfs/dbraw/zinc/24/11/09/1185241109.db2.gz YXCLMVLQYQTXJX-CQSZACIVSA-N 2 0 279.428 1.533 20 30 CDEDRP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001753598957 1185262268 /nfs/dbraw/zinc/26/22/68/1185262268.db2.gz ZJDAABPLTQSYSE-INIZCTEOSA-N 2 0 285.391 1.120 20 30 CDEDRP C=C(C)C[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001754273839 1185545600 /nfs/dbraw/zinc/54/56/00/1185545600.db2.gz IHHDGVQXDXLBKW-ZDUSSCGKSA-N 2 0 265.401 1.285 20 30 CDEDRP C=CCCC[N@H+]1CC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001754497673 1185644497 /nfs/dbraw/zinc/64/44/97/1185644497.db2.gz PNGNNAHRUMLDMT-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001754611875 1185684322 /nfs/dbraw/zinc/68/43/22/1185684322.db2.gz VWIRIDGUPNPGAQ-AWEZNQCLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)CCC ZINC001754619884 1185687309 /nfs/dbraw/zinc/68/73/09/1185687309.db2.gz INHNITKLKIVYTK-ZDUSSCGKSA-N 2 0 253.390 1.095 20 30 CDEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001754956054 1185769901 /nfs/dbraw/zinc/76/99/01/1185769901.db2.gz AJWVPTVPNXJXBJ-JYJNAYRXSA-N 2 0 291.439 1.226 20 30 CDEDRP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001755127450 1185825271 /nfs/dbraw/zinc/82/52/71/1185825271.db2.gz HGIBEXAALZUSOX-OAHLLOKOSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001755379596 1185935243 /nfs/dbraw/zinc/93/52/43/1185935243.db2.gz QEDCQOYTNDJVQB-CYBMUJFWSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001755662728 1186028314 /nfs/dbraw/zinc/02/83/14/1186028314.db2.gz GCXWBTRKESRZRO-LSDHHAIUSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001755765822 1186060748 /nfs/dbraw/zinc/06/07/48/1186060748.db2.gz XPUKTPGTIOJXBM-GJZGRUSLSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001000190767 796476166 /nfs/dbraw/zinc/47/61/66/796476166.db2.gz HOGNPBDXXOQQTN-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014454186 796498224 /nfs/dbraw/zinc/49/82/24/796498224.db2.gz HEEPZKHMHPWPTE-LSDHHAIUSA-N 2 0 277.412 1.095 20 30 CDEDRP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001040532330 796548529 /nfs/dbraw/zinc/54/85/29/796548529.db2.gz WCFVFOSGMRFQCI-KRWDZBQOSA-N 2 0 289.423 1.030 20 30 CDEDRP C=CC[N@H+]1CC[C@H]2CN(C(=O)Cc3cncn3C)CC[C@H]21 ZINC001036867111 796613788 /nfs/dbraw/zinc/61/37/88/796613788.db2.gz PCYUHTSBVHNDHY-DZGCQCFKSA-N 2 0 288.395 1.071 20 30 CDEDRP C[C@H](CCNC(=[NH2+])N1CCSCC1)[NH+]1CCCCC1 ZINC000305798338 796626488 /nfs/dbraw/zinc/62/64/88/796626488.db2.gz BSPSZPSFDUTURR-CYBMUJFWSA-N 2 0 284.473 1.614 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001033127563 796690015 /nfs/dbraw/zinc/69/00/15/796690015.db2.gz VUYBHTHSCCJJNT-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CCC[C@H]1C ZINC001049724496 796702248 /nfs/dbraw/zinc/70/22/48/796702248.db2.gz TUJICLACJAKAEC-OWCLPIDISA-N 2 0 289.423 1.169 20 30 CDEDRP C=CCNC(=[NH2+])NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000848989593 796702512 /nfs/dbraw/zinc/70/25/12/796702512.db2.gz ZDZGBEUKSGIFKK-CYBMUJFWSA-N 2 0 252.406 1.798 20 30 CDEDRP CCCCNC(=[NH2+])NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000170907924 796864351 /nfs/dbraw/zinc/86/43/51/796864351.db2.gz HLKYYBIOGRKKPE-CYBMUJFWSA-N 2 0 270.421 1.048 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052864906 796930199 /nfs/dbraw/zinc/93/01/99/796930199.db2.gz AHHYBADUHJPWRL-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP CN(C)C(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000178571869 797015607 /nfs/dbraw/zinc/01/56/07/797015607.db2.gz PEYVYWROCGPEPQ-AWEZNQCLSA-N 2 0 266.433 1.907 20 30 CDEDRP C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001017949345 797577327 /nfs/dbraw/zinc/57/73/27/797577327.db2.gz LEWPOCFMGPYCGD-KBXIAJHMSA-N 2 0 277.412 1.045 20 30 CDEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001035668479 797590993 /nfs/dbraw/zinc/59/09/93/797590993.db2.gz GXVAAQPKRJVXHH-OAHLLOKOSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001028661123 797661261 /nfs/dbraw/zinc/66/12/61/797661261.db2.gz GBDXIGMYCWKIRP-CYBMUJFWSA-N 2 0 284.363 1.572 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001000222165 797849524 /nfs/dbraw/zinc/84/95/24/797849524.db2.gz CCNSUJOPLNECTN-OLZOCXBDSA-N 2 0 253.390 1.093 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004149435 797934345 /nfs/dbraw/zinc/93/43/45/797934345.db2.gz HACBERQUWPYJGF-CYBMUJFWSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015796961 797993127 /nfs/dbraw/zinc/99/31/27/797993127.db2.gz UNRHZHZLAXQKKQ-JKSUJKDBSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995805155 798031426 /nfs/dbraw/zinc/03/14/26/798031426.db2.gz SVPIEWGIQOSZIA-HUUCEWRRSA-N 2 0 291.439 1.319 20 30 CDEDRP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049696643 798052967 /nfs/dbraw/zinc/05/29/67/798052967.db2.gz ZQKAWNZPNHKURI-CVEARBPZSA-N 2 0 289.423 1.027 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]CC)C2)CC1 ZINC001048480427 798055909 /nfs/dbraw/zinc/05/59/09/798055909.db2.gz TZPMBJMRUHCJKP-ZBFHGGJFSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101353044 1167003878 /nfs/dbraw/zinc/00/38/78/1167003878.db2.gz PYOQTYZSZOWJGD-WBVHZDCISA-N 2 0 293.455 1.685 20 30 CDEDRP C=CC1(CC(=O)N2CCC([NH+]3CCCCC3)CC2)C[NH2+]C1 ZINC001574880395 1167640885 /nfs/dbraw/zinc/64/08/85/1167640885.db2.gz NCWNFXXLGQVQGT-UHFFFAOYSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001088980564 912431483 /nfs/dbraw/zinc/43/14/83/912431483.db2.gz LNQXKHWZVHQIAQ-MCIONIFRSA-N 2 0 265.401 1.093 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001020595373 894373781 /nfs/dbraw/zinc/37/37/81/894373781.db2.gz NASNOUKMRFUCCU-QAQDUYKDSA-N 2 0 299.418 1.274 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001022076967 896065887 /nfs/dbraw/zinc/06/58/87/896065887.db2.gz GXVBTUXBBMBJNX-APIJFGDWSA-N 2 0 277.412 1.284 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NC[C@]1(C)CCCS1 ZINC000262012167 896564603 /nfs/dbraw/zinc/56/46/03/896564603.db2.gz WUELRIGZXRERRU-JSGCOSHPSA-N 2 0 284.473 1.389 20 30 CDEDRP C[NH+]=C(NCC[N@H+](C)C(C)C)N1CC[C@@]2(CCOC2)C1 ZINC000262015400 896567411 /nfs/dbraw/zinc/56/74/11/896567411.db2.gz XPNQXWIPMQCIKQ-OAHLLOKOSA-N 2 0 282.432 1.014 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001106674460 914125662 /nfs/dbraw/zinc/12/56/62/914125662.db2.gz VTBFYGRLKPQSIE-KFWWJZLASA-N 2 0 281.444 1.587 20 30 CDEDRP CN(C)/C=[NH+]/c1ccc(-n2ccc(C[NH3+])cc2=N)cc1C#N ZINC001167692706 898306571 /nfs/dbraw/zinc/30/65/71/898306571.db2.gz SMFHPCMXSCIFCK-TXOBMJBWSA-N 2 0 294.362 1.509 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267686629 899276579 /nfs/dbraw/zinc/27/65/79/899276579.db2.gz SQMFHZDYQJFMPH-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)C[NH+](CC)CC)C1 ZINC001100769400 899352039 /nfs/dbraw/zinc/35/20/39/899352039.db2.gz IJYSMGDGLNNNJL-UHFFFAOYSA-N 2 0 287.835 1.565 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001104913778 899664961 /nfs/dbraw/zinc/66/49/61/899664961.db2.gz CYMUBZHDYYUCHA-HUUCEWRRSA-N 2 0 291.439 1.342 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001027419481 900487252 /nfs/dbraw/zinc/48/72/52/900487252.db2.gz RARCEDFSNYZZSZ-HRCADAONSA-N 2 0 291.439 1.273 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027477255 900523776 /nfs/dbraw/zinc/52/37/76/900523776.db2.gz DUNIZNFMLOCJJX-HNNXBMFYSA-N 2 0 289.423 1.171 20 30 CDEDRP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027891698 900949355 /nfs/dbraw/zinc/94/93/55/900949355.db2.gz FXQXCRMDEDNSNK-MGPQQGTHSA-N 2 0 265.401 1.093 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027993256 901123959 /nfs/dbraw/zinc/12/39/59/901123959.db2.gz OEQSWKZZXJHWSU-HNNXBMFYSA-N 2 0 291.439 1.772 20 30 CDEDRP COC(=O)c1cc(C#N)ccc1NC(=[NH2+])NCCCC[NH3+] ZINC001167878718 901607206 /nfs/dbraw/zinc/60/72/06/901607206.db2.gz OOCXFRYUZJIVKO-UHFFFAOYSA-N 2 0 289.339 1.020 20 30 CDEDRP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001481823776 902174258 /nfs/dbraw/zinc/17/42/58/902174258.db2.gz LKNLYPBMALYQLM-CABCVRRESA-N 2 0 281.444 1.921 20 30 CDEDRP C[C@@H](CNC(=[NH2+])NCC1CCC1)[N@@H+]1CCCC[C@H]1C ZINC000261964234 904621344 /nfs/dbraw/zinc/62/13/44/904621344.db2.gz AOUTZNQXBHBODM-OLZOCXBDSA-N 2 0 266.433 1.954 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001075809060 905514147 /nfs/dbraw/zinc/51/41/47/905514147.db2.gz QDFNLPTUGDFBCK-QKPAOTATSA-N 2 0 291.439 1.435 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001003421077 921306964 /nfs/dbraw/zinc/30/69/64/921306964.db2.gz ZSBQBSGKCYHQCC-UHFFFAOYSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000987291369 907691910 /nfs/dbraw/zinc/69/19/10/907691910.db2.gz ITJFOGBCAUZWIE-HOCLYGCPSA-N 2 0 293.455 1.872 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC000987521689 907735912 /nfs/dbraw/zinc/73/59/12/907735912.db2.gz CZOKBPFQFPJESR-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000989682897 908967528 /nfs/dbraw/zinc/96/75/28/908967528.db2.gz KQYCYGAVSRIPHG-UONOGXRCSA-N 2 0 277.412 1.237 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]C(C)C)C[C@H]2C)CC1 ZINC000989828571 909016432 /nfs/dbraw/zinc/01/64/32/909016432.db2.gz FYMABBHMYBHQPZ-GDBMZVCRSA-N 2 0 291.439 1.319 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC001088748397 909267581 /nfs/dbraw/zinc/26/75/81/909267581.db2.gz CXBDZQIJMQKOKM-DOMZBBRYSA-N 2 0 282.347 1.160 20 30 CDEDRP C=CC[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cnc3C)CC[C@H]21 ZINC001036879051 910616790 /nfs/dbraw/zinc/61/67/90/910616790.db2.gz GWZAUNOSVNYWFZ-DZGCQCFKSA-N 2 0 288.395 1.369 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171575919 910838465 /nfs/dbraw/zinc/83/84/65/910838465.db2.gz KTICTSSOGMHCEU-UHFFFAOYSA-N 2 0 275.824 1.567 20 30 CDEDRP C=CCCSCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000696042905 911631445 /nfs/dbraw/zinc/63/14/45/911631445.db2.gz DDUVYBVMLZJVQE-MEBFFEOJSA-N 2 0 252.427 1.882 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001178518732 915480134 /nfs/dbraw/zinc/48/01/34/915480134.db2.gz YDDUYEJNOHIDNJ-HUUCEWRRSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001178736607 915610997 /nfs/dbraw/zinc/61/09/97/915610997.db2.gz ZDUYRLJVCWFBSV-YHUYYLMFSA-N 2 0 293.455 1.872 20 30 CDEDRP CC(C)CCNC(=[NH2+])NCC[N@@H+]1CCC[C@H](C)C1 ZINC000104168222 931322348 /nfs/dbraw/zinc/32/23/48/931322348.db2.gz OQVBCWAZUQTEEK-ZDUSSCGKSA-N 2 0 254.422 1.669 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001179538367 915880654 /nfs/dbraw/zinc/88/06/54/915880654.db2.gz BBKCVPOHLHHPOR-ILXRZTDVSA-N 2 0 279.428 1.483 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001180265594 916231921 /nfs/dbraw/zinc/23/19/21/916231921.db2.gz WSGINZWESAXXFU-HNNXBMFYSA-N 2 0 279.428 1.228 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001180265250 916233119 /nfs/dbraw/zinc/23/31/19/916233119.db2.gz ODSSMTNUHQJPSY-OAHLLOKOSA-N 2 0 279.428 1.228 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000303896214 935046550 /nfs/dbraw/zinc/04/65/50/935046550.db2.gz PVEQIJYYJYEUCZ-YNEHKIRRSA-N 2 0 270.421 1.189 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303899473 935047166 /nfs/dbraw/zinc/04/71/66/935047166.db2.gz WDRVCBPDCBQNQP-HZSPNIEDSA-N 2 0 298.475 1.682 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847344 936183907 /nfs/dbraw/zinc/18/39/07/936183907.db2.gz VNYOTCRQAKWZOQ-LSDHHAIUSA-N 2 0 289.423 1.334 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107042240 917895580 /nfs/dbraw/zinc/89/55/80/917895580.db2.gz CBOSALXAZCCATN-HUUCEWRRSA-N 2 0 281.444 1.587 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001054905622 936478121 /nfs/dbraw/zinc/47/81/21/936478121.db2.gz HXOPORLQWWUCEX-IUODEOHRSA-N 2 0 282.347 1.018 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CC1(C)C ZINC000996315662 918242309 /nfs/dbraw/zinc/24/23/09/918242309.db2.gz RUFHBCOHDZRKAY-KBPBESRZSA-N 2 0 281.444 1.729 20 30 CDEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530577 918440159 /nfs/dbraw/zinc/44/01/59/918440159.db2.gz AFONJOCPPNIIFA-NVXWUHKLSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)Cc2cncn2C)C1 ZINC001000688107 936538036 /nfs/dbraw/zinc/53/80/36/936538036.db2.gz JIRLVFMIFPCEQC-LBPRGKRZSA-N 2 0 296.802 1.296 20 30 CDEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997423599 919161797 /nfs/dbraw/zinc/16/17/97/919161797.db2.gz GCSBOVYQKHPPBG-ZBFHGGJFSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184585659 919200247 /nfs/dbraw/zinc/20/02/47/919200247.db2.gz RPQKSAOYRYIGBA-CVEARBPZSA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185084107 919416903 /nfs/dbraw/zinc/41/69/03/919416903.db2.gz JKOCDHBUPFCVGB-CVEARBPZSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052393361 936582486 /nfs/dbraw/zinc/58/24/86/936582486.db2.gz IFTHWJNETDSABI-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052526879 936584369 /nfs/dbraw/zinc/58/43/69/936584369.db2.gz MFWMQHZCRYYSSZ-OAHLLOKOSA-N 2 0 289.423 1.219 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001185548419 919649560 /nfs/dbraw/zinc/64/95/60/919649560.db2.gz MNRZMNNGWZVQBX-JKSUJKDBSA-N 2 0 293.455 1.426 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999374644 919744758 /nfs/dbraw/zinc/74/47/58/919744758.db2.gz RSSNOUWPZZGYPX-LSDHHAIUSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001185750965 919754566 /nfs/dbraw/zinc/75/45/66/919754566.db2.gz NDJYDHXZVXVQEO-HOTGVXAUSA-N 2 0 295.471 1.977 20 30 CDEDRP CNC(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)=[NH+]C ZINC000386520742 936632554 /nfs/dbraw/zinc/63/25/54/936632554.db2.gz YSLQJQYLYOCBQD-HNNXBMFYSA-N 2 0 274.412 1.693 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001187420176 920534513 /nfs/dbraw/zinc/53/45/13/920534513.db2.gz CTUKHLDEGIDCJY-TZMCWYRMSA-N 2 0 290.411 1.806 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CC1(C)C ZINC001486247967 920839031 /nfs/dbraw/zinc/83/90/31/920839031.db2.gz QGDRDEYXRFUQFG-ZIAGYGMSSA-N 2 0 281.444 1.729 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001033127598 921888560 /nfs/dbraw/zinc/88/85/60/921888560.db2.gz WIPYQAOJJHUVRS-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033320939 922157068 /nfs/dbraw/zinc/15/70/68/922157068.db2.gz XUAVZYVXHCHGIR-HNNXBMFYSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190744617 922170281 /nfs/dbraw/zinc/17/02/81/922170281.db2.gz SWVOWEHWOFSVFK-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CCN1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033510293 922242656 /nfs/dbraw/zinc/24/26/56/922242656.db2.gz UPLOWACOSRJPAK-KRWDZBQOSA-N 2 0 299.418 1.528 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005385900 922382294 /nfs/dbraw/zinc/38/22/94/922382294.db2.gz ZEFFDRKAPMZRJX-MRXNPFEDSA-N 2 0 293.455 1.968 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033941810 922432818 /nfs/dbraw/zinc/43/28/18/922432818.db2.gz SFLRLWPPKFDKII-INIZCTEOSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191162690 922433790 /nfs/dbraw/zinc/43/37/90/922433790.db2.gz PGZDNPXNTGKTRU-OAHLLOKOSA-N 2 0 296.374 1.504 20 30 CDEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC001191632499 922669308 /nfs/dbraw/zinc/66/93/08/922669308.db2.gz KBOPCGMQPDVERY-HNNXBMFYSA-N 2 0 290.411 1.772 20 30 CDEDRP C#CC[NH+]1CCC(N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001005661947 922773338 /nfs/dbraw/zinc/77/33/38/922773338.db2.gz CIEGMJJUCVRXCY-UHFFFAOYSA-N 2 0 289.423 1.171 20 30 CDEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192679549 923190291 /nfs/dbraw/zinc/19/02/91/923190291.db2.gz DUHGLBRJUOUAHQ-INIZCTEOSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(-n2[nH]c(=O)nc2C[NH3+])cc1 ZINC001168762146 923413727 /nfs/dbraw/zinc/41/37/27/923413727.db2.gz FLPRXBFGEUPDFM-AWEZNQCLSA-N 2 0 299.378 1.755 20 30 CDEDRP C#C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000775574001 923470701 /nfs/dbraw/zinc/47/07/01/923470701.db2.gz MYVWNDOXMLEEBF-QEJZJMRPSA-N 2 0 250.386 1.487 20 30 CDEDRP C=CCC[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000923430020 923822726 /nfs/dbraw/zinc/82/27/26/923822726.db2.gz COEIHOUEDKLPPG-BBWFWOEESA-N 2 0 293.455 1.214 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001080054180 924475444 /nfs/dbraw/zinc/47/54/44/924475444.db2.gz QLVYWHFKADJNMT-CZUORRHYSA-N 2 0 296.374 1.408 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084231614 925197981 /nfs/dbraw/zinc/19/79/81/925197981.db2.gz GBFBVUPVYSMNPV-QLFBSQMISA-N 2 0 277.412 1.189 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001084850239 925458521 /nfs/dbraw/zinc/45/85/21/925458521.db2.gz QXLGPTBJLJXCQK-HZPDHXFCSA-N 2 0 291.439 1.581 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152471541 925464433 /nfs/dbraw/zinc/46/44/33/925464433.db2.gz LYADFIWNDOWNJP-CYBMUJFWSA-N 2 0 287.835 1.565 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084903791 925488625 /nfs/dbraw/zinc/48/86/25/925488625.db2.gz QTJDYZNUYYRPPL-ILXRZTDVSA-N 2 0 277.412 1.189 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]21 ZINC001084970863 925533273 /nfs/dbraw/zinc/53/32/73/925533273.db2.gz YRFBIKCFVBXSLF-OAGGEKHMSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102086261 937041152 /nfs/dbraw/zinc/04/11/52/937041152.db2.gz WSJJRCBKNBSVEJ-MGPQQGTHSA-N 2 0 267.417 1.197 20 30 CDEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102513901 937061921 /nfs/dbraw/zinc/06/19/21/937061921.db2.gz FVEGCWFTNCFQJO-BZUAXINKSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103720309 937152079 /nfs/dbraw/zinc/15/20/79/937152079.db2.gz QQRQIIHOAHBZPU-OAGGEKHMSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110667764 928012350 /nfs/dbraw/zinc/01/23/50/928012350.db2.gz JSARKHPCWKRYSP-LVQVYYBASA-N 2 0 291.439 1.624 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111854351 937243824 /nfs/dbraw/zinc/24/38/24/937243824.db2.gz OPKUZXLMTFQVBC-HOCLYGCPSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001112009673 937262892 /nfs/dbraw/zinc/26/28/92/937262892.db2.gz OQCVKEHQHSBNRM-RDJZCZTQSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109403414 928922570 /nfs/dbraw/zinc/92/25/70/928922570.db2.gz FPXQTPVZEQJCCO-ILXRZTDVSA-N 2 0 289.423 1.216 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001202503032 929134353 /nfs/dbraw/zinc/13/43/53/929134353.db2.gz IQEYBDQOMQQDMT-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1ccnc1C ZINC001114976050 937313479 /nfs/dbraw/zinc/31/34/79/937313479.db2.gz SFRPLKDPWJZESF-FOLVSLTJSA-N 2 0 288.395 1.204 20 30 CDEDRP CN(C)/C=[NH+]/c1ccc(N(C)C(C)(C)C[NH3+])cc1C#N ZINC001170059725 929245242 /nfs/dbraw/zinc/24/52/42/929245242.db2.gz UKGSYOUJCNWNDA-WOJGMQOQSA-N 2 0 273.384 1.953 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001112861411 929509174 /nfs/dbraw/zinc/50/91/74/929509174.db2.gz ZYMOUMVIIQONTK-MRXNPFEDSA-N 2 0 291.439 1.439 20 30 CDEDRP C=C[C@](C)(O)C[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001252577220 929528842 /nfs/dbraw/zinc/52/88/42/929528842.db2.gz WRHWVJJYQHIPMJ-AWEZNQCLSA-N 2 0 256.390 1.014 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152148471 937338747 /nfs/dbraw/zinc/33/87/47/937338747.db2.gz QELHMQFGJWMNKN-CHWSQXEVSA-N 2 0 253.390 1.141 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152236914 937346661 /nfs/dbraw/zinc/34/66/61/937346661.db2.gz IFRSIAYUPGQIRP-UHFFFAOYSA-N 2 0 267.417 1.534 20 30 CDEDRP CC(=NNCC[NH+]1CCCCC1)C1CC[NH+](C)CC1 ZINC000814809070 929855181 /nfs/dbraw/zinc/85/51/81/929855181.db2.gz XVMCLJROJGWDLA-UHFFFAOYSA-N 2 0 266.433 1.780 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134763438 929889235 /nfs/dbraw/zinc/88/92/35/929889235.db2.gz YOETZBUCOLPQDZ-AWEZNQCLSA-N 2 0 267.417 1.531 20 30 CDEDRP C#CC[C@H](CO)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000883123618 930145317 /nfs/dbraw/zinc/14/53/17/930145317.db2.gz DXHOLIYJZGOTDI-OAHLLOKOSA-N 2 0 276.380 1.101 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135315538 930150669 /nfs/dbraw/zinc/15/06/69/930150669.db2.gz PVEKORBJXVWWQR-KBPBESRZSA-N 2 0 269.433 1.777 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135707195 930372023 /nfs/dbraw/zinc/37/20/23/930372023.db2.gz ZUDJYZSWODMVLH-UHFFFAOYSA-N 2 0 273.808 1.177 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)C[N@H+]2CCC[C@@H]2C)CCCCC1 ZINC001115729681 937416260 /nfs/dbraw/zinc/41/62/60/937416260.db2.gz PADFOQGTQMJNNB-HNNXBMFYSA-N 2 0 291.439 1.513 20 30 CDEDRP N#Cc1cc(C(F)(F)N[C@@H]([NH3+])CCC[NH3+])cnc1Cl ZINC001159783421 930842207 /nfs/dbraw/zinc/84/22/07/930842207.db2.gz CWCVMSRZJYWPOF-SECBINFHSA-N 2 0 289.717 1.269 20 30 CDEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N1CCc2ccccc21 ZINC000103903376 931313330 /nfs/dbraw/zinc/31/33/30/931313330.db2.gz MFOMZOKNCAYAEJ-CYBMUJFWSA-N 2 0 272.396 1.576 20 30 CDEDRP C=CCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001274962701 931616694 /nfs/dbraw/zinc/61/66/94/931616694.db2.gz SGRUGYMPULOQGI-ZIAGYGMSSA-N 2 0 277.412 1.095 20 30 CDEDRP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCN(CCC[NH3+])CC1 ZINC001171189671 931836917 /nfs/dbraw/zinc/83/69/17/931836917.db2.gz IXERSFDBLHLBQL-HNNXBMFYSA-N 2 0 286.423 1.456 20 30 CDEDRP C#CCCC[N@H+]1CCC[C@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001275977807 932194096 /nfs/dbraw/zinc/19/40/96/932194096.db2.gz FCGYGGGFGXXESJ-QGZVFWFLSA-N 2 0 293.455 1.128 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146535704 932263028 /nfs/dbraw/zinc/26/30/28/932263028.db2.gz MVIVHASIRHFWIT-GJZGRUSLSA-N 2 0 279.428 1.369 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146613405 932271358 /nfs/dbraw/zinc/27/13/58/932271358.db2.gz SWVDYFZTQLRTSM-HZPDHXFCSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005166 937621233 /nfs/dbraw/zinc/62/12/33/937621233.db2.gz HLVCUAOGQZRGCP-CQSZACIVSA-N 2 0 269.433 1.731 20 30 CDEDRP C=CC[N@H+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148636121 932767523 /nfs/dbraw/zinc/76/75/23/932767523.db2.gz SWXLWGMOVIGBNL-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155283168 937656368 /nfs/dbraw/zinc/65/63/68/937656368.db2.gz LIHCHUJYHOLFJC-CQSZACIVSA-N 2 0 281.444 1.731 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000928647114 933169227 /nfs/dbraw/zinc/16/92/27/933169227.db2.gz FEIIQGHMWSMMCJ-CVEARBPZSA-N 2 0 289.423 1.217 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000932141171 933671085 /nfs/dbraw/zinc/67/10/85/933671085.db2.gz SOJDRSDQESHYQI-OAHLLOKOSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCCC1 ZINC001120208231 937786443 /nfs/dbraw/zinc/78/64/43/937786443.db2.gz WNZMLQSUZXRSJB-UHFFFAOYSA-N 2 0 279.428 1.369 20 30 CDEDRP [NH2+]=C(NCC[NH+]1CCCC1)N[C@@H]1CCOc2ccccc21 ZINC000083030145 934746178 /nfs/dbraw/zinc/74/61/78/934746178.db2.gz LQFMNQDWMGTBHQ-CQSZACIVSA-N 2 0 288.395 1.510 20 30 CDEDRP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001114829178 935001214 /nfs/dbraw/zinc/00/12/14/935001214.db2.gz RQNUYQFNPUBCRA-QXSJWSMHSA-N 2 0 291.439 1.177 20 30 CDEDRP [NH2+]=C(NCCC[NH+]1CCCC1)NCCc1ccccc1 ZINC000303769823 935043935 /nfs/dbraw/zinc/04/39/35/935043935.db2.gz BEPFVDHEKSPIEQ-UHFFFAOYSA-N 2 0 274.412 1.619 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[C@H]1CCCCO1 ZINC000305817387 935218909 /nfs/dbraw/zinc/21/89/09/935218909.db2.gz AJUIANXZCCCRHN-UONOGXRCSA-N 2 0 282.432 1.334 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001008539027 935404786 /nfs/dbraw/zinc/40/47/86/935404786.db2.gz JWBYVTXCYAIGMV-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015059218 935557404 /nfs/dbraw/zinc/55/74/04/935557404.db2.gz PGUUTPHNWRWVJQ-CABCVRRESA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015391724 935566860 /nfs/dbraw/zinc/56/68/60/935566860.db2.gz KCCZQBVCBXCIQP-JKSUJKDBSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001016336516 935611179 /nfs/dbraw/zinc/61/11/79/935611179.db2.gz BPXWVFTZKNGRAW-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001016539033 935617686 /nfs/dbraw/zinc/61/76/86/935617686.db2.gz BWDGPAZBYKLTCD-LSDHHAIUSA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001016970084 935627068 /nfs/dbraw/zinc/62/70/68/935627068.db2.gz RXOMPYFAJZSXKL-CABCVRRESA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001019820562 935718445 /nfs/dbraw/zinc/71/84/45/935718445.db2.gz PGNIHNNVKIOJTM-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)CN1CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001038393347 935743056 /nfs/dbraw/zinc/74/30/56/935743056.db2.gz GUGQFGZXJKDKLS-OAHLLOKOSA-N 2 0 291.439 1.629 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039469890 935775814 /nfs/dbraw/zinc/77/58/14/935775814.db2.gz LVTPSMGPLZOSIG-XHSDSOJGSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001042092901 935812954 /nfs/dbraw/zinc/81/29/54/935812954.db2.gz KVJAJXGEBWLFME-CABCVRRESA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H](C)C1 ZINC001044630459 935866921 /nfs/dbraw/zinc/86/69/21/935866921.db2.gz WLOSMURDJQTCPM-UONOGXRCSA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046318332 935941163 /nfs/dbraw/zinc/94/11/63/935941163.db2.gz KLONBJGKLHLLME-WBVHZDCISA-N 2 0 291.439 1.485 20 30 CDEDRP C#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046707275 935967967 /nfs/dbraw/zinc/96/79/67/935967967.db2.gz QMTNFMWREMDCSR-GOSISDBHSA-N 2 0 299.418 1.576 20 30 CDEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001121288657 937865156 /nfs/dbraw/zinc/86/51/56/937865156.db2.gz IARIEHQPNMOWFV-UKEPKTAJSA-N 2 0 291.439 1.367 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158036692 938577495 /nfs/dbraw/zinc/57/74/95/938577495.db2.gz FLAYJQJHYCCDEV-JKSUJKDBSA-N 2 0 293.455 1.923 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)N2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001158159605 938588058 /nfs/dbraw/zinc/58/80/58/938588058.db2.gz FKHLPFVTBNVHGK-LSDHHAIUSA-N 2 0 263.385 1.039 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158195786 938593233 /nfs/dbraw/zinc/59/32/33/938593233.db2.gz DTETYHKKLNSONU-ZDUSSCGKSA-N 2 0 285.819 1.177 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158403925 938619205 /nfs/dbraw/zinc/61/92/05/938619205.db2.gz NEBDEVBWTHZQTQ-UONOGXRCSA-N 2 0 267.417 1.389 20 30 CDEDRP N#Cc1c(NC[C@H]2CCCC[NH2+]2)ncc2c1CCC[NH2+]C2 ZINC001160145515 938771300 /nfs/dbraw/zinc/77/13/00/938771300.db2.gz RTDGNIYNJQSMEK-CYBMUJFWSA-N 2 0 285.395 1.543 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160267062 938778399 /nfs/dbraw/zinc/77/83/99/938778399.db2.gz JUZGRXOEGHCFCB-CYBMUJFWSA-N 2 0 287.835 1.709 20 30 CDEDRP C#CC[N@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161101615 938871462 /nfs/dbraw/zinc/87/14/62/938871462.db2.gz HCGKLJODZBVDDO-UHFFFAOYSA-N 2 0 289.423 1.100 20 30 CDEDRP C=CCC[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161106766 938871826 /nfs/dbraw/zinc/87/18/26/938871826.db2.gz KMGLMNCVPYKXSV-UHFFFAOYSA-N 2 0 279.428 1.653 20 30 CDEDRP CC#CC[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001161650490 938916980 /nfs/dbraw/zinc/91/69/80/938916980.db2.gz FRAYTDVZIYGFPX-UHFFFAOYSA-N 2 0 291.439 1.490 20 30 CDEDRP N#Cc1c(F)ccnc1NCCC[NH2+]CCCC[NH3+] ZINC001162293370 938972382 /nfs/dbraw/zinc/97/23/82/938972382.db2.gz YPZHIVZCUXPYKN-UHFFFAOYSA-N 2 0 265.336 1.223 20 30 CDEDRP CN(C)/C=[NH+]/c1ccc(NC[C@@]23C[NH2+][C@@H](CO2)C3)cc1C#N ZINC001163204233 939225647 /nfs/dbraw/zinc/22/56/47/939225647.db2.gz YDZUXYTYUUGVMY-KNTPFCCGSA-N 2 0 299.378 1.322 20 30 CDEDRP C[Si](C)(C)C#C[NH2+][C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163315248 939245806 /nfs/dbraw/zinc/24/58/06/939245806.db2.gz JWOXAPRBFXZZOJ-STQMWFEESA-N 2 0 252.434 1.325 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165777809 939577107 /nfs/dbraw/zinc/57/71/07/939577107.db2.gz YJGRLJOMJMAUOJ-AWEZNQCLSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCn1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cn1 ZINC001206004534 939966341 /nfs/dbraw/zinc/96/63/41/939966341.db2.gz SXTIOSKZSGMFBL-UKRRQHHQSA-N 2 0 262.401 1.876 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001206074983 939975287 /nfs/dbraw/zinc/97/52/87/939975287.db2.gz XEIVPJCOZCCKRA-UHFFFAOYSA-N 2 0 267.417 1.342 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001206275512 940010410 /nfs/dbraw/zinc/01/04/10/940010410.db2.gz UXOJBWKQZSTXFV-CQSZACIVSA-N 2 0 279.428 1.342 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208062546 940282121 /nfs/dbraw/zinc/28/21/21/940282121.db2.gz CFTJSBRRYQHUBI-HZPDHXFCSA-N 2 0 291.439 1.485 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001208073158 940282608 /nfs/dbraw/zinc/28/26/08/940282608.db2.gz DIOBDCXXQYTUGO-OWCLPIDISA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208919743 940407258 /nfs/dbraw/zinc/40/72/58/940407258.db2.gz VINSQDWTJDWAII-HNNXBMFYSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001209641258 940621920 /nfs/dbraw/zinc/62/19/20/940621920.db2.gz HVHTTZQYEZOCOY-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210674090 940705625 /nfs/dbraw/zinc/70/56/25/940705625.db2.gz NBWAFDMKFGLYTR-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210685283 940706720 /nfs/dbraw/zinc/70/67/20/940706720.db2.gz RVIBMXNSBIMYSG-CQSZACIVSA-N 2 0 277.412 1.239 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210811406 940714887 /nfs/dbraw/zinc/71/48/87/940714887.db2.gz NOGKDFQBACFJFS-HNNXBMFYSA-N 2 0 281.444 1.875 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001211257003 940742436 /nfs/dbraw/zinc/74/24/36/940742436.db2.gz OAFMBFCYGQLYIG-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001214905123 940844452 /nfs/dbraw/zinc/84/44/52/940844452.db2.gz ZIXTWPXATZSJOJ-OAGGEKHMSA-N 2 0 295.471 1.975 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216465077 940940027 /nfs/dbraw/zinc/94/00/27/940940027.db2.gz ZRTVNSKMPCVAQO-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217927807 941030260 /nfs/dbraw/zinc/03/02/60/941030260.db2.gz XPRHRHRALPUBBL-RBZJEDDUSA-N 2 0 280.412 1.467 20 30 CDEDRP CC1(C)CC(=O)C=C(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001220414083 941445698 /nfs/dbraw/zinc/44/56/98/941445698.db2.gz XCLAUWNVKTXPAY-NSHDSACASA-N 2 0 281.400 1.222 20 30 CDEDRP C#CC[C@]1(C(=O)N[C@@]23CC[C@@]([NH3+])(C2)CCC3)CCC[NH2+]1 ZINC001220779434 941471769 /nfs/dbraw/zinc/47/17/69/941471769.db2.gz SWDFEHIHSCQNSG-OWCLPIDISA-N 2 0 275.396 1.052 20 30 CDEDRP C#C[C@](C)([NH3+])C(=O)N[C@H]1CC[C@@H]([NH+](CC)CC)CC1 ZINC001221394543 941528798 /nfs/dbraw/zinc/52/87/98/941528798.db2.gz CNQWQWMIENKDIE-GUTXKFCHSA-N 2 0 265.401 1.106 20 30 CDEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222053422 941558942 /nfs/dbraw/zinc/55/89/42/941558942.db2.gz POCQJCCYNXFXBC-HZPDHXFCSA-N 2 0 293.455 1.826 20 30 CDEDRP CCCCCCC[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222080582 941560814 /nfs/dbraw/zinc/56/08/14/941560814.db2.gz MSTBMPOKPZVCKN-UHFFFAOYSA-N 2 0 253.434 1.984 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001228434723 942316050 /nfs/dbraw/zinc/31/60/50/942316050.db2.gz FBGUIYQUXATVNI-RBSFLKMASA-N 2 0 279.428 1.223 20 30 CDEDRP C=CCOCC[NH+]1CCC(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001229909020 942552348 /nfs/dbraw/zinc/55/23/48/942552348.db2.gz RJWBSJIYGHEMGA-UHFFFAOYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230048511 942579291 /nfs/dbraw/zinc/57/92/91/942579291.db2.gz FDBLYFYODLLLOT-UHFFFAOYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001316617388 942661155 /nfs/dbraw/zinc/66/11/55/942661155.db2.gz HFOPNDPGFJOWAI-QLFBSQMISA-N 2 0 281.444 1.777 20 30 CDEDRP CCCCCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001235000303 944003661 /nfs/dbraw/zinc/00/36/61/944003661.db2.gz CWKWIDUIRLLHMM-CABCVRRESA-N 2 0 254.418 1.861 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001235513251 944182713 /nfs/dbraw/zinc/18/27/13/944182713.db2.gz LWORUANNLHQCHM-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP N#Cc1ccc2c(CN3C[C@H]4CC[C@@]4([NH3+])C3)c[nH]c2c1 ZINC001235990241 944353185 /nfs/dbraw/zinc/35/31/85/944353185.db2.gz MCEQROIFZQSIRX-CZUORRHYSA-N 2 0 266.348 1.963 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)Nc1ccc2nccn2c1 ZINC001262264977 946558183 /nfs/dbraw/zinc/55/81/83/946558183.db2.gz HKGXXIAFPFRVPB-UHFFFAOYSA-N 2 0 285.351 1.411 20 30 CDEDRP C=CCCCCCC[C@@H](O)C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001245985640 947879764 /nfs/dbraw/zinc/87/97/64/947879764.db2.gz RVXFUQIWLSOLMN-TWMKSMIVSA-N 2 0 296.455 1.698 20 30 CDEDRP C=CCOC(=O)N1CCC(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246466592 948188085 /nfs/dbraw/zinc/18/80/85/948188085.db2.gz PIKUSOGXNDXEOU-HIFRSBDPSA-N 2 0 295.427 1.751 20 30 CDEDRP C=CCN1C(=O)CCC12CC[NH+](C1CC[NH2+]CC1)CC2 ZINC001246710118 948413198 /nfs/dbraw/zinc/41/31/98/948413198.db2.gz LUSMFXARGWTJGX-UHFFFAOYSA-N 2 0 277.412 1.381 20 30 CDEDRP C#CCOC[C@H](O)C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001251847197 950862382 /nfs/dbraw/zinc/86/23/82/950862382.db2.gz AVTVHJMNNCKFCH-QGZVFWFLSA-N 2 0 294.439 1.051 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]CC1CC[NH+](CC(C)(C)C)CC1 ZINC001252495459 951368089 /nfs/dbraw/zinc/36/80/89/951368089.db2.gz OQMJGVPMNKRUMF-INIZCTEOSA-N 2 0 298.471 1.898 20 30 CDEDRP C=C[C@](C)(O)C[NH2+]Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001252571816 951464266 /nfs/dbraw/zinc/46/42/66/951464266.db2.gz KGXXBDVMMDHSBJ-KRWDZBQOSA-N 2 0 289.423 1.465 20 30 CDEDRP C=CCC[C@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001252620314 951511772 /nfs/dbraw/zinc/51/17/72/951511772.db2.gz UCSDRNVVISIMIC-XQLPTFJDSA-N 2 0 252.402 1.918 20 30 CDEDRP C=CCC[C@@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001252620313 951511996 /nfs/dbraw/zinc/51/19/96/951511996.db2.gz UCSDRNVVISIMIC-APIJFGDWSA-N 2 0 252.402 1.918 20 30 CDEDRP CC(C)(C)[NH2+]C[C@@H](O)CNC(=[NH2+])c1ccc(C#N)cc1 ZINC001253405398 951890599 /nfs/dbraw/zinc/89/05/99/951890599.db2.gz ZGEXCOJQHSKZRG-ZDUSSCGKSA-N 2 0 274.368 1.013 20 30 CDEDRP C=C[C@@H](O)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001253577886 951965392 /nfs/dbraw/zinc/96/53/92/951965392.db2.gz QODUQCIBFUBCJA-ZACQAIPSSA-N 2 0 294.439 1.214 20 30 CDEDRP C=C[C@@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001253578285 951966901 /nfs/dbraw/zinc/96/69/01/951966901.db2.gz YHPOANSNZKTJRL-BRWVUGGUSA-N 2 0 294.439 1.214 20 30 CDEDRP C=C[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001253578450 951968261 /nfs/dbraw/zinc/96/82/61/951968261.db2.gz BGKKWUUHHWSIIM-IXDOHACOSA-N 2 0 272.392 1.597 20 30 CDEDRP C=C[C@@H](O)C[NH2+]Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001253597611 951985883 /nfs/dbraw/zinc/98/58/83/951985883.db2.gz GNIHQFXLYOXUOI-MRXNPFEDSA-N 2 0 275.396 1.075 20 30 CDEDRP C=C[C@H](O)C[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001253597267 951985910 /nfs/dbraw/zinc/98/59/10/951985910.db2.gz CSWDWGRMZKZSIT-HNNXBMFYSA-N 2 0 275.396 1.075 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001318475206 958126457 /nfs/dbraw/zinc/12/64/57/958126457.db2.gz YZDCNSOAQQWRSQ-HUUCEWRRSA-N 2 0 281.444 1.826 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001419901949 962218572 /nfs/dbraw/zinc/21/85/72/962218572.db2.gz CCKQZMIQBJBDQS-QWHCGFSZSA-N 2 0 287.835 1.564 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC001343407763 963971959 /nfs/dbraw/zinc/97/19/59/963971959.db2.gz LEINDFMNDKNFRG-LSDHHAIUSA-N 2 0 281.444 1.907 20 30 CDEDRP C=CC[N@@H+](CC(=O)N1CC[NH2+]CC1)CC1CCCCC1 ZINC001349390518 966333114 /nfs/dbraw/zinc/33/31/14/966333114.db2.gz XHSANFWCRIIZGB-UHFFFAOYSA-N 2 0 279.428 1.487 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001824403 967309073 /nfs/dbraw/zinc/30/90/73/967309073.db2.gz FSLHDHKUZXPNRR-HOCLYGCPSA-N 2 0 291.439 1.036 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001825657 967310969 /nfs/dbraw/zinc/31/09/69/967310969.db2.gz NDUSRHHRKNYZAI-GDBMZVCRSA-N 2 0 293.455 1.588 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001449021321 967337396 /nfs/dbraw/zinc/33/73/96/967337396.db2.gz KMNACCXRNWEHPW-STQMWFEESA-N 2 0 299.846 1.660 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001393754176 977907098 /nfs/dbraw/zinc/90/70/98/977907098.db2.gz ZVNCMRVPXKPIRO-WCQYABFASA-N 2 0 287.835 1.517 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132248184 1163210374 /nfs/dbraw/zinc/21/03/74/1163210374.db2.gz CRBJARMAVIAXDZ-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001086700682 1163573310 /nfs/dbraw/zinc/57/33/10/1163573310.db2.gz GGCXSONYBDQPEA-XUWVNRHRSA-N 2 0 293.455 1.777 20 30 CDEDRP C=CCC[N@@H+](CC)[C@@H](C)CC(=O)N1CC[NH2+]CC1 ZINC001574915082 1171048941 /nfs/dbraw/zinc/04/89/41/1171048941.db2.gz AMASMJDBORCTNV-ZDUSSCGKSA-N 2 0 253.390 1.095 20 30 CDEDRP CC[N@H+](CCN1CC[NH2+]CC1)[C@H](C)c1ccc(C#N)cc1 ZINC001577722881 1171727636 /nfs/dbraw/zinc/72/76/36/1171727636.db2.gz QDTPDZJXQPBGEZ-OAHLLOKOSA-N 2 0 286.423 1.846 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC000591667755 342641140 /nfs/dbraw/zinc/64/11/40/342641140.db2.gz VSHTWKZZPCNQFO-JKSUJKDBSA-N 2 0 293.455 1.753 20 30 CDEDRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000591739462 342644910 /nfs/dbraw/zinc/64/49/10/342644910.db2.gz WDCGOHPOPDBFHO-CQSZACIVSA-N 2 0 277.416 1.046 20 30 CDEDRP N#Cc1c(CN2C[C@H]3C[NH2+]C[C@H]3C2)cn2ccccc12 ZINC000107579716 342406867 /nfs/dbraw/zinc/40/68/67/342406867.db2.gz XDGDWSZCHPZSDU-BETUJISGSA-N 2 0 266.348 1.462 20 30 CDEDRP CN1CC[C@@](O)(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000613040954 347381213 /nfs/dbraw/zinc/38/12/13/347381213.db2.gz MKZOTTZCJUFCIS-IAGOWNOFSA-N 2 0 285.391 1.592 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)CC[NH+](C)C1CCCCC1 ZINC000491620991 347584769 /nfs/dbraw/zinc/58/47/69/347584769.db2.gz GKGVIEJNQUJZFD-UHFFFAOYSA-N 2 0 293.455 1.712 20 30 CDEDRP C[NH+](C)CC1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602440006 350109283 /nfs/dbraw/zinc/10/92/83/350109283.db2.gz MSMFZBUDYAMONQ-UHFFFAOYSA-N 2 0 258.369 1.727 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(F)cc1 ZINC000264124087 362973321 /nfs/dbraw/zinc/97/33/21/362973321.db2.gz RTVOXXUVSQJZAT-AWEZNQCLSA-N 2 0 278.375 1.714 20 30 CDEDRP C#C[C@H](NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)C(C)C ZINC000262091375 359134450 /nfs/dbraw/zinc/13/44/50/359134450.db2.gz GKIJKYCJWTUPFC-STQMWFEESA-N 2 0 250.390 1.033 20 30 CDEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CNCCO1)CC2 ZINC000570036854 359274293 /nfs/dbraw/zinc/27/42/93/359274293.db2.gz WJNKYASUKPTULF-UKRRQHHQSA-N 2 0 257.337 1.124 20 30 CDEDRP C=C[C@@H](CC(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccccc1 ZINC000570634698 363835744 /nfs/dbraw/zinc/83/57/44/363835744.db2.gz DXVPOSVDUIYOMJ-GOEBONIOSA-N 2 0 287.407 1.448 20 30 CDEDRP C=CCn1cc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nn1 ZINC000644166555 364084000 /nfs/dbraw/zinc/08/40/00/364084000.db2.gz ZYIUNMWKTNBSKD-RBSFLKMASA-N 2 0 275.400 1.474 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000358295383 367580392 /nfs/dbraw/zinc/58/03/92/367580392.db2.gz DSEHQTMHXNQLPI-CQSZACIVSA-N 2 0 296.459 1.666 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000358816106 367906892 /nfs/dbraw/zinc/90/68/92/367906892.db2.gz RLJUWNAZPGOOPB-CYBMUJFWSA-N 2 0 282.432 1.276 20 30 CDEDRP C[C@H](NC[C@@H]1C[NH2+]CCN1C)c1cccc(C#N)c1 ZINC000423517586 374388766 /nfs/dbraw/zinc/38/87/66/374388766.db2.gz OCGZMXDJJNYQQI-WFASDCNBSA-N 2 0 258.369 1.112 20 30 CDEDRP C[NH+]=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)NC1CC1 ZINC000195165156 375991679 /nfs/dbraw/zinc/99/16/79/375991679.db2.gz PWWLDCFCIFMXJF-OAHLLOKOSA-N 2 0 286.423 1.836 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCC)CC1 ZINC000236728921 375985171 /nfs/dbraw/zinc/98/51/71/375985171.db2.gz SXLRPFKVAYPQCP-CYBMUJFWSA-N 2 0 253.390 1.271 20 30 CDEDRP C=CCN1CC[C@H]([NH+]2CCC([C@H]3CC[NH2+]C3)CC2)C1=O ZINC000420323514 376340055 /nfs/dbraw/zinc/34/00/55/376340055.db2.gz YKAZRVBLYIZNHE-GJZGRUSLSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CCNC(=O)[C@H](C)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247969194 377189886 /nfs/dbraw/zinc/18/98/86/377189886.db2.gz HDAKHINXGPAVQI-MELADBBJSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000283892619 378130168 /nfs/dbraw/zinc/13/01/68/378130168.db2.gz ILWMDSHZZYXZEM-UHFFFAOYSA-N 2 0 284.363 1.715 20 30 CDEDRP C[C@H](C[NH2+]Cc1ccc(C#N)o1)CN1CCOCC1 ZINC000174417678 379474394 /nfs/dbraw/zinc/47/43/94/379474394.db2.gz IGVNGKOOCLSBOH-GFCCVEGCSA-N 2 0 263.341 1.209 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC[C@H](CC(C)C)[NH+](C)C ZINC000103338380 390476298 /nfs/dbraw/zinc/47/62/98/390476298.db2.gz ROQHSQGAZZNFTN-ZDUSSCGKSA-N 2 0 280.416 1.921 20 30 CDEDRP CCCNC(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1 ZINC000104163113 390485975 /nfs/dbraw/zinc/48/59/75/390485975.db2.gz LEYOVGBPVRHMDP-UHFFFAOYSA-N 2 0 278.400 1.441 20 30 CDEDRP [NH2+]=C(NCC[NH+]1CCCC1)Nc1cc(F)ccc1F ZINC000262323000 391089874 /nfs/dbraw/zinc/08/98/74/391089874.db2.gz WHHYVQFETZSCQC-UHFFFAOYSA-N 2 0 268.311 1.787 20 30 CDEDRP C[C@H]([NH2+]C(C)(C)CNC(=[NH2+])N(C)C)c1ccccc1 ZINC000178567514 391188208 /nfs/dbraw/zinc/18/82/08/391188208.db2.gz VZTLDFPMLYDFMS-LBPRGKRZSA-N 2 0 262.401 1.992 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339426420 391298943 /nfs/dbraw/zinc/29/89/43/391298943.db2.gz LTIXMJNNUMGXEL-HUUCEWRRSA-N 2 0 252.402 1.731 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000348785214 391457947 /nfs/dbraw/zinc/45/79/47/391457947.db2.gz DXOZTICQPOWAHA-AWEZNQCLSA-N 2 0 267.417 1.339 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000349339140 391546163 /nfs/dbraw/zinc/54/61/63/391546163.db2.gz BQZLGBPZJOSGOU-CABCVRRESA-N 2 0 253.434 1.957 20 30 CDEDRP C=CC[N@@H+](C)CCN(CC)CC[NH+]1CCCCC1 ZINC000411638546 391494822 /nfs/dbraw/zinc/49/48/22/391494822.db2.gz HLVOKFUXNIZHPL-UHFFFAOYSA-N 2 0 253.434 1.912 20 30 CDEDRP C[NH+]=C(NCc1cc(C)no1)NC1CC[NH+](C(C)C)CC1 ZINC000114091034 260670839 /nfs/dbraw/zinc/67/08/39/260670839.db2.gz GCRDIWMIKONUCS-UHFFFAOYSA-N 2 0 293.415 1.521 20 30 CDEDRP COc1ccccc1CNC(=[NH2+])NCC1([NH+](C)C)CCC1 ZINC000275642680 263033848 /nfs/dbraw/zinc/03/38/48/263033848.db2.gz OMXNYWJVGWYBSM-UHFFFAOYSA-N 2 0 290.411 1.584 20 30 CDEDRP C[C@@H](CCNC1=[NH+]C[C@H](C)N1)[N@H+](C)Cc1ccccc1 ZINC000285041652 263089633 /nfs/dbraw/zinc/08/96/33/263089633.db2.gz KOABOAUQECMVDU-KBPBESRZSA-N 2 0 274.412 1.834 20 30 CDEDRP C[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[NH+](C)C ZINC000288729559 263105639 /nfs/dbraw/zinc/10/56/39/263105639.db2.gz NKQBEQBLCTZGMU-QMMMGPOBSA-N 2 0 256.300 1.642 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1nccs1 ZINC000290427605 263116525 /nfs/dbraw/zinc/11/65/25/263116525.db2.gz ARGFSWLOOVYACD-GFCCVEGCSA-N 2 0 295.456 1.464 20 30 CDEDRP COc1ccc(NC(=[NH2+])NC[C@H](C)C[NH+](C)C)cc1 ZINC000291930086 328267425 /nfs/dbraw/zinc/26/74/25/328267425.db2.gz OGKVIYJXNGWWQX-NSHDSACASA-N 2 0 264.373 1.620 20 30 CDEDRP CC[NH+]1CCC(C[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000584308083 327234186 /nfs/dbraw/zinc/23/41/86/327234186.db2.gz PCWPTPVSFGGIED-UHFFFAOYSA-N 2 0 298.394 1.422 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCOC[C@@H]1C ZINC000262638566 330023974 /nfs/dbraw/zinc/02/39/74/330023974.db2.gz HGVOBWOZIBPHAA-BFHYXJOUSA-N 2 0 282.432 1.048 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@]1(C)C(C)C ZINC000263072303 330042131 /nfs/dbraw/zinc/04/21/31/330042131.db2.gz GWFZXJUUICTGOW-VNHYZAJKSA-N 2 0 266.433 1.810 20 30 CDEDRP C=CCN1CC[C@H]([N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)C1=O ZINC000422633857 330150501 /nfs/dbraw/zinc/15/05/01/330150501.db2.gz IVVZYZFOCMVEPR-RFGFWPKPSA-N 2 0 265.401 1.079 20 30 CDEDRP C[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]1CCC(C)CC1 ZINC000424140623 330281240 /nfs/dbraw/zinc/28/12/40/330281240.db2.gz BMBVJKKFNWAXDN-KGLIPLIRSA-N 2 0 280.416 1.244 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000491716648 332306503 /nfs/dbraw/zinc/30/65/03/332306503.db2.gz UHIKIYCNLMYKNU-UHFFFAOYSA-N 2 0 274.368 1.587 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000177045453 333053000 /nfs/dbraw/zinc/05/30/00/333053000.db2.gz JZHMTCRFAHEZLA-UKRRQHHQSA-N 2 0 289.423 1.073 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001026464643 1159617151 /nfs/dbraw/zinc/61/71/51/1159617151.db2.gz OXXKPQBOCKPXRN-JXQTWKCFSA-N 2 0 299.846 1.850 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001753721247 1159894457 /nfs/dbraw/zinc/89/44/57/1159894457.db2.gz PLLIGDKBMAGYLF-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001075785319 1160181005 /nfs/dbraw/zinc/18/10/05/1160181005.db2.gz YFKCXHFQOWVGFC-ARFHVFGLSA-N 2 0 291.439 1.578 20 30 CDEDRP CCC#C[C@@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000677047527 482458927 /nfs/dbraw/zinc/45/89/27/482458927.db2.gz DDXHOQFYDZBEQP-OAHLLOKOSA-N 2 0 264.413 1.833 20 30 CDEDRP COCC#CCN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000677820615 482795876 /nfs/dbraw/zinc/79/58/76/482795876.db2.gz RBLNHKYQKQKWNJ-HNNXBMFYSA-N 2 0 250.386 1.300 20 30 CDEDRP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C1 ZINC001755144293 1185829619 /nfs/dbraw/zinc/82/96/19/1185829619.db2.gz ZQVRKLGHAHDNQE-AWEZNQCLSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001113454545 1162181183 /nfs/dbraw/zinc/18/11/83/1162181183.db2.gz PCBRHGBAAOMDBM-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000960255499 612971461 /nfs/dbraw/zinc/97/14/61/612971461.db2.gz PLVBADUGWFUTPT-BRWVUGGUSA-N 2 0 297.402 1.086 20 30 CDEDRP C#CCC[N@H+]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000981327719 613001866 /nfs/dbraw/zinc/00/18/66/613001866.db2.gz XNKOPQFXVCLZTE-UHFFFAOYSA-N 2 0 277.412 1.028 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000972071412 613088759 /nfs/dbraw/zinc/08/87/59/613088759.db2.gz WXUXUMKDTVSBNI-AWEZNQCLSA-N 2 0 277.412 1.027 20 30 CDEDRP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000957386429 613245229 /nfs/dbraw/zinc/24/52/29/613245229.db2.gz YSYRCOPITYNPDR-CQSZACIVSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947614976 613256698 /nfs/dbraw/zinc/25/66/98/613256698.db2.gz BWZLXSQPPZXHIQ-GJZGRUSLSA-N 2 0 291.439 1.463 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)C[C@H](C)n2ccnc2)CC1 ZINC000950962603 613258488 /nfs/dbraw/zinc/25/84/88/613258488.db2.gz SVGDTOOMPPIOCE-HNNXBMFYSA-N 2 0 290.411 1.945 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000950510756 613259061 /nfs/dbraw/zinc/25/90/61/613259061.db2.gz XPODHDSQDRDDJT-LSDHHAIUSA-N 2 0 279.428 1.295 20 30 CDEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000972330429 613288684 /nfs/dbraw/zinc/28/86/84/613288684.db2.gz GFTGDJVPWQQUHL-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974991006 613337521 /nfs/dbraw/zinc/33/75/21/613337521.db2.gz AXFKIEPCSJOEBX-OAHLLOKOSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000969722900 613385471 /nfs/dbraw/zinc/38/54/71/613385471.db2.gz UTCRWXKIRLCEHU-MELADBBJSA-N 2 0 299.846 1.660 20 30 CDEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000960578703 613564454 /nfs/dbraw/zinc/56/44/54/613564454.db2.gz MGCYBJZNWAMUTP-LJISPDSOSA-N 2 0 277.412 1.093 20 30 CDEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC000960578698 613564928 /nfs/dbraw/zinc/56/49/28/613564928.db2.gz MGCYBJZNWAMUTP-BARDWOONSA-N 2 0 277.412 1.093 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000972479505 613616624 /nfs/dbraw/zinc/61/66/24/613616624.db2.gz VESJNHSFZKYVSV-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970528189 613662049 /nfs/dbraw/zinc/66/20/49/613662049.db2.gz CRQDEGKLSQUEOS-ZBFHGGJFSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000981198022 613694663 /nfs/dbraw/zinc/69/46/63/613694663.db2.gz WBEDLISTEFOAPO-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975046650 613806156 /nfs/dbraw/zinc/80/61/56/613806156.db2.gz DMYSEPISKVSFST-CQSZACIVSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000965841844 613858168 /nfs/dbraw/zinc/85/81/68/613858168.db2.gz KSNLXALBHUGOLC-HOUHCIJLSA-N 2 0 291.439 1.531 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOC1CCCC1 ZINC000104182587 618081986 /nfs/dbraw/zinc/08/19/86/618081986.db2.gz ZDGHABMONOEBAB-AWEZNQCLSA-N 2 0 296.459 1.724 20 30 CDEDRP C=CCOc1ccc(C[NH2+]C2CC([NH3+])C2)cc1OC ZINC000906507831 627295847 /nfs/dbraw/zinc/29/58/47/627295847.db2.gz FDIHJRSMSAVUGO-UHFFFAOYSA-N 2 0 262.353 1.839 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158100264 1162721073 /nfs/dbraw/zinc/72/10/73/1162721073.db2.gz ZQDIMUXVMXSLBX-HNNXBMFYSA-N 2 0 291.439 1.370 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130867880 1162740446 /nfs/dbraw/zinc/74/04/46/1162740446.db2.gz RTYWSYFMICHBEQ-UHFFFAOYSA-N 2 0 278.743 1.406 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001086658875 1162802218 /nfs/dbraw/zinc/80/22/18/1162802218.db2.gz CHFISDOEJDKCSU-ZNMIVQPWSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001104322377 1158727273 /nfs/dbraw/zinc/72/72/73/1158727273.db2.gz FTWRJOOXWCAXBS-OAGGEKHMSA-N 2 0 293.455 1.280 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131789928 1163048384 /nfs/dbraw/zinc/04/83/84/1163048384.db2.gz BDPSFFGLXKAPKB-CQSZACIVSA-N 2 0 265.401 1.143 20 30 CDEDRP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2 ZINC001035197473 1161521490 /nfs/dbraw/zinc/52/14/90/1161521490.db2.gz OLTXZVJSAWYNOX-OAHLLOKOSA-N 2 0 291.439 1.274 20 30 CDEDRP CC#CC[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132377002 1163262422 /nfs/dbraw/zinc/26/24/22/1163262422.db2.gz SHWZIOZUYQEEEF-LSDHHAIUSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001133261452 1163617103 /nfs/dbraw/zinc/61/71/03/1163617103.db2.gz APCBBHMBDYEYRC-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CC[N@@H+](C)CCN(CC)C(=O)CCC12CC(C1)C[NH2+]2 ZINC001574920759 1171049583 /nfs/dbraw/zinc/04/95/83/1171049583.db2.gz HJMJWRVMSLTOSN-UHFFFAOYSA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CC[C@@H](CO)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC001574962198 1171064060 /nfs/dbraw/zinc/06/40/60/1171064060.db2.gz HGTCKXAIUFTURT-HNNXBMFYSA-N 2 0 258.365 1.196 20 30 CDEDRP CC#CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC001574972750 1171071747 /nfs/dbraw/zinc/07/17/47/1171071747.db2.gz PMEVALMXQAAPLZ-ZIAGYGMSSA-N 2 0 291.395 1.519 20 30 CDEDRP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001673380919 1173850705 /nfs/dbraw/zinc/85/07/05/1173850705.db2.gz OTRVSALTVLECBC-GJZGRUSLSA-N 2 0 279.428 1.177 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC000152284696 1178110842 /nfs/dbraw/zinc/11/08/42/1178110842.db2.gz FMINCFIJOUYFMF-UHFFFAOYSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001716163958 1180077469 /nfs/dbraw/zinc/07/74/69/1180077469.db2.gz JMMGHIFPCXHONY-CHWSQXEVSA-N 2 0 253.390 1.141 20 30 CDEDRP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001732314376 1182903707 /nfs/dbraw/zinc/90/37/07/1182903707.db2.gz DXDVXQSWANORLP-MRXNPFEDSA-N 2 0 287.407 1.673 20 30 CDEDRP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001752159004 1184827300 /nfs/dbraw/zinc/82/73/00/1184827300.db2.gz YGJCIPSLZJHDNS-GJZGRUSLSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[NH2+][C@@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001752901437 1184956859 /nfs/dbraw/zinc/95/68/59/1184956859.db2.gz QLCGVWLJZMLWGR-WFASDCNBSA-N 2 0 285.407 1.479 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001753110461 1185067030 /nfs/dbraw/zinc/06/70/30/1185067030.db2.gz NTORVFGKZIEUAY-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CCC[NH2+]CC1(NC(=O)C[N@@H+](C)C(C)C)CCCC1 ZINC001753511847 1185242429 /nfs/dbraw/zinc/24/24/29/1185242429.db2.gz OYPSZKFPTRQDPC-UHFFFAOYSA-N 2 0 279.428 1.369 20 30 CDEDRP C#CCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]21 ZINC001753874679 1185376243 /nfs/dbraw/zinc/37/62/43/1185376243.db2.gz AKHATCXNMVMRIT-HOTGVXAUSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@H]21 ZINC001753877061 1185376359 /nfs/dbraw/zinc/37/63/59/1185376359.db2.gz YHDAYWIMRJCAHS-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001753896533 1185384796 /nfs/dbraw/zinc/38/47/96/1185384796.db2.gz CDLLCPYRTUZRHN-CABCVRRESA-N 2 0 291.439 1.533 20 30 CDEDRP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001753996791 1185422236 /nfs/dbraw/zinc/42/22/36/1185422236.db2.gz NBTXRSWVIZIFJD-AWEZNQCLSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001754180541 1185496882 /nfs/dbraw/zinc/49/68/82/1185496882.db2.gz DYFFRUYOGNOYLT-UDLYIEAKSA-N 2 0 289.423 1.289 20 30 CDEDRP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001754803411 1185734892 /nfs/dbraw/zinc/73/48/92/1185734892.db2.gz BTTREEAMYHEQJD-GJZGRUSLSA-N 2 0 281.444 1.731 20 30 CDEDRP C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001755251397 1185877207 /nfs/dbraw/zinc/87/72/07/1185877207.db2.gz YXBMSIBGXZXWNN-KGLIPLIRSA-N 2 0 281.444 1.777 20 30 CDEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001755369046 1185929482 /nfs/dbraw/zinc/92/94/82/1185929482.db2.gz SGGSQXKSMBCYOY-HNNXBMFYSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134120608 1164060554 /nfs/dbraw/zinc/06/05/54/1164060554.db2.gz DHPFBJBQHWKUNI-CVEARBPZSA-N 2 0 287.407 1.224 20 30 CDEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001114422860 1164949009 /nfs/dbraw/zinc/94/90/09/1164949009.db2.gz JBSWLLWTHQLZCB-LJIGWXMPSA-N 2 0 291.439 1.483 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000996477703 811855300 /nfs/dbraw/zinc/85/53/00/811855300.db2.gz MWGYJTWEHRKFET-HOCLYGCPSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC1(C)C ZINC000996003884 812387432 /nfs/dbraw/zinc/38/74/32/812387432.db2.gz BLEQUKZAMRHGFI-OAHLLOKOSA-N 2 0 296.374 1.408 20 30 CDEDRP C[C@@H](CNC(=[NH2+])N1CCSCC1)[N@@H+]1CCCC[C@@H]1C ZINC000262026770 813180147 /nfs/dbraw/zinc/18/01/47/813180147.db2.gz ZRBZVXJRJHDLMJ-STQMWFEESA-N 2 0 284.473 1.613 20 30 CDEDRP CC(C)CCNC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000303891364 814343323 /nfs/dbraw/zinc/34/33/23/814343323.db2.gz NCQFNBUQTFXJQS-GFCCVEGCSA-N 2 0 252.406 1.421 20 30 CDEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CCCCN3C)CCC[C@@H]12 ZINC000992115200 805356488 /nfs/dbraw/zinc/35/64/88/805356488.db2.gz AVEPBPQSVLEKQN-UXLLHSPISA-N 2 0 291.439 1.770 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034130146 811352849 /nfs/dbraw/zinc/35/28/49/811352849.db2.gz GHEVLRYYNWXUPV-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(Cl)CN1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001000522366 811804032 /nfs/dbraw/zinc/80/40/32/811804032.db2.gz QGLHGBHPMDQVBF-AWEZNQCLSA-N 2 0 297.830 1.581 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848353112 811824468 /nfs/dbraw/zinc/82/44/68/811824468.db2.gz XJBXAYNPYHYXIS-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001049721293 811825224 /nfs/dbraw/zinc/82/52/24/811825224.db2.gz ZRYLSWUPXILJKL-OWCLPIDISA-N 2 0 291.439 1.580 20 30 CDEDRP C#C[C@@](C)(CC)[NH2+]CC1(C[NH2+][C@@](C)(C#C)CC)COC1 ZINC000852100812 812015758 /nfs/dbraw/zinc/01/57/58/812015758.db2.gz JHODEZPPBLMILW-HOTGVXAUSA-N 2 0 276.424 1.786 20 30 CDEDRP C#C[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000775574002 812018142 /nfs/dbraw/zinc/01/81/42/812018142.db2.gz MYVWNDOXMLEEBF-SNPRPXQTSA-N 2 0 250.386 1.487 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001049064761 812082157 /nfs/dbraw/zinc/08/21/57/812082157.db2.gz LFKXQIMEGPBOFZ-ZNMIVQPWSA-N 2 0 279.428 1.293 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]2C1 ZINC001049057964 812213534 /nfs/dbraw/zinc/21/35/34/812213534.db2.gz TYJBETLVQQHCEY-OAGGEKHMSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001032206365 812344193 /nfs/dbraw/zinc/34/41/93/812344193.db2.gz YGIJVKHYPDTUNM-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071795552 812383938 /nfs/dbraw/zinc/38/39/38/812383938.db2.gz LGBGNVUFBSIPES-GOEBONIOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001019518278 812560276 /nfs/dbraw/zinc/56/02/76/812560276.db2.gz GWPVBGXMPJUNFY-INIZCTEOSA-N 2 0 287.407 1.738 20 30 CDEDRP C[C@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])N1CCOCC1 ZINC000104169762 812650698 /nfs/dbraw/zinc/65/06/98/812650698.db2.gz HPSJGZSIFMUDGP-AWEZNQCLSA-N 2 0 282.432 1.288 20 30 CDEDRP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001000521831 812733738 /nfs/dbraw/zinc/73/37/38/812733738.db2.gz ONYJIFPLUFZURL-INIZCTEOSA-N 2 0 291.439 1.795 20 30 CDEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH+]C)N1CC[C@]2(CCOC2)C1 ZINC000158094389 812809395 /nfs/dbraw/zinc/80/93/95/812809395.db2.gz ZGMOHEWUICZAIU-HOCLYGCPSA-N 2 0 296.459 1.405 20 30 CDEDRP N#Cc1ccc(NCC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC000925893895 812825660 /nfs/dbraw/zinc/82/56/60/812825660.db2.gz RWWTXEBELGKGEW-OLZOCXBDSA-N 2 0 259.357 1.225 20 30 CDEDRP CC(C)NC(=[NH2+])NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000303890505 813001967 /nfs/dbraw/zinc/00/19/67/813001967.db2.gz QDVIVWUUWYWCEV-MRXNPFEDSA-N 2 0 288.439 1.864 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@@H]21 ZINC001036736770 813013993 /nfs/dbraw/zinc/01/39/93/813013993.db2.gz GOVDOKKXZKTRLW-ZBFHGGJFSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000999203642 813099650 /nfs/dbraw/zinc/09/96/50/813099650.db2.gz CDPSUBPKKJKKJZ-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)Cc3[nH]cnc3C)C2)C1 ZINC001073151208 813589801 /nfs/dbraw/zinc/58/98/01/813589801.db2.gz AJIBZUBIPVGHLH-UHFFFAOYSA-N 2 0 288.395 1.371 20 30 CDEDRP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041828441 813651850 /nfs/dbraw/zinc/65/18/50/813651850.db2.gz BHFVHPCNIRVCTN-WBVHZDCISA-N 2 0 291.439 1.439 20 30 CDEDRP C=CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033420444 813811521 /nfs/dbraw/zinc/81/15/21/813811521.db2.gz OZBLWSGUZKMHEX-UONOGXRCSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001020590174 813818464 /nfs/dbraw/zinc/81/84/64/813818464.db2.gz OHLCXXSUZABJJP-XEZPLFJOSA-N 2 0 297.418 1.622 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC ZINC001037859144 813836374 /nfs/dbraw/zinc/83/63/74/813836374.db2.gz IBTDKZCVEJOOIZ-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000855289592 813857376 /nfs/dbraw/zinc/85/73/76/813857376.db2.gz RVEZPCBJVOOJHS-HNNXBMFYSA-N 2 0 291.439 1.321 20 30 CDEDRP N#CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817917450 813874449 /nfs/dbraw/zinc/87/44/49/813874449.db2.gz GVXYZXRMXUFKBZ-DZGCQCFKSA-N 2 0 259.353 1.806 20 30 CDEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC000985693682 813874694 /nfs/dbraw/zinc/87/46/94/813874694.db2.gz DEPWCESLDHVCGC-CYBMUJFWSA-N 2 0 288.395 1.144 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001052712499 813923882 /nfs/dbraw/zinc/92/38/82/813923882.db2.gz JMZSMPKTRKTXAD-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001040263119 813996397 /nfs/dbraw/zinc/99/63/97/813996397.db2.gz YJUVQPHZRRADGF-WBVHZDCISA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001026548398 814008992 /nfs/dbraw/zinc/00/89/92/814008992.db2.gz YNRHVLWODSJEEU-FXQLRMTLSA-N 2 0 293.455 1.920 20 30 CDEDRP C[NH+](C)CC1(O)CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000931481073 814095926 /nfs/dbraw/zinc/09/59/26/814095926.db2.gz CIIUBEIGMWGBJA-STQMWFEESA-N 2 0 251.374 1.067 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001074657989 814134384 /nfs/dbraw/zinc/13/43/84/814134384.db2.gz QUTIOBADJHKGAQ-RQJABVFESA-N 2 0 299.846 1.658 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC000987572347 814168824 /nfs/dbraw/zinc/16/88/24/814168824.db2.gz UFCSSBPQJUETQL-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000999293343 814169358 /nfs/dbraw/zinc/16/93/58/814169358.db2.gz KDKGOPHMOQUGAE-FXQLRMTLSA-N 2 0 293.455 1.872 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001049060315 814216048 /nfs/dbraw/zinc/21/60/48/814216048.db2.gz RLRQKXVBWGOTJX-LVQVYYBASA-N 2 0 291.439 1.150 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(C)C ZINC001032453929 814231073 /nfs/dbraw/zinc/23/10/73/814231073.db2.gz VPIQVESODQACAP-JYJNAYRXSA-N 2 0 289.423 1.025 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033580439 814286654 /nfs/dbraw/zinc/28/66/54/814286654.db2.gz DUARSUGWHFOYNQ-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001049215007 814305018 /nfs/dbraw/zinc/30/50/18/814305018.db2.gz FVGONHXNTBQOQK-GASCZTMLSA-N 2 0 277.412 1.049 20 30 CDEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006292831 814397216 /nfs/dbraw/zinc/39/72/16/814397216.db2.gz UUXNCMZHNLFDGA-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034776103 814412226 /nfs/dbraw/zinc/41/22/26/814412226.db2.gz PVSDAQGGHPKZSZ-BZUAXINKSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001045555165 814549724 /nfs/dbraw/zinc/54/97/24/814549724.db2.gz YEKUMIUYUATJRX-CABCVRRESA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001028759511 814605445 /nfs/dbraw/zinc/60/54/45/814605445.db2.gz VYHGCZHPSAWKBQ-JKSUJKDBSA-N 2 0 291.439 1.180 20 30 CDEDRP C#CCC[N@H+]1CCCC[C@@H](NC(=O)Cn2cncc2C)C1 ZINC001034309391 814628381 /nfs/dbraw/zinc/62/83/81/814628381.db2.gz LISGUGMIVMOONE-OAHLLOKOSA-N 2 0 288.395 1.186 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995895925 814642909 /nfs/dbraw/zinc/64/29/09/814642909.db2.gz NEDZJEJIPQCBTR-KBPBESRZSA-N 2 0 279.428 1.339 20 30 CDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+](CC)C1CC1 ZINC000876749288 816752601 /nfs/dbraw/zinc/75/26/01/816752601.db2.gz MQRPMRTWEHYMMD-NSHDSACASA-N 2 0 259.781 1.057 20 30 CDEDRP C=CC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990761257 816803362 /nfs/dbraw/zinc/80/33/62/816803362.db2.gz IGDUFBOQOZCLGY-ANQUJSFKSA-N 2 0 291.439 1.626 20 30 CDEDRP COc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)ccc1C#N ZINC000723674942 816809430 /nfs/dbraw/zinc/80/94/30/816809430.db2.gz CGMGRWQVSUTGES-GFCCVEGCSA-N 2 0 259.353 1.738 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033182874 816823780 /nfs/dbraw/zinc/82/37/80/816823780.db2.gz SUIWFJQIAVVPAF-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001022585891 816824306 /nfs/dbraw/zinc/82/43/06/816824306.db2.gz VZDDGBDGOURCIU-OAGGEKHMSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001038268378 816882192 /nfs/dbraw/zinc/88/21/92/816882192.db2.gz IWDHGUOQYYVLSL-MGPQQGTHSA-N 2 0 265.401 1.093 20 30 CDEDRP C=C(C)C[NH2+]C1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001026553170 816911276 /nfs/dbraw/zinc/91/12/76/816911276.db2.gz OVGMOCUHLIYXRF-UHFFFAOYSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001015701082 817071059 /nfs/dbraw/zinc/07/10/59/817071059.db2.gz CQOIVEXYIYFRDD-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002043548 817116762 /nfs/dbraw/zinc/11/67/62/817116762.db2.gz RJFUCQTYDVBEMB-UHFFFAOYSA-N 2 0 277.412 1.096 20 30 CDEDRP C[NH+](C)CC1(CNC(=[NH2+])NCC2CCC2)CCCC1 ZINC000305810401 817176767 /nfs/dbraw/zinc/17/67/67/817176767.db2.gz IVZQPXKDWBKYBQ-UHFFFAOYSA-N 2 0 266.433 1.813 20 30 CDEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001026149200 817227919 /nfs/dbraw/zinc/22/79/19/817227919.db2.gz WRBSDNHNKDLMPK-LFPSSSAGSA-N 2 0 291.439 1.482 20 30 CDEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001045441416 817344313 /nfs/dbraw/zinc/34/43/13/817344313.db2.gz FGQGFXCPRGJNGW-OAHLLOKOSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034523678 817440894 /nfs/dbraw/zinc/44/08/94/817440894.db2.gz AGGDVLXRGSLGNN-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[NH2+]CC)C2)CC1 ZINC001024276404 817570290 /nfs/dbraw/zinc/57/02/90/817570290.db2.gz FYKPEVPDIXJECR-OAHLLOKOSA-N 2 0 291.439 1.180 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)c2ccn3c(C)cnc3c2)C1 ZINC000999163621 817655113 /nfs/dbraw/zinc/65/51/13/817655113.db2.gz OLJUYTOCSCRQFH-OAHLLOKOSA-N 2 0 296.374 1.470 20 30 CDEDRP CCCCCCNC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000303784677 817683776 /nfs/dbraw/zinc/68/37/76/817683776.db2.gz PPCXTHWTHKBXIR-UHFFFAOYSA-N 2 0 254.422 1.957 20 30 CDEDRP CC(=NNC1=[NH+][C@H](C)CN1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779787007 817734733 /nfs/dbraw/zinc/73/47/33/817734733.db2.gz SYQBAXDFMOFTHN-CZUORRHYSA-N 2 0 299.422 1.822 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC000993806461 817757844 /nfs/dbraw/zinc/75/78/44/817757844.db2.gz PCGJOHFOMQTJOB-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001019823146 817817187 /nfs/dbraw/zinc/81/71/87/817817187.db2.gz AKFOMSRQEQBBNA-GJZGRUSLSA-N 2 0 279.428 1.483 20 30 CDEDRP CC1(C#N)CCC([NH2+]C[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000823825335 817821532 /nfs/dbraw/zinc/82/15/32/817821532.db2.gz KVIRCCAGQOPHSI-FYRZTWFESA-N 2 0 277.412 1.912 20 30 CDEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997517245 817882902 /nfs/dbraw/zinc/88/29/02/817882902.db2.gz XKLRWESNYTWZKC-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033927194 817901613 /nfs/dbraw/zinc/90/16/13/817901613.db2.gz JXHWBWMMRGBFEC-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041828440 817966830 /nfs/dbraw/zinc/96/68/30/817966830.db2.gz BHFVHPCNIRVCTN-RDJZCZTQSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](CC)CC)C1 ZINC001111909528 1167008380 /nfs/dbraw/zinc/00/83/80/1167008380.db2.gz BMSJMQCUMCFPJC-RDJZCZTQSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001046569836 913584347 /nfs/dbraw/zinc/58/43/47/913584347.db2.gz OQPNYSKWBGTFSH-ZOBUZTSGSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCCOC)CC1 ZINC001209055327 894467456 /nfs/dbraw/zinc/46/74/56/894467456.db2.gz VUDURDXSSRGZMN-UHFFFAOYSA-N 2 0 281.444 1.315 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC(=C)C)C2)CC1 ZINC001021090241 895100958 /nfs/dbraw/zinc/10/09/58/895100958.db2.gz PVICKAOMDLELND-WKILWMFISA-N 2 0 289.423 1.145 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001167619866 897063906 /nfs/dbraw/zinc/06/39/06/897063906.db2.gz MMMPQPZBRXZZHZ-OAHLLOKOSA-N 2 0 281.444 1.923 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001104678817 898876758 /nfs/dbraw/zinc/87/67/58/898876758.db2.gz CNJNCDOUVLSJPL-ARFHVFGLSA-N 2 0 291.439 1.036 20 30 CDEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001104809356 899525835 /nfs/dbraw/zinc/52/58/35/899525835.db2.gz GFXGDYXCXLWWPJ-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC[C@@H](C)F)CC1 ZINC001176926535 914360355 /nfs/dbraw/zinc/36/03/55/914360355.db2.gz OZHTZRPTGSWURG-CQSZACIVSA-N 2 0 297.418 1.176 20 30 CDEDRP C=CC[NH2+]C1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001026571744 899990291 /nfs/dbraw/zinc/99/02/91/899990291.db2.gz JTJFTIRIBQOEHJ-UHFFFAOYSA-N 2 0 293.455 1.921 20 30 CDEDRP CN(C)C=[NH+]c1ccc(NC(=N)SCC[NH3+])cc1C#N ZINC001167911563 902105320 /nfs/dbraw/zinc/10/53/20/902105320.db2.gz AFNKJTFXVDXMKZ-RQZCQDPDSA-N 2 0 290.396 1.818 20 30 CDEDRP C=CC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000985443400 906650535 /nfs/dbraw/zinc/65/05/35/906650535.db2.gz ZOXWULBIYPDADT-JKSUJKDBSA-N 2 0 293.455 1.826 20 30 CDEDRP C#CCN1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171760192 910935726 /nfs/dbraw/zinc/93/57/26/910935726.db2.gz RUNSBTYLJVAUBY-IEBWSBKVSA-N 2 0 297.446 1.900 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)C1CC[NH+](C)CC1 ZINC001179464552 915844535 /nfs/dbraw/zinc/84/45/35/915844535.db2.gz XSYNMHVZJYEUQX-UHFFFAOYSA-N 2 0 293.455 1.618 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001179587330 915888703 /nfs/dbraw/zinc/88/87/03/915888703.db2.gz YNOQJNUDBGSQKW-INIZCTEOSA-N 2 0 293.455 1.618 20 30 CDEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203360960 916106963 /nfs/dbraw/zinc/10/69/63/916106963.db2.gz ZUSDHISCLHUAHP-LSDHHAIUSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+](CC)CC ZINC001180390850 916307177 /nfs/dbraw/zinc/30/71/77/916307177.db2.gz IVTIIJKSOFESST-ZDUSSCGKSA-N 2 0 253.390 1.095 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000303905514 935047452 /nfs/dbraw/zinc/04/74/52/935047452.db2.gz ZMGQMYVCYGQFTP-IPYPFGDCSA-N 2 0 284.448 1.436 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032128784 917838409 /nfs/dbraw/zinc/83/84/09/917838409.db2.gz KBSXHNJDVIZKKZ-CVEARBPZSA-N 2 0 293.455 1.731 20 30 CDEDRP CCC[N@H+](CC)CCNC(=[NH2+])NC[C@H]1CCC[NH+]1CC ZINC000083052904 918095819 /nfs/dbraw/zinc/09/58/19/918095819.db2.gz OQQUZJMTDDRYSQ-CQSZACIVSA-N 3 0 283.464 1.107 20 30 CDEDRP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001000850199 936541383 /nfs/dbraw/zinc/54/13/83/936541383.db2.gz IGUUKUXSBALKKB-INIZCTEOSA-N 2 0 289.423 1.242 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000997367514 919128289 /nfs/dbraw/zinc/12/82/89/919128289.db2.gz KJRSYOGQEVVEFZ-UHFFFAOYSA-N 2 0 299.418 1.576 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001184858262 919316390 /nfs/dbraw/zinc/31/63/90/919316390.db2.gz IXLPHYSFGRHXDL-RBSFLKMASA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185073950 919411278 /nfs/dbraw/zinc/41/12/78/919411278.db2.gz VXUAHUSZJCIJTF-CABCVRRESA-N 2 0 281.444 1.588 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185249107 919498346 /nfs/dbraw/zinc/49/83/46/919498346.db2.gz OIAHKDGPJVPHOI-GFCCVEGCSA-N 2 0 273.808 1.271 20 30 CDEDRP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1CC[NH+](C)CC1 ZINC001272888425 919965571 /nfs/dbraw/zinc/96/55/71/919965571.db2.gz YUEYZHVZKJADPX-HZPDHXFCSA-N 2 0 291.439 1.580 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001186428062 920026336 /nfs/dbraw/zinc/02/63/36/920026336.db2.gz MIPJMZVKEOQCNZ-CABCVRRESA-N 2 0 279.428 1.177 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001188138750 920855906 /nfs/dbraw/zinc/85/59/06/920855906.db2.gz BMSRVLHZAYLFHV-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP C[N@@H+](Cc1ccc(C#N)nc1)CC1CC[NH+](C)CC1 ZINC001140543914 936722665 /nfs/dbraw/zinc/72/26/65/936722665.db2.gz VAPDHSORTXLSSR-UHFFFAOYSA-N 2 0 258.369 1.727 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034378058 922618025 /nfs/dbraw/zinc/61/80/25/922618025.db2.gz OUMBVAWDEIABPS-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001034794677 922821616 /nfs/dbraw/zinc/82/16/16/922821616.db2.gz NUCCHYPDNATBHK-HDJSIYSDSA-N 2 0 265.401 1.285 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192020145 922875588 /nfs/dbraw/zinc/87/55/88/922875588.db2.gz ZTUDBRROBRAWMH-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001192342231 923014326 /nfs/dbraw/zinc/01/43/26/923014326.db2.gz AJGRYOIJQJNADF-LSDHHAIUSA-N 2 0 277.412 1.027 20 30 CDEDRP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001192344454 923016468 /nfs/dbraw/zinc/01/64/68/923016468.db2.gz XCNQFYRJFDCDPE-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001192354206 923029292 /nfs/dbraw/zinc/02/92/92/923029292.db2.gz JLQOORCIUWLAPD-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP C[Si](C)(C)C#C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162965734 923279579 /nfs/dbraw/zinc/27/95/79/923279579.db2.gz MDFMTIKHGQRWRO-CQSZACIVSA-N 2 0 280.488 1.963 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192948195 923334670 /nfs/dbraw/zinc/33/46/70/923334670.db2.gz PYTDKLWINFMWTO-CQSZACIVSA-N 2 0 267.417 1.437 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193461141 923694085 /nfs/dbraw/zinc/69/40/85/923694085.db2.gz FRAZYXHEUAEVPW-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193461140 923694625 /nfs/dbraw/zinc/69/46/25/923694625.db2.gz FRAZYXHEUAEVPW-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194227727 924123678 /nfs/dbraw/zinc/12/36/78/924123678.db2.gz MJRVWPSMPSZIMN-MRXNPFEDSA-N 2 0 291.439 1.418 20 30 CDEDRP C=CCOC(=O)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001194312463 924151858 /nfs/dbraw/zinc/15/18/58/924151858.db2.gz QDOIKAZWUCSGLX-UHFFFAOYSA-N 2 0 281.400 1.268 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001080332447 924533748 /nfs/dbraw/zinc/53/37/48/924533748.db2.gz ZPHHYQAFTRMXJT-FXUDXRNXSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001101033391 936952982 /nfs/dbraw/zinc/95/29/82/936952982.db2.gz QWWKEGPZBIQYRV-UHFFFAOYSA-N 2 0 279.428 1.533 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001164455929 924892198 /nfs/dbraw/zinc/89/21/98/924892198.db2.gz JSYUULPMKYYQOM-HNNXBMFYSA-N 2 0 279.428 1.228 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001082742850 924991044 /nfs/dbraw/zinc/99/10/44/924991044.db2.gz UQTXRFIFSDGWNF-RBSFLKMASA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340291 925161079 /nfs/dbraw/zinc/16/10/79/925161079.db2.gz KHMUVDDRSMOQJX-OAHLLOKOSA-N 2 0 281.444 1.923 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001084409086 925254945 /nfs/dbraw/zinc/25/49/45/925254945.db2.gz ILYWSKGOYWNWQN-UKRRQHHQSA-N 2 0 277.412 1.189 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cncn3C)[C@@H]2C1 ZINC001084774835 925421264 /nfs/dbraw/zinc/42/12/64/925421264.db2.gz GZRRDSQAUKBVMC-UKRRQHHQSA-N 2 0 288.395 1.071 20 30 CDEDRP C=CC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369904 937053693 /nfs/dbraw/zinc/05/36/93/937053693.db2.gz JZILUFKKTJLJHD-RRFJBIMHSA-N 2 0 279.428 1.198 20 30 CDEDRP C[NH+]1CCN(c2cc(Nc3cnc(C#N)cn3)cc[nH+]2)CC1 ZINC001201647528 926375581 /nfs/dbraw/zinc/37/55/81/926375581.db2.gz DTBKFKIPZDDSSH-UHFFFAOYSA-N 2 0 295.350 1.239 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001202225072 926501813 /nfs/dbraw/zinc/50/18/13/926501813.db2.gz QAFPZEHPCKBNFA-UHFFFAOYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202316249 926531102 /nfs/dbraw/zinc/53/11/02/926531102.db2.gz SNEAIQBTKHWFSZ-AWEZNQCLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001085987506 926571036 /nfs/dbraw/zinc/57/10/36/926571036.db2.gz DYGNPUKMRYXNIT-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001202472555 926610966 /nfs/dbraw/zinc/61/09/66/926610966.db2.gz ACVFKJQTIRTVDD-HNNXBMFYSA-N 2 0 279.428 1.321 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001086046032 926637613 /nfs/dbraw/zinc/63/76/13/926637613.db2.gz HYSMIYJKVHHKBV-HZSPNIEDSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086217066 926839008 /nfs/dbraw/zinc/83/90/08/926839008.db2.gz MGAGIIACOPBOAV-XHSDSOJGSA-N 2 0 293.455 1.920 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001086478742 927185383 /nfs/dbraw/zinc/18/53/83/927185383.db2.gz YPWWUTNRFFEKMT-ZRJCITRHSA-N 2 0 299.846 1.421 20 30 CDEDRP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CCC)C2 ZINC001108803664 928645574 /nfs/dbraw/zinc/64/55/74/928645574.db2.gz FCERFAMXCBFASP-JYJNAYRXSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C[C@](C)(O)CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001252556149 929208713 /nfs/dbraw/zinc/20/87/13/929208713.db2.gz BCBGRVQKWXRLFN-HNNXBMFYSA-N 2 0 271.449 1.129 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583709 929798460 /nfs/dbraw/zinc/79/84/60/929798460.db2.gz NQDRKGPSKHZPDJ-KGLIPLIRSA-N 2 0 279.428 1.367 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298881 930135711 /nfs/dbraw/zinc/13/57/11/930135711.db2.gz QPUPWSZANNFFRF-UONOGXRCSA-N 2 0 281.444 1.777 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135476987 930227372 /nfs/dbraw/zinc/22/73/72/930227372.db2.gz PHFKWIWJEWVLLF-CABCVRRESA-N 2 0 293.455 1.615 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767420 930399286 /nfs/dbraw/zinc/39/92/86/930399286.db2.gz CQIJTDRRONNBKU-LSDHHAIUSA-N 2 0 279.428 1.224 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767418 930399866 /nfs/dbraw/zinc/39/98/66/930399866.db2.gz CQIJTDRRONNBKU-GJZGRUSLSA-N 2 0 279.428 1.224 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CCCCC1 ZINC001115731207 937417310 /nfs/dbraw/zinc/41/73/10/937417310.db2.gz ZUXHWAMBEVFTAN-CABCVRRESA-N 2 0 293.455 1.779 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001153802278 937471623 /nfs/dbraw/zinc/47/16/23/937471623.db2.gz HVWFZOHRCVNPOV-CVEARBPZSA-N 2 0 295.471 1.977 20 30 CDEDRP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000104172508 931323210 /nfs/dbraw/zinc/32/32/10/931323210.db2.gz VVAJKMQMVOGONR-OLZOCXBDSA-N 2 0 264.417 1.517 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154899006 937601531 /nfs/dbraw/zinc/60/15/31/937601531.db2.gz ZDBDVTJHVGCUFH-CQSZACIVSA-N 2 0 281.444 1.731 20 30 CDEDRP CC[C@H](C)[C@H](NC1CC[NH+](C(C)C)CC1)C(=O)NO ZINC001257213979 932751438 /nfs/dbraw/zinc/75/14/38/932751438.db2.gz XYDDEISMBOTSJS-AAEUAGOBSA-N 2 0 271.405 1.369 20 30 CDEDRP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001148638795 932768421 /nfs/dbraw/zinc/76/84/21/932768421.db2.gz RZEXHARPHBHPGL-UHFFFAOYSA-N 2 0 288.395 1.106 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001171353700 932857444 /nfs/dbraw/zinc/85/74/44/932857444.db2.gz AAQTYVGJZYKWFB-UHFFFAOYSA-N 2 0 290.411 1.823 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092198729 932924799 /nfs/dbraw/zinc/92/47/99/932924799.db2.gz XCLAEFNMHBSATK-INMHGKMJSA-N 2 0 291.439 1.295 20 30 CDEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120129644 937782298 /nfs/dbraw/zinc/78/22/98/937782298.db2.gz LKJTWBNBZXWESI-HNNXBMFYSA-N 2 0 293.455 1.923 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC001120536940 937807731 /nfs/dbraw/zinc/80/77/31/937807731.db2.gz SQNVDGPMGKUBGL-GJZGRUSLSA-N 2 0 294.443 1.100 20 30 CDEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001114828841 935000829 /nfs/dbraw/zinc/00/08/29/935000829.db2.gz LCXHBHHASZZBLC-QXSJWSMHSA-N 2 0 293.455 1.729 20 30 CDEDRP C=C[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001253601178 935327779 /nfs/dbraw/zinc/32/77/79/935327779.db2.gz LSHSVURIWOLSEO-MRXNPFEDSA-N 2 0 275.396 1.075 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001042358162 935817744 /nfs/dbraw/zinc/81/77/44/935817744.db2.gz NZRDNDMBIMWRDO-CVEARBPZSA-N 2 0 289.423 1.028 20 30 CDEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001045553760 935886804 /nfs/dbraw/zinc/88/68/04/935886804.db2.gz DMRRNTNWVBOZEA-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049696647 936172440 /nfs/dbraw/zinc/17/24/40/936172440.db2.gz ZQKAWNZPNHKURI-HOTGVXAUSA-N 2 0 289.423 1.027 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001049892034 936186341 /nfs/dbraw/zinc/18/63/41/936186341.db2.gz YXFFHKIONYSGHH-ARFHVFGLSA-N 2 0 289.423 1.027 20 30 CDEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001120833749 937840525 /nfs/dbraw/zinc/84/05/25/937840525.db2.gz ADLVUFWHZDPRKD-LETWWHAPSA-N 2 0 289.423 1.121 20 30 CDEDRP CC#CC[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156194505 938333326 /nfs/dbraw/zinc/33/33/26/938333326.db2.gz PSBRMFDPJPPBLH-CQSZACIVSA-N 2 0 267.417 1.178 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157886336 938557463 /nfs/dbraw/zinc/55/74/63/938557463.db2.gz GXEAEOBCOQVJNK-ZDUSSCGKSA-N 2 0 253.390 1.141 20 30 CDEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001158923341 938678679 /nfs/dbraw/zinc/67/86/79/938678679.db2.gz WIYUTTMDFFRIBL-MRXNPFEDSA-N 2 0 293.455 1.663 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160866403 938833993 /nfs/dbraw/zinc/83/39/93/938833993.db2.gz BKLCRNXGOGWHRS-LSDHHAIUSA-N 2 0 277.412 1.123 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001161408420 938901148 /nfs/dbraw/zinc/90/11/48/938901148.db2.gz XEQYTCLZUZZUGO-UHFFFAOYSA-N 2 0 290.411 1.580 20 30 CDEDRP N#CCc1cc(N[C@H]2C[NH2+]Cc3ccsc32)cc[nH+]1 ZINC001163231647 939230048 /nfs/dbraw/zinc/23/00/48/939230048.db2.gz XVIRTAZDERVKRC-ZDUSSCGKSA-N 2 0 270.361 1.887 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001166634911 939621288 /nfs/dbraw/zinc/62/12/88/939621288.db2.gz YHIMFEYWOOIPHL-GFCCVEGCSA-N 2 0 273.808 1.319 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166677174 939625255 /nfs/dbraw/zinc/62/52/55/939625255.db2.gz GHQOKQVOHZWCPC-ZDUSSCGKSA-N 2 0 253.390 1.000 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001205461313 939891135 /nfs/dbraw/zinc/89/11/35/939891135.db2.gz HCRNHONMAVNCBS-INIZCTEOSA-N 2 0 293.455 1.731 20 30 CDEDRP Cc1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1C#N ZINC001205682803 939917329 /nfs/dbraw/zinc/91/73/29/939917329.db2.gz VPGIHCXPEFNDTA-MRXNPFEDSA-N 2 0 273.380 1.542 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001206954352 940117164 /nfs/dbraw/zinc/11/71/64/940117164.db2.gz FJGBSNQMGPKLGB-UHFFFAOYSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070193 940281889 /nfs/dbraw/zinc/28/18/89/940281889.db2.gz GBDRSIUMNUKFEV-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001209642968 940622209 /nfs/dbraw/zinc/62/22/09/940622209.db2.gz QUZWPGDIVDWBID-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP N#Cc1ccc(O)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210269268 940677355 /nfs/dbraw/zinc/67/73/55/940677355.db2.gz QFSXQEFYJQDMIO-UHFFFAOYSA-N 2 0 295.346 1.812 20 30 CDEDRP C[NH2+]CC1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000402246838 940892414 /nfs/dbraw/zinc/89/24/14/940892414.db2.gz HXCKEVMPSCBYAF-INIZCTEOSA-N 2 0 273.380 1.523 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)C[C@H]1C ZINC001215854721 940911181 /nfs/dbraw/zinc/91/11/81/940911181.db2.gz IGHGTTJIWKXVCL-GZBFAFLISA-N 2 0 288.395 1.048 20 30 CDEDRP Cc1c(O[C@H]2C[NH2+]C[C@@H]2C#N)ccc2c1CC[NH2+]C2 ZINC001218199913 941043674 /nfs/dbraw/zinc/04/36/74/941043674.db2.gz HXVOVHRLASTJHL-WFASDCNBSA-N 2 0 257.337 1.131 20 30 CDEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cccc(OC)c1C#N ZINC001218977422 941295717 /nfs/dbraw/zinc/29/57/17/941295717.db2.gz BIWHVYQLIJXSFC-ZDUSSCGKSA-N 2 0 290.367 1.222 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)NCc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001219706242 941382659 /nfs/dbraw/zinc/38/26/59/941382659.db2.gz YXMPCKHFRVECNO-KRWDZBQOSA-N 2 0 285.391 1.257 20 30 CDEDRP C=C1CC=C(F)C=C1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220797844 941473009 /nfs/dbraw/zinc/47/30/09/941473009.db2.gz XLCFRRQDZDEZLC-CYBMUJFWSA-N 2 0 265.332 1.127 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1C[NH3+] ZINC001220868382 941478843 /nfs/dbraw/zinc/47/88/43/941478843.db2.gz HRQMZSNKWDUOSA-AWEZNQCLSA-N 2 0 273.380 1.526 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221878292 941553715 /nfs/dbraw/zinc/55/37/15/941553715.db2.gz LCVLTUCWSSKDGY-ZIAGYGMSSA-N 2 0 265.401 1.047 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962511 941557118 /nfs/dbraw/zinc/55/71/18/941557118.db2.gz HVICWQVEBDYIMP-HZPDHXFCSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001223467397 941679855 /nfs/dbraw/zinc/67/98/55/941679855.db2.gz ZMFKZSVBLHAJFS-MRXNPFEDSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001223669399 941691523 /nfs/dbraw/zinc/69/15/23/941691523.db2.gz SPSWQRRBRHDVMD-UHFFFAOYSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001223956128 941710239 /nfs/dbraw/zinc/71/02/39/941710239.db2.gz YAEQDVSTPAXZOU-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001224560854 941771202 /nfs/dbraw/zinc/77/12/02/941771202.db2.gz YEYCEZYHQNKQFG-OAHLLOKOSA-N 2 0 291.439 1.180 20 30 CDEDRP C[NH+]1CC2(C1)CC[NH+](Cc1cc(C#N)ccn1)CC2 ZINC001232480437 943294523 /nfs/dbraw/zinc/29/45/23/943294523.db2.gz WUEZGTMUSUQSEC-UHFFFAOYSA-N 2 0 256.353 1.481 20 30 CDEDRP C=CCCC[NH+]1CC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277779312 943511412 /nfs/dbraw/zinc/51/14/12/943511412.db2.gz FAAQVPNSPPNJGN-OAHLLOKOSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH2+]CCN1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235971789 944340990 /nfs/dbraw/zinc/34/09/90/944340990.db2.gz ANWAAVQIYJCUAA-UHFFFAOYSA-N 2 0 285.435 1.899 20 30 CDEDRP Cc1cc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)cnc1C#N ZINC001242355933 946693505 /nfs/dbraw/zinc/69/35/05/946693505.db2.gz DRYBIELQDAHVFW-UHFFFAOYSA-N 2 0 279.347 1.733 20 30 CDEDRP CC[C@@H](CC#N)[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001255162583 947759394 /nfs/dbraw/zinc/75/93/94/947759394.db2.gz TWRGUVJAGKXHPK-IHRRRGAJSA-N 2 0 280.416 1.257 20 30 CDEDRP C=CCC[C@@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001246023003 947902736 /nfs/dbraw/zinc/90/27/36/947902736.db2.gz ZDYMDSDMOIWCNO-CABCVRRESA-N 2 0 297.443 1.023 20 30 CDEDRP CC[C@@H](CC#N)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246145361 947986657 /nfs/dbraw/zinc/98/66/57/947986657.db2.gz MONBARIKEXOUBB-STQMWFEESA-N 2 0 250.390 1.142 20 30 CDEDRP N#CC12CCC([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)(CC1)CC2 ZINC001246263954 948064519 /nfs/dbraw/zinc/06/45/19/948064519.db2.gz MFWXCPHRTMSMKZ-WLYUNCDWSA-N 2 0 274.412 1.287 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CC(C)(C)O)CC1 ZINC001252357814 951216413 /nfs/dbraw/zinc/21/64/13/951216413.db2.gz XXOHWUIHUNPOEK-UHFFFAOYSA-N 2 0 281.444 1.049 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC001252483015 951346536 /nfs/dbraw/zinc/34/65/36/951346536.db2.gz QJVRBEVVISNEFL-INIZCTEOSA-N 2 0 278.396 1.401 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001252490567 951359957 /nfs/dbraw/zinc/35/99/57/951359957.db2.gz JJIIZEMCDAJDEE-APIJFGDWSA-N 2 0 268.401 1.155 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001368110153 958643295 /nfs/dbraw/zinc/64/32/95/958643295.db2.gz WDJMNGQWVNWJBF-OLZOCXBDSA-N 2 0 287.835 1.660 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001369399028 959664682 /nfs/dbraw/zinc/66/46/82/959664682.db2.gz JGVPZJMEOSKSBF-STQMWFEESA-N 2 0 287.835 1.660 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N(C)[C@@H](C)C[NH3+] ZINC001335263560 959670664 /nfs/dbraw/zinc/67/06/64/959670664.db2.gz IRDOQQZVBFDFTN-QWHCGFSZSA-N 2 0 257.422 1.870 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC001341662758 963502554 /nfs/dbraw/zinc/50/25/54/963502554.db2.gz NCFDYOKZDVSENE-OCCSQVGLSA-N 2 0 285.457 1.224 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001341945212 963585365 /nfs/dbraw/zinc/58/53/65/963585365.db2.gz XTFWEAYTBVLIKA-HZPDHXFCSA-N 2 0 287.407 1.843 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001342399432 963731596 /nfs/dbraw/zinc/73/15/96/963731596.db2.gz VCOVZCLVYGETHA-CYBMUJFWSA-N 2 0 259.353 1.912 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001480110434 967054980 /nfs/dbraw/zinc/05/49/80/967054980.db2.gz WSYDAOISFCCKNT-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100320574 968006236 /nfs/dbraw/zinc/00/62/36/968006236.db2.gz JGDMUXOCZFTAOB-GPANFISMSA-N 2 0 291.439 1.367 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001100343691 968070007 /nfs/dbraw/zinc/07/00/07/968070007.db2.gz NFNMUMLVISTGIO-PRLABOORSA-N 2 0 293.455 1.777 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001373965062 973704012 /nfs/dbraw/zinc/70/40/12/973704012.db2.gz DFHTXMBSGUGAQM-CQSZACIVSA-N 2 0 299.846 1.661 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001393754175 977906955 /nfs/dbraw/zinc/90/69/55/977906955.db2.gz ZVNCMRVPXKPIRO-AAEUAGOBSA-N 2 0 287.835 1.517 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132265801 1163219149 /nfs/dbraw/zinc/21/91/49/1163219149.db2.gz SZTVWRASALJEGI-KGLIPLIRSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132437649 1163289565 /nfs/dbraw/zinc/28/95/65/1163289565.db2.gz WOXCKWGOJLWZSX-HZPDHXFCSA-N 2 0 293.455 1.711 20 30 CDEDRP CC#CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132434002 1163288797 /nfs/dbraw/zinc/28/87/97/1163288797.db2.gz SJWRSDJXGWZFKB-JKSUJKDBSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001132435371 1163290370 /nfs/dbraw/zinc/29/03/70/1163290370.db2.gz CEUCKLGWJIROMB-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001132436347 1163290788 /nfs/dbraw/zinc/29/07/88/1163290788.db2.gz KUNYURFEJZGPQL-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133090484 1163567939 /nfs/dbraw/zinc/56/79/39/1163567939.db2.gz ITGISBVBRAJCRF-HOTGVXAUSA-N 2 0 295.471 1.979 20 30 CDEDRP C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1CC[NH+](C)CC1 ZINC000594439163 342906767 /nfs/dbraw/zinc/90/67/67/342906767.db2.gz SWJAPEODEWDZSQ-GXTWGEPZSA-N 2 0 280.416 1.244 20 30 CDEDRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000595936195 343201783 /nfs/dbraw/zinc/20/17/83/343201783.db2.gz NWZUDCHCWGIGHA-CHWSQXEVSA-N 2 0 280.416 1.244 20 30 CDEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[NH+](C)C ZINC000602505094 344457348 /nfs/dbraw/zinc/45/73/48/344457348.db2.gz PMRCKKARJFBXBT-CYBMUJFWSA-N 2 0 253.390 1.627 20 30 CDEDRP C=CC[NH+]1CCC(NCc2cc(C(=O)OC)no2)CC1 ZINC000602538730 344471780 /nfs/dbraw/zinc/47/17/80/344471780.db2.gz HMDSLEDNOKVDEQ-UHFFFAOYSA-N 2 0 279.340 1.201 20 30 CDEDRP CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365407087 344976364 /nfs/dbraw/zinc/97/63/64/344976364.db2.gz YWBDIMRUGSBIMX-CQSZACIVSA-N 2 0 280.416 1.165 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cccc(O)c1 ZINC000264070056 362956875 /nfs/dbraw/zinc/95/68/75/362956875.db2.gz CWPHDJMQSAXTCP-AWEZNQCLSA-N 2 0 290.411 1.323 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000132163099 358516509 /nfs/dbraw/zinc/51/65/09/358516509.db2.gz GPLOHNPJLBDAMD-KBPBESRZSA-N 2 0 265.401 1.143 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000264976884 359316455 /nfs/dbraw/zinc/31/64/55/359316455.db2.gz IVFFICFPWRZKJT-HOTGVXAUSA-N 2 0 293.455 1.895 20 30 CDEDRP CC(C)[NH+]1CCN(CCC[N@H+](C)CC(C)(C)C#N)CC1 ZINC000433315427 361233436 /nfs/dbraw/zinc/23/34/36/361233436.db2.gz YKZXTALXRNPBFH-UHFFFAOYSA-N 2 0 280.460 1.884 20 30 CDEDRP CC1CC[NH+](CCNC(=[NH2+])Nc2ccccn2)CC1 ZINC000170913320 365162003 /nfs/dbraw/zinc/16/20/03/365162003.db2.gz YSKGVEVFEGAMBI-UHFFFAOYSA-N 2 0 261.373 1.540 20 30 CDEDRP [NH2+]=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)NC1CC1 ZINC000267420250 370935110 /nfs/dbraw/zinc/93/51/10/370935110.db2.gz KKZCHWRBWMTWPG-HNNXBMFYSA-N 2 0 272.396 1.718 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000420329657 244094270 /nfs/dbraw/zinc/09/42/70/244094270.db2.gz KKZLBYSVKLZSSR-SJORKVTESA-N 2 0 285.391 1.886 20 30 CDEDRP C=CCN1CC[C@H]([N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1=O ZINC000420331414 376328824 /nfs/dbraw/zinc/32/88/24/376328824.db2.gz QTMVSCWFVNXRSV-ILXRZTDVSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000417534897 377893172 /nfs/dbraw/zinc/89/31/72/377893172.db2.gz WIAOMGHLOCQKCK-AWEZNQCLSA-N 2 0 294.443 1.468 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000417542396 377939218 /nfs/dbraw/zinc/93/92/18/377939218.db2.gz SWIKONFPXWPCNU-CQSZACIVSA-N 2 0 280.416 1.063 20 30 CDEDRP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001662829348 1172600273 /nfs/dbraw/zinc/60/02/73/1172600273.db2.gz YJSFLVFTLIJBBA-LSDHHAIUSA-N 2 0 277.412 1.027 20 30 CDEDRP C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCN1C1CC[NH+](C)CC1 ZINC000339062192 391248147 /nfs/dbraw/zinc/24/81/47/391248147.db2.gz ZJHQDEGYGNTEJI-INMHGKMJSA-N 2 0 290.455 1.779 20 30 CDEDRP CCCCNC(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270584779 391277351 /nfs/dbraw/zinc/27/73/51/391277351.db2.gz RDCFJQXIAZVTGK-UHFFFAOYSA-N 2 0 293.415 1.226 20 30 CDEDRP C=CCN(C)CC[N@@H+](CC)CCn1ccnc1C ZINC000411647432 391501961 /nfs/dbraw/zinc/50/19/61/391501961.db2.gz YACISCJOKFDIJT-UHFFFAOYSA-N 2 0 250.390 1.631 20 30 CDEDRP C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000261968211 391744364 /nfs/dbraw/zinc/74/43/64/391744364.db2.gz CFEBPTRRGYIVSR-OAHLLOKOSA-N 2 0 272.396 1.996 20 30 CDEDRP CC[NH+]1CCN(CCC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442712021 391732609 /nfs/dbraw/zinc/73/26/09/391732609.db2.gz FYZOATYEWHXFMB-CABCVRRESA-N 2 0 264.417 1.296 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](C)[C@@H](C)[NH3+])C(C)C ZINC000192097247 130371065 /nfs/dbraw/zinc/37/10/65/130371065.db2.gz WHGGREOOTNEVHQ-ZNMIVQPWSA-N 2 0 281.444 1.785 20 30 CDEDRP CN1CC[NH+]=C1NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000262689572 391813437 /nfs/dbraw/zinc/81/34/37/391813437.db2.gz ZUHCTGRFCSOAPV-MRXNPFEDSA-N 2 0 286.423 1.788 20 30 CDEDRP C[C@H](C[NH3+])C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423315245 392960348 /nfs/dbraw/zinc/96/03/48/392960348.db2.gz ZIXBNZGMZLEPJS-CYBMUJFWSA-N 2 0 272.396 1.711 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC000521365873 260087212 /nfs/dbraw/zinc/08/72/12/260087212.db2.gz DHJSJYAUXUWLHC-GFCCVEGCSA-N 2 0 276.384 1.355 20 30 CDEDRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000520230290 267338345 /nfs/dbraw/zinc/33/83/45/267338345.db2.gz JZKMRUDJPFQVIT-CYBMUJFWSA-N 2 0 298.394 1.422 20 30 CDEDRP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001669909782 1173629794 /nfs/dbraw/zinc/62/97/94/1173629794.db2.gz JHHMYDWHPFKUIK-KGLIPLIRSA-N 2 0 269.433 1.729 20 30 CDEDRP C[C@@H]1CCCN(C(=[NH2+])NCCN2CCOCC2(C)C)C1 ZINC000170914943 329072393 /nfs/dbraw/zinc/07/23/93/329072393.db2.gz YRQNZJYZBPWIRK-CYBMUJFWSA-N 2 0 282.432 1.144 20 30 CDEDRP COCCN1CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185801711 329329281 /nfs/dbraw/zinc/32/92/81/329329281.db2.gz AWDWOTDVLYACSH-ZFWWWQNUSA-N 2 0 265.401 1.769 20 30 CDEDRP CN(C)C(=[NH+]C[C@H](C1CCCCC1)[NH+](C)C)N(C)C ZINC000262014386 329997371 /nfs/dbraw/zinc/99/73/71/329997371.db2.gz VMAQJOLKUSVVHP-CQSZACIVSA-N 2 0 268.449 1.976 20 30 CDEDRP CC/[NH+]=C(\N(C)C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262492974 330017411 /nfs/dbraw/zinc/01/74/11/330017411.db2.gz VLOPYUZIBBOTSW-NPIURYIMSA-N 2 0 252.406 1.484 20 30 CDEDRP C#CCNC(NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)=[NH+]CC ZINC000262636102 330023731 /nfs/dbraw/zinc/02/37/31/330023731.db2.gz ZNGIUSGNYXHIKU-KBPBESRZSA-N 2 0 264.417 1.295 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C2([NH3+])CCCCC2)CC1 ZINC000262665954 330025484 /nfs/dbraw/zinc/02/54/84/330025484.db2.gz JTFLUYCCDDUOHY-UHFFFAOYSA-N 2 0 265.401 1.415 20 30 CDEDRP CC[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCCC1 ZINC000263259907 330050965 /nfs/dbraw/zinc/05/09/65/330050965.db2.gz SHUICYVFKKSKEA-CYBMUJFWSA-N 2 0 264.417 1.532 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000272748181 330093372 /nfs/dbraw/zinc/09/33/72/330093372.db2.gz DRNZOSFBXZEHGQ-AWEZNQCLSA-N 2 0 289.423 1.098 20 30 CDEDRP C=C(C)C[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422981572 330162604 /nfs/dbraw/zinc/16/26/04/330162604.db2.gz SXTICLSPNQGTLI-UKRRQHHQSA-N 2 0 251.418 1.615 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000424155651 330303436 /nfs/dbraw/zinc/30/34/36/330303436.db2.gz NJAZQUOFQCXWKX-TZMCWYRMSA-N 2 0 278.400 1.141 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000424155650 330303473 /nfs/dbraw/zinc/30/34/73/330303473.db2.gz NJAZQUOFQCXWKX-OCCSQVGLSA-N 2 0 278.400 1.141 20 30 CDEDRP C#CCNC(=O)CC[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000491486413 332220843 /nfs/dbraw/zinc/22/08/43/332220843.db2.gz VZZKZMKQSCOLNL-OAHLLOKOSA-N 2 0 279.428 1.370 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000491620429 332246267 /nfs/dbraw/zinc/24/62/67/332246267.db2.gz CIKIXYMHKNPTNR-UHFFFAOYSA-N 2 0 293.455 1.570 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001754824528 1159467904 /nfs/dbraw/zinc/46/79/04/1159467904.db2.gz CHVLEXJJZROMOZ-JKSUJKDBSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001753852942 1159924533 /nfs/dbraw/zinc/92/45/33/1159924533.db2.gz FXYQKLOVXZEEIH-HNNXBMFYSA-N 2 0 281.444 1.826 20 30 CDEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C(C)(C)C ZINC001755840312 1160623872 /nfs/dbraw/zinc/62/38/72/1160623872.db2.gz WSEMVIIQQNJJHA-HUUCEWRRSA-N 2 0 293.455 1.615 20 30 CDEDRP C=CCC[NH+]1CC(N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001754585930 1185675228 /nfs/dbraw/zinc/67/52/28/1185675228.db2.gz ISPGBLLKEROHOJ-UHFFFAOYSA-N 2 0 267.417 1.437 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001113495748 1162194262 /nfs/dbraw/zinc/19/42/62/1162194262.db2.gz WODMNIMYZRXVKL-UHFFFAOYSA-N 2 0 253.390 1.049 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000730842093 575015965 /nfs/dbraw/zinc/01/59/65/575015965.db2.gz CIHRGTYHQRAUDU-CVEARBPZSA-N 2 0 289.423 1.171 20 30 CDEDRP NC(=[NH2+])N=NC1CCCC[C@@H]1[NH+]1CCCCCC1 ZINC000749807084 576963920 /nfs/dbraw/zinc/96/39/20/576963920.db2.gz JPQGXTXWFMDQEO-LBPRGKRZSA-N 2 0 251.378 1.644 20 30 CDEDRP C#CC[NH2+]C1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000964186522 612955577 /nfs/dbraw/zinc/95/55/77/612955577.db2.gz UAPNFJYDGSSQFK-FHERZECASA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH+]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000981962002 613002516 /nfs/dbraw/zinc/00/25/16/613002516.db2.gz DYPYBKNSFWNPJR-UHFFFAOYSA-N 2 0 291.439 1.276 20 30 CDEDRP C#CCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981147602 613005134 /nfs/dbraw/zinc/00/51/34/613005134.db2.gz VYPCHGYOTWQKEM-MRXNPFEDSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000972552395 613085972 /nfs/dbraw/zinc/08/59/72/613085972.db2.gz PJDACBJZAXDNGQ-QGZVFWFLSA-N 2 0 299.418 1.528 20 30 CDEDRP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000968780400 613146012 /nfs/dbraw/zinc/14/60/12/613146012.db2.gz FEQWIZWZKVHCMY-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968386704 613251455 /nfs/dbraw/zinc/25/14/55/613251455.db2.gz OFNWVIGPASEEBS-GOEBONIOSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000970747189 613301917 /nfs/dbraw/zinc/30/19/17/613301917.db2.gz TYMXGJZEHUEFFT-ZDUSSCGKSA-N 2 0 277.412 1.095 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000981953450 613308171 /nfs/dbraw/zinc/30/81/71/613308171.db2.gz NSRXPZWCTDKIHX-HNNXBMFYSA-N 2 0 279.428 1.581 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000981369106 613308548 /nfs/dbraw/zinc/30/85/48/613308548.db2.gz BELTXWRFLDBEJF-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968547872 613325397 /nfs/dbraw/zinc/32/53/97/613325397.db2.gz BCVQUTRGYALYLG-HUUCEWRRSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000961596774 613345258 /nfs/dbraw/zinc/34/52/58/613345258.db2.gz JUIFQLSYVSSQHD-RFBLXINOSA-N 2 0 291.439 1.339 20 30 CDEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000969653875 613485917 /nfs/dbraw/zinc/48/59/17/613485917.db2.gz NJFLNRGGXNPQAR-HOCLYGCPSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000981960234 613495912 /nfs/dbraw/zinc/49/59/12/613495912.db2.gz ULXCXMVUEYBZHW-CABCVRRESA-N 2 0 279.428 1.295 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948755997 613504025 /nfs/dbraw/zinc/50/40/25/613504025.db2.gz SJOWPFWRRZWQBT-INIZCTEOSA-N 2 0 293.455 1.970 20 30 CDEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000969791471 613531224 /nfs/dbraw/zinc/53/12/24/613531224.db2.gz DLIOGAXVJZQSGY-GDBMZVCRSA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000982149556 613542321 /nfs/dbraw/zinc/54/23/21/613542321.db2.gz YROJXSMGLDJCQI-UHFFFAOYSA-N 2 0 289.423 1.030 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000948246124 613558073 /nfs/dbraw/zinc/55/80/73/613558073.db2.gz VSKYOIGKGAKSFM-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC000971711986 613611535 /nfs/dbraw/zinc/61/15/35/613611535.db2.gz HVWKMPFSLYLDTF-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000971781394 613614616 /nfs/dbraw/zinc/61/46/16/613614616.db2.gz JCBNHLYEKBWEGH-CHWSQXEVSA-N 2 0 253.390 1.045 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC000972515756 613616410 /nfs/dbraw/zinc/61/64/10/613616410.db2.gz BQHKVCOABYEFHL-TZMCWYRMSA-N 2 0 276.384 1.307 20 30 CDEDRP C=CC[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000981815853 613678321 /nfs/dbraw/zinc/67/83/21/613678321.db2.gz FFPGMIBFMSIHHC-UHFFFAOYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[NH+]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000981369401 613688319 /nfs/dbraw/zinc/68/83/19/613688319.db2.gz KMLNQQNFIVDCRK-OAHLLOKOSA-N 2 0 279.428 1.581 20 30 CDEDRP C=CC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000981322056 613694453 /nfs/dbraw/zinc/69/44/53/613694453.db2.gz KCIZWGJDCNYUSW-INIZCTEOSA-N 2 0 293.455 1.685 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942598239 613741787 /nfs/dbraw/zinc/74/17/87/613741787.db2.gz UOANILKJXOMGGF-UKRRQHHQSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944944979 613742330 /nfs/dbraw/zinc/74/23/30/613742330.db2.gz PNSDXTDMVRGNOI-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000939389734 613868601 /nfs/dbraw/zinc/86/86/01/613868601.db2.gz WDJLERGFPMPYGG-HUUCEWRRSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000891522883 617459451 /nfs/dbraw/zinc/45/94/51/617459451.db2.gz XQYZXUJHQLLUCC-UHFFFAOYSA-N 2 0 292.427 1.302 20 30 CDEDRP C[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)N1CC[NH+](C)CC1 ZINC000924966229 618480818 /nfs/dbraw/zinc/48/08/18/618480818.db2.gz QMKVKFPKDQGPPY-UONOGXRCSA-N 2 0 266.433 1.540 20 30 CDEDRP N#CC1(CCCC[NH+]2CCC(O)(C[NH3+])CC2)CCC1 ZINC000903761432 626081703 /nfs/dbraw/zinc/08/17/03/626081703.db2.gz SNGGJWOFEAZWJC-UHFFFAOYSA-N 2 0 265.401 1.636 20 30 CDEDRP C=CC[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903758180 626088474 /nfs/dbraw/zinc/08/84/74/626088474.db2.gz JDLVEEZFQGNGAK-AWEZNQCLSA-N 2 0 250.386 1.796 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[NH2+]CC1 ZINC000911646905 629391597 /nfs/dbraw/zinc/39/15/97/629391597.db2.gz GLYQCUGXELVXHL-ZDUSSCGKSA-N 2 0 255.406 1.496 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000911833607 629564087 /nfs/dbraw/zinc/56/40/87/629564087.db2.gz YUJUVNWQTKYJSE-OCCSQVGLSA-N 2 0 255.406 1.550 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000912807475 630219324 /nfs/dbraw/zinc/21/93/24/630219324.db2.gz LAQMUJSIDOECLX-HIFRSBDPSA-N 2 0 281.444 1.683 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001130001219 1162517032 /nfs/dbraw/zinc/51/70/32/1162517032.db2.gz HSAKVQAFWJAQGS-CYBMUJFWSA-N 2 0 298.818 1.929 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130190251 1162565669 /nfs/dbraw/zinc/56/56/69/1162565669.db2.gz XYEHKJGZIBKUSP-LSDHHAIUSA-N 2 0 279.428 1.675 20 30 CDEDRP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001754690453 1159424537 /nfs/dbraw/zinc/42/45/37/1159424537.db2.gz NNXNGEUGZNUKSJ-DZGCQCFKSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132376454 1163260923 /nfs/dbraw/zinc/26/09/23/1163260923.db2.gz NLUMZOLYATXAPV-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193499610 1164390814 /nfs/dbraw/zinc/39/08/14/1164390814.db2.gz JXPBCCAHDCFMLY-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP CC1(C#N)CC[NH+](CCC2([NH3+])CCOCC2)CC1 ZINC001576329957 1171388669 /nfs/dbraw/zinc/38/86/69/1171388669.db2.gz KYOAXIOYLLSULH-UHFFFAOYSA-N 2 0 251.374 1.510 20 30 CDEDRP C[C@@H]1C[C@H](C)N(Cc2cccc(C#N)n2)C[C@H]1C[NH3+] ZINC001576600238 1171464730 /nfs/dbraw/zinc/46/47/30/1171464730.db2.gz ZRBWHLIICWBZHH-FRRDWIJNSA-N 2 0 258.369 1.758 20 30 CDEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001699598962 1176494053 /nfs/dbraw/zinc/49/40/53/1176494053.db2.gz IWPBXXGYDKWAQW-CABCVRRESA-N 2 0 279.428 1.080 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001753460318 1184544992 /nfs/dbraw/zinc/54/49/92/1184544992.db2.gz VSRBEFCIOJUEKN-HZPDHXFCSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CCC[N@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001752170890 1184829181 /nfs/dbraw/zinc/82/91/81/1184829181.db2.gz VNQCLECIGGUCLC-AWEZNQCLSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CC[NH2+][C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001752490321 1184869912 /nfs/dbraw/zinc/86/99/12/1184869912.db2.gz KCVCMFRLTDFGIR-INIZCTEOSA-N 2 0 293.455 1.777 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001752687596 1184894133 /nfs/dbraw/zinc/89/41/33/1184894133.db2.gz VSZHBFVPVZMYIE-BZUAXINKSA-N 2 0 293.455 1.920 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001752941703 1184971885 /nfs/dbraw/zinc/97/18/85/1184971885.db2.gz ODBRSYMTUXNCKR-HRCADAONSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001753356040 1185167418 /nfs/dbraw/zinc/16/74/18/1185167418.db2.gz WHBRLNVFMTUSLS-HNNXBMFYSA-N 2 0 291.439 1.132 20 30 CDEDRP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)CC[N@@H+](C)CC ZINC001753720290 1185316303 /nfs/dbraw/zinc/31/63/03/1185316303.db2.gz WZDGMMVGRUCKKJ-ZDUSSCGKSA-N 2 0 255.406 1.341 20 30 CDEDRP C#CC[NH+](C)CCC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001753823364 1185345463 /nfs/dbraw/zinc/34/54/63/1185345463.db2.gz FSEKNWKOSAMOKR-UHFFFAOYSA-N 2 0 293.455 1.522 20 30 CDEDRP C=C(C)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001753842246 1185352961 /nfs/dbraw/zinc/35/29/61/1185352961.db2.gz JJDSYIQCTDEYDY-CQSZACIVSA-N 2 0 267.417 1.389 20 30 CDEDRP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001754044852 1185439460 /nfs/dbraw/zinc/43/94/60/1185439460.db2.gz VARMDYXSVHSOHF-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C#CCC[NH2+]CCN(CC)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001754085272 1185453490 /nfs/dbraw/zinc/45/34/90/1185453490.db2.gz XBCOIDYXNYMYAR-MRXNPFEDSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001754325829 1185578215 /nfs/dbraw/zinc/57/82/15/1185578215.db2.gz WUIINORTEBCSTK-CABCVRRESA-N 2 0 281.444 1.731 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001754598176 1185678553 /nfs/dbraw/zinc/67/85/53/1185678553.db2.gz HPYJNJJQGNEYDI-KGLIPLIRSA-N 2 0 267.417 1.483 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001754675478 1185702583 /nfs/dbraw/zinc/70/25/83/1185702583.db2.gz QGAWYVQHSPIJIV-MRXNPFEDSA-N 2 0 277.412 1.075 20 30 CDEDRP CC#CC[NH2+]CC1CC(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001755212074 1185856607 /nfs/dbraw/zinc/85/66/07/1185856607.db2.gz CUDSRUFBXMEVBE-NRXISQOPSA-N 2 0 297.418 1.174 20 30 CDEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001755383695 1185937587 /nfs/dbraw/zinc/93/75/87/1185937587.db2.gz WYUDLOMQSLLINU-CQSZACIVSA-N 2 0 281.444 1.731 20 30 CDEDRP CC#CC[NH2+]CCC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001755502892 1185974585 /nfs/dbraw/zinc/97/45/85/1185974585.db2.gz YPBDMBKZIULZDU-JKSUJKDBSA-N 2 0 293.455 1.759 20 30 CDEDRP C#CC[NH2+][C@H](CCNC(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001755552217 1185987937 /nfs/dbraw/zinc/98/79/37/1185987937.db2.gz FUYVSZNTRGVTOC-MRXNPFEDSA-N 2 0 293.455 1.472 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001114424278 1164947364 /nfs/dbraw/zinc/94/73/64/1164947364.db2.gz WIWLUXPGDCELRF-AIANPOQGSA-N 2 0 291.439 1.483 20 30 CDEDRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)CC3(C#N)CCC3)CC[C@H]21 ZINC000886043601 818018700 /nfs/dbraw/zinc/01/87/00/818018700.db2.gz GCPZGKMIULJSNT-OWCLPIDISA-N 2 0 291.439 1.847 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001049891722 818222849 /nfs/dbraw/zinc/22/28/49/818222849.db2.gz WZZIOACNCJXTRE-RRFJBIMHSA-N 2 0 277.412 1.189 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001039386405 818247786 /nfs/dbraw/zinc/24/77/86/818247786.db2.gz NHIFTJPXALMPHR-CABCVRRESA-N 2 0 291.439 1.722 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001020723338 818347677 /nfs/dbraw/zinc/34/76/77/818347677.db2.gz WHHXOBYPTLMBAT-TUVASFSCSA-N 2 0 277.412 1.426 20 30 CDEDRP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001048897251 818533178 /nfs/dbraw/zinc/53/31/78/818533178.db2.gz VKOKWGGDARAFBQ-QLFBSQMISA-N 2 0 277.412 1.047 20 30 CDEDRP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001026516079 818539479 /nfs/dbraw/zinc/53/94/79/818539479.db2.gz SCIXHADOACCMMS-YMAMQOFZSA-N 2 0 279.428 1.674 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001044873383 818544989 /nfs/dbraw/zinc/54/49/89/818544989.db2.gz YCWNOGCYIAHAPO-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP CCCCNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000303789937 818556523 /nfs/dbraw/zinc/55/65/23/818556523.db2.gz VXEDHPNNWVELBQ-ZDUSSCGKSA-N 2 0 254.422 1.811 20 30 CDEDRP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001028759509 818621295 /nfs/dbraw/zinc/62/12/95/818621295.db2.gz VYHGCZHPSAWKBQ-HOTGVXAUSA-N 2 0 291.439 1.180 20 30 CDEDRP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001024800964 818761720 /nfs/dbraw/zinc/76/17/20/818761720.db2.gz KCUWHJKLYLJXLV-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000999405193 818787627 /nfs/dbraw/zinc/78/76/27/818787627.db2.gz COJJRVFQOGQUIK-IYXRBSQSSA-N 2 0 265.401 1.236 20 30 CDEDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)CC(C)(C)C#N)CC1 ZINC000924669597 818787990 /nfs/dbraw/zinc/78/79/90/818787990.db2.gz UPWUPUXDDXJOOL-CABCVRRESA-N 2 0 280.460 1.930 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001023446420 818792589 /nfs/dbraw/zinc/79/25/89/818792589.db2.gz PIIKMHMJAZLWIP-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP CC[NH+]=C(NCC1(C)CC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262000671 818851174 /nfs/dbraw/zinc/85/11/74/818851174.db2.gz UIAFYZQXQAGZKK-TZMCWYRMSA-N 2 0 278.444 1.824 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049726111 818938204 /nfs/dbraw/zinc/93/82/04/818938204.db2.gz CEXNZKUEEWIEOO-ARFHVFGLSA-N 2 0 293.455 1.968 20 30 CDEDRP C#CC[N@H+]1CCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001073454739 818943941 /nfs/dbraw/zinc/94/39/41/818943941.db2.gz QNZNCYPGJYGQFA-GJZGRUSLSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033144133 819053825 /nfs/dbraw/zinc/05/38/25/819053825.db2.gz RVVCPNKCYGDWPI-JKSUJKDBSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](NC(=O)Cc2cncn2C)CC[C@H]1C ZINC001071994128 819100617 /nfs/dbraw/zinc/10/06/17/819100617.db2.gz CUCQJUHRWLYRKU-KGLIPLIRSA-N 2 0 290.411 1.508 20 30 CDEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001072815427 819130884 /nfs/dbraw/zinc/13/08/84/819130884.db2.gz YIBWSNVKMUDONN-OAHLLOKOSA-N 2 0 291.439 1.437 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CC1(C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261971646 819146369 /nfs/dbraw/zinc/14/63/69/819146369.db2.gz MWTOUMIUEBQHID-SGMGOOAPSA-N 2 0 278.444 1.680 20 30 CDEDRP CC#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046314264 819318279 /nfs/dbraw/zinc/31/82/79/819318279.db2.gz AHYHNXOSFQOPJO-DOTOQJQBSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CCC[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046588797 819332979 /nfs/dbraw/zinc/33/29/79/819332979.db2.gz SUNKZFWYDALRMH-INIZCTEOSA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001038621763 819363221 /nfs/dbraw/zinc/36/32/21/819363221.db2.gz GTKWYZAFGVISIA-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001024366356 819370315 /nfs/dbraw/zinc/37/03/15/819370315.db2.gz QUBPTEWVIRKPHT-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015387927 819386068 /nfs/dbraw/zinc/38/60/68/819386068.db2.gz NFJGWVLIZLBLNY-LSDHHAIUSA-N 2 0 277.412 1.237 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001000917747 819522128 /nfs/dbraw/zinc/52/21/28/819522128.db2.gz MGIJRXSMBQJRQY-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000933355007 819544537 /nfs/dbraw/zinc/54/45/37/819544537.db2.gz MPVKYSXPVPQWOK-MRXNPFEDSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CCC[N@H+]1CCC2(CN(C(=O)Cn3ccnc3C)C2)C1 ZINC001073430827 819555639 /nfs/dbraw/zinc/55/56/39/819555639.db2.gz LVDWOQADWGPHRC-UHFFFAOYSA-N 2 0 288.395 1.302 20 30 CDEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001034796839 819564902 /nfs/dbraw/zinc/56/49/02/819564902.db2.gz PPHFJIJBVCFQKC-VGWMRTNUSA-N 2 0 291.439 1.509 20 30 CDEDRP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000985801674 819626428 /nfs/dbraw/zinc/62/64/28/819626428.db2.gz IAEYPSHHNFVXFC-MRXNPFEDSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004149437 819800838 /nfs/dbraw/zinc/80/08/38/819800838.db2.gz HACBERQUWPYJGF-ZDUSSCGKSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001000020884 819807855 /nfs/dbraw/zinc/80/78/55/819807855.db2.gz RGOYFYMMGRSGJB-SOUVJXGZSA-N 2 0 279.428 1.483 20 30 CDEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=[NH2+])N(C)C2CC2)C1 ZINC000305804191 819836200 /nfs/dbraw/zinc/83/62/00/819836200.db2.gz FTQOLLRHBJLLAS-CHWSQXEVSA-N 2 0 266.433 1.763 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC1CC1 ZINC000304750068 819841868 /nfs/dbraw/zinc/84/18/68/819841868.db2.gz ICFAESYJBXRAIJ-ZDUSSCGKSA-N 2 0 252.406 1.565 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[C@@H]1CCCCO1 ZINC000305817383 819846291 /nfs/dbraw/zinc/84/62/91/819846291.db2.gz AJUIANXZCCCRHN-KBPBESRZSA-N 2 0 282.432 1.334 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH+](C(C)C)C(C)C ZINC000303695422 819855807 /nfs/dbraw/zinc/85/58/07/819855807.db2.gz DOUFERMHDXMPKM-OAHLLOKOSA-N 3 0 297.491 1.494 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032958502 819893475 /nfs/dbraw/zinc/89/34/75/819893475.db2.gz AYYPWEADURKXBM-UONOGXRCSA-N 2 0 265.401 1.189 20 30 CDEDRP N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000723703511 819931473 /nfs/dbraw/zinc/93/14/73/819931473.db2.gz PXOCODKQUDWQLZ-HIFRSBDPSA-N 2 0 259.353 1.262 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001049897234 820000089 /nfs/dbraw/zinc/00/00/89/820000089.db2.gz QUROFLOELQXNKP-HRCADAONSA-N 2 0 291.439 1.580 20 30 CDEDRP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001045389888 820265496 /nfs/dbraw/zinc/26/54/96/820265496.db2.gz MDXQMPMLQKMKGL-AWEZNQCLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001034398071 820333388 /nfs/dbraw/zinc/33/33/88/820333388.db2.gz MACHYFSSAASIDL-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C[C@@H]1CCCN(C(=[NH2+])NCC[NH+]2CCCCCC2)C1 ZINC000104168402 820353247 /nfs/dbraw/zinc/35/32/47/820353247.db2.gz SLCCTFJXJYGUMQ-CQSZACIVSA-N 2 0 266.433 1.909 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)CCn2ccnc2C(C)C)C1 ZINC001019464517 820369943 /nfs/dbraw/zinc/36/99/43/820369943.db2.gz LUWRDALGUDFOFE-AWEZNQCLSA-N 2 0 288.395 1.220 20 30 CDEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001016539026 820518766 /nfs/dbraw/zinc/51/87/66/820518766.db2.gz BWDGPAZBYKLTCD-GJZGRUSLSA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001005990444 820817611 /nfs/dbraw/zinc/81/76/11/820817611.db2.gz GYPDMXKBCJCAGO-OAHLLOKOSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033082871 820841090 /nfs/dbraw/zinc/84/10/90/820841090.db2.gz UWCJNPXVLIHTCP-JKSUJKDBSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994247226 820848008 /nfs/dbraw/zinc/84/80/08/820848008.db2.gz CMKRGCDXOGDWTD-GJZGRUSLSA-N 2 0 291.439 1.627 20 30 CDEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])N2CCCCCC2)CC1 ZINC000125969236 820856614 /nfs/dbraw/zinc/85/66/14/820856614.db2.gz YLIVWXITRGWCQO-HNNXBMFYSA-N 2 0 295.475 1.203 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076567650 821048071 /nfs/dbraw/zinc/04/80/71/821048071.db2.gz DDVSVSSGLXJZDY-RRFJBIMHSA-N 2 0 277.412 1.047 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC=C)[C@H]2C)CC1 ZINC000987574749 821213837 /nfs/dbraw/zinc/21/38/37/821213837.db2.gz GVLZTQGDIZKOKE-ZBFHGGJFSA-N 2 0 289.423 1.097 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001054748994 821262534 /nfs/dbraw/zinc/26/25/34/821262534.db2.gz OQGSMYYVDQQUBY-BXUZGUMPSA-N 2 0 299.846 1.660 20 30 CDEDRP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001023273365 821302743 /nfs/dbraw/zinc/30/27/43/821302743.db2.gz LQVLEAIKKKQTME-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP CCOCCC1(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000130608410 821324752 /nfs/dbraw/zinc/32/47/52/821324752.db2.gz ITBZLSPKODBOGI-CQSZACIVSA-N 2 0 296.459 1.582 20 30 CDEDRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000305038103 821407994 /nfs/dbraw/zinc/40/79/94/821407994.db2.gz UFFPBNSDSIQXFQ-ZIAGYGMSSA-N 2 0 282.432 1.048 20 30 CDEDRP C=CCN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001007457507 821591145 /nfs/dbraw/zinc/59/11/45/821591145.db2.gz OXEUWQFPRHWPIZ-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP CC1CC[NH+](CCCNC(=[NH2+])NC[C@H]2CCCO2)CC1 ZINC000195522011 821611304 /nfs/dbraw/zinc/61/13/04/821611304.db2.gz DNRWUJDVJDITCO-CQSZACIVSA-N 2 0 282.432 1.192 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993751061 821695138 /nfs/dbraw/zinc/69/51/38/821695138.db2.gz FHEFEPGLQNLXBV-GOEBONIOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000872284575 821804754 /nfs/dbraw/zinc/80/47/54/821804754.db2.gz TWVZCFZKOSUEAE-LSDHHAIUSA-N 2 0 279.428 1.661 20 30 CDEDRP C[C@H]([NH3+])c1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1 ZINC000884037512 821849240 /nfs/dbraw/zinc/84/92/40/821849240.db2.gz BVQAMVDHFLXKBL-AJQURBJUSA-N 2 0 298.390 1.784 20 30 CDEDRP C#C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCO1 ZINC000839015526 821856503 /nfs/dbraw/zinc/85/65/03/821856503.db2.gz RVHSYLLMCNVPDU-IRXDYDNUSA-N 2 0 285.391 1.821 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000998865746 821924926 /nfs/dbraw/zinc/92/49/26/821924926.db2.gz IAWORNLHPNOPLQ-NRXISQOPSA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C ZINC001074877961 822056057 /nfs/dbraw/zinc/05/60/57/822056057.db2.gz UBKVVTVHBHQBEX-UBHSHLNASA-N 2 0 299.846 1.660 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001018991027 822367324 /nfs/dbraw/zinc/36/73/24/822367324.db2.gz VISKFIJBXKTYGX-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001003229492 822377822 /nfs/dbraw/zinc/37/78/22/822377822.db2.gz HFGWUSSNUOZCIB-INIZCTEOSA-N 2 0 291.439 1.321 20 30 CDEDRP CCCNC(=[NH2+])NCCCCC[NH+]1CCCCC1 ZINC000304761563 822465855 /nfs/dbraw/zinc/46/58/55/822465855.db2.gz UPDZZCBMEMINSC-UHFFFAOYSA-N 2 0 254.422 1.957 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997009690 822619573 /nfs/dbraw/zinc/61/95/73/822619573.db2.gz PUZSVBFMTMQYPM-BXUZGUMPSA-N 2 0 299.846 1.517 20 30 CDEDRP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240607 912708714 /nfs/dbraw/zinc/70/87/14/912708714.db2.gz HVQKJBCQSQQSHL-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992478491 913207964 /nfs/dbraw/zinc/20/79/64/913207964.db2.gz PQMLCWRNUFMSCJ-SQWLQELKSA-N 2 0 277.412 1.237 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001174950196 913410191 /nfs/dbraw/zinc/41/01/91/913410191.db2.gz WMAYWRAISUCBMP-HNNXBMFYSA-N 2 0 281.444 1.616 20 30 CDEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001175054706 913445378 /nfs/dbraw/zinc/44/53/78/913445378.db2.gz AXGVDUYQDOCIHW-ZDUSSCGKSA-N 2 0 289.851 1.955 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175271761 913523753 /nfs/dbraw/zinc/52/37/53/913523753.db2.gz CTRJFEPQJSPEFD-OAHLLOKOSA-N 2 0 293.455 1.616 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001167235889 894928333 /nfs/dbraw/zinc/92/83/33/894928333.db2.gz BXHWGVGAPFZRGJ-LSDHHAIUSA-N 2 0 291.439 1.084 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106622595 914075207 /nfs/dbraw/zinc/07/52/07/914075207.db2.gz GWSRHWZBOXQLAI-DGCLKSJQSA-N 2 0 287.835 1.375 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001106660563 914112434 /nfs/dbraw/zinc/11/24/34/914112434.db2.gz RWUXUYXMXYXSTJ-OAGGEKHMSA-N 2 0 295.471 1.977 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023377350 897534051 /nfs/dbraw/zinc/53/40/51/897534051.db2.gz KHFKJADXYBNADP-OWCLPIDISA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC(=C)C)CC1 ZINC001176925848 914359273 /nfs/dbraw/zinc/35/92/73/914359273.db2.gz CLPJMFZYODCKDC-UHFFFAOYSA-N 2 0 277.412 1.004 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001167748242 899994616 /nfs/dbraw/zinc/99/46/16/899994616.db2.gz IFXPZXZTJNVYML-UHFFFAOYSA-N 2 0 291.439 1.534 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001028692910 903672476 /nfs/dbraw/zinc/67/24/76/903672476.db2.gz DDWACBJCPXOIMV-CQSZACIVSA-N 2 0 296.374 1.409 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H]1CC ZINC001087725660 905793573 /nfs/dbraw/zinc/79/35/73/905793573.db2.gz YPHGBRFUJNCNTC-QLFBSQMISA-N 2 0 279.428 1.626 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168029794 905935071 /nfs/dbraw/zinc/93/50/71/905935071.db2.gz JZQPGKVCZFOXHA-HUUCEWRRSA-N 2 0 277.412 1.123 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168029795 905935969 /nfs/dbraw/zinc/93/59/69/905935969.db2.gz JZQPGKVCZFOXHA-LSDHHAIUSA-N 2 0 277.412 1.123 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188978673 921259649 /nfs/dbraw/zinc/25/96/49/921259649.db2.gz BXYNBNRSJDIMJU-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N[C@@]12CC[C@@]([NH2+]C)(C1)CCC2 ZINC001271954718 907029060 /nfs/dbraw/zinc/02/90/60/907029060.db2.gz YHXABYQFXWPJFP-SJORKVTESA-N 2 0 291.439 1.819 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001088425532 907148793 /nfs/dbraw/zinc/14/87/93/907148793.db2.gz XWPPOTLPYCWVTD-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCN3C)CCC[C@H]12 ZINC000990016929 909094390 /nfs/dbraw/zinc/09/43/90/909094390.db2.gz PMFBBERDPSWRLO-YQQAZPJKSA-N 2 0 289.423 1.217 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189477606 921496261 /nfs/dbraw/zinc/49/62/61/921496261.db2.gz ICBBOKRBHZULCC-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242488 909819817 /nfs/dbraw/zinc/81/98/17/909819817.db2.gz GWOCLGYNNRWRAA-SOUVJXGZSA-N 2 0 277.412 1.047 20 30 CDEDRP C=C(C)C(=O)OCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172108824 911273591 /nfs/dbraw/zinc/27/35/91/911273591.db2.gz ZVMNQKYBSPRWKC-BTTYYORXSA-N 2 0 266.385 1.711 20 30 CDEDRP N#Cc1cccc(-c2noc(CC3([NH3+])CC[NH2+]CC3)n2)c1 ZINC001212168779 911586641 /nfs/dbraw/zinc/58/66/41/911586641.db2.gz KCTQZDACVAQGPF-UHFFFAOYSA-N 2 0 283.335 1.232 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C)CC1)C2 ZINC001094992561 912124114 /nfs/dbraw/zinc/12/41/14/912124114.db2.gz DHBYDPSROKVWQS-IMJJTQAJSA-N 2 0 291.439 1.483 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178730938 915610803 /nfs/dbraw/zinc/61/08/03/915610803.db2.gz GBVMWUYCPZOEQN-BARDWOONSA-N 2 0 279.428 1.482 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001178728963 915619787 /nfs/dbraw/zinc/61/97/87/915619787.db2.gz KWPFPCARUSFUSB-MRXNPFEDSA-N 2 0 293.455 1.760 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC001179079965 915742427 /nfs/dbraw/zinc/74/24/27/915742427.db2.gz YVQAPBMEPQLQNK-BBRMVZONSA-N 2 0 296.374 1.550 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203359057 915767188 /nfs/dbraw/zinc/76/71/88/915767188.db2.gz NHXXDLKTULVROB-UONOGXRCSA-N 2 0 279.428 1.531 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)CCC[NH+](C)C ZINC001179403322 915825396 /nfs/dbraw/zinc/82/53/96/915825396.db2.gz MZPQRWSRSVMZPZ-UHFFFAOYSA-N 2 0 281.444 1.618 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)CCC[NH+](C)C ZINC001179399580 915826728 /nfs/dbraw/zinc/82/67/28/915826728.db2.gz BJBHHQXEGWACLI-UHFFFAOYSA-N 2 0 267.417 1.228 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001179498628 915863853 /nfs/dbraw/zinc/86/38/53/915863853.db2.gz AKZKOQBAGWZOGI-MRXNPFEDSA-N 2 0 295.471 1.862 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001107042259 917896592 /nfs/dbraw/zinc/89/65/92/917896592.db2.gz CVARQCVBLBAKFS-OAGGEKHMSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001182516106 917928287 /nfs/dbraw/zinc/92/82/87/917928287.db2.gz AEPWYXRXBICDLR-BFYDXBDKSA-N 2 0 295.471 1.833 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)Nc1cccnc1C[NH3+] ZINC001183085797 918277929 /nfs/dbraw/zinc/27/79/29/918277929.db2.gz JTGOGGIZNDDUPE-UHFFFAOYSA-N 2 0 260.341 1.131 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)NCc1ncn2ccccc12 ZINC001183091658 918281186 /nfs/dbraw/zinc/28/11/86/918281186.db2.gz LZJXZOSTEARLFT-UHFFFAOYSA-N 2 0 284.363 1.603 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)Cc2[nH]cnc2C)C[C@H]1C ZINC001183271675 918422161 /nfs/dbraw/zinc/42/21/61/918422161.db2.gz NLLYEDKOQAWYSE-MLGOLLRUSA-N 2 0 290.411 1.521 20 30 CDEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183411008 918474779 /nfs/dbraw/zinc/47/47/79/918474779.db2.gz VVXYYZRJCGJXHR-HLLBOEOZSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)CCC)CCC[C@@H]12 ZINC001107614990 918496657 /nfs/dbraw/zinc/49/66/57/918496657.db2.gz POYFUYLCEGHBTO-NVXWUHKLSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001185049096 919380638 /nfs/dbraw/zinc/38/06/38/919380638.db2.gz AHGIXZLPKUOZQC-GJZGRUSLSA-N 2 0 293.455 1.588 20 30 CDEDRP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001032587112 919442728 /nfs/dbraw/zinc/44/27/28/919442728.db2.gz MPWIGKTXGJUMMG-VGWMRTNUSA-N 2 0 289.423 1.025 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001185551504 919652744 /nfs/dbraw/zinc/65/27/44/919652744.db2.gz ZWNMJHXDQILEOS-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001185751745 919753180 /nfs/dbraw/zinc/75/31/80/919753180.db2.gz QFRPBNPMOCXGTC-HOTGVXAUSA-N 2 0 293.455 1.424 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186833274 920173692 /nfs/dbraw/zinc/17/36/92/920173692.db2.gz DDMRWNAAKCOXFY-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187091682 920363276 /nfs/dbraw/zinc/36/32/76/920363276.db2.gz KYYLQMSPLKBIMQ-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001078782439 920461928 /nfs/dbraw/zinc/46/19/28/920461928.db2.gz AAAXLZQXWDXLGG-UONOGXRCSA-N 2 0 289.423 1.285 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001188098759 920831474 /nfs/dbraw/zinc/83/14/74/920831474.db2.gz DJAVVPYSMXZKCC-OAHLLOKOSA-N 2 0 279.428 1.629 20 30 CDEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190084500 921834305 /nfs/dbraw/zinc/83/43/05/921834305.db2.gz OMHVKDFGIAYTLI-HZPDHXFCSA-N 2 0 291.439 1.415 20 30 CDEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001072729121 936708987 /nfs/dbraw/zinc/70/89/87/936708987.db2.gz QQFJTUOKLXVREL-HNNXBMFYSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190666241 922108085 /nfs/dbraw/zinc/10/80/85/922108085.db2.gz KWQZUEKLHVWBRU-HOTGVXAUSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001098395173 936750219 /nfs/dbraw/zinc/75/02/19/936750219.db2.gz XYCRPMMKZDAWQU-FPCVCCKLSA-N 2 0 291.439 1.626 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192141026 922934867 /nfs/dbraw/zinc/93/48/67/922934867.db2.gz AFKVDHBYIGLLSM-MRXNPFEDSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035853463 923055592 /nfs/dbraw/zinc/05/55/92/923055592.db2.gz XGXDYHNWGBAPRS-AWEZNQCLSA-N 2 0 277.412 1.049 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2ccnc2C)C1 ZINC001192866356 923280004 /nfs/dbraw/zinc/28/00/04/923280004.db2.gz JFESOHGQKYDYII-OAHLLOKOSA-N 2 0 288.395 1.138 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001006001348 923675707 /nfs/dbraw/zinc/67/57/07/923675707.db2.gz MPVPCJOYSQGEPL-HIFRSBDPSA-N 2 0 279.428 1.293 20 30 CDEDRP C[C@H]1CC[N@H+](Cc2cccc(C#N)n2)CC[C@H]1C[NH3+] ZINC001205638110 923779492 /nfs/dbraw/zinc/77/94/92/923779492.db2.gz LKAKOJTZVPOXCI-STQMWFEESA-N 2 0 258.369 1.760 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001082943964 925036256 /nfs/dbraw/zinc/03/62/56/925036256.db2.gz UXQMFVBASAVHPB-OAGGEKHMSA-N 2 0 291.439 1.177 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084608991 925304879 /nfs/dbraw/zinc/30/48/79/925304879.db2.gz RBLRRCDFBUEYBZ-CAOSSQGBSA-N 2 0 291.439 1.435 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084777601 925423753 /nfs/dbraw/zinc/42/37/53/925423753.db2.gz GEUVFUMWGOITBA-HUUCEWRRSA-N 2 0 289.423 1.191 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001085421507 925944194 /nfs/dbraw/zinc/94/41/94/925944194.db2.gz HRXVOICLWFAGJE-HUUCEWRRSA-N 2 0 279.428 1.675 20 30 CDEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102430437 937058014 /nfs/dbraw/zinc/05/80/14/937058014.db2.gz QKHVSFKTFXLRFU-GDBMZVCRSA-N 2 0 291.439 1.036 20 30 CDEDRP CC#CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001085589329 926195925 /nfs/dbraw/zinc/19/59/25/926195925.db2.gz JLRUOUFUFFXTNV-JKSUJKDBSA-N 2 0 291.439 1.415 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC1 ZINC001085648556 926255583 /nfs/dbraw/zinc/25/55/83/926255583.db2.gz PFKJMMSJNQFLRS-HOTGVXAUSA-N 2 0 289.423 1.027 20 30 CDEDRP Cn1ncc(C#N)c1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201651402 926375378 /nfs/dbraw/zinc/37/53/78/926375378.db2.gz SPHZTJIQFOGMSF-UHFFFAOYSA-N 2 0 297.366 1.182 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001086253841 926893753 /nfs/dbraw/zinc/89/37/53/926893753.db2.gz YAYOEJGWYXLRHA-CAOSSQGBSA-N 2 0 293.455 1.777 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001103434171 937141749 /nfs/dbraw/zinc/14/17/49/937141749.db2.gz SGEOAOVBRKGQAG-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550480 937146071 /nfs/dbraw/zinc/14/60/71/937146071.db2.gz SDXISKMPSDDLRM-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103719100 937152373 /nfs/dbraw/zinc/15/23/73/937152373.db2.gz QOHPLLSPSSWCTQ-OAGGEKHMSA-N 2 0 293.455 1.588 20 30 CDEDRP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+](CC)CC)C2 ZINC001108785643 928630747 /nfs/dbraw/zinc/63/07/47/928630747.db2.gz KWIAPQVMKJZEGA-XHSDSOJGSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@@H+](C)CC)C2 ZINC001112557702 929167070 /nfs/dbraw/zinc/16/70/70/929167070.db2.gz SZXKTDUEOXXBKJ-RDJZCZTQSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584864 929797661 /nfs/dbraw/zinc/79/76/61/929797661.db2.gz XRISWULTUROXMN-CHWSQXEVSA-N 2 0 267.417 1.530 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134889439 929954717 /nfs/dbraw/zinc/95/47/17/929954717.db2.gz TVIKFRIJGQIISY-CHWSQXEVSA-N 2 0 284.363 1.454 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135336846 930161867 /nfs/dbraw/zinc/16/18/67/930161867.db2.gz MXEFAYOQHKQUAB-UHFFFAOYSA-N 2 0 273.380 1.091 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135380212 930177887 /nfs/dbraw/zinc/17/78/87/930177887.db2.gz XCBWWIHZBCRUQT-ZIAGYGMSSA-N 2 0 281.444 1.777 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135467296 930216086 /nfs/dbraw/zinc/21/60/86/930216086.db2.gz FMHGSZJGVJUSAC-UONOGXRCSA-N 2 0 279.428 1.224 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939409 930550503 /nfs/dbraw/zinc/55/05/03/930550503.db2.gz ZTPIQZAWTYACHJ-ZIAGYGMSSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959925 930577176 /nfs/dbraw/zinc/57/71/76/930577176.db2.gz VZPPEDLVLYAUNV-CQSZACIVSA-N 2 0 297.443 1.158 20 30 CDEDRP N#Cc1cnc(N[C@@H]([NH3+])CCC[NH3+])c2sccc21 ZINC001170897261 930691676 /nfs/dbraw/zinc/69/16/76/930691676.db2.gz LBRYNTRCWBSSEO-SNVBAGLBSA-N 2 0 261.354 1.604 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153827882 937475225 /nfs/dbraw/zinc/47/52/25/937475225.db2.gz AHSSUJDLPNBHSG-CQSZACIVSA-N 2 0 279.428 1.321 20 30 CDEDRP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCCC#N ZINC001274039744 931139795 /nfs/dbraw/zinc/13/97/95/931139795.db2.gz LYGGYQNLHHFQHU-INIZCTEOSA-N 2 0 292.427 1.309 20 30 CDEDRP C=CCCCC[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001274974340 931621526 /nfs/dbraw/zinc/62/15/26/931621526.db2.gz INBIDWAPHSCVTE-HOTGVXAUSA-N 2 0 281.444 1.289 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171254341 932142013 /nfs/dbraw/zinc/14/20/13/932142013.db2.gz RDBNXVBSOWESLU-HIFRSBDPSA-N 2 0 279.428 1.224 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898399 937601419 /nfs/dbraw/zinc/60/14/19/937601419.db2.gz LPGWAVUPVQBGSB-CQSZACIVSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171311101 932533758 /nfs/dbraw/zinc/53/37/58/932533758.db2.gz MPJSQMOIEFCLPY-CQSZACIVSA-N 2 0 279.428 1.533 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147884199 932629016 /nfs/dbraw/zinc/62/90/16/932629016.db2.gz BKIHZZBFOWHFLZ-UONOGXRCSA-N 2 0 267.417 1.389 20 30 CDEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155004996 937620711 /nfs/dbraw/zinc/62/07/11/937620711.db2.gz CHIDNKYFMVNEOL-CQSZACIVSA-N 2 0 269.433 1.731 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001148839514 932795795 /nfs/dbraw/zinc/79/57/95/932795795.db2.gz PRSXITKQNVRVMU-UHFFFAOYSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925655284 932922517 /nfs/dbraw/zinc/92/25/17/932922517.db2.gz JGRPIBVMYNWFKC-ABDZMETNSA-N 2 0 262.397 1.554 20 30 CDEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001114795069 934969657 /nfs/dbraw/zinc/96/96/57/934969657.db2.gz VJILQBWRUUXIGS-CBBWQLFWSA-N 2 0 279.428 1.195 20 30 CDEDRP CCOCCCNC(=[NH2+])NCC[N@H+](C)C1CCCC1 ZINC000304761432 935088104 /nfs/dbraw/zinc/08/81/04/935088104.db2.gz ULDMSWDYQUDYGM-UHFFFAOYSA-N 2 0 270.421 1.192 20 30 CDEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001014636590 935543375 /nfs/dbraw/zinc/54/33/75/935543375.db2.gz YOBQKQVEHPIYAF-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001019070785 935692400 /nfs/dbraw/zinc/69/24/00/935692400.db2.gz FJKZWRLKWKVASV-ZDUSSCGKSA-N 2 0 284.363 1.633 20 30 CDEDRP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001040260436 935786513 /nfs/dbraw/zinc/78/65/13/935786513.db2.gz FCPPGNLLJSMZSA-WBVHZDCISA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[N@H+]1CC[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001042093180 935812759 /nfs/dbraw/zinc/81/27/59/935812759.db2.gz MMAWZQBUJNEWFV-LSDHHAIUSA-N 2 0 289.423 1.027 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001046569867 935960355 /nfs/dbraw/zinc/96/03/55/935960355.db2.gz PFKCGMTYIZLPNM-YQQAZPJKSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001121238730 937863302 /nfs/dbraw/zinc/86/33/02/937863302.db2.gz TVVYDPOWFNGRJL-UHFFFAOYSA-N 2 0 289.423 1.121 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC001121922423 937890868 /nfs/dbraw/zinc/89/08/68/937890868.db2.gz IZQFYQJRRSQNMN-OLZOCXBDSA-N 2 0 269.433 1.763 20 30 CDEDRP C#CC[C@]1(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)CCC[NH2+]1 ZINC001157969625 938570446 /nfs/dbraw/zinc/57/04/46/938570446.db2.gz MILDFJRYRAYPHA-FUHWJXTLSA-N 2 0 297.402 1.305 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NCCC[NH2+]CC1CC(C)C1 ZINC001160209791 938775377 /nfs/dbraw/zinc/77/53/77/938775377.db2.gz WXPPVTIZZOETOE-GPANFISMSA-N 2 0 291.439 1.226 20 30 CDEDRP C#CC[N@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160359854 938782062 /nfs/dbraw/zinc/78/20/62/938782062.db2.gz DBILAZVZCNLEFZ-UHFFFAOYSA-N 2 0 289.423 1.242 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160862867 938834361 /nfs/dbraw/zinc/83/43/61/938834361.db2.gz YSASDPOHSOMBAG-UONOGXRCSA-N 2 0 265.401 1.285 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H]1CNc1cc(C2C[NH2+]C2)ncn1 ZINC001160957919 938849880 /nfs/dbraw/zinc/84/98/80/938849880.db2.gz XRBMUAWURPDCRF-ZDUSSCGKSA-N 2 0 273.384 1.226 20 30 CDEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001161207801 938879464 /nfs/dbraw/zinc/87/94/64/938879464.db2.gz WQQLEOPYZBHYSF-HOCLYGCPSA-N 2 0 291.439 1.509 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161862861 938936732 /nfs/dbraw/zinc/93/67/32/938936732.db2.gz BFLYPDCSBACQMY-UHFFFAOYSA-N 2 0 272.352 1.620 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001166425097 939608828 /nfs/dbraw/zinc/60/88/28/939608828.db2.gz PBDMHURNFHYDHG-ZDUSSCGKSA-N 2 0 289.851 1.955 20 30 CDEDRP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203577609 939694336 /nfs/dbraw/zinc/69/43/36/939694336.db2.gz RKEISZJNKGRTQT-HUUCEWRRSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203623533 939697334 /nfs/dbraw/zinc/69/73/34/939697334.db2.gz KKIWHSSCQFRCEV-LSDHHAIUSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001205524473 939895966 /nfs/dbraw/zinc/89/59/66/939895966.db2.gz MLGWLXQRQHMXFA-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP N#Cc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cn1 ZINC001205570747 939904199 /nfs/dbraw/zinc/90/41/99/939904199.db2.gz NYJARERNTPOZRF-CQSZACIVSA-N 2 0 262.332 1.606 20 30 CDEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)nc2)CCC[C@@H]1C[NH3+] ZINC001206003505 939966470 /nfs/dbraw/zinc/96/64/70/939966470.db2.gz ITELOXAVFQBUEF-TZMCWYRMSA-N 2 0 258.369 1.760 20 30 CDEDRP C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)CCC[C@@H]1C[NH3+] ZINC001206011309 939967313 /nfs/dbraw/zinc/96/73/13/939967313.db2.gz BMBSHOFESISKQD-CHWSQXEVSA-N 2 0 258.369 1.760 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001206871653 940104950 /nfs/dbraw/zinc/10/49/50/940104950.db2.gz UOLUVQKJLBDVSU-INIZCTEOSA-N 2 0 291.439 1.180 20 30 CDEDRP Cn1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1C#N ZINC001207104190 940149962 /nfs/dbraw/zinc/14/99/62/940149962.db2.gz NFHVNNGHOTUMGF-KGLIPLIRSA-N 2 0 258.369 1.280 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207684493 940230269 /nfs/dbraw/zinc/23/02/69/940230269.db2.gz PBTUTNJHZWAALW-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP CC[NH+]1C[C@@H]2C[NH+](CCc3ccc(C#N)cc3)C[C@H]2C1 ZINC001208927738 940408256 /nfs/dbraw/zinc/40/82/56/940408256.db2.gz DPLOUNZOSZAFQP-IAGOWNOFSA-N 2 0 269.392 1.984 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210674091 940705518 /nfs/dbraw/zinc/70/55/18/940705518.db2.gz NBWAFDMKFGLYTR-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211279596 940745341 /nfs/dbraw/zinc/74/53/41/940745341.db2.gz YURPIALDYHLPDR-HNNXBMFYSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001213678068 940782401 /nfs/dbraw/zinc/78/24/01/940782401.db2.gz BNQOCAIEELVZRO-HUUCEWRRSA-N 2 0 297.443 1.110 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215536212 940892830 /nfs/dbraw/zinc/89/28/30/940892830.db2.gz MOCZOKGGYFYBCD-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP Cc1cc(C#N)c(F)cc1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001219112650 941309887 /nfs/dbraw/zinc/30/98/87/941309887.db2.gz PJUMMFIBKPFRDB-LBPRGKRZSA-N 2 0 292.358 1.791 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001221919539 941555374 /nfs/dbraw/zinc/55/53/74/941555374.db2.gz UQIRQILEVNBHAA-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001223598108 941687790 /nfs/dbraw/zinc/68/77/90/941687790.db2.gz WPEPFYJGUCXJAA-OAHLLOKOSA-N 2 0 279.428 1.178 20 30 CDEDRP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001223846522 941703323 /nfs/dbraw/zinc/70/33/23/941703323.db2.gz NAMZRARCTXOOQQ-CVEARBPZSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001224403113 941748991 /nfs/dbraw/zinc/74/89/91/941748991.db2.gz YOOARYCZWQKDCW-MRXNPFEDSA-N 2 0 295.471 1.977 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)Cn2ccnc2)CC1 ZINC001225659058 941895237 /nfs/dbraw/zinc/89/52/37/941895237.db2.gz XRJQTTKJYIREBW-UHFFFAOYSA-N 2 0 276.384 1.287 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001227083246 942129041 /nfs/dbraw/zinc/12/90/41/942129041.db2.gz QFAHLRVKGRQAGC-BZUAXINKSA-N 2 0 291.439 1.511 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC001263103385 943745212 /nfs/dbraw/zinc/74/52/12/943745212.db2.gz XPWSCPDYGRFFQW-FPMFFAJLSA-N 2 0 265.401 1.269 20 30 CDEDRP CN(C)C(=O)C[N@@H+]1CCC2(C1)CC[NH+](CCCC#N)CC2 ZINC001277943303 944147708 /nfs/dbraw/zinc/14/77/08/944147708.db2.gz RLTGGZKQVSHGOM-UHFFFAOYSA-N 2 0 292.427 1.166 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C2CCOCC2)CC1 ZINC001255046884 947715347 /nfs/dbraw/zinc/71/53/47/947715347.db2.gz DMNWAMMNWWPOAS-UHFFFAOYSA-N 2 0 293.455 1.457 20 30 CDEDRP C=CCCCCCC[C@H](O)C[NH2+]CCNCC[NH3+] ZINC001246010048 947890878 /nfs/dbraw/zinc/89/08/78/947890878.db2.gz WDOXSUDOOPFACX-AWEZNQCLSA-N 2 0 257.422 1.012 20 30 CDEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CC[NH2+][C@@H](CC)C1 ZINC001246302636 948094309 /nfs/dbraw/zinc/09/43/09/948094309.db2.gz DQLKOHOEMOODLW-ZNMIVQPWSA-N 2 0 297.443 1.333 20 30 CDEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCCNCCC[NH3+] ZINC001246451467 948180349 /nfs/dbraw/zinc/18/03/49/948180349.db2.gz HGAHCZRKXZDHOP-AWEZNQCLSA-N 2 0 274.412 1.407 20 30 CDEDRP N#C[C@H]1CC[N@@H+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256697573 948402100 /nfs/dbraw/zinc/40/21/00/948402100.db2.gz FZPBUPFQGIZITC-WLYUNCDWSA-N 2 0 263.385 1.475 20 30 CDEDRP CC[C@H](CC#N)[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246861349 948487115 /nfs/dbraw/zinc/48/71/15/948487115.db2.gz XTLXMEIDKWYPAU-SSZWKKLZSA-N 2 0 291.395 1.009 20 30 CDEDRP C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246909267 948514690 /nfs/dbraw/zinc/51/46/90/948514690.db2.gz OKOCWRJYZLGSIV-OAHLLOKOSA-N 2 0 270.380 1.084 20 30 CDEDRP N#C[C@@H]1C[C@H]([N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)CCN1 ZINC001246934870 948528909 /nfs/dbraw/zinc/52/89/09/948528909.db2.gz CJDNGDZNXLXXFB-YQQAZPJKSA-N 2 0 290.455 1.875 20 30 CDEDRP C=C[C@@](C)(O)CN1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001252560416 951455213 /nfs/dbraw/zinc/45/52/13/951455213.db2.gz RLLOPRJDXYZZDD-JKSUJKDBSA-N 2 0 282.428 1.499 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1C[C@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001252604633 951500545 /nfs/dbraw/zinc/50/05/45/951500545.db2.gz WGFKPENISQRCMQ-KFWWJZLASA-N 2 0 252.402 1.587 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001331615659 957169689 /nfs/dbraw/zinc/16/96/89/957169689.db2.gz LTFSUDWHTUXVNM-OLZOCXBDSA-N 2 0 255.406 1.339 20 30 CDEDRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC001335395424 959771181 /nfs/dbraw/zinc/77/11/81/959771181.db2.gz VGRRRYMUIOBEPO-OLZOCXBDSA-N 2 0 253.390 1.219 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N(CCC)CC[NH+](C)C ZINC001340523670 962984006 /nfs/dbraw/zinc/98/40/06/962984006.db2.gz GMWDIYRNEKXXSH-ZDUSSCGKSA-N 2 0 255.406 1.470 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001442110312 964873181 /nfs/dbraw/zinc/87/31/81/964873181.db2.gz HQIGRALGFCMABN-CYBMUJFWSA-N 2 0 287.835 1.709 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+](CC)CC ZINC001353507303 968025620 /nfs/dbraw/zinc/02/56/20/968025620.db2.gz BAYOSZXUAMSBAV-STQMWFEESA-N 2 0 255.406 1.517 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001100407674 968265461 /nfs/dbraw/zinc/26/54/61/968265461.db2.gz FIIDTGVJLQPUIU-ZALBZXLWSA-N 2 0 279.428 1.387 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001200507511 968360809 /nfs/dbraw/zinc/36/08/09/968360809.db2.gz OUUYVVWLVJUGRW-INIZCTEOSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001100506779 968538627 /nfs/dbraw/zinc/53/86/27/968538627.db2.gz HHUQSGZBTABMQJ-UHFFFAOYSA-N 2 0 296.374 1.456 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001100734102 969039250 /nfs/dbraw/zinc/03/92/50/969039250.db2.gz MVMKRLVKAZWTQJ-UHFFFAOYSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC001357491378 969608331 /nfs/dbraw/zinc/60/83/31/969608331.db2.gz XDVVVTDSMCDYET-UKRRQHHQSA-N 2 0 281.444 1.859 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001406773975 976402155 /nfs/dbraw/zinc/40/21/55/976402155.db2.gz LETNXNHNBVUQID-ZDUSSCGKSA-N 2 0 299.846 1.565 20 30 CDEDRP C=CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132273230 1163225362 /nfs/dbraw/zinc/22/53/62/1163225362.db2.gz FGBPGYACIDDCMS-CHWSQXEVSA-N 2 0 253.390 1.093 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133288480 1163627036 /nfs/dbraw/zinc/62/70/36/1163627036.db2.gz XTHZIRDVZOWQEX-UHFFFAOYSA-N 2 0 253.390 1.000 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635530641 361767643 /nfs/dbraw/zinc/76/76/43/361767643.db2.gz GIVWBIBYHOOEBA-CYBMUJFWSA-N 2 0 265.401 1.095 20 30 CDEDRP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000595611907 343108969 /nfs/dbraw/zinc/10/89/69/343108969.db2.gz OWXOOQBHQSXOBM-HUUCEWRRSA-N 2 0 292.427 1.165 20 30 CDEDRP CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000598592096 343838319 /nfs/dbraw/zinc/83/83/19/343838319.db2.gz FLXOIMYBLGMMDH-OAHLLOKOSA-N 2 0 288.395 1.504 20 30 CDEDRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CC(C)(C)C#N)CC[C@H]21 ZINC000598592619 343839159 /nfs/dbraw/zinc/83/91/59/343839159.db2.gz KEYMRJNGJOLVFT-RBSFLKMASA-N 2 0 279.428 1.703 20 30 CDEDRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598612052 343842284 /nfs/dbraw/zinc/84/22/84/343842284.db2.gz YJWUWMYNGDXLPV-ZIAGYGMSSA-N 2 0 267.417 1.703 20 30 CDEDRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598722608 343884142 /nfs/dbraw/zinc/88/41/42/343884142.db2.gz BXGBIRSXFCNAFJ-CABCVRRESA-N 2 0 281.444 1.855 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCc2ccccc21 ZINC000263267698 362414202 /nfs/dbraw/zinc/41/42/02/362414202.db2.gz VSKLBKFKCDVDHR-AWEZNQCLSA-N 2 0 286.423 1.966 20 30 CDEDRP CNC(NCC(C)(C)[NH2+][C@H](C)c1ccccc1)=[NH+]C ZINC000069672575 349106191 /nfs/dbraw/zinc/10/61/91/349106191.db2.gz GCDPILSQDYDZBW-GFCCVEGCSA-N 2 0 262.401 1.911 20 30 CDEDRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(C#N)n1 ZINC000602654343 350138855 /nfs/dbraw/zinc/13/88/55/350138855.db2.gz AIVDHVFDFNLCLO-UHFFFAOYSA-N 2 0 287.411 1.023 20 30 CDEDRP C[N@@H+]1CC[C@@]2(CCN(Cc3cccc(C#N)n3)C2)C1 ZINC000602671778 350141095 /nfs/dbraw/zinc/14/10/95/350141095.db2.gz IIWDSJKRLAMCAR-OAHLLOKOSA-N 2 0 256.353 1.481 20 30 CDEDRP COc1ccc(NC(=[NH2+])NCC[NH+]2CCCCC2)cc1 ZINC000264126944 362974576 /nfs/dbraw/zinc/97/45/76/362974576.db2.gz SLYJBBUJTNLXDL-UHFFFAOYSA-N 2 0 276.384 1.908 20 30 CDEDRP CN(C[C@@H](O)C[NH2+]CC1CCC(C#N)CC1)C1CC1 ZINC000569962041 363252674 /nfs/dbraw/zinc/25/26/74/363252674.db2.gz OJBQOLVJMDRJNC-PIMMBPRGSA-N 2 0 265.401 1.361 20 30 CDEDRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000271954311 191428868 /nfs/dbraw/zinc/42/88/68/191428868.db2.gz PQZGZGPPLYUEHH-GFCCVEGCSA-N 2 0 291.370 1.805 20 30 CDEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000070189673 356861813 /nfs/dbraw/zinc/86/18/13/356861813.db2.gz OPMZWYFYDTWQGA-UHFFFAOYSA-N 2 0 279.428 1.509 20 30 CDEDRP C#C[C@@H](NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)C(C)C ZINC000262091373 359134720 /nfs/dbraw/zinc/13/47/20/359134720.db2.gz GKIJKYCJWTUPFC-QWHCGFSZSA-N 2 0 250.390 1.033 20 30 CDEDRP C#Cc1cccc(NC(=O)CN(C)CCn2ccnc2C)c1 ZINC000270825667 359416685 /nfs/dbraw/zinc/41/66/85/359416685.db2.gz KJXBROBZMPTXDC-UHFFFAOYSA-N 2 0 296.374 1.743 20 30 CDEDRP C=CCOCCC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000348044391 359794621 /nfs/dbraw/zinc/79/46/21/359794621.db2.gz HKUXPROADNLAEW-UHFFFAOYSA-N 2 0 269.433 1.148 20 30 CDEDRP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000361465277 368832816 /nfs/dbraw/zinc/83/28/16/368832816.db2.gz VFYRASYJIYDNTP-HZSPNIEDSA-N 2 0 251.374 1.115 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001661459781 1172393739 /nfs/dbraw/zinc/39/37/39/1172393739.db2.gz KOKYILMJYSTSHD-MGPQQGTHSA-N 2 0 265.401 1.284 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]([NH3+])CC)CC1 ZINC000417545567 377932002 /nfs/dbraw/zinc/93/20/02/377932002.db2.gz XREIGLFZIGZJKF-GFCCVEGCSA-N 2 0 268.405 1.063 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000345287009 391117352 /nfs/dbraw/zinc/11/73/52/391117352.db2.gz XETDYNVLKMOYOU-ZIAGYGMSSA-N 2 0 279.428 1.626 20 30 CDEDRP C[N@H+](CCNC(=[NH2+])Nc1ccccn1)C1CCCC1 ZINC000178569022 391187884 /nfs/dbraw/zinc/18/78/84/391187884.db2.gz BEJHHOOFAKHSNO-UHFFFAOYSA-N 2 0 261.373 1.683 20 30 CDEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000269482383 391249540 /nfs/dbraw/zinc/24/95/40/391249540.db2.gz OVKRAWVQKFFFES-OAHLLOKOSA-N 2 0 287.411 1.030 20 30 CDEDRP C=CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000267437720 391194254 /nfs/dbraw/zinc/19/42/54/391194254.db2.gz OEPFEVUBORJASL-OAHLLOKOSA-N 2 0 272.396 1.741 20 30 CDEDRP C[C@H]1C[NH+]=C(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)N1 ZINC000262685702 391812493 /nfs/dbraw/zinc/81/24/93/391812493.db2.gz YIFJCTGQSHYDLM-QWHCGFSZSA-N 2 0 292.452 1.897 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000364740257 262260944 /nfs/dbraw/zinc/26/09/44/262260944.db2.gz PYUQEWIGWXOFEB-JKSUJKDBSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N(CCC)[C@H]2CC[NH2+]C2)CC1 ZINC000417534268 264422674 /nfs/dbraw/zinc/42/26/74/264422674.db2.gz VVVGGMAUDLAIRS-HNNXBMFYSA-N 2 0 294.443 1.420 20 30 CDEDRP COCCN1CCC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185801728 329329204 /nfs/dbraw/zinc/32/92/04/329329204.db2.gz AWDWOTDVLYACSH-UKRRQHHQSA-N 2 0 265.401 1.769 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000564845608 327009390 /nfs/dbraw/zinc/00/93/90/327009390.db2.gz VEVQXHDSRXSTRP-INIZCTEOSA-N 2 0 281.444 1.072 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC1(C)C ZINC000262398716 330012703 /nfs/dbraw/zinc/01/27/03/330012703.db2.gz NGSUTWYEEVRSGU-RYUDHWBXSA-N 2 0 252.406 1.421 20 30 CDEDRP CC1(C)CCC[N@H+](CCNC(=[NH2+])NC2CCC2)C1 ZINC000263152155 330046132 /nfs/dbraw/zinc/04/61/32/330046132.db2.gz PPLNYCMHXJOHPC-UHFFFAOYSA-N 2 0 252.406 1.565 20 30 CDEDRP N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](CN3CCOCC3)C2)C1 ZINC000429682901 330059387 /nfs/dbraw/zinc/05/93/87/330059387.db2.gz HNZXYHZEBKKBSO-QLFBSQMISA-N 2 0 263.385 1.333 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C1(C)C[NH2+]C1)C(C)C ZINC000423342494 330192111 /nfs/dbraw/zinc/19/21/11/330192111.db2.gz NDOKYYIKHLNXTA-CQSZACIVSA-N 2 0 279.428 1.411 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000423372994 330195359 /nfs/dbraw/zinc/19/53/59/330195359.db2.gz GOAZJINXQGWSOR-TZMCWYRMSA-N 2 0 267.417 1.372 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000424056770 330218511 /nfs/dbraw/zinc/21/85/11/330218511.db2.gz HWUBAUYHDVXUGT-GFCCVEGCSA-N 2 0 266.389 1.175 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000424125919 330259103 /nfs/dbraw/zinc/25/91/03/330259103.db2.gz AXGKFRQTLWYEKK-HUUCEWRRSA-N 2 0 292.427 1.484 20 30 CDEDRP CCC[N@H+](C)C[C@H]1CCN([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000174959446 333011843 /nfs/dbraw/zinc/01/18/43/333011843.db2.gz WYFOESYYPKLPLJ-LSDHHAIUSA-N 2 0 294.443 1.411 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC000552920318 334350765 /nfs/dbraw/zinc/35/07/65/334350765.db2.gz XCDVKTYUKHYUIS-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001752836037 1160627168 /nfs/dbraw/zinc/62/71/68/1160627168.db2.gz KCUAWLSSIJASCB-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001112906738 1162057297 /nfs/dbraw/zinc/05/72/97/1162057297.db2.gz NHFNPAHEINYXFD-OAHLLOKOSA-N 2 0 299.434 1.777 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH+](C)C)C(C)C)CC1 ZINC000733164269 575102570 /nfs/dbraw/zinc/10/25/70/575102570.db2.gz NZOZPERAXMOBLL-OAHLLOKOSA-N 2 0 279.428 1.034 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000764585828 575923450 /nfs/dbraw/zinc/92/34/50/575923450.db2.gz VYDMJQUYGJFIOW-HNNXBMFYSA-N 2 0 279.428 1.439 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000764154214 576782277 /nfs/dbraw/zinc/78/22/77/576782277.db2.gz YXXCFFZYBMKTLT-UHFFFAOYSA-N 2 0 287.407 1.279 20 30 CDEDRP CC(C)[N@H+]1CC(=NNC(=S)NCCC[NH+](C)C)[C@H](C)C1 ZINC000754259796 576888357 /nfs/dbraw/zinc/88/83/57/576888357.db2.gz QFLYWCQILPVYOA-GFCCVEGCSA-N 2 0 299.488 1.118 20 30 CDEDRP CC(C)[N@H+]1CC(=NNC(=S)NCCC[NH+](C)C)[C@@H](C)C1 ZINC000754259799 576888463 /nfs/dbraw/zinc/88/84/63/576888463.db2.gz QFLYWCQILPVYOA-LBPRGKRZSA-N 2 0 299.488 1.118 20 30 CDEDRP C#CC[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000963912358 612955503 /nfs/dbraw/zinc/95/55/03/612955503.db2.gz KACZXYKLVSLRCC-FHERZECASA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000972188994 613088329 /nfs/dbraw/zinc/08/83/29/613088329.db2.gz KLJXGCMHBFHXKZ-CQSZACIVSA-N 2 0 289.379 1.121 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000980473052 613095433 /nfs/dbraw/zinc/09/54/33/613095433.db2.gz YMQKDKABWCFJAF-KRWDZBQOSA-N 2 0 299.418 1.528 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000977920638 613278583 /nfs/dbraw/zinc/27/85/83/613278583.db2.gz MTBBNCYDZCHUBI-LVQVYYBASA-N 2 0 291.439 1.341 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980391308 613290198 /nfs/dbraw/zinc/29/01/98/613290198.db2.gz PKWCKFVSTTUEIW-KBPBESRZSA-N 2 0 265.401 1.047 20 30 CDEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000970050338 613301858 /nfs/dbraw/zinc/30/18/58/613301858.db2.gz MGLCXBMPZVFLRY-AWEZNQCLSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975048472 613337997 /nfs/dbraw/zinc/33/79/97/613337997.db2.gz IFHVFAAQQSIQKP-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC000960778957 613344284 /nfs/dbraw/zinc/34/42/84/613344284.db2.gz WVEYSNUAAMDUOU-FICVDOATSA-N 2 0 289.423 1.237 20 30 CDEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969651815 613530319 /nfs/dbraw/zinc/53/03/19/613530319.db2.gz ARBMVHRHSBWPIQ-ZBFHGGJFSA-N 2 0 291.439 1.319 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942598421 613578221 /nfs/dbraw/zinc/57/82/21/613578221.db2.gz XHQQDGXCYQRVED-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972485517 613614469 /nfs/dbraw/zinc/61/44/69/613614469.db2.gz LKOJEVYFXKVNSN-CVEARBPZSA-N 2 0 293.455 1.968 20 30 CDEDRP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000974652970 613827222 /nfs/dbraw/zinc/82/72/22/613827222.db2.gz GCTZDKFNYXLCMN-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000157385984 617982775 /nfs/dbraw/zinc/98/27/75/617982775.db2.gz YBPLZXUUMHECIU-UONOGXRCSA-N 2 0 284.448 1.294 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000104168033 617985716 /nfs/dbraw/zinc/98/57/16/617985716.db2.gz LGLMJPDUUYGPGV-STQMWFEESA-N 2 0 252.406 1.587 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000911699289 629423412 /nfs/dbraw/zinc/42/34/12/629423412.db2.gz PEXULNRLVRNVTI-OLZOCXBDSA-N 2 0 255.406 1.542 20 30 CDEDRP C=CC[NH2+][C@H](C)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001752913204 1161139213 /nfs/dbraw/zinc/13/92/13/1161139213.db2.gz INSGSCHMIOPRDB-ZBFHGGJFSA-N 2 0 289.423 1.960 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132426397 1163282744 /nfs/dbraw/zinc/28/27/44/1163282744.db2.gz WZMOWKBHBHRUBU-GJZGRUSLSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886232 1163501073 /nfs/dbraw/zinc/50/10/73/1163501073.db2.gz HGYLUZGYFXJANZ-ILXRZTDVSA-N 2 0 281.444 1.777 20 30 CDEDRP CC#CC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC001574972748 1171071735 /nfs/dbraw/zinc/07/17/35/1171071735.db2.gz PMEVALMXQAAPLZ-KGLIPLIRSA-N 2 0 291.395 1.519 20 30 CDEDRP CC#CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001574973401 1171071915 /nfs/dbraw/zinc/07/19/15/1171071915.db2.gz VGSXFOFNYGZPLZ-IRXDYDNUSA-N 2 0 299.418 1.508 20 30 CDEDRP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001713464136 1178580890 /nfs/dbraw/zinc/58/08/90/1178580890.db2.gz XFOAQCFSPIMXMS-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001752484727 1184869974 /nfs/dbraw/zinc/86/99/74/1184869974.db2.gz REBZLPPGMZQPKS-ZFWWWQNUSA-N 2 0 279.428 1.389 20 30 CDEDRP C=CC[NH2+][C@H](C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001753014907 1184995609 /nfs/dbraw/zinc/99/56/09/1184995609.db2.gz TZYLUCSRGXIBIY-CJNGLKHVSA-N 2 0 299.434 1.869 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001753039602 1185005985 /nfs/dbraw/zinc/00/59/85/1185005985.db2.gz GHYZXNUTZGFQTC-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753109259 1185066498 /nfs/dbraw/zinc/06/64/98/1185066498.db2.gz RKZMKAVVYXZUAV-HNNXBMFYSA-N 2 0 291.439 1.465 20 30 CDEDRP CN(CC[NH2+]CC#Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001753260847 1185135155 /nfs/dbraw/zinc/13/51/55/1185135155.db2.gz YPHZUPLVXZAUOV-KRWDZBQOSA-N 2 0 299.418 1.038 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)C(C)C)C1 ZINC001753322282 1185154677 /nfs/dbraw/zinc/15/46/77/1185154677.db2.gz HDFJXURJVZCKCB-HNNXBMFYSA-N 2 0 281.444 1.826 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001753336598 1185160852 /nfs/dbraw/zinc/16/08/52/1185160852.db2.gz WQOPNYZGDOEQGR-HNNXBMFYSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CCCC[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001754044680 1185440172 /nfs/dbraw/zinc/44/01/72/1185440172.db2.gz ODPIVUXLJMDMKZ-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001754255570 1185532647 /nfs/dbraw/zinc/53/26/47/1185532647.db2.gz RQFRVWMWJUWPJI-CVEARBPZSA-N 2 0 293.455 1.615 20 30 CDEDRP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001754336409 1185586329 /nfs/dbraw/zinc/58/63/29/1185586329.db2.gz LJAULQRYCMLALN-CABCVRRESA-N 2 0 281.444 1.729 20 30 CDEDRP C=C(C)C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001754389252 1185605207 /nfs/dbraw/zinc/60/52/07/1185605207.db2.gz YMDXDDRKDBRTIS-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CC[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001754417506 1185612624 /nfs/dbraw/zinc/61/26/24/1185612624.db2.gz ZYPHRWGVEMQHFS-HNNXBMFYSA-N 2 0 279.428 1.178 20 30 CDEDRP C=C(C)CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001754524677 1185658707 /nfs/dbraw/zinc/65/87/07/1185658707.db2.gz NFURCJCUOMFWPK-AWEZNQCLSA-N 2 0 279.428 1.533 20 30 CDEDRP C=C(C)CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001754532037 1185662391 /nfs/dbraw/zinc/66/23/91/1185662391.db2.gz YEUCWWUZJUXDOQ-AWEZNQCLSA-N 2 0 279.428 1.533 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001754622054 1185687345 /nfs/dbraw/zinc/68/73/45/1185687345.db2.gz CWUAZUYQHHWACW-INIZCTEOSA-N 2 0 291.439 1.466 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001754874638 1185754326 /nfs/dbraw/zinc/75/43/26/1185754326.db2.gz HIKLLYSPTVJLMW-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001755024764 1185789252 /nfs/dbraw/zinc/78/92/52/1185789252.db2.gz IDVGIQGXKRNNTA-AWEZNQCLSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001755242692 1185872608 /nfs/dbraw/zinc/87/26/08/1185872608.db2.gz OPTITSYYFXKXOR-NEPJUHHUSA-N 2 0 284.363 1.372 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001755315386 1185913136 /nfs/dbraw/zinc/91/31/36/1185913136.db2.gz ONRTUWNTWWEPFQ-LSDHHAIUSA-N 2 0 283.460 1.975 20 30 CDEDRP C=CC[N@@H+](C)CCN(C(=O)Cn1cncc1C)C(C)C ZINC001755811673 1186075715 /nfs/dbraw/zinc/07/57/15/1186075715.db2.gz CYZFVWYBRQILGP-UHFFFAOYSA-N 2 0 278.400 1.546 20 30 CDEDRP C[NH+](C)[C@H]1CCCN(c2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001165037695 721885294 /nfs/dbraw/zinc/88/52/94/721885294.db2.gz ZTSMUMFJVGDPLQ-AWEZNQCLSA-N 2 0 299.422 1.519 20 30 CDEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001016544036 828346376 /nfs/dbraw/zinc/34/63/76/828346376.db2.gz SHMYBOVDSSVNHJ-GJZGRUSLSA-N 2 0 291.439 1.627 20 30 CDEDRP CCCCNC(=[NH2+])NCCC1CC[NH+](CC)CC1 ZINC000304752702 828461826 /nfs/dbraw/zinc/46/18/26/828461826.db2.gz KMHHBEGACBVYEJ-UHFFFAOYSA-N 2 0 254.422 1.813 20 30 CDEDRP CC(=NNC1=[NH+]CCN1)c1ccc(C[NH+](C)C)cc1 ZINC000841659371 822716892 /nfs/dbraw/zinc/71/68/92/822716892.db2.gz JVNYMWMBKHSNQF-UHFFFAOYSA-N 2 0 259.357 1.021 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCF)CC1 ZINC001034663729 822735816 /nfs/dbraw/zinc/73/58/16/822735816.db2.gz JYIJQNDYHOUVGC-KKUMJFAQSA-N 2 0 295.402 1.071 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(C)cc1 ZINC000304748738 828569503 /nfs/dbraw/zinc/56/95/03/828569503.db2.gz HHZRRRPBZBSCRD-MRXNPFEDSA-N 2 0 288.439 1.926 20 30 CDEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041785466 823938221 /nfs/dbraw/zinc/93/82/21/823938221.db2.gz ICCFWNKQIODOSR-WBVHZDCISA-N 2 0 291.439 1.439 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999145778 824024152 /nfs/dbraw/zinc/02/41/52/824024152.db2.gz SJHNPSZXPJGRIR-HUUCEWRRSA-N 2 0 277.412 1.073 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001002476075 824030358 /nfs/dbraw/zinc/03/03/58/824030358.db2.gz PBLAXBRHNLHCSG-CQSZACIVSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CC[NH2+]C1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001026582694 824114784 /nfs/dbraw/zinc/11/47/84/824114784.db2.gz UHEDPXVOILHYBH-UHFFFAOYSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001052255244 824179003 /nfs/dbraw/zinc/17/90/03/824179003.db2.gz XYXBHOFHRKFLSE-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001074888675 824199732 /nfs/dbraw/zinc/19/97/32/824199732.db2.gz UDVVSMIIBYLGNJ-AVGNSLFASA-N 2 0 287.835 1.658 20 30 CDEDRP C[C@@H](C[NH+]=C(NCc1ccccc1)N(C)C)C[NH+](C)C ZINC000849030648 824251775 /nfs/dbraw/zinc/25/17/75/824251775.db2.gz QVTUECIYEKMPGT-AWEZNQCLSA-N 2 0 276.428 1.892 20 30 CDEDRP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001023371999 824254995 /nfs/dbraw/zinc/25/49/95/824254995.db2.gz KPBVWWXJBHUCIW-HRCADAONSA-N 2 0 291.439 1.178 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)Cn2ccnc2C)CC[C@@H]1C ZINC001072085614 824255266 /nfs/dbraw/zinc/25/52/66/824255266.db2.gz WFFJMVMXJLPLOR-ZFWWWQNUSA-N 2 0 288.395 1.184 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001016330736 824340806 /nfs/dbraw/zinc/34/08/06/824340806.db2.gz UZFWMCYVXLUCSE-INIZCTEOSA-N 2 0 291.439 1.178 20 30 CDEDRP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1C#N ZINC000087824047 824353430 /nfs/dbraw/zinc/35/34/30/824353430.db2.gz BVVSNUWSNYAUAK-AWEZNQCLSA-N 2 0 273.380 1.998 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001022103696 828641520 /nfs/dbraw/zinc/64/15/20/828641520.db2.gz LEALYLLVTCCGQC-YIYPIFLZSA-N 2 0 265.401 1.140 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071796766 824392266 /nfs/dbraw/zinc/39/22/66/824392266.db2.gz WYWRXLWCFNXCGA-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023378684 824413906 /nfs/dbraw/zinc/41/39/06/824413906.db2.gz CZNCNNLSNIWXNW-RBSFLKMASA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001020239360 824472791 /nfs/dbraw/zinc/47/27/91/824472791.db2.gz YBDNHUHPDSTBQE-DZKIICNBSA-N 2 0 291.439 1.816 20 30 CDEDRP C=C(Cl)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000852753040 824473741 /nfs/dbraw/zinc/47/37/41/824473741.db2.gz UOWGZIQRURSKAF-YNEHKIRRSA-N 2 0 258.793 1.957 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NCC1=CC[N@H+](C(C)C)CC1 ZINC001000788621 824485227 /nfs/dbraw/zinc/48/52/27/824485227.db2.gz WDMUOQIMUVSHCU-INIZCTEOSA-N 2 0 289.423 1.241 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032128532 824494048 /nfs/dbraw/zinc/49/40/48/824494048.db2.gz GLSOQKAULVZDHI-JKSUJKDBSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001050663586 828656620 /nfs/dbraw/zinc/65/66/20/828656620.db2.gz VRLPEDPODYYUGR-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001000157289 824547168 /nfs/dbraw/zinc/54/71/68/824547168.db2.gz GXCBMAFIRQDNNL-QWHCGFSZSA-N 2 0 286.379 1.043 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001006001345 824568465 /nfs/dbraw/zinc/56/84/65/824568465.db2.gz MPVPCJOYSQGEPL-DZGCQCFKSA-N 2 0 279.428 1.293 20 30 CDEDRP CCCCCCNC(=[NH2+])NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000303780497 824596583 /nfs/dbraw/zinc/59/65/83/824596583.db2.gz LLMJUDFSAHIKRS-HNNXBMFYSA-N 2 0 298.475 1.828 20 30 CDEDRP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024447380 824733931 /nfs/dbraw/zinc/73/39/31/824733931.db2.gz VKRGOKXMJAKDFJ-OWCLPIDISA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001038443160 824755390 /nfs/dbraw/zinc/75/53/90/824755390.db2.gz GQHMTRYNCVKYBT-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CC=C)CC2)CC1 ZINC000997362579 824812428 /nfs/dbraw/zinc/81/24/28/824812428.db2.gz AJYOAJKALIJGFB-UHFFFAOYSA-N 2 0 289.423 1.098 20 30 CDEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000834494954 824818399 /nfs/dbraw/zinc/81/83/99/824818399.db2.gz RJMRMEXASGRXCE-QLFBSQMISA-N 2 0 292.427 1.292 20 30 CDEDRP CC#CCN1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001007635219 824835747 /nfs/dbraw/zinc/83/57/47/824835747.db2.gz JTYMUDPJFFFGHL-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C[NH+](C)CCCNC(=S)NN=C1CCC[C@@H]([NH+](C)C)C1 ZINC000788430011 824862442 /nfs/dbraw/zinc/86/24/42/824862442.db2.gz RCSQOKSXDZHWGM-CYBMUJFWSA-N 2 0 299.488 1.262 20 30 CDEDRP C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001017552733 828703893 /nfs/dbraw/zinc/70/38/93/828703893.db2.gz HVQQTYRPMXZTMZ-XHSDSOJGSA-N 2 0 291.439 1.720 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001155174946 1167102267 /nfs/dbraw/zinc/10/22/67/1167102267.db2.gz MOOUUORSALRHMO-CABCVRRESA-N 2 0 281.444 1.567 20 30 CDEDRP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001028579539 825212414 /nfs/dbraw/zinc/21/24/14/825212414.db2.gz GVDADPHLFKXYLU-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC001027503402 825300514 /nfs/dbraw/zinc/30/05/14/825300514.db2.gz PCEFBXMCCHVPLD-CQSZACIVSA-N 2 0 290.411 1.462 20 30 CDEDRP C=CC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000852410482 825301009 /nfs/dbraw/zinc/30/10/09/825301009.db2.gz MRCLRDMBNUKTDR-LSDHHAIUSA-N 2 0 252.402 1.731 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001076241415 825358416 /nfs/dbraw/zinc/35/84/16/825358416.db2.gz OFIFEIJFBZEBNO-OWCLPIDISA-N 2 0 291.439 1.580 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008762634 825418661 /nfs/dbraw/zinc/41/86/61/825418661.db2.gz VLTMKQYPCQARCR-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000997597375 825422886 /nfs/dbraw/zinc/42/28/86/825422886.db2.gz UEIYJGJMRTVHEN-SQWLQELKSA-N 2 0 293.455 1.729 20 30 CDEDRP C[C@H](CC[NH+]=C(N(C)C)N(C)C)[NH+]1CCCCC1 ZINC000305822501 825459800 /nfs/dbraw/zinc/45/98/00/825459800.db2.gz PLTJHIHHLDVSHL-CYBMUJFWSA-N 2 0 254.422 1.730 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001015706246 825580991 /nfs/dbraw/zinc/58/09/91/825580991.db2.gz SUHVLEALKYRKSV-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000986824194 825603062 /nfs/dbraw/zinc/60/30/62/825603062.db2.gz KXYIXKHPTPPCIK-GXTWGEPZSA-N 2 0 265.401 1.093 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001022089212 825652628 /nfs/dbraw/zinc/65/26/28/825652628.db2.gz HAUVQSOYHOLNDE-HZSPNIEDSA-N 2 0 297.830 1.318 20 30 CDEDRP C=CCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071795551 825715065 /nfs/dbraw/zinc/71/50/65/825715065.db2.gz LGBGNVUFBSIPES-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033072068 825778050 /nfs/dbraw/zinc/77/80/50/825778050.db2.gz JLLVZTGRBAADNR-LSDHHAIUSA-N 2 0 279.428 1.578 20 30 CDEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C ZINC001039343176 826007341 /nfs/dbraw/zinc/00/73/41/826007341.db2.gz KEZLOGPAYUKYQQ-QLFBSQMISA-N 2 0 277.412 1.332 20 30 CDEDRP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873294535 826073422 /nfs/dbraw/zinc/07/34/22/826073422.db2.gz WGFZWGDFNMOCSA-QLFBSQMISA-N 2 0 277.412 1.817 20 30 CDEDRP N#Cc1ccc(CN2CCC([NH2+]C[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC000873253043 826086692 /nfs/dbraw/zinc/08/66/92/826086692.db2.gz YDZIWNOVBMEJFG-CALCHBBNSA-N 2 0 298.434 1.850 20 30 CDEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001005478107 826126284 /nfs/dbraw/zinc/12/62/84/826126284.db2.gz WIYOBBJYPPBMCF-MRXNPFEDSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001048897252 826134250 /nfs/dbraw/zinc/13/42/50/826134250.db2.gz VKOKWGGDARAFBQ-ZNMIVQPWSA-N 2 0 277.412 1.047 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028117254 826224290 /nfs/dbraw/zinc/22/42/90/826224290.db2.gz OLOMBHVTHLYPSY-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001048512581 826245251 /nfs/dbraw/zinc/24/52/51/826245251.db2.gz YQRPXOSVDJHNCZ-QKPAOTATSA-N 2 0 291.439 1.626 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001026100129 826343485 /nfs/dbraw/zinc/34/34/85/826343485.db2.gz YPCBHAXJZPMQNJ-LJIZCISZSA-N 2 0 289.423 1.236 20 30 CDEDRP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC001041712631 826353182 /nfs/dbraw/zinc/35/31/82/826353182.db2.gz SEXWAVJRTDXMBE-OAHLLOKOSA-N 2 0 274.368 1.063 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001014780661 826431231 /nfs/dbraw/zinc/43/12/31/826431231.db2.gz URUNNEBHAUUKQQ-HOTGVXAUSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(Cl)CN1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001003631926 826529150 /nfs/dbraw/zinc/52/91/50/826529150.db2.gz WVQWEOJSRKUJEO-FZMZJTMJSA-N 2 0 299.846 1.517 20 30 CDEDRP C[C@H]1CCCN(C(=[NH2+])NCC(C)(C)C[NH+](C)C)C1 ZINC000303715023 826711309 /nfs/dbraw/zinc/71/13/09/826711309.db2.gz RVQOPPUAFFVJSJ-LBPRGKRZSA-N 2 0 254.422 1.621 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001020463057 826808308 /nfs/dbraw/zinc/80/83/08/826808308.db2.gz SQIPJBOQQHKSBC-HDJSIYSDSA-N 2 0 279.428 1.674 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000989634490 826813875 /nfs/dbraw/zinc/81/38/75/826813875.db2.gz DWFMVLKYBJSUFX-GOEBONIOSA-N 2 0 291.439 1.319 20 30 CDEDRP CC[C@H](C)NC(=[NH2+])NCC1(C[NH+](C)C)CCCC1 ZINC000305818593 826819714 /nfs/dbraw/zinc/81/97/14/826819714.db2.gz NMDJFYQCGYZEKJ-LBPRGKRZSA-N 2 0 254.422 1.811 20 30 CDEDRP C=CC[NH+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048870936 826829045 /nfs/dbraw/zinc/82/90/45/826829045.db2.gz FXKALZPTTRYNAP-XHSDSOJGSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014409150 826843195 /nfs/dbraw/zinc/84/31/95/826843195.db2.gz QMPQLWPRKLODMD-LSDHHAIUSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CCOCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878746675 826858150 /nfs/dbraw/zinc/85/81/50/826858150.db2.gz BYXNMXSEMJBDAW-UHFFFAOYSA-N 2 0 259.353 1.244 20 30 CDEDRP C#C[C@@](C)(CC)[NH2+]CCOCC[NH2+][C@](C)(C#C)CC ZINC000852101603 826891786 /nfs/dbraw/zinc/89/17/86/826891786.db2.gz RGOJVRORSJXIQK-IYBDPMFKSA-N 2 0 264.413 1.786 20 30 CDEDRP C=C(C)C[NH+]1CCC(N[C@@H](C)c2cnnn2C)CC1 ZINC000820809804 827016862 /nfs/dbraw/zinc/01/68/62/827016862.db2.gz INGVAZXEZQZKBP-LBPRGKRZSA-N 2 0 263.389 1.506 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCC=C)CC1 ZINC001039042813 827035938 /nfs/dbraw/zinc/03/59/38/827035938.db2.gz XFJOBKYOBFOWRE-INIZCTEOSA-N 2 0 289.423 1.098 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001016828917 827059416 /nfs/dbraw/zinc/05/94/16/827059416.db2.gz JRHZJHLIOKUWKS-CABCVRRESA-N 2 0 291.439 1.627 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001028335680 827079735 /nfs/dbraw/zinc/07/97/35/827079735.db2.gz ZFMSNKQOZZQOQZ-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001028759653 827090090 /nfs/dbraw/zinc/09/00/90/827090090.db2.gz ZJWNEYMVOUFUAL-HZPDHXFCSA-N 2 0 293.455 1.733 20 30 CDEDRP C[C@@H]1CNC(NN=C2CC[NH+](CCC(F)(F)F)CC2)=[NH+]1 ZINC000779795819 827206858 /nfs/dbraw/zinc/20/68/58/827206858.db2.gz YQEJHWGBUWQXLG-SECBINFHSA-N 2 0 291.321 1.328 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000883131285 827243365 /nfs/dbraw/zinc/24/33/65/827243365.db2.gz UPFZVQWMHRJUQO-UHFFFAOYSA-N 2 0 257.381 1.615 20 30 CDEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000985468905 827250847 /nfs/dbraw/zinc/25/08/47/827250847.db2.gz CFNDAAMMODCUFZ-MRXNPFEDSA-N 2 0 293.455 1.826 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH+]1CCC[C@H](C)C1 ZINC000303878970 827427654 /nfs/dbraw/zinc/42/76/54/827427654.db2.gz GHDZJPQIKQWAKQ-LSDHHAIUSA-N 3 0 295.475 1.107 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001036227442 827511418 /nfs/dbraw/zinc/51/14/18/827511418.db2.gz XTYNNMPNJSCTIE-HZPDHXFCSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001001238073 827520240 /nfs/dbraw/zinc/52/02/40/827520240.db2.gz NEERPPFXSGMVKY-CQSZACIVSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001008535304 827626989 /nfs/dbraw/zinc/62/69/89/827626989.db2.gz SEKJYHLVHJYJQK-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001008539029 827629785 /nfs/dbraw/zinc/62/97/85/827629785.db2.gz JWBYVTXCYAIGMV-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001015709692 827792370 /nfs/dbraw/zinc/79/23/70/827792370.db2.gz BUYGNWYYDCJIKS-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033426779 827858760 /nfs/dbraw/zinc/85/87/60/827858760.db2.gz VATKHYVFYKUARD-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001072858653 827884903 /nfs/dbraw/zinc/88/49/03/827884903.db2.gz CJESRSVGCZOWBP-AWEZNQCLSA-N 2 0 277.412 1.191 20 30 CDEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000303868670 827979940 /nfs/dbraw/zinc/97/99/40/827979940.db2.gz DKVKYKRWSLQMPM-INIZCTEOSA-N 2 0 288.439 1.865 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000998781961 828000523 /nfs/dbraw/zinc/00/05/23/828000523.db2.gz ZOBZWIWGFYIRJV-NRXISQOPSA-N 2 0 277.412 1.093 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996608021 828327061 /nfs/dbraw/zinc/32/70/61/828327061.db2.gz AHHKSXUTULOUEM-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001050460343 828327873 /nfs/dbraw/zinc/32/78/73/828327873.db2.gz VKEQMSZMUHVCNM-CQSZACIVSA-N 2 0 277.412 1.191 20 30 CDEDRP CC[N@@H+]1CC[C@H](NC(=[NH2+])c2ccc(Cl)cn2)C1 ZINC001173351374 912442055 /nfs/dbraw/zinc/44/20/55/912442055.db2.gz XKMAOXSHGZRNQL-JTQLQIEISA-N 2 0 252.749 1.535 20 30 CDEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1C)C2 ZINC001095234277 912668886 /nfs/dbraw/zinc/66/88/86/912668886.db2.gz OJDJMSGPBUWFBV-CBBWQLFWSA-N 2 0 277.412 1.378 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174947747 913411825 /nfs/dbraw/zinc/41/18/25/913411825.db2.gz DSHWIQDNWRUJAA-AWEZNQCLSA-N 2 0 279.428 1.226 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001174961001 913416039 /nfs/dbraw/zinc/41/60/39/913416039.db2.gz JAZSFIKDFKVOTJ-AWEZNQCLSA-N 2 0 267.417 1.226 20 30 CDEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001266439192 894898035 /nfs/dbraw/zinc/89/80/35/894898035.db2.gz JNAJIVUVUGWYEZ-CABCVRRESA-N 2 0 281.444 1.633 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001203202800 895551897 /nfs/dbraw/zinc/55/18/97/895551897.db2.gz AOEBOBQGIMZHHK-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267067091 896674950 /nfs/dbraw/zinc/67/49/50/896674950.db2.gz NGIXNRFCZLBLJO-LSDHHAIUSA-N 2 0 281.444 1.587 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001106783293 914296218 /nfs/dbraw/zinc/29/62/18/914296218.db2.gz KZNKBUUSTIGTCK-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP N#Cc1c[nH]c2cc(NC(=[NH2+])NCCCC[NH3+])cnc12 ZINC001167881170 901631776 /nfs/dbraw/zinc/63/17/76/901631776.db2.gz FEGIGAILZCQDRF-UHFFFAOYSA-N 2 0 271.328 1.110 20 30 CDEDRP Cc1cc(NC(=[NH2+])NCCCC[NH3+])cc([N+](=O)[O-])c1C#N ZINC001167883223 901641108 /nfs/dbraw/zinc/64/11/08/901641108.db2.gz DVDNVONIRNWLHK-UHFFFAOYSA-N 2 0 290.327 1.450 20 30 CDEDRP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H]1CC ZINC001087725767 905795255 /nfs/dbraw/zinc/79/52/55/905795255.db2.gz CKXWCTYJCZWRNS-OWCLPIDISA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001088374433 907025680 /nfs/dbraw/zinc/02/56/80/907025680.db2.gz HIRVEJGOTOAUEZ-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189111399 921313907 /nfs/dbraw/zinc/31/39/07/921313907.db2.gz ZVWMCZYIULGRQB-HRCADAONSA-N 2 0 293.455 1.826 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001168320728 909020994 /nfs/dbraw/zinc/02/09/94/909020994.db2.gz MUMRGKORHMVJHY-UHFFFAOYSA-N 2 0 291.439 1.372 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001203432004 909231009 /nfs/dbraw/zinc/23/10/09/909231009.db2.gz YOCVWLVKWQVVER-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001094577376 910670965 /nfs/dbraw/zinc/67/09/65/910670965.db2.gz HWLJOSCKKOGKMN-BFYDXBDKSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC1CC[NH+](CCCOC)CC1 ZINC001172249751 911520517 /nfs/dbraw/zinc/52/05/17/911520517.db2.gz LDAOICIWJADDOB-KRWDZBQOSA-N 2 0 295.471 1.727 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C ZINC001088859895 911990112 /nfs/dbraw/zinc/99/01/12/911990112.db2.gz PKFOJQRWCSVEEJ-XHSDSOJGSA-N 2 0 293.455 1.873 20 30 CDEDRP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236314207 914954576 /nfs/dbraw/zinc/95/45/76/914954576.db2.gz KXCQDZNGSZMQCA-IYBDPMFKSA-N 2 0 255.365 1.990 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@H]1C ZINC001179525210 915859365 /nfs/dbraw/zinc/85/93/65/915859365.db2.gz FHWDRNDCAWANGM-JYJNAYRXSA-N 2 0 293.455 1.709 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001181672768 917273572 /nfs/dbraw/zinc/27/35/72/917273572.db2.gz BWVJSBJNRILWSC-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001183199253 918375070 /nfs/dbraw/zinc/37/50/70/918375070.db2.gz CRALRARFMICBSZ-NVXWUHKLSA-N 2 0 293.455 1.426 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001183843688 918711937 /nfs/dbraw/zinc/71/19/37/918711937.db2.gz DSQKUOQCHCPEFH-CQSZACIVSA-N 2 0 296.374 1.470 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185071989 919409110 /nfs/dbraw/zinc/40/91/10/919409110.db2.gz CPMCOAJCCFTQJI-KGLIPLIRSA-N 2 0 267.417 1.198 20 30 CDEDRP C#CCN1CC[C@@]2(CCC[N@H+]2CC2CC[NH+](C)CC2)C1=O ZINC001272887494 919972480 /nfs/dbraw/zinc/97/24/80/919972480.db2.gz FXIMMTIKWMCVGQ-KRWDZBQOSA-N 2 0 289.423 1.028 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001072981947 936714452 /nfs/dbraw/zinc/71/44/52/936714452.db2.gz WQAQNPSDFIGTOG-OAHLLOKOSA-N 2 0 291.439 1.439 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001166626805 939620342 /nfs/dbraw/zinc/62/03/42/939620342.db2.gz JQVYIBXEEVXHQD-ZDUSSCGKSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191543178 922628021 /nfs/dbraw/zinc/62/80/21/922628021.db2.gz KRZGNIDKKCUMCA-HNNXBMFYSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001099027700 936775092 /nfs/dbraw/zinc/77/50/92/936775092.db2.gz QBCOMKHSHOEBRC-ZOBUZTSGSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192020142 922875378 /nfs/dbraw/zinc/87/53/78/922875378.db2.gz ZTUDBRROBRAWMH-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP C[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)CC[C@H]1C[NH3+] ZINC001205638108 923779141 /nfs/dbraw/zinc/77/91/41/923779141.db2.gz LKAKOJTZVPOXCI-OLZOCXBDSA-N 2 0 258.369 1.760 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001101031887 936953224 /nfs/dbraw/zinc/95/32/24/936953224.db2.gz YUAUGEKIUUCWGN-UHFFFAOYSA-N 2 0 291.439 1.370 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084231904 925196585 /nfs/dbraw/zinc/19/65/85/925196585.db2.gz OPFBVDYNDWUMRQ-OWCLPIDISA-N 2 0 291.439 1.580 20 30 CDEDRP C=CCCC[NH+]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001197818020 925243834 /nfs/dbraw/zinc/24/38/34/925243834.db2.gz UKGGNYLBNLNIPU-INIZCTEOSA-N 2 0 293.455 1.829 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001085332439 925890873 /nfs/dbraw/zinc/89/08/73/925890873.db2.gz YNEPZPSVQHORGF-BZUAXINKSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102059407 937039651 /nfs/dbraw/zinc/03/96/51/937039651.db2.gz NXQGOASPWALNDB-OAGGEKHMSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001201118145 926199985 /nfs/dbraw/zinc/19/99/85/926199985.db2.gz JVEIBEPJGQGXRE-INIZCTEOSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085598638 926201449 /nfs/dbraw/zinc/20/14/49/926201449.db2.gz XKNBDEPMGKLCBM-CVEARBPZSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001201327307 926265004 /nfs/dbraw/zinc/26/50/04/926265004.db2.gz KUKBXDLPAQOUIW-UHFFFAOYSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CCCO1 ZINC001201678813 926367791 /nfs/dbraw/zinc/36/77/91/926367791.db2.gz POACEZBOAKNQLC-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)CCCO1 ZINC001201924192 926432948 /nfs/dbraw/zinc/43/29/48/926432948.db2.gz DZRJLKVBFVFJBP-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]C(C)C)C2)CC1 ZINC001086278159 926929871 /nfs/dbraw/zinc/92/98/71/926929871.db2.gz JSYVJBPIPPNIJK-FZNQNYSPSA-N 2 0 291.439 1.224 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CC)C1 ZINC001111926010 937255066 /nfs/dbraw/zinc/25/50/66/937255066.db2.gz UAPQTPFGCKLKQY-RDJZCZTQSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001115306016 928562763 /nfs/dbraw/zinc/56/27/63/928562763.db2.gz HGMZVUNVABQFSI-JJXSEGSLSA-N 2 0 291.439 1.339 20 30 CDEDRP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001111949043 937258300 /nfs/dbraw/zinc/25/83/00/937258300.db2.gz KTBYABJKDIEBSP-RDJZCZTQSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001108749682 928629478 /nfs/dbraw/zinc/62/94/78/928629478.db2.gz HUQZWXPERJJXIY-ZNMIVQPWSA-N 2 0 291.439 1.483 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001108821185 928659286 /nfs/dbraw/zinc/65/92/86/928659286.db2.gz DGTGHRLDWHUHKS-JYJNAYRXSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC001252499125 928785362 /nfs/dbraw/zinc/78/53/62/928785362.db2.gz WEBQVGILHMISFW-YMAMQOFZSA-N 2 0 270.417 1.260 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134999351 929996158 /nfs/dbraw/zinc/99/61/58/929996158.db2.gz PMMNZJYWPHOJFO-KBPBESRZSA-N 2 0 298.390 1.844 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180650 930085942 /nfs/dbraw/zinc/08/59/42/930085942.db2.gz ITDONQZVWBQHLW-LSDHHAIUSA-N 2 0 293.455 1.757 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135297401 930135043 /nfs/dbraw/zinc/13/50/43/930135043.db2.gz BAPQLSKHGWJUQB-KGLIPLIRSA-N 2 0 281.444 1.777 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170820802 930249740 /nfs/dbraw/zinc/24/97/40/930249740.db2.gz XSHFJHXMKXYWHB-GDBMZVCRSA-N 2 0 291.439 1.226 20 30 CDEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001086744379 930285334 /nfs/dbraw/zinc/28/53/34/930285334.db2.gz OKEKRGPVHJUKQX-LSDHHAIUSA-N 2 0 289.423 1.123 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863727 930518006 /nfs/dbraw/zinc/51/80/06/930518006.db2.gz XZCRAHJZCIUIKP-BZUAXINKSA-N 2 0 293.455 1.615 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135937947 930548832 /nfs/dbraw/zinc/54/88/32/930548832.db2.gz CBAWQYIIXYZGEA-GJZGRUSLSA-N 2 0 293.455 1.921 20 30 CDEDRP N#Cc1cc(C(F)(F)F)cnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170897117 930693967 /nfs/dbraw/zinc/69/39/67/930693967.db2.gz DLHOPMDQESDXDI-SECBINFHSA-N 2 0 273.262 1.408 20 30 CDEDRP Cc1cc(Cl)c(C#N)c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001170899812 930699030 /nfs/dbraw/zinc/69/90/30/930699030.db2.gz XQZJSWCOZYABPU-SNVBAGLBSA-N 2 0 253.737 1.351 20 30 CDEDRP COc1nc(C)c(N[C@@H]([NH3+])CCC[NH3+])c(C)c1C#N ZINC001170899931 930701358 /nfs/dbraw/zinc/70/13/58/930701358.db2.gz NKPDQNDSASUFAJ-LLVKDONJSA-N 2 0 263.345 1.014 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153484694 937447664 /nfs/dbraw/zinc/44/76/64/937447664.db2.gz GWJXMLGPBGXCLO-RBSFLKMASA-N 2 0 279.428 1.177 20 30 CDEDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(C#N)cn1)C2 ZINC001275034227 931639133 /nfs/dbraw/zinc/63/91/33/931639133.db2.gz ISQNVUIMXNKZDI-WBVHZDCISA-N 2 0 299.422 1.021 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001147358548 932481782 /nfs/dbraw/zinc/48/17/82/932481782.db2.gz GLXFCEPYPMEDBM-OAHLLOKOSA-N 2 0 281.444 1.923 20 30 CDEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147834518 932615528 /nfs/dbraw/zinc/61/55/28/932615528.db2.gz LCZGQHSHSJAAGD-GJZGRUSLSA-N 2 0 297.443 1.015 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001171355003 932854461 /nfs/dbraw/zinc/85/44/61/932854461.db2.gz VEWMQPLMLLYZEM-UHFFFAOYSA-N 2 0 296.802 1.610 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)CC[N@@H+](C)CCC)CCCCC1 ZINC001120041504 937776321 /nfs/dbraw/zinc/77/63/21/937776321.db2.gz TYPLEUORSPRPED-UHFFFAOYSA-N 2 0 293.455 1.760 20 30 CDEDRP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CC#CC[NH+](C)C)c1 ZINC001120492817 937803424 /nfs/dbraw/zinc/80/34/24/937803424.db2.gz PMWTUYOUSCACDH-INIZCTEOSA-N 2 0 290.407 1.198 20 30 CDEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001114853750 935036469 /nfs/dbraw/zinc/03/64/69/935036469.db2.gz GQWYMYOZCWOGSA-LJISPDSOSA-N 2 0 279.428 1.339 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001096608068 936193060 /nfs/dbraw/zinc/19/30/60/936193060.db2.gz OWJXGXRKVMWIQV-UGUYLWEFSA-N 2 0 291.439 1.768 20 30 CDEDRP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156200026 938334477 /nfs/dbraw/zinc/33/44/77/938334477.db2.gz GNMCPEKXQJGDTE-CQSZACIVSA-N 2 0 269.433 1.731 20 30 CDEDRP C#C[C@](C)([NH3+])C(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158030879 938576818 /nfs/dbraw/zinc/57/68/18/938576818.db2.gz AEBMAHNJOSGCBE-JKSUJKDBSA-N 2 0 277.412 1.109 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158036689 938577544 /nfs/dbraw/zinc/57/75/44/938577544.db2.gz FLAYJQJHYCCDEV-CVEARBPZSA-N 2 0 293.455 1.923 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001158079556 938580858 /nfs/dbraw/zinc/58/08/58/938580858.db2.gz GWLUOXZOUUMRJQ-UHFFFAOYSA-N 2 0 279.428 1.370 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158428821 938624101 /nfs/dbraw/zinc/62/41/01/938624101.db2.gz VMAONXROWAUCJH-ZIAGYGMSSA-N 2 0 267.417 1.389 20 30 CDEDRP N#Cc1c2c(sc1NC=C1CC[NH2+]CC1)C[NH2+]CC2 ZINC001159159831 938707330 /nfs/dbraw/zinc/70/73/30/938707330.db2.gz QACRIPCJWAUIFF-UHFFFAOYSA-N 2 0 274.393 1.945 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)c1sccc1C[NH+](C)C ZINC001159169590 938707680 /nfs/dbraw/zinc/70/76/80/938707680.db2.gz HQSKPKLRYYSQFD-UHFFFAOYSA-N 2 0 293.436 1.543 20 30 CDEDRP Cc1cc(Cl)nc(N[C@@H]([NH3+])CCC[NH3+])c1C#N ZINC001159780280 938752157 /nfs/dbraw/zinc/75/21/57/938752157.db2.gz WLBYYQUMRTTZTQ-SNVBAGLBSA-N 2 0 253.737 1.351 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001159910667 938759730 /nfs/dbraw/zinc/75/97/30/938759730.db2.gz SLZWXTGHSYANHZ-OAHLLOKOSA-N 2 0 281.444 1.921 20 30 CDEDRP N#Cc1cc2nc(N[C@]3(C[NH3+])C[NH+]4CCC3CC4)ccc2[nH]1 ZINC001160519079 938794375 /nfs/dbraw/zinc/79/43/75/938794375.db2.gz KHHGKVAWAWHLED-MRXNPFEDSA-N 2 0 296.378 1.270 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160866734 938833912 /nfs/dbraw/zinc/83/39/12/938833912.db2.gz BRVDMKQARZEAMJ-LSDHHAIUSA-N 2 0 279.428 1.675 20 30 CDEDRP C#CC[C@H]([NH3+])C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161424512 938902836 /nfs/dbraw/zinc/90/28/36/938902836.db2.gz KCCVYGOQNPUZHA-INIZCTEOSA-N 2 0 285.391 1.118 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001164582644 939495741 /nfs/dbraw/zinc/49/57/41/939495741.db2.gz LUPLPZXIZPPSPD-HUUCEWRRSA-N 2 0 291.439 1.226 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001166736432 939632947 /nfs/dbraw/zinc/63/29/47/939632947.db2.gz LBDVVSDUSAMAGN-UHFFFAOYSA-N 2 0 281.444 1.780 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203359486 939684051 /nfs/dbraw/zinc/68/40/51/939684051.db2.gz SPYCJANUQNRUOH-GJZGRUSLSA-N 2 0 293.455 1.921 20 30 CDEDRP Cc1ccc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c(C#N)c1 ZINC001205241254 939840984 /nfs/dbraw/zinc/84/09/84/939840984.db2.gz SAIYHZKTLADYOA-MRXNPFEDSA-N 2 0 273.380 1.542 20 30 CDEDRP C#CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206164242 939988209 /nfs/dbraw/zinc/98/82/09/939988209.db2.gz JVTKAQNNNFEFHY-JKSUJKDBSA-N 2 0 276.355 1.960 20 30 CDEDRP N#Cc1ccccc1OC1C[NH+](CC2CC[NH2+]CC2)C1 ZINC001207443673 940198205 /nfs/dbraw/zinc/19/82/05/940198205.db2.gz XZWSIUTXSFOIBB-UHFFFAOYSA-N 2 0 271.364 1.621 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207688673 940231160 /nfs/dbraw/zinc/23/11/60/940231160.db2.gz RQYRYHIXVHLGRB-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070294 940282582 /nfs/dbraw/zinc/28/25/82/940282582.db2.gz IPSWZAWKKVCOKT-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCOC(=O)N1CCN(CC2(C)CC[NH+](C)CC2)CC1 ZINC001208112675 940291653 /nfs/dbraw/zinc/29/16/53/940291653.db2.gz WZSSLXSLCLKXBP-UHFFFAOYSA-N 2 0 295.427 1.659 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001208339474 940321356 /nfs/dbraw/zinc/32/13/56/940321356.db2.gz AJLCJVTYKPYIMX-AWEZNQCLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001208591231 940344485 /nfs/dbraw/zinc/34/44/85/940344485.db2.gz SEUXXUWVPPBYQS-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209303735 940458159 /nfs/dbraw/zinc/45/81/59/940458159.db2.gz LNXYESQQISFYNL-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001209631617 940619903 /nfs/dbraw/zinc/61/99/03/940619903.db2.gz FZTHSQUZMKSEHH-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001209634086 940619911 /nfs/dbraw/zinc/61/99/11/940619911.db2.gz ZZNZVARGXGPJDA-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001209660374 940624884 /nfs/dbraw/zinc/62/48/84/940624884.db2.gz QHZPMSUWQDNBBW-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001209950242 940653457 /nfs/dbraw/zinc/65/34/57/940653457.db2.gz DICVULMHIDBUQO-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215540775 940893306 /nfs/dbraw/zinc/89/33/06/940893306.db2.gz PRYZHYMJHXZNFC-RRFJBIMHSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001215999180 940916088 /nfs/dbraw/zinc/91/60/88/940916088.db2.gz TYAMCIRXTYJAFU-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP Cc1c(O[C@@H]2C[NH2+]C[C@H]2C#N)ccc2c1CC[NH2+]C2 ZINC001218199911 941043612 /nfs/dbraw/zinc/04/36/12/941043612.db2.gz HXVOVHRLASTJHL-IUODEOHRSA-N 2 0 257.337 1.131 20 30 CDEDRP N#Cc1c[nH]c2cc(NC(=O)[C@@H]([NH3+])Cc3cnc[nH]3)ccc12 ZINC001219044561 941302130 /nfs/dbraw/zinc/30/21/30/941302130.db2.gz DYZVBIWTPFKKFT-ZDUSSCGKSA-N 2 0 294.318 1.271 20 30 CDEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC1=CC(=O)CCC1 ZINC001219885372 941393716 /nfs/dbraw/zinc/39/37/16/941393716.db2.gz NLWSJWHWZAPUES-AWEZNQCLSA-N 2 0 281.400 1.235 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)CC1CC[NH2+]CC1 ZINC001220868082 941479056 /nfs/dbraw/zinc/47/90/56/941479056.db2.gz ARTIMTXRYQOXRE-AWEZNQCLSA-N 2 0 265.401 1.143 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001225168389 941827671 /nfs/dbraw/zinc/82/76/71/941827671.db2.gz WCXPSTJWIJOGSO-INIZCTEOSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CC[NH2+]CCN1CC[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC001236130747 944410641 /nfs/dbraw/zinc/41/06/41/944410641.db2.gz UFDYZAUGYQJMHM-OAHLLOKOSA-N 2 0 263.360 1.548 20 30 CDEDRP C=CC[NH2+]CCN(Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001236487002 944502072 /nfs/dbraw/zinc/50/20/72/944502072.db2.gz LAIVHDXTINOJMM-INIZCTEOSA-N 2 0 274.412 1.411 20 30 CDEDRP C=CC[NH2+]CCN1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237301032 944721570 /nfs/dbraw/zinc/72/15/70/944721570.db2.gz SSWJENFGGJQDOJ-UHFFFAOYSA-N 2 0 271.408 1.857 20 30 CDEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001258734149 945395573 /nfs/dbraw/zinc/39/55/73/945395573.db2.gz TVQWFFCIGBQZEF-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CCCOC2)CC1 ZINC001254390817 947415834 /nfs/dbraw/zinc/41/58/34/947415834.db2.gz YIZKACSGOLPTMP-KRWDZBQOSA-N 2 0 293.455 1.457 20 30 CDEDRP C=CCN1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)C1=O ZINC001254510396 947472338 /nfs/dbraw/zinc/47/23/38/947472338.db2.gz VLFSIXPTUQYTFH-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP CC(C)(C)OC(=O)N[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001254646625 947568431 /nfs/dbraw/zinc/56/84/31/947568431.db2.gz NQFTUOHPZIAONO-JHJVBQTASA-N 2 0 296.415 1.858 20 30 CDEDRP COC(=O)c1ccc(C(=[NH2+])NC2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC001246306400 948094735 /nfs/dbraw/zinc/09/47/35/948094735.db2.gz VACWNKAUTVAEEU-BVUQATHDSA-N 2 0 289.379 1.708 20 30 CDEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246525146 948227672 /nfs/dbraw/zinc/22/76/72/948227672.db2.gz MNIROHLIEGRXNY-BLLLJJGKSA-N 3 0 274.412 1.794 20 30 CDEDRP CC1(C#N)CCC([N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001246618838 948352712 /nfs/dbraw/zinc/35/27/12/948352712.db2.gz NCXUWQWOKTUTSL-PYBGIAKNSA-N 2 0 276.428 1.485 20 30 CDEDRP O=C1C=C2CN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@H]2S1 ZINC001246693399 948407256 /nfs/dbraw/zinc/40/72/56/948407256.db2.gz JPNQHPQTLINBTL-ZGVCCVRISA-N 2 0 264.394 1.544 20 30 CDEDRP N#Cc1cccc(-c2noc(C[C@@H]([NH3+])CCCC[NH3+])n2)c1 ZINC001248222683 948975744 /nfs/dbraw/zinc/97/57/44/948975744.db2.gz FTGKYNLCLRXBGX-ZDUSSCGKSA-N 2 0 285.351 1.607 20 30 CDEDRP C#CCOC[C@H](O)C[NH2+][C@H]1CC[C@H]([NH+](CC)CC)CC1 ZINC001251906613 950944199 /nfs/dbraw/zinc/94/41/99/950944199.db2.gz IFWQXIOKOSXKIV-BZUAXINKSA-N 2 0 282.428 1.240 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001252482682 951344309 /nfs/dbraw/zinc/34/43/09/951344309.db2.gz NHJHNSYAAIPPQP-XHSDSOJGSA-N 2 0 284.444 1.508 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001491811458 955477951 /nfs/dbraw/zinc/47/79/51/955477951.db2.gz XFDKRKGYGVOIKF-CVEARBPZSA-N 2 0 295.471 1.977 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001366350241 956761520 /nfs/dbraw/zinc/76/15/20/956761520.db2.gz ZDHHYDPLLSPGRA-NWDGAFQWSA-N 2 0 275.824 1.419 20 30 CDEDRP C#CC[NH2+]CC(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC001340032678 962699572 /nfs/dbraw/zinc/69/95/72/962699572.db2.gz DVGRWQKSXPYJQK-CQSZACIVSA-N 2 0 267.417 1.082 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC001341453093 963418849 /nfs/dbraw/zinc/41/88/49/963418849.db2.gz VXSAOFSGSFWDPO-STQMWFEESA-N 2 0 253.390 1.126 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001341665842 963504833 /nfs/dbraw/zinc/50/48/33/963504833.db2.gz RAKISFQLAIQDNH-ZNMIVQPWSA-N 2 0 281.444 1.742 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001341885309 963571258 /nfs/dbraw/zinc/57/12/58/963571258.db2.gz DJXHOYIZWGUTGY-VPTICVGPSA-N 2 0 251.374 1.056 20 30 CDEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)CCc1ccccc1 ZINC001346236618 965003676 /nfs/dbraw/zinc/00/36/76/965003676.db2.gz JPOIHJCTGKZRAQ-MRXNPFEDSA-N 2 0 260.381 1.135 20 30 CDEDRP C=CC[C@H](NCC1CC[NH+](C)CC1)C(=O)OCC ZINC001352023362 967066856 /nfs/dbraw/zinc/06/68/56/967066856.db2.gz VAFDWHZKQZENJG-ZDUSSCGKSA-N 2 0 254.374 1.426 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](CCCOC)CC1 ZINC001353536015 968054780 /nfs/dbraw/zinc/05/47/80/968054780.db2.gz XDXCZDWXPGRRPV-HNNXBMFYSA-N 2 0 297.443 1.287 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001100681853 968940034 /nfs/dbraw/zinc/94/00/34/968940034.db2.gz VQSBCUPJLLLTMJ-UHFFFAOYSA-N 2 0 293.455 1.472 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001100683941 968945407 /nfs/dbraw/zinc/94/54/07/968945407.db2.gz ZGORYXSSQRMSDV-BPCQOVAHSA-N 2 0 287.835 1.564 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001357363078 969575997 /nfs/dbraw/zinc/57/59/97/969575997.db2.gz VWOVGOGJTFSGCH-GXTWGEPZSA-N 2 0 265.401 1.271 20 30 CDEDRP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001569683986 1169965937 /nfs/dbraw/zinc/96/59/37/1169965937.db2.gz VPKSFCUMRNAYPY-HOCLYGCPSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132278866 1163226847 /nfs/dbraw/zinc/22/68/47/1163226847.db2.gz SCTLHRLQNNAUJF-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001132435361 1163291550 /nfs/dbraw/zinc/29/15/50/1163291550.db2.gz CELAJQOIOYYYIQ-HOTGVXAUSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC001574902599 1171043490 /nfs/dbraw/zinc/04/34/90/1171043490.db2.gz DCYSLUPVZGPHAW-KBPBESRZSA-N 2 0 267.417 1.661 20 30 CDEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H]1NCCc2occc21 ZINC001574920847 1171049840 /nfs/dbraw/zinc/04/98/40/1171049840.db2.gz LVCSSOSVLRFPQQ-HNNXBMFYSA-N 2 0 291.395 1.433 20 30 CDEDRP C[N@H+](CCc1cccc(C#N)c1)C[C@]1(O)CCC[NH2+]C1 ZINC001578478243 1171929690 /nfs/dbraw/zinc/92/96/90/1171929690.db2.gz BSSTUMMCXJSSRO-INIZCTEOSA-N 2 0 273.380 1.147 20 30 CDEDRP C=CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000439075097 361793260 /nfs/dbraw/zinc/79/32/60/361793260.db2.gz ZOLHLXBYYFLYCO-GJZGRUSLSA-N 2 0 252.402 1.778 20 30 CDEDRP C=CCOCC[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000591573578 342637374 /nfs/dbraw/zinc/63/73/74/342637374.db2.gz SPQYHBGHILWGDO-ZDUSSCGKSA-N 2 0 284.400 1.100 20 30 CDEDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442800155 362091608 /nfs/dbraw/zinc/09/16/08/362091608.db2.gz YZJMIKJGVKAMNB-MELADBBJSA-N 2 0 253.390 1.625 20 30 CDEDRP CCNC(=[NH2+])NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000083052692 342377376 /nfs/dbraw/zinc/37/73/76/342377376.db2.gz UTJJFBSFFKPLCY-CYBMUJFWSA-N 2 0 262.401 1.821 20 30 CDEDRP CC1CCN(C(=[NH2+])NCCCN2CCC[N@H+](C)CC2)CC1 ZINC000303367757 344882460 /nfs/dbraw/zinc/88/24/60/344882460.db2.gz IEMFGHNLHXCSKG-UHFFFAOYSA-N 2 0 295.475 1.061 20 30 CDEDRP C[NH+]1CCC(CC[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602543307 350123208 /nfs/dbraw/zinc/12/32/08/350123208.db2.gz AIITYJZUWXQSBE-UHFFFAOYSA-N 2 0 258.369 1.775 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1c[nH]nc1C ZINC000264112069 362970265 /nfs/dbraw/zinc/97/02/65/362970265.db2.gz PAYHLDJCTMWXJK-CQSZACIVSA-N 2 0 292.431 1.039 20 30 CDEDRP CC[NH+]=C(NCc1cccnc1-n1ccnc1)N[C@H]1C[C@H]1C ZINC000176386324 366333321 /nfs/dbraw/zinc/33/33/21/366333321.db2.gz YTJPLCDYTDDTMT-OCCSQVGLSA-N 2 0 298.394 1.731 20 30 CDEDRP C[C@H](CCC#N)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000602527703 358828110 /nfs/dbraw/zinc/82/81/10/358828110.db2.gz RSBWPFWZAAGUOU-CYBMUJFWSA-N 2 0 253.390 1.363 20 30 CDEDRP Cc1nccn1CCC[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000290475416 366528701 /nfs/dbraw/zinc/52/87/01/366528701.db2.gz NTWVHARKLHUIHI-UHFFFAOYSA-N 2 0 271.368 1.924 20 30 CDEDRP C=CCOCCC[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000348032485 359782062 /nfs/dbraw/zinc/78/20/62/359782062.db2.gz MDDLEHRKEXSMKO-MRXNPFEDSA-N 2 0 281.444 1.291 20 30 CDEDRP CCN(CCC#N)C(=O)CN(C)C1CC[NH+](C(C)C)CC1 ZINC000337689063 360348550 /nfs/dbraw/zinc/34/85/50/360348550.db2.gz SJPBQCLPJJGCCE-UHFFFAOYSA-N 2 0 294.443 1.553 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000178818627 189148455 /nfs/dbraw/zinc/14/84/55/189148455.db2.gz CFGMMLOADRRZHR-INIZCTEOSA-N 2 0 287.407 1.843 20 30 CDEDRP N#CC1(C[C@H](O)CN(CC[NH3+])Cc2ccccc2)CCC1 ZINC001580038637 1172330011 /nfs/dbraw/zinc/33/00/11/1172330011.db2.gz PMGAUEAKLHOCOJ-INIZCTEOSA-N 2 0 287.407 1.892 20 30 CDEDRP COc1ccccc1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1C ZINC000170909568 365160585 /nfs/dbraw/zinc/16/05/85/365160585.db2.gz WIGHUEAXQVMEBC-CYBMUJFWSA-N 2 0 276.384 1.194 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195291514 375999547 /nfs/dbraw/zinc/99/95/47/375999547.db2.gz KHTWTGPFXOSYQU-MRXNPFEDSA-N 2 0 286.423 1.989 20 30 CDEDRP C=CCNC(=O)[C@@H](C)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000247686447 377165058 /nfs/dbraw/zinc/16/50/58/377165058.db2.gz VATGQBBTCZACAO-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[NH2+]C)CC1 ZINC000417541452 377936703 /nfs/dbraw/zinc/93/67/03/377936703.db2.gz RKBZLOWMVOQBRN-OAHLLOKOSA-N 2 0 294.443 1.420 20 30 CDEDRP C=CCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343930103 379021684 /nfs/dbraw/zinc/02/16/84/379021684.db2.gz XMMXQASTCONGLJ-HZPDHXFCSA-N 2 0 265.445 1.910 20 30 CDEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000104172461 390485792 /nfs/dbraw/zinc/48/57/92/390485792.db2.gz RSGZCBVINOMADF-LBPRGKRZSA-N 2 0 288.395 1.906 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000236685763 390918950 /nfs/dbraw/zinc/91/89/50/390918950.db2.gz AFRNYAMOTFQLQH-GFCCVEGCSA-N 2 0 253.390 1.126 20 30 CDEDRP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000267437716 391194980 /nfs/dbraw/zinc/19/49/80/391194980.db2.gz OEPFEVUBORJASL-HNNXBMFYSA-N 2 0 272.396 1.741 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)[C@@H](C)C[NH3+])C(C)C ZINC000417067385 391341835 /nfs/dbraw/zinc/34/18/35/391341835.db2.gz RDTCSQFFIWROMM-GJZGRUSLSA-N 2 0 296.459 1.674 20 30 CDEDRP C[C@@H]1C[NH+]=C(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)N1 ZINC000262685700 391812835 /nfs/dbraw/zinc/81/28/35/391812835.db2.gz YIFJCTGQSHYDLM-CHWSQXEVSA-N 2 0 292.452 1.897 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(C)C ZINC000649297197 391924389 /nfs/dbraw/zinc/92/43/89/391924389.db2.gz UVERJOQOWOYLJG-QXSJWSMHSA-N 2 0 291.439 1.267 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OC ZINC000069705424 260262526 /nfs/dbraw/zinc/26/25/26/260262526.db2.gz JVJQSHROCSLHRS-CQSZACIVSA-N 2 0 290.411 1.584 20 30 CDEDRP C[C@H]1C[NH+]=C(NCc2ccc(F)c(C[NH+](C)C)c2)N1 ZINC000262635666 262779897 /nfs/dbraw/zinc/77/98/97/262779897.db2.gz GQAPHNLNPMVLLZ-JTQLQIEISA-N 2 0 264.348 1.325 20 30 CDEDRP C[NH+]=C(NC[C@H](C1CC1)[NH+](C)C)N1CCSC(C)(C)C1 ZINC000125523618 264011497 /nfs/dbraw/zinc/01/14/97/264011497.db2.gz VMQVDHCQGICAKG-CYBMUJFWSA-N 2 0 298.500 1.729 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000358792690 266492962 /nfs/dbraw/zinc/49/29/62/266492962.db2.gz WFDYNFYXDCEVQL-UHFFFAOYSA-N 2 0 294.443 1.422 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000171452558 329076170 /nfs/dbraw/zinc/07/61/70/329076170.db2.gz LHEGGKRSIWPYFW-MRXNPFEDSA-N 2 0 289.423 1.028 20 30 CDEDRP C[C@@H]1CCC[C@@](CNC(=[NH2+])N2CCSCC2)([NH+](C)C)C1 ZINC000261976346 329993173 /nfs/dbraw/zinc/99/31/73/329993173.db2.gz GGOQVCDLCOJBJJ-UKRRQHHQSA-N 2 0 298.500 1.860 20 30 CDEDRP C[C@H]1C[NH+]=C(NCC[NH+]2CCC3(CCCCC3)CC2)N1 ZINC000262682487 330026689 /nfs/dbraw/zinc/02/66/89/330026689.db2.gz WUUBYXQPXOAZHO-AWEZNQCLSA-N 2 0 278.444 1.970 20 30 CDEDRP C[NH+]=C(NCC1CC[NH+](C)CC1)N1CCc2ccccc21 ZINC000263260662 330050907 /nfs/dbraw/zinc/05/09/07/330050907.db2.gz SKQDXRYGNHPYDS-UHFFFAOYSA-N 2 0 286.423 1.966 20 30 CDEDRP C=C(C)CN1CCC([NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422979620 330162522 /nfs/dbraw/zinc/16/25/22/330162522.db2.gz NFTJTQNCMRPWHQ-ZFWWWQNUSA-N 2 0 251.418 1.744 20 30 CDEDRP COCC1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC[NH2+]CC1 ZINC000423402316 330196359 /nfs/dbraw/zinc/19/63/59/330196359.db2.gz HAYRWURIIMEXGO-ZIAGYGMSSA-N 2 0 265.401 1.675 20 30 CDEDRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000424085650 330223199 /nfs/dbraw/zinc/22/31/99/330223199.db2.gz ZIDOEYRDUJNIBU-MFKMUULPSA-N 2 0 260.341 1.666 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000424125921 330259108 /nfs/dbraw/zinc/25/91/08/330259108.db2.gz AXGKFRQTLWYEKK-LSDHHAIUSA-N 2 0 292.427 1.484 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000424139300 330278980 /nfs/dbraw/zinc/27/89/80/330278980.db2.gz ADLXGOGTNNLASA-KBPBESRZSA-N 2 0 278.400 1.094 20 30 CDEDRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424139485 330279027 /nfs/dbraw/zinc/27/90/27/330279027.db2.gz ANMCRVVQCOVBKQ-ZIAGYGMSSA-N 2 0 280.416 1.244 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000424144885 330289992 /nfs/dbraw/zinc/28/99/92/330289992.db2.gz MLKFKSXUOIWHBE-GJZGRUSLSA-N 2 0 292.427 1.342 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000490781173 332115680 /nfs/dbraw/zinc/11/56/80/332115680.db2.gz XWKSEONQBMZLPO-HZPDHXFCSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH+](C)CCCNC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000491675938 332281546 /nfs/dbraw/zinc/28/15/46/332281546.db2.gz MYTSRFDOXXXVSU-OAHLLOKOSA-N 2 0 279.428 1.322 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000177045438 333052984 /nfs/dbraw/zinc/05/29/84/333052984.db2.gz JZHMTCRFAHEZLA-ZFWWWQNUSA-N 2 0 289.423 1.073 20 30 CDEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000577099032 335299735 /nfs/dbraw/zinc/29/97/35/335299735.db2.gz SJIKYCWYPKLHIT-HOTGVXAUSA-N 2 0 291.443 1.293 20 30 CDEDRP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001754497674 1159247559 /nfs/dbraw/zinc/24/75/59/1159247559.db2.gz PNGNNAHRUMLDMT-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(Cl)CN1CC=C(CNC(=O)C[N@@H+](C)CCC)CC1 ZINC001755898210 1160641781 /nfs/dbraw/zinc/64/17/81/1160641781.db2.gz CYRAULGGBLJJLS-UHFFFAOYSA-N 2 0 299.846 1.829 20 30 CDEDRP C=CCN1CC[C@@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001272870201 1161425327 /nfs/dbraw/zinc/42/53/27/1161425327.db2.gz KEWXYCSKKWNVGS-QGZVFWFLSA-N 2 0 293.455 1.685 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000764429282 575906508 /nfs/dbraw/zinc/90/65/08/575906508.db2.gz YKYCNVUSBQLRIS-OKILXGFUSA-N 2 0 295.471 1.977 20 30 CDEDRP C[N@H+](Cc1ccccc1)CC(C)(C)CN=NC(N)=[NH2+] ZINC000747624295 576877229 /nfs/dbraw/zinc/87/72/29/576877229.db2.gz LQQCBQANOGXPGN-UHFFFAOYSA-N 2 0 261.373 1.613 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000969956506 612963993 /nfs/dbraw/zinc/96/39/93/612963993.db2.gz XOCAQHXHDOQDSC-CJNGLKHVSA-N 2 0 295.402 1.023 20 30 CDEDRP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000981229265 612973928 /nfs/dbraw/zinc/97/39/28/612973928.db2.gz VASDACMJKQWPCT-GJZGRUSLSA-N 2 0 296.374 1.598 20 30 CDEDRP C#CCC[NH+]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000975045017 613037049 /nfs/dbraw/zinc/03/70/49/613037049.db2.gz YHZFLBRHBGPEMD-CABCVRRESA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942717859 613258362 /nfs/dbraw/zinc/25/83/62/613258362.db2.gz ASQDXXYUXSIJRZ-GJZGRUSLSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942517981 613270117 /nfs/dbraw/zinc/27/01/17/613270117.db2.gz KBAIEOHIGFGANA-CJNGLKHVSA-N 2 0 296.374 1.408 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944917945 613270972 /nfs/dbraw/zinc/27/09/72/613270972.db2.gz FWCSFNSGHQJFPC-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000971778593 613284645 /nfs/dbraw/zinc/28/46/45/613284645.db2.gz ONVIDVQOQRNIFO-ZIAGYGMSSA-N 2 0 267.417 1.435 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000957032031 613501964 /nfs/dbraw/zinc/50/19/64/613501964.db2.gz QBBLFVFYGROPQV-UHFFFAOYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000957325698 613508196 /nfs/dbraw/zinc/50/81/96/613508196.db2.gz UEVXPWDPHXMURQ-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000981666527 613542477 /nfs/dbraw/zinc/54/24/77/613542477.db2.gz VQSDASPEWOKGGJ-HNNXBMFYSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972233986 613611411 /nfs/dbraw/zinc/61/14/11/613611411.db2.gz FESGJTWMUVDJHA-CQSZACIVSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970528188 613669055 /nfs/dbraw/zinc/66/90/55/613669055.db2.gz CRQDEGKLSQUEOS-HOCLYGCPSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC000981848256 613680813 /nfs/dbraw/zinc/68/08/13/613680813.db2.gz KVSZNNNZSMEFOR-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000948241170 613701714 /nfs/dbraw/zinc/70/17/14/613701714.db2.gz KSPFLEGJIVBXKK-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC000942288138 613755957 /nfs/dbraw/zinc/75/59/57/613755957.db2.gz ORPGQDRFDMLSMN-CZUORRHYSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549912 613771943 /nfs/dbraw/zinc/77/19/43/613771943.db2.gz ZRKOGOWXDAZQIW-UONOGXRCSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974607633 613807698 /nfs/dbraw/zinc/80/76/98/613807698.db2.gz VSOWGWBLUWIQCE-MGPQQGTHSA-N 2 0 279.428 1.339 20 30 CDEDRP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974607632 613827567 /nfs/dbraw/zinc/82/75/67/613827567.db2.gz VSOWGWBLUWIQCE-MCIONIFRSA-N 2 0 279.428 1.339 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000970803360 613864989 /nfs/dbraw/zinc/86/49/89/613864989.db2.gz INSCFPSOECOCLU-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CCC[N@@H+](CC)C[C@H]1C ZINC000910277955 628951819 /nfs/dbraw/zinc/95/18/19/628951819.db2.gz BLLFXWNYXPCUQW-CYBMUJFWSA-N 2 0 253.390 1.047 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001753893409 1158487692 /nfs/dbraw/zinc/48/76/92/1158487692.db2.gz AUUKXMBGBNCCLX-CABCVRRESA-N 2 0 291.439 1.226 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H](CC(C)C)n1ccnc1 ZINC001130001220 1162516675 /nfs/dbraw/zinc/51/66/75/1162516675.db2.gz HSAKVQAFWJAQGS-ZDUSSCGKSA-N 2 0 298.818 1.929 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C(C)(C)n1cnc(C)c1 ZINC001130165197 1162560872 /nfs/dbraw/zinc/56/08/72/1162560872.db2.gz RQZCFZWNFIGWPW-ZDUSSCGKSA-N 2 0 292.427 1.987 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130231736 1162577648 /nfs/dbraw/zinc/57/76/48/1162577648.db2.gz FDSSVRVYGYTXIN-UHFFFAOYSA-N 2 0 297.443 1.017 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001130655955 1162687316 /nfs/dbraw/zinc/68/73/16/1162687316.db2.gz BKHMQHRNVVPYFT-UHFFFAOYSA-N 2 0 272.352 1.538 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1CC ZINC001087640374 1160255011 /nfs/dbraw/zinc/25/50/11/1160255011.db2.gz ZNAVKHAQPISXIR-LSDHHAIUSA-N 2 0 291.439 1.770 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001113629676 1162243894 /nfs/dbraw/zinc/24/38/94/1162243894.db2.gz SQQRTESSITWYFY-AWEZNQCLSA-N 2 0 265.401 1.049 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001133890498 1163951731 /nfs/dbraw/zinc/95/17/31/1163951731.db2.gz UBADDYWMCKIZSS-UHFFFAOYSA-N 2 0 289.423 1.686 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134126378 1164061544 /nfs/dbraw/zinc/06/15/44/1164061544.db2.gz NOWXTSIQCOBZJG-SJORKVTESA-N 2 0 299.418 1.061 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134857819 1164108236 /nfs/dbraw/zinc/10/82/36/1164108236.db2.gz KBDWOQWNBOPTLY-LSDHHAIUSA-N 2 0 291.439 1.511 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135743165 1164172866 /nfs/dbraw/zinc/17/28/66/1164172866.db2.gz GDXOSIVHRQXVHD-QWHCGFSZSA-N 2 0 255.406 1.387 20 30 CDEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001114426055 1164961722 /nfs/dbraw/zinc/96/17/22/1164961722.db2.gz JEFVRJMRNVJUBB-NYTXWWLZSA-N 2 0 277.412 1.093 20 30 CDEDRP C=CCCC[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001753227539 1182243473 /nfs/dbraw/zinc/24/34/73/1182243473.db2.gz NKRBQJBGPAWAJO-UHFFFAOYSA-N 2 0 267.417 1.342 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001752424436 1184860225 /nfs/dbraw/zinc/86/02/25/1184860225.db2.gz MMXGPMAOGHMRDW-AWEZNQCLSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001752814954 1184921222 /nfs/dbraw/zinc/92/12/22/1184921222.db2.gz KRRACEGEUBYCIM-HNNXBMFYSA-N 2 0 279.428 1.178 20 30 CDEDRP C=C(C)C[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001753053789 1185024916 /nfs/dbraw/zinc/02/49/16/1185024916.db2.gz UKAVABYTHGUTPZ-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001753598269 1185262398 /nfs/dbraw/zinc/26/23/98/1185262398.db2.gz UVMYEUMQWANSIQ-KRWDZBQOSA-N 2 0 299.418 1.510 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001753726262 1185318268 /nfs/dbraw/zinc/31/82/68/1185318268.db2.gz IIEFDDXMDDHXOL-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)C(C)C ZINC001753843153 1185353873 /nfs/dbraw/zinc/35/38/73/1185353873.db2.gz DYAHYIVAPVXMQQ-RDJZCZTQSA-N 2 0 291.439 1.226 20 30 CDEDRP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001754162065 1185488896 /nfs/dbraw/zinc/48/88/96/1185488896.db2.gz OPSNJZNIMXUGAI-WHJWBVKISA-N 2 0 279.428 1.555 20 30 CDEDRP C=C(C)C[NH2+]C/C=C/CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001754173034 1185491569 /nfs/dbraw/zinc/49/15/69/1185491569.db2.gz FUHOSLNTBAXAFH-ISZGNANSSA-N 2 0 265.401 1.166 20 30 CDEDRP CC#CC[NH2+]C[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001754236899 1185524234 /nfs/dbraw/zinc/52/42/34/1185524234.db2.gz UZZVGMPVKRXXBJ-OAHLLOKOSA-N 2 0 293.455 1.759 20 30 CDEDRP CC#CC[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001754683119 1185703566 /nfs/dbraw/zinc/70/35/66/1185703566.db2.gz HRMIJYZEZDHJBB-INIZCTEOSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001754710576 1185711985 /nfs/dbraw/zinc/71/19/85/1185711985.db2.gz INDLXJCWCCKDBU-ZBFHGGJFSA-N 2 0 279.428 1.342 20 30 CDEDRP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001754722702 1185715341 /nfs/dbraw/zinc/71/53/41/1185715341.db2.gz ATUBHVJNSRPBQZ-RDJZCZTQSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001755573593 1185994665 /nfs/dbraw/zinc/99/46/65/1185994665.db2.gz USSFZAUDPYYTLY-JKSUJKDBSA-N 2 0 291.439 1.319 20 30 CDEDRP C#CC[NH2+]CC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382766724 1187265055 /nfs/dbraw/zinc/26/50/55/1187265055.db2.gz WACJJWZMILJOBI-KRWDZBQOSA-N 2 0 299.418 1.190 20 30 CDEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175262443 1164303326 /nfs/dbraw/zinc/30/33/26/1164303326.db2.gz HCFFYGIUDYUNIC-HUUCEWRRSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001049645400 828836520 /nfs/dbraw/zinc/83/65/20/828836520.db2.gz NGFHBIUQUCUHDN-SOUVJXGZSA-N 2 0 277.412 1.332 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1cnc[nH]1 ZINC001049751624 828823683 /nfs/dbraw/zinc/82/36/83/828823683.db2.gz YPRCUXCEFACNGF-LSDHHAIUSA-N 2 0 286.379 1.041 20 30 CDEDRP CCCNC(=[NH2+])NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000104168586 828823983 /nfs/dbraw/zinc/82/39/83/828823983.db2.gz BMWOEIAXHKNKJY-CHWSQXEVSA-N 2 0 254.422 1.669 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027984187 828830210 /nfs/dbraw/zinc/83/02/10/828830210.db2.gz LIBPJZBBFGJVPA-CQSZACIVSA-N 2 0 296.374 1.470 20 30 CDEDRP C=C(Cl)CN1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001002445602 832292353 /nfs/dbraw/zinc/29/23/53/832292353.db2.gz UKQIQSPOHWOHAG-CYBMUJFWSA-N 2 0 285.819 1.414 20 30 CDEDRP C#CC[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001054905621 833021982 /nfs/dbraw/zinc/02/19/82/833021982.db2.gz HXOPORLQWWUCEX-DOMZBBRYSA-N 2 0 282.347 1.018 20 30 CDEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046322485 833043919 /nfs/dbraw/zinc/04/39/19/833043919.db2.gz BZJSLJKIPYNRJV-HOCLYGCPSA-N 2 0 277.412 1.095 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(NC[C@]1(C)CCCS1)=[NH+]C ZINC000159245729 833070866 /nfs/dbraw/zinc/07/08/66/833070866.db2.gz BLLSJHUPCVQXSA-HIFRSBDPSA-N 2 0 298.500 1.921 20 30 CDEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])N1CCSCC1 ZINC000303984264 833085649 /nfs/dbraw/zinc/08/56/49/833085649.db2.gz RYNXFWSZFYKXOR-NSHDSACASA-N 2 0 258.435 1.080 20 30 CDEDRP C[NH+]1CCN(C2CC[NH+](CCCSCC#N)CC2)CC1 ZINC000879592998 833283369 /nfs/dbraw/zinc/28/33/69/833283369.db2.gz SMSRPNBRQKXEPH-UHFFFAOYSA-N 2 0 296.484 1.345 20 30 CDEDRP CN(C)C(=[NH+]CCCCC[NH+]1CCCC1)N(C)C ZINC000849033358 833321225 /nfs/dbraw/zinc/32/12/25/833321225.db2.gz HXOYEUUFLNDPNP-UHFFFAOYSA-N 2 0 254.422 1.732 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000996664914 828867699 /nfs/dbraw/zinc/86/76/99/828867699.db2.gz NCUJKRAGNQPLKI-HNNXBMFYSA-N 2 0 291.439 1.178 20 30 CDEDRP COCC[N@H+](C)CCC[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000818953307 828876660 /nfs/dbraw/zinc/87/66/60/828876660.db2.gz FZOUJYVRJQJKGY-INIZCTEOSA-N 2 0 291.395 1.150 20 30 CDEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC000989562676 828880582 /nfs/dbraw/zinc/88/05/82/828880582.db2.gz JTMNOZADDOFLNR-UHFFFAOYSA-N 2 0 290.411 1.761 20 30 CDEDRP C=CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992486171 828883275 /nfs/dbraw/zinc/88/32/75/828883275.db2.gz CGJXQIBXYBDXCH-BFYDXBDKSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033098650 833329863 /nfs/dbraw/zinc/32/98/63/833329863.db2.gz ITFJASAAHLLYHW-HRCADAONSA-N 2 0 291.439 1.273 20 30 CDEDRP C=CC[N@@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034487558 828945511 /nfs/dbraw/zinc/94/55/11/828945511.db2.gz OOHRGDAKNSXRQH-AWEZNQCLSA-N 2 0 277.412 1.239 20 30 CDEDRP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001046569962 833365606 /nfs/dbraw/zinc/36/56/06/833365606.db2.gz RXFPZWAVCOKEGK-ZOBUZTSGSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000999405192 829242417 /nfs/dbraw/zinc/24/24/17/829242417.db2.gz COJJRVFQOGQUIK-HSBZDZAISA-N 2 0 265.401 1.236 20 30 CDEDRP C=C(Cl)CN1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033420349 833386561 /nfs/dbraw/zinc/38/65/61/833386561.db2.gz ODCNYRQNRJLMLL-TZMCWYRMSA-N 2 0 299.846 1.613 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999571892 833391451 /nfs/dbraw/zinc/39/14/51/833391451.db2.gz BGEYMRLIFQGZGX-HOTGVXAUSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000996993896 829499952 /nfs/dbraw/zinc/49/99/52/829499952.db2.gz GWBPRZQOFNBGMW-GFCCVEGCSA-N 2 0 299.846 1.661 20 30 CDEDRP C[C@H]1CNC(NN=C2CCC(C)([NH+]3CCCC3)CC2)=[NH+]1 ZINC000884448067 829504674 /nfs/dbraw/zinc/50/46/74/829504674.db2.gz QOMSIQJMCHNFNK-SFVWDYPZSA-N 2 0 277.416 1.708 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3)CC[C@@H]21 ZINC001036909259 829535285 /nfs/dbraw/zinc/53/52/85/829535285.db2.gz BPKCLJUQBOUSGB-CABCVRRESA-N 2 0 288.395 1.382 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccco1 ZINC000303793074 829552099 /nfs/dbraw/zinc/55/20/99/829552099.db2.gz YYRZGFFLHQDVFS-GFCCVEGCSA-N 2 0 264.373 1.211 20 30 CDEDRP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001028591164 829687022 /nfs/dbraw/zinc/68/70/22/829687022.db2.gz FJUJSBHUQVJTRR-HOTGVXAUSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000989078931 829776695 /nfs/dbraw/zinc/77/66/95/829776695.db2.gz VSFNBDPHZLYVTO-JSGCOSHPSA-N 2 0 296.374 1.469 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995918581 829838364 /nfs/dbraw/zinc/83/83/64/829838364.db2.gz WTDGNDIVMUSOCY-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001019633904 829918905 /nfs/dbraw/zinc/91/89/05/829918905.db2.gz BQWXLFFGGPHYPC-WMZOPIPTSA-N 2 0 299.418 1.287 20 30 CDEDRP N#Cc1csc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000093492631 829987997 /nfs/dbraw/zinc/98/79/97/829987997.db2.gz CGNQQRSSBYAGTJ-OLZOCXBDSA-N 2 0 277.393 1.573 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000999203648 829988257 /nfs/dbraw/zinc/98/82/57/829988257.db2.gz CDPSUBPKKJKKJZ-SOUVJXGZSA-N 2 0 279.428 1.483 20 30 CDEDRP C[C@@H]1CCC[C@](C[NH+]=C(N(C)C)N(C)C)([NH+](C)C)C1 ZINC000261998735 830034357 /nfs/dbraw/zinc/03/43/57/830034357.db2.gz OPKGKHZTEDNXGS-HIFRSBDPSA-N 2 0 268.449 1.976 20 30 CDEDRP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001153949 830054717 /nfs/dbraw/zinc/05/47/17/830054717.db2.gz YHRFKZVBGFBZHR-GOEBONIOSA-N 2 0 291.439 1.509 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC=C)C2)CC1 ZINC001033687351 830161360 /nfs/dbraw/zinc/16/13/60/830161360.db2.gz FGMWYXNEKUUUFB-MRXNPFEDSA-N 2 0 289.423 1.050 20 30 CDEDRP CCCCCCCCNC(=[NH2+])NC[C@]1(O)CC[N@H+](C)C1 ZINC000849019047 830209514 /nfs/dbraw/zinc/20/95/14/830209514.db2.gz DDQZUEDRBGBVIA-OAHLLOKOSA-N 2 0 284.448 1.527 20 30 CDEDRP CC#CCN1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001032027638 830225049 /nfs/dbraw/zinc/22/50/49/830225049.db2.gz VYPIMNHZHGUKCM-INIZCTEOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(Cl)CN1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033420347 830308743 /nfs/dbraw/zinc/30/87/43/830308743.db2.gz ODCNYRQNRJLMLL-OCCSQVGLSA-N 2 0 299.846 1.613 20 30 CDEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C ZINC001039343175 833617693 /nfs/dbraw/zinc/61/76/93/833617693.db2.gz KEZLOGPAYUKYQQ-ILXRZTDVSA-N 2 0 277.412 1.332 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014412059 830319947 /nfs/dbraw/zinc/31/99/47/830319947.db2.gz FIPNINVKLCIBKD-UONOGXRCSA-N 2 0 265.401 1.236 20 30 CDEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001034763964 830347664 /nfs/dbraw/zinc/34/76/64/830347664.db2.gz UHEDPXVOILHYBH-WKILWMFISA-N 2 0 291.439 1.369 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999352201 830492941 /nfs/dbraw/zinc/49/29/41/830492941.db2.gz JAJPLALRUBSZJW-HOTGVXAUSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999170150 830497384 /nfs/dbraw/zinc/49/73/84/830497384.db2.gz ZUECQNKNOJLXMO-GPANFISMSA-N 2 0 291.439 1.626 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001022107367 830508790 /nfs/dbraw/zinc/50/87/90/830508790.db2.gz VVDDLUXEFOGPMH-RFQIPJPRSA-N 2 0 299.846 1.706 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001044859024 833659899 /nfs/dbraw/zinc/65/98/99/833659899.db2.gz YWTPYSQVWVAQMI-ZIAGYGMSSA-N 2 0 299.846 1.804 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001020396360 830660281 /nfs/dbraw/zinc/66/02/81/830660281.db2.gz PYXIUQFVYXOYOX-JOCQHMNTSA-N 2 0 270.336 1.371 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001027576138 833649039 /nfs/dbraw/zinc/64/90/39/833649039.db2.gz KYXMYSARYBWBQM-GJZGRUSLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001020288887 830723030 /nfs/dbraw/zinc/72/30/30/830723030.db2.gz MKWLBJHKJVWXTK-VGWMRTNUSA-N 2 0 291.439 1.816 20 30 CDEDRP C#CCN(C)CCC[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000926488878 833795302 /nfs/dbraw/zinc/79/53/02/833795302.db2.gz BHTHSNTVLCXKGP-IRXDYDNUSA-N 2 0 288.439 1.676 20 30 CDEDRP C#CCN1CCC[C@H](NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000923583898 832129070 /nfs/dbraw/zinc/12/90/70/832129070.db2.gz NLABPVIXMGVLAR-VGWMRTNUSA-N 2 0 291.439 1.462 20 30 CDEDRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)CC1(C#N)CCC1)C2 ZINC000886220335 832189120 /nfs/dbraw/zinc/18/91/20/832189120.db2.gz GOOUAGGTHMQODS-RDJZCZTQSA-N 2 0 291.439 1.849 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027885565 832214328 /nfs/dbraw/zinc/21/43/28/832214328.db2.gz GKGWANWBDKWJMQ-JKSUJKDBSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC[NH+](C)CC1 ZINC000886571201 832403216 /nfs/dbraw/zinc/40/32/16/832403216.db2.gz MNRPDWCQOFCEFH-INIZCTEOSA-N 2 0 291.439 1.415 20 30 CDEDRP C#CCN1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000994056559 833868698 /nfs/dbraw/zinc/86/86/98/833868698.db2.gz PZHIMEYZDUBKQU-HZPDHXFCSA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001023446175 833889829 /nfs/dbraw/zinc/88/98/29/833889829.db2.gz LJZXCGLDHJVVIU-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC001027932301 833890564 /nfs/dbraw/zinc/89/05/64/833890564.db2.gz VGYHEQDFFSRFHA-ZIAGYGMSSA-N 2 0 288.395 1.527 20 30 CDEDRP CC(C)NC(=[NH2+])NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000198936858 832831285 /nfs/dbraw/zinc/83/12/85/832831285.db2.gz AZPFUXVQEVBTMD-JSGCOSHPSA-N 2 0 254.422 1.810 20 30 CDEDRP C#CC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071872236 832841889 /nfs/dbraw/zinc/84/18/89/832841889.db2.gz MKAXEPADRWZLCH-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000999022605 832856553 /nfs/dbraw/zinc/85/65/53/832856553.db2.gz CRMVZJSCSZCGCS-UHFFFAOYSA-N 2 0 296.374 1.469 20 30 CDEDRP CNC(NCC[NH+]1CCC2(CCCCC2)CC1)=[NH+]C ZINC000849026474 832988485 /nfs/dbraw/zinc/98/84/85/832988485.db2.gz DJYSSXXRSPDAFN-UHFFFAOYSA-N 2 0 266.433 1.828 20 30 CDEDRP C=CCC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001033423300 833473283 /nfs/dbraw/zinc/47/32/83/833473283.db2.gz MJTYJPFWRAQSSL-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001029004069 833888600 /nfs/dbraw/zinc/88/86/00/833888600.db2.gz SPBGPLHBCRXUIK-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CCN1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014404579 833897732 /nfs/dbraw/zinc/89/77/32/833897732.db2.gz DXEIJUFGGWZCEN-HUUCEWRRSA-N 2 0 277.412 1.073 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000993930498 834026239 /nfs/dbraw/zinc/02/62/39/834026239.db2.gz QHWGHXQSWFYFPX-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001028580217 834332467 /nfs/dbraw/zinc/33/24/67/834332467.db2.gz SNQDWUVVHFBZFV-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001028636352 834404988 /nfs/dbraw/zinc/40/49/88/834404988.db2.gz ACWZDNCXABTRFQ-KBPBESRZSA-N 2 0 288.395 1.070 20 30 CDEDRP CCN(CC[NH+]=C(N(C)C)N(C)C)CCC(F)(F)F ZINC000849022377 834566567 /nfs/dbraw/zinc/56/65/67/834566567.db2.gz UOOCVIJOKQNFIP-UHFFFAOYSA-N 2 0 282.354 1.740 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001054664955 834738182 /nfs/dbraw/zinc/73/81/82/834738182.db2.gz ZDISHGRTOBLYFK-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@H+]1CC=C(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001116616 834835060 /nfs/dbraw/zinc/83/50/60/834835060.db2.gz DMRCJHVOSZNVIW-UHFFFAOYSA-N 2 0 291.439 1.653 20 30 CDEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])N1CCCCCC1 ZINC000305064630 834912327 /nfs/dbraw/zinc/91/23/27/834912327.db2.gz MMGLOVVAZNJBBK-ZDUSSCGKSA-N 2 0 254.422 1.907 20 30 CDEDRP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001001464602 834963568 /nfs/dbraw/zinc/96/35/68/834963568.db2.gz XKOYBRJBOVTMGJ-INIZCTEOSA-N 2 0 289.423 1.242 20 30 CDEDRP CCNC(NCCC[N@@H+]1CCCO[C@H](C)C1)=[NH+]CC ZINC000849022490 835090629 /nfs/dbraw/zinc/09/06/29/835090629.db2.gz DFSACGWAKJHDFT-CYBMUJFWSA-N 2 0 270.421 1.062 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000104169984 835179691 /nfs/dbraw/zinc/17/96/91/835179691.db2.gz NTWNBQQONNIEQY-AWEZNQCLSA-N 2 0 266.433 1.979 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001008539025 835243940 /nfs/dbraw/zinc/24/39/40/835243940.db2.gz JWBYVTXCYAIGMV-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033144130 835254439 /nfs/dbraw/zinc/25/44/39/835254439.db2.gz RVVCPNKCYGDWPI-CVEARBPZSA-N 2 0 293.455 1.683 20 30 CDEDRP C#CC[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001005995992 835265056 /nfs/dbraw/zinc/26/50/56/835265056.db2.gz KOVFYHJECPADMP-CQSZACIVSA-N 2 0 277.412 1.027 20 30 CDEDRP CC(=NNC1=[NH+][C@@H](C)CN1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779787002 835301294 /nfs/dbraw/zinc/30/12/94/835301294.db2.gz SYQBAXDFMOFTHN-BBRMVZONSA-N 2 0 299.422 1.822 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC[C@H](C1CC1)[NH+](C)C ZINC000848994910 835311822 /nfs/dbraw/zinc/31/18/22/835311822.db2.gz NACIPHQCLOKPQD-CYBMUJFWSA-N 2 0 264.373 1.285 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000996977904 835373418 /nfs/dbraw/zinc/37/34/18/835373418.db2.gz LEZZXGLWIQEKNY-CQSZACIVSA-N 2 0 267.417 1.339 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000986459388 835467759 /nfs/dbraw/zinc/46/77/59/835467759.db2.gz BSCCNPRWMGJGIQ-CJNGLKHVSA-N 2 0 296.374 1.469 20 30 CDEDRP N#Cc1ccc(NCC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])nc1 ZINC000925892901 835478129 /nfs/dbraw/zinc/47/81/29/835478129.db2.gz HQODNIFBBMKWQW-CHWSQXEVSA-N 2 0 259.357 1.082 20 30 CDEDRP C#Cc1ccc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000809615835 835480655 /nfs/dbraw/zinc/48/06/55/835480655.db2.gz DYIOVOXFUKIQLT-OAHLLOKOSA-N 2 0 271.408 1.393 20 30 CDEDRP [NH2+]=C(NCCc1ccccc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000303889561 835541755 /nfs/dbraw/zinc/54/17/55/835541755.db2.gz MAVUXIVBBJHOSH-OAHLLOKOSA-N 2 0 286.423 1.618 20 30 CDEDRP COc1cccc(NC(=[NH2+])NCC(C)(C)[NH+](C)C)c1 ZINC000104155019 835617097 /nfs/dbraw/zinc/61/70/97/835617097.db2.gz QTHFSNJRFGIQLA-UHFFFAOYSA-N 2 0 264.373 1.762 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001022070582 835629244 /nfs/dbraw/zinc/62/92/44/835629244.db2.gz XCNGGOBDSDHIOP-HZSPNIEDSA-N 2 0 265.401 1.282 20 30 CDEDRP CC[C@H]1CN(C(NCC[NH2+]C(C)(C)C)=[NH+]C)CCS1 ZINC000261794390 835732406 /nfs/dbraw/zinc/73/24/06/835732406.db2.gz GKFWTRYBRHSKMI-LBPRGKRZSA-N 2 0 286.489 1.777 20 30 CDEDRP CC#CC[C@@H]([NH3+])C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC001574971887 1167643997 /nfs/dbraw/zinc/64/39/97/1167643997.db2.gz JFNLMUNQGKLUMK-LSDHHAIUSA-N 2 0 279.428 1.498 20 30 CDEDRP C[NH+]1CCN(CCC[NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173324656 912424285 /nfs/dbraw/zinc/42/42/85/912424285.db2.gz RPDSHOAZSSHZMG-UHFFFAOYSA-N 2 0 278.444 1.686 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174949422 913411884 /nfs/dbraw/zinc/41/18/84/913411884.db2.gz RDXISXWPNYWLRD-OAHLLOKOSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001106151767 913438920 /nfs/dbraw/zinc/43/89/20/913438920.db2.gz ZRGITBKLGOMFCW-LVQVYYBASA-N 2 0 293.455 1.587 20 30 CDEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175042959 913442389 /nfs/dbraw/zinc/44/23/89/913442389.db2.gz YHRLDOBUTWYYPF-CQSZACIVSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001176231344 914000637 /nfs/dbraw/zinc/00/06/37/914000637.db2.gz UOWOPGMITPWBRJ-OAHLLOKOSA-N 2 0 281.444 1.616 20 30 CDEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001114990250 896648587 /nfs/dbraw/zinc/64/85/87/896648587.db2.gz ZWEXYLQKXKARMG-FXUDXRNXSA-N 2 0 293.455 1.585 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106665504 914116012 /nfs/dbraw/zinc/11/60/12/914116012.db2.gz ZDCOWAAUAXPTOK-OWCLPIDISA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001104676357 898873426 /nfs/dbraw/zinc/87/34/26/898873426.db2.gz GQMCKJOAVTXEPE-OWCLPIDISA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001105014407 899788674 /nfs/dbraw/zinc/78/86/74/899788674.db2.gz OHKFPGZDNGTSRG-HZPDHXFCSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176986243 914415272 /nfs/dbraw/zinc/41/52/72/914415272.db2.gz ITNQIYXZUKQAPD-CYBMUJFWSA-N 2 0 287.835 1.709 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176992512 914421640 /nfs/dbraw/zinc/42/16/40/914421640.db2.gz SAGDTZFHWMRMQS-HNNXBMFYSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001027629613 900690213 /nfs/dbraw/zinc/69/02/13/900690213.db2.gz YYWGXIYAXVTZFF-INIZCTEOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001168135660 907357246 /nfs/dbraw/zinc/35/72/46/907357246.db2.gz BAIPBZFPKZPLCO-ZDUSSCGKSA-N 2 0 299.846 1.567 20 30 CDEDRP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001088579641 908141938 /nfs/dbraw/zinc/14/19/38/908141938.db2.gz UDMAXINJAQOGOT-FXUDXRNXSA-N 2 0 291.439 1.319 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092509998 909440092 /nfs/dbraw/zinc/44/00/92/909440092.db2.gz NFVJJIMOCGDCQY-RBSFLKMASA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092504336 909440442 /nfs/dbraw/zinc/44/04/42/909440442.db2.gz LYXNFHNIHFJWNB-MRVWCRGKSA-N 2 0 299.846 1.517 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001092735027 909500516 /nfs/dbraw/zinc/50/05/16/909500516.db2.gz NHXJLVHGDVPTNZ-OAGGEKHMSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC001076633229 909933802 /nfs/dbraw/zinc/93/38/02/909933802.db2.gz DMFPXBIRPSBBAQ-LSDHHAIUSA-N 2 0 288.395 1.382 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203359056 915768504 /nfs/dbraw/zinc/76/85/04/915768504.db2.gz NHXXDLKTULVROB-KGLIPLIRSA-N 2 0 279.428 1.531 20 30 CDEDRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2cccc(C#N)c2)no1 ZINC001212339328 916044242 /nfs/dbraw/zinc/04/42/42/916044242.db2.gz XSDPGUPHUOTVQD-HNNXBMFYSA-N 2 0 285.351 1.911 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001179972768 916095488 /nfs/dbraw/zinc/09/54/88/916095488.db2.gz WHNPDTBCOXYTED-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCC1 ZINC001180587095 916499387 /nfs/dbraw/zinc/49/93/87/916499387.db2.gz ZYGIFAGKOWLJHG-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001180899485 916710477 /nfs/dbraw/zinc/71/04/77/916710477.db2.gz MVCFOBWZXMELKZ-IIAWOOMASA-N 2 0 279.428 1.341 20 30 CDEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001180898902 916711291 /nfs/dbraw/zinc/71/12/91/916711291.db2.gz GNBWMNRDZNWLBQ-HLLBOEOZSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001182401000 917836868 /nfs/dbraw/zinc/83/68/68/917836868.db2.gz BFOBQRZIKHWAML-GDBMZVCRSA-N 2 0 291.439 1.036 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N[C@H]1C[C@H]2CC[N@H+](C1)[C@@H]2C ZINC001183085775 918277611 /nfs/dbraw/zinc/27/76/11/918277611.db2.gz IQDUCJRSMJOOSV-KFWWJZLASA-N 2 0 277.412 1.237 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001000800259 936540224 /nfs/dbraw/zinc/54/02/24/936540224.db2.gz JTUYBDYVOZDAQQ-HOCLYGCPSA-N 2 0 277.412 1.239 20 30 CDEDRP CCCC#CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001184271251 918962492 /nfs/dbraw/zinc/96/24/92/918962492.db2.gz QWJIJUBULLENCH-UHFFFAOYSA-N 2 0 281.444 1.522 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185087242 919400936 /nfs/dbraw/zinc/40/09/36/919400936.db2.gz WVZHXOYSPRCIEU-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185230414 919487577 /nfs/dbraw/zinc/48/75/77/919487577.db2.gz QUWQIIDOWQGCHP-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001185659726 919698181 /nfs/dbraw/zinc/69/81/81/919698181.db2.gz PJZXJCGDISISGQ-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)n2ccnc2)C1 ZINC001185967884 919833816 /nfs/dbraw/zinc/83/38/16/919833816.db2.gz CTRTXYXRIVCKRY-ZIAGYGMSSA-N 2 0 274.368 1.048 20 30 CDEDRP C#CCCC[NH+]1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001273542407 920572435 /nfs/dbraw/zinc/57/24/35/920572435.db2.gz UUXCBNLUWRPUDY-OAHLLOKOSA-N 2 0 291.439 1.180 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203104025 936830329 /nfs/dbraw/zinc/83/03/29/936830329.db2.gz PKUXXTQKTADCKQ-KBPBESRZSA-N 2 0 291.439 1.367 20 30 CDEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001193601021 923832630 /nfs/dbraw/zinc/83/26/30/923832630.db2.gz QGSORBHVZNOEDX-HNNXBMFYSA-N 2 0 281.444 1.827 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001080329674 924535302 /nfs/dbraw/zinc/53/53/02/924535302.db2.gz KUYQZWRVMBXRPD-FXUDXRNXSA-N 2 0 291.439 1.177 20 30 CDEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001197269865 925106893 /nfs/dbraw/zinc/10/68/93/925106893.db2.gz UEEQVYVQFULBTJ-AWEZNQCLSA-N 2 0 290.411 1.841 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@]2(C)C1 ZINC001101443631 936972096 /nfs/dbraw/zinc/97/20/96/936972096.db2.gz MCJWLPFOKUWEBO-WBVHZDCISA-N 2 0 293.455 1.685 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001084406359 925252419 /nfs/dbraw/zinc/25/24/19/925252419.db2.gz NKFULWNJNSJQKE-BZUAXINKSA-N 2 0 291.439 1.435 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001197899384 925264111 /nfs/dbraw/zinc/26/41/11/925264111.db2.gz WRNGEVOSHBXEGS-UHFFFAOYSA-N 2 0 281.444 1.829 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001084639067 925311503 /nfs/dbraw/zinc/31/15/03/925311503.db2.gz CSDVWGQSCFFGMB-BZUAXINKSA-N 2 0 293.455 1.681 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001085331428 925890800 /nfs/dbraw/zinc/89/08/00/925890800.db2.gz KCGDLFFKZOWPNU-RRFJBIMHSA-N 2 0 279.428 1.674 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001085604031 926208515 /nfs/dbraw/zinc/20/85/15/926208515.db2.gz VLEUXRYAJRIZMZ-OWCLPIDISA-N 2 0 291.439 1.273 20 30 CDEDRP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001085604030 926210006 /nfs/dbraw/zinc/21/00/06/926210006.db2.gz VLEUXRYAJRIZMZ-HRCADAONSA-N 2 0 291.439 1.273 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579040 937065668 /nfs/dbraw/zinc/06/56/68/937065668.db2.gz GBEGXLODAGYCNL-HUUCEWRRSA-N 2 0 279.428 1.342 20 30 CDEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085723621 926331457 /nfs/dbraw/zinc/33/14/57/926331457.db2.gz AGKDPNHJUXVLTE-INIZCTEOSA-N 2 0 296.374 1.504 20 30 CDEDRP C=CCN1CC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085901431 926489569 /nfs/dbraw/zinc/48/95/69/926489569.db2.gz FMDKOGHXGJJSRY-INIZCTEOSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086413615 927094718 /nfs/dbraw/zinc/09/47/18/927094718.db2.gz PAEPYDIDYNERDS-BZUAXINKSA-N 2 0 293.455 1.777 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103756244 937154107 /nfs/dbraw/zinc/15/41/07/937154107.db2.gz YPNYDJPERZIIHH-HZPDHXFCSA-N 2 0 293.455 1.424 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103718774 937152650 /nfs/dbraw/zinc/15/26/50/937152650.db2.gz DTRVMZBTNMXSBC-KFWWJZLASA-N 2 0 279.428 1.198 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110694936 928338023 /nfs/dbraw/zinc/33/80/23/928338023.db2.gz TXZUXFFVAFXFND-WCVJEAGWSA-N 2 0 291.439 1.317 20 30 CDEDRP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](C)C)C2 ZINC001108749987 928629502 /nfs/dbraw/zinc/62/95/02/928629502.db2.gz RICCBGUVSPKGBE-JYJNAYRXSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109402275 928920229 /nfs/dbraw/zinc/92/02/29/928920229.db2.gz LNIZPTXAZKNZCE-UGUYLWEFSA-N 2 0 291.439 1.624 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109688521 929009416 /nfs/dbraw/zinc/00/94/16/929009416.db2.gz TXZUXFFVAFXFND-FXUDXRNXSA-N 2 0 291.439 1.317 20 30 CDEDRP C=C[C@](C)(O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001252557094 929237198 /nfs/dbraw/zinc/23/71/98/929237198.db2.gz HLIGUBFHQKSEMT-AWEZNQCLSA-N 2 0 252.402 1.731 20 30 CDEDRP N#Cc1cc(Nc2cc[nH+]c(N)c2)cc(C2C[NH2+]C2)c1 ZINC001159114370 929671442 /nfs/dbraw/zinc/67/14/42/929671442.db2.gz WQRVESCPKWGZGU-UHFFFAOYSA-N 2 0 265.320 1.966 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)CCC=C)CC1 ZINC001152324326 937353901 /nfs/dbraw/zinc/35/39/01/937353901.db2.gz QJHOUVPJIJBAIH-OAHLLOKOSA-N 2 0 291.439 1.392 20 30 CDEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152391538 937358918 /nfs/dbraw/zinc/35/89/18/937358918.db2.gz CIGAIOOSEBERGW-HUUCEWRRSA-N 2 0 297.443 1.110 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135095349 930049984 /nfs/dbraw/zinc/04/99/84/930049984.db2.gz FIWBGCDFYOXSRH-ZIAGYGMSSA-N 2 0 265.401 1.285 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180647 930087395 /nfs/dbraw/zinc/08/73/95/930087395.db2.gz ITDONQZVWBQHLW-CABCVRRESA-N 2 0 293.455 1.757 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCCCC1 ZINC001115713437 937414871 /nfs/dbraw/zinc/41/48/71/937414871.db2.gz NTBIKRLCCMKPGZ-OAHLLOKOSA-N 2 0 293.455 1.615 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC001115731208 937416901 /nfs/dbraw/zinc/41/69/01/937416901.db2.gz ZUXHWAMBEVFTAN-GJZGRUSLSA-N 2 0 293.455 1.779 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863634 930508356 /nfs/dbraw/zinc/50/83/56/930508356.db2.gz WXJAWGZWGNESDC-RRFJBIMHSA-N 2 0 279.428 1.224 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135996838 930593144 /nfs/dbraw/zinc/59/31/44/930593144.db2.gz WLCLZPPBIIZKIX-CABCVRRESA-N 2 0 281.444 1.615 20 30 CDEDRP C=CCC[C@H](O)C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245983199 930848045 /nfs/dbraw/zinc/84/80/45/930848045.db2.gz ULBXLBHSSGXEDA-KBPBESRZSA-N 2 0 252.402 1.825 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153880076 937479717 /nfs/dbraw/zinc/47/97/17/937479717.db2.gz WQIIYSGIEXXALJ-CVEARBPZSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001091099942 931828046 /nfs/dbraw/zinc/82/80/46/931828046.db2.gz BXBOJWSPNHAPIL-JXQTWKCFSA-N 2 0 265.401 1.141 20 30 CDEDRP C#CCCC[N@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001275977506 932194321 /nfs/dbraw/zinc/19/43/21/932194321.db2.gz AAIMWCOLXFKBEM-UHFFFAOYSA-N 2 0 263.429 1.359 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCn1ccnc1 ZINC001146707063 932286162 /nfs/dbraw/zinc/28/61/62/932286162.db2.gz NPDVCXLQNTZCKW-UONOGXRCSA-N 2 0 276.384 1.169 20 30 CDEDRP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001048512596 936054499 /nfs/dbraw/zinc/05/44/99/936054499.db2.gz ZTZLLZQCXMSHJZ-FZKCQIBNSA-N 2 0 289.423 1.073 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001121246651 937863682 /nfs/dbraw/zinc/86/36/82/937863682.db2.gz QJQWQOUELXMCQB-UKEPKTAJSA-N 2 0 291.439 1.530 20 30 CDEDRP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158856472 938671011 /nfs/dbraw/zinc/67/10/11/938671011.db2.gz IPNZTGXAARVVNZ-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001159628522 938742584 /nfs/dbraw/zinc/74/25/84/938742584.db2.gz LAOPPRWRXRKBQQ-INIZCTEOSA-N 2 0 291.439 1.795 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160826689 938829973 /nfs/dbraw/zinc/82/99/73/938829973.db2.gz MMORGINBGCKJGB-UHFFFAOYSA-N 2 0 265.401 1.144 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161042127 938863290 /nfs/dbraw/zinc/86/32/90/938863290.db2.gz ORIAFCDIAKEWHR-HUUCEWRRSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CCN(C(=O)C[NH2+]CCC[NH3+])C1CCCCC1 ZINC001161248120 938882681 /nfs/dbraw/zinc/88/26/81/938882681.db2.gz QUPOFVAYTPTURV-UHFFFAOYSA-N 2 0 253.390 1.272 20 30 CDEDRP C#CC[N@H+]1CC=C(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001161505020 938907624 /nfs/dbraw/zinc/90/76/24/938907624.db2.gz YKVQDUIXNMXZLQ-UHFFFAOYSA-N 2 0 277.412 1.100 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001161644142 938916906 /nfs/dbraw/zinc/91/69/06/938916906.db2.gz JQDZJHDMSHVMGW-HNNXBMFYSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161879873 938939578 /nfs/dbraw/zinc/93/95/78/938939578.db2.gz XHVUFRHYLWVOBZ-UHFFFAOYSA-N 2 0 291.439 1.797 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001162617864 939103913 /nfs/dbraw/zinc/10/39/13/939103913.db2.gz VVYILPLRTRYGBZ-UHFFFAOYSA-N 2 0 272.352 1.620 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1nccc(C)c1C#N ZINC001163122618 939205164 /nfs/dbraw/zinc/20/51/64/939205164.db2.gz NUMOCMNVHMQAJH-UHFFFAOYSA-N 2 0 274.372 1.540 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166677555 939625512 /nfs/dbraw/zinc/62/55/12/939625512.db2.gz JYCZMXWTZKBTGS-CABCVRRESA-N 2 0 281.444 1.779 20 30 CDEDRP N#Cc1ccc2[nH]cc(C[N@H+]3CCC[C@@](O)(C[NH3+])CC3)c2c1 ZINC001205228021 939838716 /nfs/dbraw/zinc/83/87/16/939838716.db2.gz AEGZHCUIBQQUSV-KRWDZBQOSA-N 2 0 298.390 1.715 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001206061615 939973707 /nfs/dbraw/zinc/97/37/07/939973707.db2.gz NDROMBUSEDKOQQ-UHFFFAOYSA-N 2 0 279.428 1.342 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001206126208 939983797 /nfs/dbraw/zinc/98/37/97/939983797.db2.gz QLCVIUJTGVWATR-UHFFFAOYSA-N 2 0 293.455 1.733 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001206281841 940010725 /nfs/dbraw/zinc/01/07/25/940010725.db2.gz NQHSDAHPZOLRBE-GDBMZVCRSA-N 2 0 291.439 1.036 20 30 CDEDRP C[C@@]1(C[NH3+])CCCCN(Cc2cc(C#N)ccn2)C1 ZINC001206563522 940061282 /nfs/dbraw/zinc/06/12/82/940061282.db2.gz FRJIIIAFRYFNLL-HNNXBMFYSA-N 2 0 258.369 1.904 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001206620680 940072990 /nfs/dbraw/zinc/07/29/90/940072990.db2.gz XLEXKSVJXODDOP-KFWWJZLASA-N 2 0 279.428 1.483 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001206948159 940116627 /nfs/dbraw/zinc/11/66/27/940116627.db2.gz XPOGVBFHWIQKHF-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP N#Cc1ccc(N2CCC[N@H+](CC3CC[NH2+]CC3)CC2)nc1 ZINC001207438714 940196415 /nfs/dbraw/zinc/19/64/15/940196415.db2.gz FGNHXWXRCBAAQW-UHFFFAOYSA-N 2 0 299.422 1.465 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001208423484 940330593 /nfs/dbraw/zinc/33/05/93/940330593.db2.gz LMEUGQJQAXGKEZ-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209276969 940455700 /nfs/dbraw/zinc/45/57/00/940455700.db2.gz FKNHCGHZKUXRJQ-ZDUSSCGKSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001209631616 940620034 /nfs/dbraw/zinc/62/00/34/940620034.db2.gz FZTHSQUZMKSEHH-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP N#Cc1cc(O)ccc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210265797 940677047 /nfs/dbraw/zinc/67/70/47/940677047.db2.gz HTODFLZEPSSISW-UHFFFAOYSA-N 2 0 295.346 1.812 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211089961 940730345 /nfs/dbraw/zinc/73/03/45/940730345.db2.gz DFNFDEXZEHWIOK-HNNXBMFYSA-N 2 0 279.428 1.629 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211369689 940750341 /nfs/dbraw/zinc/75/03/41/940750341.db2.gz NJCBABIIGXUYRP-HUUCEWRRSA-N 2 0 281.444 1.729 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001215994269 940914677 /nfs/dbraw/zinc/91/46/77/940914677.db2.gz YHIJJUBGFASZMA-DGCLKSJQSA-N 2 0 287.835 1.517 20 30 CDEDRP Cc1cc(C#N)c(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)s1 ZINC001218554461 941235589 /nfs/dbraw/zinc/23/55/89/941235589.db2.gz JRUMQNSGNMLCAD-LLVKDONJSA-N 2 0 278.381 1.194 20 30 CDEDRP N#Cc1ccc(F)c(F)c1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001219314690 941329788 /nfs/dbraw/zinc/32/97/88/941329788.db2.gz MCDLWYMVYYAMKE-GFCCVEGCSA-N 2 0 294.305 1.102 20 30 CDEDRP N#Cc1ccc(NC(=O)[C@H]([NH3+])CCC[NH3+])c2cccnc12 ZINC001219466193 941348999 /nfs/dbraw/zinc/34/89/99/941348999.db2.gz YRELUXMHLDFPNJ-GFCCVEGCSA-N 2 0 283.335 1.111 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222053634 941559221 /nfs/dbraw/zinc/55/92/21/941559221.db2.gz VZGINZOCBQERFV-HUUCEWRRSA-N 2 0 279.428 1.435 20 30 CDEDRP N#Cc1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c(F)c1 ZINC001222095060 941563574 /nfs/dbraw/zinc/56/35/74/941563574.db2.gz NUYVFBXYWYYBHK-UHFFFAOYSA-N 2 0 288.370 1.225 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001226876854 942086697 /nfs/dbraw/zinc/08/66/97/942086697.db2.gz IVSUCVGEGKBWRS-BZUAXINKSA-N 2 0 291.439 1.511 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001228457695 942320264 /nfs/dbraw/zinc/32/02/64/942320264.db2.gz YAWOANPKZCEMQM-UHFFFAOYSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228879126 942387796 /nfs/dbraw/zinc/38/77/96/942387796.db2.gz FDDHLFKGCBZTMT-UHFFFAOYSA-N 2 0 253.390 1.095 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001230359976 942612557 /nfs/dbraw/zinc/61/25/57/942612557.db2.gz NQZFBOVQPBMBKI-UHFFFAOYSA-N 2 0 291.439 1.466 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235336099 944125984 /nfs/dbraw/zinc/12/59/84/944125984.db2.gz NJLMVLSSGFEIQS-JKSUJKDBSA-N 2 0 293.455 1.826 20 30 CDEDRP N#Cc1ccc2nc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cn2c1 ZINC001236320836 944468819 /nfs/dbraw/zinc/46/88/19/944468819.db2.gz KNHXAVBEXOIQNR-GASCZTMLSA-N 2 0 295.390 1.637 20 30 CDEDRP C=CC[NH2+]CCN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001236442130 944497578 /nfs/dbraw/zinc/49/75/78/944497578.db2.gz WQDGGONCNZTYIJ-ROUUACIJSA-N 2 0 285.435 1.968 20 30 CDEDRP COC(=O)c1ccc(C(=[NH2+])N[C@H]2CCC[NH2+]CC2)cc1 ZINC001246304762 948096057 /nfs/dbraw/zinc/09/60/57/948096057.db2.gz LIBCHZXQZYAVQL-ZDUSSCGKSA-N 2 0 275.352 1.321 20 30 CDEDRP C[C@@H]1C[C@@H]([NH2+]CCOc2cccc(C#N)c2)CC[NH2+]1 ZINC001246328537 948108669 /nfs/dbraw/zinc/10/86/69/948108669.db2.gz YTRAYNOEOLOBGV-OCCSQVGLSA-N 2 0 259.353 1.667 20 30 CDEDRP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246859411 948484234 /nfs/dbraw/zinc/48/42/34/948484234.db2.gz KQDQPAOZGDSWBV-QIXHYMPYSA-N 2 0 285.391 1.395 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]CCCC[NH+](CC)CC ZINC001252482412 951344731 /nfs/dbraw/zinc/34/47/31/951344731.db2.gz LQIYGZRAKWUQNC-AWEZNQCLSA-N 2 0 258.406 1.262 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001368715394 959073691 /nfs/dbraw/zinc/07/36/91/959073691.db2.gz BQOGUZORHSXUPY-LBPRGKRZSA-N 2 0 287.835 1.708 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC001342144815 963654784 /nfs/dbraw/zinc/65/47/84/963654784.db2.gz MWNVQOURWRKAHS-LSDHHAIUSA-N 2 0 281.444 1.907 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC001353468496 968000618 /nfs/dbraw/zinc/00/06/18/968000618.db2.gz DNBNIIAQNSVHOW-ZIAGYGMSSA-N 2 0 267.417 1.613 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001100669301 968910807 /nfs/dbraw/zinc/91/08/07/968910807.db2.gz SKMJATXJYCUYSZ-UYSNPLJNSA-N 2 0 293.455 1.615 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001374032560 973743129 /nfs/dbraw/zinc/74/31/29/973743129.db2.gz ZSLLGCAHGWGNJT-NSHDSACASA-N 2 0 287.835 1.565 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132376452 1163260627 /nfs/dbraw/zinc/26/06/27/1163260627.db2.gz NLUMZOLYATXAPV-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C[C@H](CO)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000289995668 197555760 /nfs/dbraw/zinc/55/57/60/197555760.db2.gz YUGNFAVVXBPBOQ-UKRRQHHQSA-N 2 0 278.396 1.825 20 30 CDEDRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594438594 342906200 /nfs/dbraw/zinc/90/62/00/342906200.db2.gz KLLQTGCFDLDPPO-LSDHHAIUSA-N 2 0 294.443 1.588 20 30 CDEDRP N#Cc1ccsc1NC(=O)CCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107855554 349714569 /nfs/dbraw/zinc/71/45/69/349714569.db2.gz NALLUFZQXVEFNH-RYUDHWBXSA-N 2 0 290.392 1.100 20 30 CDEDRP CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595504648 343079288 /nfs/dbraw/zinc/07/92/88/343079288.db2.gz LGCFUQSZMZJQMS-INIZCTEOSA-N 2 0 292.427 1.166 20 30 CDEDRP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)CC(C)(C)C#N)CCO1 ZINC000598629122 343848615 /nfs/dbraw/zinc/84/86/15/343848615.db2.gz XNLRVYSPQACEQB-LSDHHAIUSA-N 2 0 297.443 1.330 20 30 CDEDRP N#Cc1ccc(CN2CCC([NH2+][C@H]3C[C@@H](CO)C3)CC2)cc1 ZINC000601140067 349911503 /nfs/dbraw/zinc/91/15/03/349911503.db2.gz QOKMWCIAWXPGDZ-MAEOIBBWSA-N 2 0 299.418 1.883 20 30 CDEDRP CC(C)(O)C[NH+]1CCC(NCC2(C#N)CCC2)CC1 ZINC000602693160 344541574 /nfs/dbraw/zinc/54/15/74/344541574.db2.gz BQOCELRIBDJSRX-UHFFFAOYSA-N 2 0 265.401 1.505 20 30 CDEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(N(C)C)CC1 ZINC000602694755 344542085 /nfs/dbraw/zinc/54/20/85/344542085.db2.gz JAMHTNMFYDZVTD-ZDUSSCGKSA-N 2 0 265.401 1.769 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000352043377 362798678 /nfs/dbraw/zinc/79/86/78/362798678.db2.gz CSGRZOSBLUKHCV-HNNXBMFYSA-N 2 0 251.418 1.664 20 30 CDEDRP COc1ccc(NC(=[NH2+])NC[C@@H](C)N(C)C)cc1 ZINC000264129343 362974501 /nfs/dbraw/zinc/97/45/01/362974501.db2.gz XNLJOMSRPVVTBM-SNVBAGLBSA-N 2 0 250.346 1.372 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C[C@H](C[NH3+])OC)C(C)C ZINC000278336763 359579927 /nfs/dbraw/zinc/57/99/27/359579927.db2.gz XAUYXPVYNBAMRQ-CABCVRRESA-N 2 0 297.443 1.165 20 30 CDEDRP CC#CC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000157922630 361050478 /nfs/dbraw/zinc/05/04/78/361050478.db2.gz BOHPFAYKXYIKCY-GASCZTMLSA-N 2 0 264.413 1.831 20 30 CDEDRP C=CCN(Cc1ccccc1F)C[C@](C)(O)C[NH2+]C ZINC000566351473 370691809 /nfs/dbraw/zinc/69/18/09/370691809.db2.gz KPFVGGCNSVSHBE-OAHLLOKOSA-N 2 0 266.360 1.784 20 30 CDEDRP C[C@H]1CN(Cc2cccc(CNC(=[NH2+])N(C)C)c2)CCO1 ZINC000170910731 365160769 /nfs/dbraw/zinc/16/07/69/365160769.db2.gz DMPJQHNHWLFATD-ZDUSSCGKSA-N 2 0 290.411 1.284 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@H]2C(C)C)CC1 ZINC000529304944 368071990 /nfs/dbraw/zinc/07/19/90/368071990.db2.gz GSVADUIEHMOPRA-HNNXBMFYSA-N 2 0 294.443 1.276 20 30 CDEDRP C[C@@H]1C[N@H+](CCCCC#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362704692 369112144 /nfs/dbraw/zinc/11/21/44/369112144.db2.gz VEZWIJGXUFBSSW-HZPDHXFCSA-N 2 0 278.444 1.638 20 30 CDEDRP C=CCNC(=O)[C@H](C)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860815 369470911 /nfs/dbraw/zinc/47/09/11/369470911.db2.gz XLXGNTBBDZRWTI-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCN1CCC([NH2+]C[C@](C)(O)C(F)(F)F)CC1 ZINC000564843722 370274520 /nfs/dbraw/zinc/27/45/20/370274520.db2.gz DODBVGBZQWPSNA-NSHDSACASA-N 2 0 266.307 1.540 20 30 CDEDRP C=CCCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180946146 372451093 /nfs/dbraw/zinc/45/10/93/372451093.db2.gz GCTXLPVIDGTHNC-UHFFFAOYSA-N 2 0 253.434 1.910 20 30 CDEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000248885346 374068763 /nfs/dbraw/zinc/06/87/63/374068763.db2.gz LZGYCOGNLDIDKQ-ZACQAIPSSA-N 2 0 292.471 1.932 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N(CCC)[C@@H]2CC[NH2+]C2)CC1 ZINC000417534269 377875927 /nfs/dbraw/zinc/87/59/27/377875927.db2.gz VVVGGMAUDLAIRS-OAHLLOKOSA-N 2 0 294.443 1.420 20 30 CDEDRP C=CCOCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000339045598 391246678 /nfs/dbraw/zinc/24/66/78/391246678.db2.gz XAOAXEJKJJKUSX-QLFBSQMISA-N 2 0 268.401 1.373 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[NH2+]CC1)C(C)C ZINC000417071422 391340193 /nfs/dbraw/zinc/34/01/93/391340193.db2.gz WALWAGGKXQWUSA-HNNXBMFYSA-N 2 0 294.443 1.300 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)CC[NH3+])C(C)C ZINC000417058148 391341169 /nfs/dbraw/zinc/34/11/69/391341169.db2.gz DRDMWJYYLIDZBP-AWEZNQCLSA-N 2 0 282.432 1.285 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647797094 391649548 /nfs/dbraw/zinc/64/95/48/391649548.db2.gz YVWXBWQRIFUWNS-GCSSGZNBSA-N 2 0 264.413 1.945 20 30 CDEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262562747 391796580 /nfs/dbraw/zinc/79/65/80/391796580.db2.gz WVEMVZLJFSGIKI-JSGCOSHPSA-N 2 0 288.395 1.366 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCC(C)(C)N2CCc3ccccc3C2)N1 ZINC000262678703 391811189 /nfs/dbraw/zinc/81/11/89/391811189.db2.gz VBQLLTICQDEBBO-CYBMUJFWSA-N 2 0 286.423 1.761 20 30 CDEDRP C[NH+]=C(NCc1cccn1C)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262771799 391819862 /nfs/dbraw/zinc/81/98/62/391819862.db2.gz IACBEDNVHYNOFW-HNNXBMFYSA-N 2 0 287.411 1.047 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C(C)C ZINC000649297071 391924402 /nfs/dbraw/zinc/92/44/02/391924402.db2.gz DRQGJXMMEMZMCR-WCVJEAGWSA-N 2 0 291.439 1.552 20 30 CDEDRP C=CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)COC ZINC000661241473 413913243 /nfs/dbraw/zinc/91/32/43/413913243.db2.gz YVPLWVIEPJQXKQ-QGZVFWFLSA-N 2 0 297.487 1.925 20 30 CDEDRP C=CCCn1cc(C[NH2+]CCCC[NH+](C)C)nn1 ZINC000657335098 414190113 /nfs/dbraw/zinc/19/01/13/414190113.db2.gz LJOATDNJXFNQEA-UHFFFAOYSA-N 2 0 251.378 1.286 20 30 CDEDRP C=C(C)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368823998 267208124 /nfs/dbraw/zinc/20/81/24/267208124.db2.gz OSTBYSBFOYLMJV-UHFFFAOYSA-N 2 0 265.445 1.912 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ncccc1C ZINC000267395166 328177997 /nfs/dbraw/zinc/17/79/97/328177997.db2.gz DWDZDRFZZVFWAG-CYBMUJFWSA-N 2 0 275.400 1.279 20 30 CDEDRP C[C@H]1CCC[C@@](CNC2=[NH+]CCN2C)([NH+](C)C)C1 ZINC000261588684 329972061 /nfs/dbraw/zinc/97/20/61/329972061.db2.gz VVYIHYKGKFJPKZ-GXTWGEPZSA-N 2 0 252.406 1.388 20 30 CDEDRP CSC1(CNC(=[NH2+])NCC2CCC2)CC[NH+](C)CC1 ZINC000262340295 330007068 /nfs/dbraw/zinc/00/70/68/330007068.db2.gz WZVYJCDFDPYZLN-UHFFFAOYSA-N 2 0 284.473 1.518 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(C)CCCC[C@H]1O ZINC000262430828 330010296 /nfs/dbraw/zinc/01/02/96/330010296.db2.gz OIIDFVLGJFDGNM-IIAWOOMASA-N 2 0 296.459 1.316 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)N1 ZINC000262648903 330024433 /nfs/dbraw/zinc/02/44/33/330024433.db2.gz JZMNFELCVVFBKU-NWDGAFQWSA-N 2 0 252.406 1.434 20 30 CDEDRP C=C(C)C[NH+]1CCC(N[C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422981196 330162403 /nfs/dbraw/zinc/16/24/03/330162403.db2.gz SFKRWVABJAXOFQ-HIFRSBDPSA-N 2 0 251.418 1.757 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000424056773 330218477 /nfs/dbraw/zinc/21/84/77/330218477.db2.gz HWUBAUYHDVXUGT-LBPRGKRZSA-N 2 0 266.389 1.175 20 30 CDEDRP CCC[NH+]1CCC(CNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424158584 330305559 /nfs/dbraw/zinc/30/55/59/330305559.db2.gz RHQKBUNOSDXQDW-CQSZACIVSA-N 2 0 280.416 1.246 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000424177149 330317593 /nfs/dbraw/zinc/31/75/93/330317593.db2.gz POSVNEANDRXGTL-ZDUSSCGKSA-N 2 0 288.351 1.128 20 30 CDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000424298866 330336713 /nfs/dbraw/zinc/33/67/13/330336713.db2.gz UEWDDVLCHCZZAB-QMIVOQANSA-N 2 0 252.402 1.896 20 30 CDEDRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442782190 330782667 /nfs/dbraw/zinc/78/26/67/330782667.db2.gz QRQFWXBONDBXQK-ZBFHGGJFSA-N 2 0 299.422 1.615 20 30 CDEDRP C=CC[C@H](CO)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459460170 331282500 /nfs/dbraw/zinc/28/25/00/331282500.db2.gz IWCSRVWFPHLFCQ-AWEZNQCLSA-N 2 0 275.396 1.825 20 30 CDEDRP C#CC[NH+](C)CCCNC(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000491643442 332262256 /nfs/dbraw/zinc/26/22/56/332262256.db2.gz FTSNMNDSVNYPSW-GJZGRUSLSA-N 2 0 294.443 1.066 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]([NH3+])CC)C(C)C ZINC000130347685 333838657 /nfs/dbraw/zinc/83/86/57/333838657.db2.gz BGLHKJNQDVVQFI-KGLIPLIRSA-N 2 0 267.417 1.539 20 30 CDEDRP C[C@H]1C[NH+]=C(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)N1 ZINC000261540830 334192019 /nfs/dbraw/zinc/19/20/19/334192019.db2.gz FIBXWUXVAANKRT-ZFWWWQNUSA-N 2 0 272.396 1.446 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001270293224 1160100988 /nfs/dbraw/zinc/10/09/88/1160100988.db2.gz LMUKWYJPNNKDHR-HUUCEWRRSA-N 2 0 281.444 1.729 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001755582779 1160227230 /nfs/dbraw/zinc/22/72/30/1160227230.db2.gz SGWDGSGXVBJXPR-OLZOCXBDSA-N 2 0 253.390 1.093 20 30 CDEDRP C=CC[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001753007348 1184992124 /nfs/dbraw/zinc/99/21/24/1184992124.db2.gz KLLIDTSXZVGRQE-LBPRGKRZSA-N 2 0 253.390 1.141 20 30 CDEDRP C=CCCC[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001753133975 1185079358 /nfs/dbraw/zinc/07/93/58/1185079358.db2.gz SCLVCRGDNWGLBV-CQSZACIVSA-N 2 0 267.417 1.342 20 30 CDEDRP CSC1(C[NH2+]Cc2cc(C#N)n(C)c2)CC[NH+](C)CC1 ZINC000353193051 525332973 /nfs/dbraw/zinc/33/29/73/525332973.db2.gz NRLDURNNEPJBQO-UHFFFAOYSA-N 2 0 292.452 1.814 20 30 CDEDRP C#CCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000766941806 575103426 /nfs/dbraw/zinc/10/34/26/575103426.db2.gz RXPKCQONEHLRCW-HZPDHXFCSA-N 2 0 263.429 1.358 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000763970947 576769549 /nfs/dbraw/zinc/76/95/49/576769549.db2.gz JIGBQUOHOKTAJZ-UHFFFAOYSA-N 2 0 289.423 1.743 20 30 CDEDRP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974604088 613038193 /nfs/dbraw/zinc/03/81/93/613038193.db2.gz FCQOTCJWRPMUPK-KFWWJZLASA-N 2 0 291.439 1.177 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000972154948 613083973 /nfs/dbraw/zinc/08/39/73/613083973.db2.gz RCHARRQUWTVNLG-JKSUJKDBSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(C)C)C2)CC1 ZINC000970789400 613129054 /nfs/dbraw/zinc/12/90/54/613129054.db2.gz ZTRUDQJUFYEAOB-MRXNPFEDSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000948554542 613178876 /nfs/dbraw/zinc/17/88/76/613178876.db2.gz XDYXKQZUDUSECG-JKSUJKDBSA-N 2 0 291.439 1.417 20 30 CDEDRP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000981958671 613253607 /nfs/dbraw/zinc/25/36/07/613253607.db2.gz HWGKBBRYFKLCCL-JKSUJKDBSA-N 2 0 293.455 1.685 20 30 CDEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000972330430 613283472 /nfs/dbraw/zinc/28/34/72/613283472.db2.gz GFTGDJVPWQQUHL-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000981387805 613310247 /nfs/dbraw/zinc/31/02/47/613310247.db2.gz SMGIKTROFBXPFO-HNNXBMFYSA-N 2 0 281.444 1.683 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000960174652 613345266 /nfs/dbraw/zinc/34/52/66/613345266.db2.gz KNHNEUXLNQZSMX-QXSJWSMHSA-N 2 0 291.439 1.483 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000890880400 617344638 /nfs/dbraw/zinc/34/46/38/617344638.db2.gz DWWZNOXSDMYIKV-UHFFFAOYSA-N 2 0 255.406 1.150 20 30 CDEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000968780397 613546196 /nfs/dbraw/zinc/54/61/96/613546196.db2.gz FEAAUIFMHMPFFW-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCCN2C)C(C)(C)C1 ZINC000972859409 613554583 /nfs/dbraw/zinc/55/45/83/613554583.db2.gz IFPUXFSQIHQMIT-KGLIPLIRSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC000947498701 613780259 /nfs/dbraw/zinc/78/02/59/613780259.db2.gz XUSJNEVQZYUPEH-GJZGRUSLSA-N 2 0 291.439 1.770 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC000946890424 613832837 /nfs/dbraw/zinc/83/28/37/613832837.db2.gz WRXZHGZUPWUQNA-OWCLPIDISA-N 2 0 291.439 1.295 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC)[C@@H]2CC[NH2+]C2)CC1 ZINC000891520212 617458412 /nfs/dbraw/zinc/45/84/12/617458412.db2.gz GGTIFCNFANSERD-OAHLLOKOSA-N 2 0 294.443 1.420 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000911833605 629564050 /nfs/dbraw/zinc/56/40/50/629564050.db2.gz YUJUVNWQTKYJSE-GXTWGEPZSA-N 2 0 255.406 1.550 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130300849 1162595762 /nfs/dbraw/zinc/59/57/62/1162595762.db2.gz WDABMYIDOXFBNI-CYBMUJFWSA-N 2 0 253.390 1.143 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130424969 1162622956 /nfs/dbraw/zinc/62/29/56/1162622956.db2.gz JFJOFFYGYDFXHS-UHFFFAOYSA-N 2 0 255.406 1.389 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001755721416 1160491839 /nfs/dbraw/zinc/49/18/39/1160491839.db2.gz ABALFPKOCQRTHA-GJZGRUSLSA-N 2 0 279.428 1.319 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001088899333 1161038793 /nfs/dbraw/zinc/03/87/93/1161038793.db2.gz ZBFMSRFIJFHLBG-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132509496 1163341637 /nfs/dbraw/zinc/34/16/37/1163341637.db2.gz WBZOUFRPDXRSIV-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132849036 1163493968 /nfs/dbraw/zinc/49/39/68/1163493968.db2.gz ZLJRSBRWRBHOFF-CABCVRRESA-N 2 0 297.443 1.156 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631379 1167269273 /nfs/dbraw/zinc/26/92/73/1167269273.db2.gz PFQGTRXEVDNFLV-CQSZACIVSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC001574605198 1170995816 /nfs/dbraw/zinc/99/58/16/1170995816.db2.gz YQXGHLAIPNXNBU-MRXNPFEDSA-N 2 0 287.407 1.018 20 30 CDEDRP C=CC[N@H+](CC)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001753084734 1185049359 /nfs/dbraw/zinc/04/93/59/1185049359.db2.gz BEKCGPNGZMSBTF-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001753156035 1185091192 /nfs/dbraw/zinc/09/11/92/1185091192.db2.gz VFECMIAKWMTDDL-OAHLLOKOSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH2+][C@H](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001753278554 1185139939 /nfs/dbraw/zinc/13/99/39/1185139939.db2.gz RJCGVFMSOKXWDZ-CQSZACIVSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001753766415 1185330137 /nfs/dbraw/zinc/33/01/37/1185330137.db2.gz JKYGAEZOJVPDDR-LSDHHAIUSA-N 2 0 281.444 1.731 20 30 CDEDRP C#CC[NH2+]CC[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001754025219 1185430221 /nfs/dbraw/zinc/43/02/21/1185430221.db2.gz HDVPVMVAIOOPAI-AWEZNQCLSA-N 2 0 287.407 1.479 20 30 CDEDRP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001754325832 1185578435 /nfs/dbraw/zinc/57/84/35/1185578435.db2.gz WUIINORTEBCSTK-LSDHHAIUSA-N 2 0 281.444 1.731 20 30 CDEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001754656937 1185693921 /nfs/dbraw/zinc/69/39/21/1185693921.db2.gz XKIKKIKIWQNWPB-HOTGVXAUSA-N 2 0 291.439 1.226 20 30 CDEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001755386848 1185937219 /nfs/dbraw/zinc/93/72/19/1185937219.db2.gz WFZWVUDEDSBJRE-GJZGRUSLSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001755510867 1185976789 /nfs/dbraw/zinc/97/67/89/1185976789.db2.gz GJALTFJOOYRJQY-AWEZNQCLSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001755603110 1186007994 /nfs/dbraw/zinc/00/79/94/1186007994.db2.gz YSNNKCPFCFBUIR-GJZGRUSLSA-N 2 0 281.444 1.731 20 30 CDEDRP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001755600954 1186008524 /nfs/dbraw/zinc/00/85/24/1186008524.db2.gz IAFKUFKSUBXUSA-ILXRZTDVSA-N 2 0 279.428 1.177 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135743164 1164172967 /nfs/dbraw/zinc/17/29/67/1164172967.db2.gz GDXOSIVHRQXVHD-OLZOCXBDSA-N 2 0 255.406 1.387 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001049895950 837766150 /nfs/dbraw/zinc/76/61/50/837766150.db2.gz LARRIJQOGUUZMC-HRCADAONSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001015002351 837806643 /nfs/dbraw/zinc/80/66/43/837806643.db2.gz ALPWRHFCZOTHGZ-QWHCGFSZSA-N 2 0 288.395 1.200 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001027434021 835845416 /nfs/dbraw/zinc/84/54/16/835845416.db2.gz IGIUKLYPNSGYNG-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001008532441 835907768 /nfs/dbraw/zinc/90/77/68/835907768.db2.gz NRIFEBDDKPNDAM-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997865597 835951182 /nfs/dbraw/zinc/95/11/82/835951182.db2.gz GCSBOVYQKHPPBG-HOCLYGCPSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001049527064 836013605 /nfs/dbraw/zinc/01/36/05/836013605.db2.gz ZSOWDKOXBDWIPG-BZUAXINKSA-N 2 0 291.439 1.578 20 30 CDEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992156783 836129151 /nfs/dbraw/zinc/12/91/51/836129151.db2.gz XLLHGQVNMPBECT-DOTOQJQBSA-N 2 0 291.439 1.627 20 30 CDEDRP C[NH+](C)CC1(CNC(=[NH2+])NC(C)(C)C)CCCC1 ZINC000305819748 836159708 /nfs/dbraw/zinc/15/97/08/836159708.db2.gz OCWZWVAKAHLASG-UHFFFAOYSA-N 2 0 254.422 1.811 20 30 CDEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015796959 836182991 /nfs/dbraw/zinc/18/29/91/836182991.db2.gz UNRHZHZLAXQKKQ-HOTGVXAUSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001032628748 836315254 /nfs/dbraw/zinc/31/52/54/836315254.db2.gz DYMLHRSRKDGASR-GJZGRUSLSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999599194 836340685 /nfs/dbraw/zinc/34/06/85/836340685.db2.gz XFSOOHHPGBOSBE-AWEZNQCLSA-N 2 0 277.412 1.381 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001054910413 836425931 /nfs/dbraw/zinc/42/59/31/836425931.db2.gz ZVKQGXPLKHATHN-BBRMVZONSA-N 2 0 298.390 1.961 20 30 CDEDRP CC[N@@H+]1CC[C@H]([NH2+]CCNc2ccc(C#N)cn2)[C@H](C)C1 ZINC000927166100 836494441 /nfs/dbraw/zinc/49/44/41/836494441.db2.gz UBGBRNDVBAQTJX-HIFRSBDPSA-N 2 0 287.411 1.685 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001031772376 836659378 /nfs/dbraw/zinc/65/93/78/836659378.db2.gz RWCHWJKNJNZGHM-CQSZACIVSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027885563 836671949 /nfs/dbraw/zinc/67/19/49/836671949.db2.gz GKGWANWBDKWJMQ-HOTGVXAUSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015596508 836700321 /nfs/dbraw/zinc/70/03/21/836700321.db2.gz CDICVVOGGYRHTL-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCO[C@H](C)C1 ZINC000261999262 836850467 /nfs/dbraw/zinc/85/04/67/836850467.db2.gz PARVPVRQSXGELU-HZSPNIEDSA-N 2 0 282.432 1.190 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001033777798 836852129 /nfs/dbraw/zinc/85/21/29/836852129.db2.gz XBLXNSJGQHQTJH-LSDHHAIUSA-N 2 0 277.412 1.027 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034492122 836991923 /nfs/dbraw/zinc/99/19/23/836991923.db2.gz YJZCIIORWQNHSV-HNNXBMFYSA-N 2 0 289.423 1.076 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001032405566 837019829 /nfs/dbraw/zinc/01/98/29/837019829.db2.gz JDLPQWMTFFJCGI-HRCADAONSA-N 2 0 289.423 1.189 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001000378579 837043355 /nfs/dbraw/zinc/04/33/55/837043355.db2.gz OHBHLYUWTUGIDN-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999972598 837050795 /nfs/dbraw/zinc/05/07/95/837050795.db2.gz HAVGCVLXTJYSTH-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015796960 837224308 /nfs/dbraw/zinc/22/43/08/837224308.db2.gz UNRHZHZLAXQKKQ-HZPDHXFCSA-N 2 0 291.439 1.463 20 30 CDEDRP C[C@@H]1CCCC[N@@H+]1CCCNC(=[NH2+])N(C)C1CC1 ZINC000305840879 837290616 /nfs/dbraw/zinc/29/06/16/837290616.db2.gz ZCVGGRDQTNVDAX-GFCCVEGCSA-N 2 0 252.406 1.660 20 30 CDEDRP CN(C)C(=[NH+]CC(C)(C)[NH+]1CCCCC1)N(C)C ZINC000262237569 837292043 /nfs/dbraw/zinc/29/20/43/837292043.db2.gz HLMUXAQIZUMKPB-UHFFFAOYSA-N 2 0 254.422 1.730 20 30 CDEDRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000819366683 837358012 /nfs/dbraw/zinc/35/80/12/837358012.db2.gz SHLDVNWQLDHTEY-WBVHZDCISA-N 2 0 287.407 1.913 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001041404396 837857270 /nfs/dbraw/zinc/85/72/70/837857270.db2.gz SWVMTGLFKSZNBK-WBVHZDCISA-N 2 0 293.455 1.827 20 30 CDEDRP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033080570 837970336 /nfs/dbraw/zinc/97/03/36/837970336.db2.gz FSCHYQPJKWBMDQ-JKSUJKDBSA-N 2 0 291.439 1.415 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015898771 838063794 /nfs/dbraw/zinc/06/37/94/838063794.db2.gz IPXDSGRJDQFAKJ-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP CCC(CC)[C@H](CNC(=[NH2+])N[C@H](C)COC)[NH+](C)C ZINC000303778941 838745647 /nfs/dbraw/zinc/74/56/47/838745647.db2.gz KDHQIHXNHUGXJT-YPMHNXCESA-N 2 0 272.437 1.292 20 30 CDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(C[NH3+])cc1)C2 ZINC000884253458 838819623 /nfs/dbraw/zinc/81/96/23/838819623.db2.gz KSUZAMJXEAXFLS-MFOWVQHXSA-N 2 0 284.363 1.223 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=C)C)C1 ZINC001028601486 838876538 /nfs/dbraw/zinc/87/65/38/838876538.db2.gz PVYAPLVKCDDEPX-HOTGVXAUSA-N 2 0 289.423 1.098 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCC(C)(C)[NH+]1CCCCC1 ZINC000303773206 838975948 /nfs/dbraw/zinc/97/59/48/838975948.db2.gz FGKIDKLVUXTKRN-LBPRGKRZSA-N 2 0 270.421 1.190 20 30 CDEDRP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845911 839039879 /nfs/dbraw/zinc/03/98/79/839039879.db2.gz TUQOVLQYDCRRBJ-CVEARBPZSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034216202 839048251 /nfs/dbraw/zinc/04/82/51/839048251.db2.gz FOTLYWDPAMCYQQ-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000304989637 839078868 /nfs/dbraw/zinc/07/88/68/839078868.db2.gz COIZGJODNASBBS-STQMWFEESA-N 2 0 254.422 1.667 20 30 CDEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001041678188 839139506 /nfs/dbraw/zinc/13/95/06/839139506.db2.gz HCLZMBPNVLWILU-NVXWUHKLSA-N 2 0 291.439 1.439 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@H]1CC ZINC001037936178 839227541 /nfs/dbraw/zinc/22/75/41/839227541.db2.gz UMQCEBXAIFPITJ-HIFRSBDPSA-N 2 0 290.411 1.745 20 30 CDEDRP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001054099084 839295096 /nfs/dbraw/zinc/29/50/96/839295096.db2.gz AHVCVTMASLUKRT-WBVHZDCISA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014910364 839299765 /nfs/dbraw/zinc/29/97/65/839299765.db2.gz QCJGMMYJKQYILL-AWEZNQCLSA-N 2 0 277.412 1.239 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001052498933 839394362 /nfs/dbraw/zinc/39/43/62/839394362.db2.gz KVBMOKDYPWLKJV-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001008538229 839614103 /nfs/dbraw/zinc/61/41/03/839614103.db2.gz GOCJZMNRCLFOLD-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001036811634 839666828 /nfs/dbraw/zinc/66/68/28/839666828.db2.gz UAKKAKNBPWDNEI-JKSUJKDBSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001034647503 839690307 /nfs/dbraw/zinc/69/03/07/839690307.db2.gz JCWGCNNIVJGDNT-KBUPBQIOSA-N 2 0 279.428 1.530 20 30 CDEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC001073079249 839838709 /nfs/dbraw/zinc/83/87/09/839838709.db2.gz LGXLKBFBQBSCSJ-UHFFFAOYSA-N 2 0 274.368 1.063 20 30 CDEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997515842 839893670 /nfs/dbraw/zinc/89/36/70/839893670.db2.gz NYLBFCFLBARAIC-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001028552686 839994171 /nfs/dbraw/zinc/99/41/71/839994171.db2.gz ROKBATKSVKAYEL-OWCLPIDISA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1c(C)nc2sc(C)nn12 ZINC000883131331 840017075 /nfs/dbraw/zinc/01/70/75/840017075.db2.gz WIAWRKGGYRIZLL-UHFFFAOYSA-N 2 0 291.424 1.452 20 30 CDEDRP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990766995 840023992 /nfs/dbraw/zinc/02/39/92/840023992.db2.gz WUCXGBXWCYPZJH-KCYZZUKISA-N 2 0 289.423 1.073 20 30 CDEDRP CCOC1CC(CCNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)C1 ZINC000190136769 840058096 /nfs/dbraw/zinc/05/80/96/840058096.db2.gz PLEXRFSVFGEVNK-SLTAFYQDSA-N 2 0 296.459 1.580 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000996996148 840132766 /nfs/dbraw/zinc/13/27/66/840132766.db2.gz VEZUOZVOEUTQPW-CYBMUJFWSA-N 2 0 265.401 1.237 20 30 CDEDRP C[C@H]1CCCN(C(=[NH2+])NCCN2CCC([NH+](C)C)CC2)C1 ZINC000304735955 840153355 /nfs/dbraw/zinc/15/33/55/840153355.db2.gz SFVTWEKTSGUDES-AWEZNQCLSA-N 2 0 295.475 1.059 20 30 CDEDRP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034132931 840228655 /nfs/dbraw/zinc/22/86/55/840228655.db2.gz VHKMFRYDLKPEJC-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001027694375 840322545 /nfs/dbraw/zinc/32/25/45/840322545.db2.gz WNOCHBPCOJUBFL-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001020500335 840692811 /nfs/dbraw/zinc/69/28/11/840692811.db2.gz VZDDGBDGOURCIU-BZUAXINKSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(Cl)CN1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034044052 840700017 /nfs/dbraw/zinc/70/00/17/840700017.db2.gz ZPIKPCZPTFSGIM-KBPBESRZSA-N 2 0 299.846 1.613 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001022274394 840839017 /nfs/dbraw/zinc/83/90/17/840839017.db2.gz ZKGHORRNPZCHFM-GASCZTMLSA-N 2 0 291.439 1.675 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000997361928 840844236 /nfs/dbraw/zinc/84/42/36/840844236.db2.gz YOUUSASFBFGXBB-KBPBESRZSA-N 2 0 279.428 1.626 20 30 CDEDRP C[C@@H]1CCCN(C(=[NH2+])NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000303780869 840872110 /nfs/dbraw/zinc/87/21/10/840872110.db2.gz LUAJOYHCSMHPCN-ILXRZTDVSA-N 2 0 296.459 1.532 20 30 CDEDRP C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)C1=CC[N@H+](C)CC1 ZINC000819219980 840995951 /nfs/dbraw/zinc/99/59/51/840995951.db2.gz JHJMPIBWMPVFAA-GUYCJALGSA-N 2 0 285.391 1.832 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C#CC(C)C ZINC000825160593 841025092 /nfs/dbraw/zinc/02/50/92/841025092.db2.gz SUHZBVWFYWJRHK-INIZCTEOSA-N 2 0 293.455 1.520 20 30 CDEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001016544146 841054712 /nfs/dbraw/zinc/05/47/12/841054712.db2.gz UAPRMZSMMKBQOZ-CABCVRRESA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028779106 841360877 /nfs/dbraw/zinc/36/08/77/841360877.db2.gz UUAQJXLEXYBDGW-CQSZACIVSA-N 2 0 279.428 1.342 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC000996933933 841426150 /nfs/dbraw/zinc/42/61/50/841426150.db2.gz JCGHXPVSJZCMCR-UHFFFAOYSA-N 2 0 289.379 1.169 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000989189800 841581071 /nfs/dbraw/zinc/58/10/71/841581071.db2.gz UKBSJJZTCVTARP-JSGCOSHPSA-N 2 0 284.363 1.713 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001003507693 841583254 /nfs/dbraw/zinc/58/32/54/841583254.db2.gz LQLYMKVURFRRPG-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)[C@H](CO)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133155 841593752 /nfs/dbraw/zinc/59/37/52/841593752.db2.gz VGGYOQPWALPJEX-HIFRSBDPSA-N 2 0 261.369 1.529 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cnc2C)[C@@H]1C ZINC000987417207 841615657 /nfs/dbraw/zinc/61/56/57/841615657.db2.gz SIJVEUXPWOQGAN-VXGBXAGGSA-N 2 0 296.802 1.592 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2cnc[nH]2)C1 ZINC000989491425 841664172 /nfs/dbraw/zinc/66/41/72/841664172.db2.gz GKCPORUCFUACNC-YPMHNXCESA-N 2 0 262.357 1.107 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001005998762 841713157 /nfs/dbraw/zinc/71/31/57/841713157.db2.gz VFKDSPAZOKOAQV-CQSZACIVSA-N 2 0 279.428 1.580 20 30 CDEDRP CC[C@H](C)NC(=[NH2+])NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000303263641 841829052 /nfs/dbraw/zinc/82/90/52/841829052.db2.gz RGNBVSWXWBRPNA-AGIUHOORSA-N 2 0 254.422 1.810 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995897936 841841250 /nfs/dbraw/zinc/84/12/50/841841250.db2.gz SLCLKDLHJFXOLM-CYBMUJFWSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC001044657927 841851106 /nfs/dbraw/zinc/85/11/06/841851106.db2.gz JJVRBAMTRPHWMB-ZFWWWQNUSA-N 2 0 296.374 1.550 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1(C)C ZINC000995876861 842065042 /nfs/dbraw/zinc/06/50/42/842065042.db2.gz BEUKDBPXWBROLN-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C ZINC001039343061 842143510 /nfs/dbraw/zinc/14/35/10/842143510.db2.gz FJLDFDBYNLWIDA-OWCLPIDISA-N 2 0 291.439 1.722 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033199286 842300053 /nfs/dbraw/zinc/30/00/53/842300053.db2.gz PUUGHWUOKBOOPI-LSDHHAIUSA-N 2 0 277.412 1.027 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028321112 842316626 /nfs/dbraw/zinc/31/66/26/842316626.db2.gz ZZHLCMUMWGBCQZ-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000328103265 842354279 /nfs/dbraw/zinc/35/42/79/842354279.db2.gz LWRWRVIARKWQDH-UHFFFAOYSA-N 2 0 282.391 1.917 20 30 CDEDRP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001045554190 842568259 /nfs/dbraw/zinc/56/82/59/842568259.db2.gz PNNDSFYFYWWMQJ-GJZGRUSLSA-N 2 0 291.439 1.178 20 30 CDEDRP CC#CC[NH+]1CCC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001005990378 842568798 /nfs/dbraw/zinc/56/87/98/842568798.db2.gz FVUZBVLXSOGBDA-OAHLLOKOSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC)C2)CC1 ZINC000995231594 842818915 /nfs/dbraw/zinc/81/89/15/842818915.db2.gz NJEGBQQFLNILQW-GDBMZVCRSA-N 2 0 291.439 1.226 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001036811633 842838034 /nfs/dbraw/zinc/83/80/34/842838034.db2.gz UAKKAKNBPWDNEI-HZPDHXFCSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC001044680602 842931609 /nfs/dbraw/zinc/93/16/09/842931609.db2.gz GLLNQZXTDNKSBV-ZFWWWQNUSA-N 2 0 296.374 1.550 20 30 CDEDRP C#CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC000996665376 842954883 /nfs/dbraw/zinc/95/48/83/842954883.db2.gz BTMCOBOXIZXYAS-HNNXBMFYSA-N 2 0 291.439 1.322 20 30 CDEDRP N#CCC1CCC([NH2+]CC2CC[NH+](CCO)CC2)CC1 ZINC001173329957 912428546 /nfs/dbraw/zinc/42/85/46/912428546.db2.gz QHWVWNSZIJIDPH-UHFFFAOYSA-N 2 0 279.428 1.753 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001167225418 894905850 /nfs/dbraw/zinc/90/58/50/894905850.db2.gz UUAXLXYOJYSCBF-HNNXBMFYSA-N 2 0 293.455 1.923 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176103180 913958623 /nfs/dbraw/zinc/95/86/23/913958623.db2.gz SVRVHSHPSLKMJD-UHFFFAOYSA-N 2 0 253.390 1.144 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176165756 913974021 /nfs/dbraw/zinc/97/40/21/913974021.db2.gz OCYCNZZQGVJKPG-CVEARBPZSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001167619865 897063840 /nfs/dbraw/zinc/06/38/40/897063840.db2.gz MMMPQPZBRXZZHZ-HNNXBMFYSA-N 2 0 281.444 1.923 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176738123 914236387 /nfs/dbraw/zinc/23/63/87/914236387.db2.gz OUQGPGVWOGCSEW-INIZCTEOSA-N 2 0 293.455 1.760 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC(=C)Cl)CC1 ZINC001176925772 914361118 /nfs/dbraw/zinc/36/11/18/914361118.db2.gz BBXAQLUZXSUOCV-UHFFFAOYSA-N 2 0 297.830 1.180 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001167835679 901258813 /nfs/dbraw/zinc/25/88/13/901258813.db2.gz KVUZPZSDHFGSRW-UHFFFAOYSA-N 2 0 281.444 1.780 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001481706071 901863755 /nfs/dbraw/zinc/86/37/55/901863755.db2.gz OXSJYSDUQOLRSZ-ZIAGYGMSSA-N 2 0 267.417 1.339 20 30 CDEDRP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001270770497 905029210 /nfs/dbraw/zinc/02/92/10/905029210.db2.gz UPJYHZAPUZWZEI-ZBFHGGJFSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1CC ZINC001087712460 905782748 /nfs/dbraw/zinc/78/27/48/905782748.db2.gz JQQWGSMMMJLRPG-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001088425531 907148863 /nfs/dbraw/zinc/14/88/63/907148863.db2.gz XWPPOTLPYCWVTD-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H](C)C1 ZINC001093224920 909702614 /nfs/dbraw/zinc/70/26/14/909702614.db2.gz GUKDDLRBFYBAMY-OAGGEKHMSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171578553 910836477 /nfs/dbraw/zinc/83/64/77/910836477.db2.gz DSXNVIRRGJKLEU-UHFFFAOYSA-N 2 0 255.406 1.390 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)CC[N@@H+](C)CC ZINC001179989205 916103825 /nfs/dbraw/zinc/10/38/25/916103825.db2.gz UQKVHPIGDOEGNU-UHFFFAOYSA-N 2 0 267.417 1.228 20 30 CDEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001206454796 917136054 /nfs/dbraw/zinc/13/60/54/917136054.db2.gz GVIKJBRNKSBFIN-QLFBSQMISA-N 2 0 250.386 1.540 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+](C)C)CCC1 ZINC001032443730 919142007 /nfs/dbraw/zinc/14/20/07/919142007.db2.gz BKNYGNLOQYROBN-KBPBESRZSA-N 2 0 277.412 1.332 20 30 CDEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185408021 919602224 /nfs/dbraw/zinc/60/22/24/919602224.db2.gz KBVUHUAUTWYBQN-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)Cc2cncn2C)C[C@H]1C ZINC001185501976 919634465 /nfs/dbraw/zinc/63/44/65/919634465.db2.gz JYRIQYHJQBSRAB-KGLIPLIRSA-N 2 0 290.411 1.223 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001187291162 920456757 /nfs/dbraw/zinc/45/67/57/920456757.db2.gz LCHMJTUUAQAFQU-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP C#CCCC[NH+]1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001273542405 920571625 /nfs/dbraw/zinc/57/16/25/920571625.db2.gz UUXCBNLUWRPUDY-HNNXBMFYSA-N 2 0 291.439 1.180 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001188139568 920856593 /nfs/dbraw/zinc/85/65/93/920856593.db2.gz PJDIIBKQVAJPLL-HZPDHXFCSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203028381 936706624 /nfs/dbraw/zinc/70/66/24/936706624.db2.gz MUMCFPPCOYKSDE-ZIAGYGMSSA-N 2 0 291.439 1.674 20 30 CDEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001190247065 921933732 /nfs/dbraw/zinc/93/37/32/921933732.db2.gz JZZBFSRMFPGVRG-HRCADAONSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001098219661 936746838 /nfs/dbraw/zinc/74/68/38/936746838.db2.gz OLKUEKBDHZQJPM-FPCVCCKLSA-N 2 0 291.439 1.626 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190948599 922301665 /nfs/dbraw/zinc/30/16/65/922301665.db2.gz WJLHRJULWBSUPC-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001192550729 923125772 /nfs/dbraw/zinc/12/57/72/923125772.db2.gz LAYYVRHDTCOOOY-DZGCQCFKSA-N 2 0 290.411 1.840 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193460378 923693899 /nfs/dbraw/zinc/69/38/99/923693899.db2.gz BPNLYNJFKSRJRF-GJZGRUSLSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193570447 923778644 /nfs/dbraw/zinc/77/86/44/923778644.db2.gz JXQMXXOBLMWJHQ-OAHLLOKOSA-N 2 0 279.428 1.274 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001080851534 924646938 /nfs/dbraw/zinc/64/69/38/924646938.db2.gz OLFGJNJHGHMMJF-BXUZGUMPSA-N 2 0 276.384 1.273 20 30 CDEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085597835 926199594 /nfs/dbraw/zinc/19/95/94/926199594.db2.gz GYKIGEWKLDXZBQ-JKSUJKDBSA-N 2 0 291.439 1.437 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001201149989 926205372 /nfs/dbraw/zinc/20/53/72/926205372.db2.gz RPVSXQNXOJOLJQ-HNNXBMFYSA-N 2 0 279.428 1.177 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001085604116 926210817 /nfs/dbraw/zinc/21/08/17/926210817.db2.gz XKUNGJCKCFVZQN-HRCADAONSA-N 2 0 293.455 1.826 20 30 CDEDRP C#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001085687255 926285741 /nfs/dbraw/zinc/28/57/41/926285741.db2.gz LSLOAIFXEDLQAQ-HZPDHXFCSA-N 2 0 291.439 1.273 20 30 CDEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103374394 937138440 /nfs/dbraw/zinc/13/84/40/937138440.db2.gz DXGIZMJBXSVFGR-HUUCEWRRSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169127904 927740346 /nfs/dbraw/zinc/74/03/46/927740346.db2.gz XFKIGFBHUXBCFF-UHFFFAOYSA-N 2 0 253.390 1.000 20 30 CDEDRP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149890813 937209540 /nfs/dbraw/zinc/20/95/40/937209540.db2.gz VKSJUBYRSDFLGC-HUUCEWRRSA-N 2 0 297.443 1.110 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110667664 928011747 /nfs/dbraw/zinc/01/17/47/928011747.db2.gz DYCQIMZBLIONDA-WCVJEAGWSA-N 2 0 289.423 1.071 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](C)C)C2 ZINC001108750155 928629552 /nfs/dbraw/zinc/62/95/52/928629552.db2.gz XFTVVFXYRUNUFV-KKUMJFAQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH+]1CCC(CCOC)(NC(=O)CC[NH+](C)C)CC1 ZINC001151308383 937278655 /nfs/dbraw/zinc/27/86/55/937278655.db2.gz PAPTXUUPLNWZIF-UHFFFAOYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151362672 937281671 /nfs/dbraw/zinc/28/16/71/937281671.db2.gz ZZVZFQWLXULUSF-UHFFFAOYSA-N 2 0 281.444 1.925 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001112969575 929609955 /nfs/dbraw/zinc/60/99/55/929609955.db2.gz OLFORMARFUQTGZ-UHFFFAOYSA-N 2 0 279.428 1.581 20 30 CDEDRP C=CCOCC[NH2+]CCNC(=O)C[N@@H+](C)CCCCCC ZINC001135437068 930204176 /nfs/dbraw/zinc/20/41/76/930204176.db2.gz MEQRCXMZTHURLY-UHFFFAOYSA-N 2 0 299.459 1.407 20 30 CDEDRP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001135511649 930242097 /nfs/dbraw/zinc/24/20/97/930242097.db2.gz XABPEXWYGPRPDT-UHFFFAOYSA-N 2 0 288.395 1.106 20 30 CDEDRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCc1ccc(C#N)cc1 ZINC001253405153 930466711 /nfs/dbraw/zinc/46/67/11/930466711.db2.gz QNIYFFJPCOTHKC-HNNXBMFYSA-N 2 0 275.396 1.439 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135861683 930482216 /nfs/dbraw/zinc/48/22/16/930482216.db2.gz VNNJCGWFIGPLFS-KGLIPLIRSA-N 2 0 269.433 1.777 20 30 CDEDRP N#Cc1c2c(cnc1N[C@H]([NH3+])CCC[NH3+])CCCC2 ZINC001159788995 930857727 /nfs/dbraw/zinc/85/77/27/930857727.db2.gz PIRKLYJPVSLPHG-ZDUSSCGKSA-N 2 0 259.357 1.268 20 30 CDEDRP C#Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)cc1 ZINC001275132313 931673745 /nfs/dbraw/zinc/67/37/45/931673745.db2.gz QLRQLDYYOFEBKN-OALUTQOASA-N 2 0 297.446 1.878 20 30 CDEDRP C#CCCC[NH+]1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001275977701 932194209 /nfs/dbraw/zinc/19/42/09/932194209.db2.gz DSIWXWPFCKPHLW-UHFFFAOYSA-N 2 0 277.456 1.749 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ccnc1C ZINC001146331345 932234857 /nfs/dbraw/zinc/23/48/57/932234857.db2.gz AWDKLRUDQIDURW-CHWSQXEVSA-N 2 0 278.400 1.641 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146599337 932269949 /nfs/dbraw/zinc/26/99/49/932269949.db2.gz AXGYEFZCRAVINM-UONOGXRCSA-N 2 0 267.417 1.223 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148359797 932700142 /nfs/dbraw/zinc/70/01/42/932700142.db2.gz DZMUPGZMECESBG-UHFFFAOYSA-N 2 0 255.406 1.390 20 30 CDEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001148651518 932759867 /nfs/dbraw/zinc/75/98/67/932759867.db2.gz HLGKHYCUHPKFCR-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155237999 937652470 /nfs/dbraw/zinc/65/24/70/937652470.db2.gz UANUMONGBRMHKR-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1([NH+](C)C)CCCC1 ZINC001114626257 934864130 /nfs/dbraw/zinc/86/41/30/934864130.db2.gz BGHNFQGDGIMSBR-FOLVSLTJSA-N 2 0 291.439 1.483 20 30 CDEDRP CC(C)N(CCC[NH3+])c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001156118516 938321614 /nfs/dbraw/zinc/32/16/14/938321614.db2.gz NPFDQLZBMAFPGS-UHFFFAOYSA-N 2 0 287.411 1.553 20 30 CDEDRP CN(c1ncc2c(c1C#N)CCC[NH2+]C2)C1CC[NH2+]CC1 ZINC001156169527 938327377 /nfs/dbraw/zinc/32/73/77/938327377.db2.gz CAJIDNGFIKGBKV-UHFFFAOYSA-N 2 0 285.395 1.177 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157886519 938557787 /nfs/dbraw/zinc/55/77/87/938557787.db2.gz ILXNLMQLYURQFN-OAHLLOKOSA-N 2 0 281.444 1.921 20 30 CDEDRP C#CC[NH+]1CC=C(CCNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001160519107 938794306 /nfs/dbraw/zinc/79/43/06/938794306.db2.gz WVJLBKUUGCJFKP-UHFFFAOYSA-N 2 0 291.439 1.488 20 30 CDEDRP N#Cc1cccnc1-n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001160944488 938847128 /nfs/dbraw/zinc/84/71/28/938847128.db2.gz NEVNCTWBWBNWIY-UHFFFAOYSA-N 2 0 263.304 1.793 20 30 CDEDRP [NH3+]CCC[NH2+]CC(=O)N1CCC(C#Cc2ccccc2)CC1 ZINC001161152316 938876536 /nfs/dbraw/zinc/87/65/36/938876536.db2.gz GMRDIKXCNXYZAF-UHFFFAOYSA-N 2 0 299.418 1.215 20 30 CDEDRP C#CCC[N@H+]1CC=C(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001161504761 938907532 /nfs/dbraw/zinc/90/75/32/938907532.db2.gz RIOZMDHAIISLHB-UHFFFAOYSA-N 2 0 291.439 1.490 20 30 CDEDRP C[NH+]1CCN(CCC[NH2+]C#C[Si](C)(C)C)CC1 ZINC001161705651 938923216 /nfs/dbraw/zinc/92/32/16/938923216.db2.gz LFTNOFINBYGZSZ-UHFFFAOYSA-N 2 0 253.466 1.052 20 30 CDEDRP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161863485 938936926 /nfs/dbraw/zinc/93/69/26/938936926.db2.gz RDDTYBSTRWCLLF-INIZCTEOSA-N 2 0 289.423 1.100 20 30 CDEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001163820579 939338224 /nfs/dbraw/zinc/33/82/24/939338224.db2.gz GJURDGNSEAVMEK-CYBMUJFWSA-N 2 0 299.846 1.709 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163851979 939342215 /nfs/dbraw/zinc/34/22/15/939342215.db2.gz VTNPIGXBQOQXHH-UHFFFAOYSA-N 2 0 267.417 1.533 20 30 CDEDRP C#CCOc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001205221972 939838500 /nfs/dbraw/zinc/83/85/00/939838500.db2.gz YROYAXGQZJWLCQ-KRWDZBQOSA-N 2 0 288.391 1.374 20 30 CDEDRP C#Cc1cccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205240338 939841200 /nfs/dbraw/zinc/84/12/00/939841200.db2.gz IWCWEDBGRVIFHV-INIZCTEOSA-N 2 0 258.365 1.344 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001206125459 939983942 /nfs/dbraw/zinc/98/39/42/939983942.db2.gz ABVJBRTUCRHWFF-UHFFFAOYSA-N 2 0 293.455 1.733 20 30 CDEDRP N#Cc1ccn2ncc(CN3CC[C@H]([NH3+])[C@@H](F)CC3)c2c1 ZINC001206213453 939999077 /nfs/dbraw/zinc/99/90/77/939999077.db2.gz VIHVASUWSVHTLW-KBPBESRZSA-N 2 0 287.342 1.467 20 30 CDEDRP N#Cc1ccn2ncc(CN3CC[C@@H](F)[C@@H]([NH3+])CC3)c2c1 ZINC001206213455 939999347 /nfs/dbraw/zinc/99/93/47/939999347.db2.gz VIHVASUWSVHTLW-KGLIPLIRSA-N 2 0 287.342 1.467 20 30 CDEDRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cncc(C#N)c2)CC1 ZINC001206318965 940017338 /nfs/dbraw/zinc/01/73/38/940017338.db2.gz WGTYONHROSJQCY-HNNXBMFYSA-N 2 0 258.369 1.904 20 30 CDEDRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccnc(C#N)c2)CC1 ZINC001206326313 940019229 /nfs/dbraw/zinc/01/92/29/940019229.db2.gz MTIKCRKIFWIDCO-HNNXBMFYSA-N 2 0 258.369 1.904 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001208261176 940313071 /nfs/dbraw/zinc/31/30/71/940313071.db2.gz KDKNIAYJKWKQLG-CABCVRRESA-N 2 0 297.418 1.270 20 30 CDEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001208414103 940328844 /nfs/dbraw/zinc/32/88/44/940328844.db2.gz HVLZOLVEVQDIJL-LSDHHAIUSA-N 2 0 297.443 1.110 20 30 CDEDRP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001209585884 940612678 /nfs/dbraw/zinc/61/26/78/940612678.db2.gz RVDORHKRFFZOOC-OAGGEKHMSA-N 2 0 293.455 1.423 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001209659364 940624707 /nfs/dbraw/zinc/62/47/07/940624707.db2.gz CJVZQLQOELFAKK-HNNXBMFYSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001214665436 940835073 /nfs/dbraw/zinc/83/50/73/940835073.db2.gz BZBLNXNCTFWBAR-QKPAOTATSA-N 2 0 291.439 1.177 20 30 CDEDRP N#Cc1ccc([C@@H](O)CN2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000402237249 940891772 /nfs/dbraw/zinc/89/17/72/940891772.db2.gz FYDOPJXWRFRKFQ-JKSUJKDBSA-N 2 0 271.364 1.277 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001215781763 940907833 /nfs/dbraw/zinc/90/78/33/940907833.db2.gz ORVTZISULIWZNW-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001216503379 940942187 /nfs/dbraw/zinc/94/21/87/940942187.db2.gz RAQIXSRTQKWVIC-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001216979987 940971724 /nfs/dbraw/zinc/97/17/24/940971724.db2.gz FEZZBZYRHRWSGH-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP Cc1cc(C#N)c(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])s1 ZINC001218554439 941235730 /nfs/dbraw/zinc/23/57/30/941235730.db2.gz JKLFNUDJKWMSHR-NSHDSACASA-N 2 0 280.397 1.713 20 30 CDEDRP C[C@H](C#N)c1ccc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cc1 ZINC001218871713 941282532 /nfs/dbraw/zinc/28/25/32/941282532.db2.gz QHVHJWUECLMGJY-IAQYHMDHSA-N 2 0 286.379 1.579 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)N[C@H]2C[NH2+]Cc3ccsc32)C1 ZINC001219825976 941389795 /nfs/dbraw/zinc/38/97/95/941389795.db2.gz OIXCJXGCODNYIU-FZMZJTMJSA-N 2 0 277.393 1.317 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224246043 941732217 /nfs/dbraw/zinc/73/22/17/941732217.db2.gz SEABGAKFWMIZPC-CVEARBPZSA-N 2 0 291.439 1.273 20 30 CDEDRP N#Cc1ccc(-c2cn(CCCC[NH2+]CCC[NH3+])nn2)cc1 ZINC001254162476 947315793 /nfs/dbraw/zinc/31/57/93/947315793.db2.gz BQSBLHOMLILMJO-UHFFFAOYSA-N 2 0 298.394 1.535 20 30 CDEDRP C=CCCCCCC[C@@H](O)C[NH2+][C@@H](C)CN1CC[NH2+]CC1 ZINC001245977188 947875660 /nfs/dbraw/zinc/87/56/60/947875660.db2.gz WNJUPGGBWJJPPG-DLBZAZTESA-N 2 0 297.487 1.757 20 30 CDEDRP C=CCOCC[N@H+]1CC[C@@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001278437985 948049896 /nfs/dbraw/zinc/04/98/96/948049896.db2.gz MHFKTXNEZIUSAQ-GOEBONIOSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CCN1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1=O ZINC001255671627 948064445 /nfs/dbraw/zinc/06/44/45/948064445.db2.gz MMICWSVZYDMOTR-UYTSQGDYSA-N 2 0 291.439 1.768 20 30 CDEDRP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(C#N)cc2)CC[NH2+]1 ZINC001246332121 948111096 /nfs/dbraw/zinc/11/10/96/948111096.db2.gz ZLGYPBFZYIKFAY-TZMCWYRMSA-N 2 0 259.353 1.667 20 30 CDEDRP C=CCOC[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001252472174 951327857 /nfs/dbraw/zinc/32/78/57/951327857.db2.gz PHAXQFMPFTULSQ-HNNXBMFYSA-N 2 0 291.395 1.076 20 30 CDEDRP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001421567914 955412345 /nfs/dbraw/zinc/41/23/45/955412345.db2.gz DGZKLJQQWSIJNP-OKILXGFUSA-N 2 0 299.846 1.471 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC001313439888 956853617 /nfs/dbraw/zinc/85/36/17/956853617.db2.gz XAINDTLCBPVSBW-UHFFFAOYSA-N 2 0 294.443 1.067 20 30 CDEDRP C=C[C@@H](COC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001324016128 961112790 /nfs/dbraw/zinc/11/27/90/961112790.db2.gz UBHWPTYXKWZTGJ-INIZCTEOSA-N 2 0 289.423 1.729 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC001340268156 962852493 /nfs/dbraw/zinc/85/24/93/962852493.db2.gz ZBAQAYYDZKFNKS-IHRRRGAJSA-N 2 0 280.416 1.292 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1CC[NH3+] ZINC001340296946 962867512 /nfs/dbraw/zinc/86/75/12/962867512.db2.gz LHFSWCAENJPISG-STQMWFEESA-N 2 0 253.390 1.400 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC001340296349 962870148 /nfs/dbraw/zinc/87/01/48/962870148.db2.gz HUSDPAAGETWKSV-CVEARBPZSA-N 2 0 287.407 1.673 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC001340312125 962883246 /nfs/dbraw/zinc/88/32/46/962883246.db2.gz MAYIZURVVVLHSX-QWHCGFSZSA-N 2 0 253.390 1.318 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001340946629 963207142 /nfs/dbraw/zinc/20/71/42/963207142.db2.gz XYAPGPSTONCVAW-CABCVRRESA-N 2 0 299.459 1.559 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001200506215 968357299 /nfs/dbraw/zinc/35/72/99/968357299.db2.gz AXWVYCNEFGQAMK-INIZCTEOSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC001357661279 969638748 /nfs/dbraw/zinc/63/87/48/969638748.db2.gz VQIWTASNWYTOIP-ZIAGYGMSSA-N 2 0 279.428 1.661 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001375429838 974378406 /nfs/dbraw/zinc/37/84/06/974378406.db2.gz SVZQSTRXFBKWIE-UHFFFAOYSA-N 2 0 285.819 1.462 20 30 CDEDRP C=CCC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132250158 1163212008 /nfs/dbraw/zinc/21/20/08/1163212008.db2.gz XRLZYXXLRWZXCP-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132519508 1163338646 /nfs/dbraw/zinc/33/86/46/1163338646.db2.gz ZXWTZDMKZSXANK-CABCVRRESA-N 2 0 279.428 1.319 20 30 CDEDRP C=CCC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCC1 ZINC001570107760 1170081653 /nfs/dbraw/zinc/08/16/53/1170081653.db2.gz ATVQGLJOLYAEBP-CYBMUJFWSA-N 2 0 267.417 1.531 20 30 CDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]([N@@H+](C)CC)C1 ZINC001574851576 1171025472 /nfs/dbraw/zinc/02/54/72/1171025472.db2.gz HUFADDVWZPBHJP-MNOVXSKESA-N 2 0 259.781 1.009 20 30 CDEDRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC001576117419 1171335125 /nfs/dbraw/zinc/33/51/25/1171335125.db2.gz OGYQWJOKOAQRCT-XQQFMLRXSA-N 2 0 251.374 1.100 20 30 CDEDRP C[C@@H](CC#N)NCc1ccc(CN2CCOCC2)cc1 ZINC000609030377 342087566 /nfs/dbraw/zinc/08/75/66/342087566.db2.gz DLACPQYLPZZFIL-AWEZNQCLSA-N 2 0 273.380 1.911 20 30 CDEDRP N#Cc1ccc(CC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000595887606 343181263 /nfs/dbraw/zinc/18/12/63/343181263.db2.gz HGPGTPYXXTXAQP-INIZCTEOSA-N 2 0 255.365 1.786 20 30 CDEDRP C[NH+](C)CCCN(CCC#N)C(=O)C[N@H+](C)CC(C)(C)C ZINC000602082247 344328504 /nfs/dbraw/zinc/32/85/04/344328504.db2.gz ISAYTUHOCLETGD-UHFFFAOYSA-N 2 0 296.459 1.658 20 30 CDEDRP C[C@H](CCC#N)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000602485266 344449202 /nfs/dbraw/zinc/44/92/02/344449202.db2.gz WZQNLSLFCDBESX-IKGGRYGDSA-N 2 0 292.471 1.884 20 30 CDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449548015 362755973 /nfs/dbraw/zinc/75/59/73/362755973.db2.gz KQUKFPLMCZDAEK-YJNKXOJESA-N 2 0 250.386 1.936 20 30 CDEDRP CC#CC[C@H](CO)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000641768708 365835541 /nfs/dbraw/zinc/83/55/41/365835541.db2.gz GLGYIUBGGVCMRR-JQHSSLGASA-N 2 0 286.419 1.871 20 30 CDEDRP C[C@@H](C#N)C[NH+](C)CCCC[N@@H+](C)C[C@@H](C)C#N ZINC000077270113 348691013 /nfs/dbraw/zinc/69/10/13/348691013.db2.gz LXZTWUQHKUSKRM-KBPBESRZSA-N 2 0 250.390 1.950 20 30 CDEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000192838403 283055846 /nfs/dbraw/zinc/05/58/46/283055846.db2.gz RZYNEZRZHNIBJO-HUUCEWRRSA-N 2 0 265.401 1.363 20 30 CDEDRP CC[NH+](CC)CCC[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000558725225 356041556 /nfs/dbraw/zinc/04/15/56/356041556.db2.gz HEAKLDTWWILNOA-UHFFFAOYSA-N 2 0 292.431 1.290 20 30 CDEDRP COc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1C#N ZINC000414857468 356687477 /nfs/dbraw/zinc/68/74/77/356687477.db2.gz PNRUFBBDCIKZGN-CYBMUJFWSA-N 2 0 259.353 1.656 20 30 CDEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181721408 357376234 /nfs/dbraw/zinc/37/62/34/357376234.db2.gz MBCULQYYCSXUAY-GJZGRUSLSA-N 2 0 286.423 1.845 20 30 CDEDRP O=C(CCc1ncc[nH]1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329214244 227355417 /nfs/dbraw/zinc/35/54/17/227355417.db2.gz KWFWYLZUXDCJLW-LLVKDONJSA-N 2 0 262.357 1.783 20 30 CDEDRP C#CCNC(=O)[C@@H](C)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157346918 360847408 /nfs/dbraw/zinc/84/74/08/360847408.db2.gz QOGDUFPCRRCQBL-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP CC[NH+](CC)[C@H](CNC(=[NH2+])N(C)C)Cc1ccccc1 ZINC000170912897 365162485 /nfs/dbraw/zinc/16/24/85/365162485.db2.gz NJIPTGQPONZJEM-HNNXBMFYSA-N 2 0 276.428 1.816 20 30 CDEDRP CC1CCN(C(=[NH2+])NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000122469573 370815376 /nfs/dbraw/zinc/81/53/76/370815376.db2.gz QBFWPJODRPULEU-GJZGRUSLSA-N 2 0 296.459 1.532 20 30 CDEDRP CC(C)[NH+]1CCN([C@@H]2CCN(CC3(C#N)CC3)C2)CC1 ZINC000538348637 368270170 /nfs/dbraw/zinc/27/01/70/368270170.db2.gz CATFNWCAWWYFBC-OAHLLOKOSA-N 2 0 276.428 1.390 20 30 CDEDRP CC#CC[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420977453 376544861 /nfs/dbraw/zinc/54/48/61/376544861.db2.gz IDTHVOCRTOMNRR-UHFFFAOYSA-N 2 0 263.429 1.502 20 30 CDEDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000248799766 377329458 /nfs/dbraw/zinc/32/94/58/377329458.db2.gz JNXAQUBSJYYPDC-BZUAXINKSA-N 2 0 278.444 1.684 20 30 CDEDRP C#Cc1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000289964809 378356126 /nfs/dbraw/zinc/35/61/26/378356126.db2.gz BMDUKQYVXYKQTM-MRXNPFEDSA-N 2 0 285.435 1.641 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(CCCC(=O)OC)CC1 ZINC000449470913 390525089 /nfs/dbraw/zinc/52/50/89/390525089.db2.gz BMWAYDYLBNOWOM-UHFFFAOYSA-N 2 0 268.401 1.960 20 30 CDEDRP COCCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442778542 391029595 /nfs/dbraw/zinc/02/95/95/391029595.db2.gz HDQXSFHXLZZWIA-DZGCQCFKSA-N 2 0 265.401 1.769 20 30 CDEDRP C[N@H+](CCNC(=[NH2+])Nc1cc(F)ccc1F)C1CC1 ZINC000262253098 391063293 /nfs/dbraw/zinc/06/32/93/391063293.db2.gz DRLOZTCJBNVYND-UHFFFAOYSA-N 2 0 268.311 1.786 20 30 CDEDRP CN(CCNC(=[NH2+])NC1CC1)Cc1ccc(F)cc1 ZINC000267364964 391192495 /nfs/dbraw/zinc/19/24/95/391192495.db2.gz SLDJSLIQXSBAHO-UHFFFAOYSA-N 2 0 264.348 1.324 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1sc(C)nc1C ZINC000267461511 391196667 /nfs/dbraw/zinc/19/66/67/391196667.db2.gz VJHHDGKEMHQZOM-LBPRGKRZSA-N 2 0 295.456 1.649 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC(N[C@@H](C[NH3+])C3CC3)CC2)cc1 ZINC000423278386 392960046 /nfs/dbraw/zinc/96/00/46/392960046.db2.gz PTOPZITZOBNCDI-SFHVURJKSA-N 2 0 298.434 1.850 20 30 CDEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290785 414617673 /nfs/dbraw/zinc/61/76/73/414617673.db2.gz KKRJTRHPGLTKHN-HIFRSBDPSA-N 2 0 279.428 1.389 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1([NH3+])CCC1)C(C)C ZINC000449324413 260415205 /nfs/dbraw/zinc/41/52/05/260415205.db2.gz FGSWRMNGUFYCAU-AWEZNQCLSA-N 2 0 279.428 1.683 20 30 CDEDRP C#CCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000491778213 262039137 /nfs/dbraw/zinc/03/91/37/262039137.db2.gz YBNTZCNQBDBIAD-UHFFFAOYSA-N 2 0 270.380 1.398 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)c1nccs1 ZINC000273355932 263015933 /nfs/dbraw/zinc/01/59/33/263015933.db2.gz BYUCPUWRAHXMCM-RYUDHWBXSA-N 2 0 295.456 1.635 20 30 CDEDRP CN1CC[NH+]=C1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000285083052 263090121 /nfs/dbraw/zinc/09/01/21/263090121.db2.gz NKIWUHFUEQKUIB-UHFFFAOYSA-N 2 0 290.411 1.408 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000334910987 277775421 /nfs/dbraw/zinc/77/54/21/277775421.db2.gz QHNNLGDEZSFZRT-KGLIPLIRSA-N 2 0 294.443 1.419 20 30 CDEDRP CCN(CCC#N)C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000112731240 327964889 /nfs/dbraw/zinc/96/48/89/327964889.db2.gz DZVIHRALYJJJME-UHFFFAOYSA-N 2 0 294.443 1.412 20 30 CDEDRP COCCC[NH+]1CCC(NC[C@H](C#N)CCC#N)CC1 ZINC000564442900 327041223 /nfs/dbraw/zinc/04/12/23/327041223.db2.gz ACKPTJJPXFJGRA-AWEZNQCLSA-N 2 0 278.400 1.520 20 30 CDEDRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)N1CC[NH+](C)CC1 ZINC000185773090 329331603 /nfs/dbraw/zinc/33/16/03/329331603.db2.gz ABRYRAFXLKQKMQ-BBWFWOEESA-N 2 0 292.471 1.930 20 30 CDEDRP C=CCN1CC[C@@H]([NH+]2CCC([C@H]3CC[NH2+]C3)CC2)C1=O ZINC000420323516 329762690 /nfs/dbraw/zinc/76/26/90/329762690.db2.gz YKAZRVBLYIZNHE-LSDHHAIUSA-N 2 0 277.412 1.095 20 30 CDEDRP C#CCNC(=[NH+]CC)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262427579 330010010 /nfs/dbraw/zinc/01/00/10/330010010.db2.gz DEMOVCUYCFJTJY-CQSZACIVSA-N 2 0 262.401 1.145 20 30 CDEDRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC2=[NH+]CCN2C)C1 ZINC000262642006 330024056 /nfs/dbraw/zinc/02/40/56/330024056.db2.gz HZUMTZGPILDBKU-GFCCVEGCSA-N 2 0 252.406 1.388 20 30 CDEDRP CC[NH2+]Cc1ccccc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424060176 330218735 /nfs/dbraw/zinc/21/87/35/330218735.db2.gz PKJICUZKYXUCCM-CYBMUJFWSA-N 2 0 274.368 1.756 20 30 CDEDRP C[NH+](C)C1(CNC(=O)[C@H]([NH3+])CCCC#N)CCCCCC1 ZINC000424145591 330291399 /nfs/dbraw/zinc/29/13/99/330291399.db2.gz ZDDRVPSIUMVSKW-CQSZACIVSA-N 2 0 294.443 1.778 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000491658968 332269473 /nfs/dbraw/zinc/26/94/73/332269473.db2.gz BYOXGDAFVZXPQB-HNNXBMFYSA-N 2 0 294.443 1.067 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000491743323 332321731 /nfs/dbraw/zinc/32/17/31/332321731.db2.gz UGOFKQDDYCVDNJ-AWEZNQCLSA-N 2 0 294.443 1.019 20 30 CDEDRP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001755325412 1159835131 /nfs/dbraw/zinc/83/51/31/1159835131.db2.gz YOOSRYITOSPDQA-WBVHZDCISA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001752980912 1184982549 /nfs/dbraw/zinc/98/25/49/1184982549.db2.gz SXXDSAQVXBVNGA-LSDHHAIUSA-N 2 0 279.428 1.369 20 30 CDEDRP C=C(C)CC[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001754337188 1185587087 /nfs/dbraw/zinc/58/70/87/1185587087.db2.gz TYCUTXAIVMVYCC-CQSZACIVSA-N 2 0 269.433 1.729 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000347565969 526448033 /nfs/dbraw/zinc/44/80/33/526448033.db2.gz WQSHWMBCKWBHCJ-UHFFFAOYSA-N 2 0 285.391 1.670 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000764241097 575895181 /nfs/dbraw/zinc/89/51/81/575895181.db2.gz XTYUXVYGEIPKCM-UHFFFAOYSA-N 2 0 261.369 1.805 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000764311271 575898883 /nfs/dbraw/zinc/89/88/83/575898883.db2.gz SDTYBSSJIXUDQC-OKILXGFUSA-N 2 0 281.444 1.588 20 30 CDEDRP C#CCC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000760845805 576515540 /nfs/dbraw/zinc/51/55/40/576515540.db2.gz VTJKGSIXQVMAAD-UHFFFAOYSA-N 2 0 293.455 1.426 20 30 CDEDRP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000981334444 612973296 /nfs/dbraw/zinc/97/32/96/612973296.db2.gz LMPABSTYYXBHQT-GJZGRUSLSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](C(C)C)C2)CC1 ZINC000970920801 613131007 /nfs/dbraw/zinc/13/10/07/613131007.db2.gz MHKIGZIDZRYMDA-AWEZNQCLSA-N 2 0 291.439 1.177 20 30 CDEDRP C#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942256115 613257370 /nfs/dbraw/zinc/25/73/70/613257370.db2.gz CXFULVBHZRKSBS-CABCVRRESA-N 2 0 289.423 1.075 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000943756061 613258438 /nfs/dbraw/zinc/25/84/38/613258438.db2.gz KMROHWYUCIXGQQ-CVEARBPZSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000961783574 613279430 /nfs/dbraw/zinc/27/94/30/613279430.db2.gz AQPZIONQZAOFCA-LJIGWXMPSA-N 2 0 291.439 1.341 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977481029 613337626 /nfs/dbraw/zinc/33/76/26/613337626.db2.gz XUGPVLDBOPWYNJ-CQSZACIVSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2CCCCN2C)C(C)(C)C1 ZINC000974733258 613341793 /nfs/dbraw/zinc/34/17/93/613341793.db2.gz SEUMURUUGHSSNE-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000969170308 613348843 /nfs/dbraw/zinc/34/88/43/613348843.db2.gz PAQMSMRFQVFHBX-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000969097557 613348916 /nfs/dbraw/zinc/34/89/16/613348916.db2.gz FCFPWZAYMKXIGD-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000972009471 613630497 /nfs/dbraw/zinc/63/04/97/613630497.db2.gz SCRGXIJVNCGUCM-JKSUJKDBSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000972190480 613641355 /nfs/dbraw/zinc/64/13/55/613641355.db2.gz ZACRSGJVZFRFDV-AWEZNQCLSA-N 2 0 291.395 1.674 20 30 CDEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC000970341483 613668295 /nfs/dbraw/zinc/66/82/95/613668295.db2.gz YKVQFJUICPLHIW-GFCCVEGCSA-N 2 0 291.395 1.577 20 30 CDEDRP C=CC[NH+]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981332390 613690073 /nfs/dbraw/zinc/69/00/73/613690073.db2.gz WJTSTYMPDZVSLS-MRXNPFEDSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000962052704 613841686 /nfs/dbraw/zinc/84/16/86/613841686.db2.gz QZVSIWNUPKLPDK-FVQHAEBGSA-N 2 0 299.418 1.594 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000965841843 613857816 /nfs/dbraw/zinc/85/78/16/613857816.db2.gz KSNLXALBHUGOLC-DPGVGJJJSA-N 2 0 291.439 1.531 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1cnn(C)c1C1CC1 ZINC000894638514 619000386 /nfs/dbraw/zinc/00/03/86/619000386.db2.gz CSFLRVSZNQJRRP-UHFFFAOYSA-N 2 0 260.385 1.342 20 30 CDEDRP C#CCN(C)CCC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000894863811 619107660 /nfs/dbraw/zinc/10/76/60/619107660.db2.gz UPCYMGFOXQWIOX-OAHLLOKOSA-N 2 0 277.412 1.630 20 30 CDEDRP C#CC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000895491272 619692722 /nfs/dbraw/zinc/69/27/22/619692722.db2.gz ZYYBBMBNJLLHIH-CGTJXYLNSA-N 2 0 286.419 1.871 20 30 CDEDRP C=CC[C@@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903132253 625861781 /nfs/dbraw/zinc/86/17/81/625861781.db2.gz OYJPLUJWPMHXAQ-WPXLMEDKSA-N 2 0 264.413 1.918 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1OC ZINC000911665750 629385431 /nfs/dbraw/zinc/38/54/31/629385431.db2.gz SYZVYKDNUIHABO-KGLIPLIRSA-N 2 0 291.395 1.495 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000911813588 629507007 /nfs/dbraw/zinc/50/70/07/629507007.db2.gz YXFOQGKRYKEYAD-KBPBESRZSA-N 2 0 269.433 1.885 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000912807477 630219174 /nfs/dbraw/zinc/21/91/74/630219174.db2.gz LAQMUJSIDOECLX-ZFWWWQNUSA-N 2 0 281.444 1.683 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129411268 1162471397 /nfs/dbraw/zinc/47/13/97/1162471397.db2.gz YOXZSHZJIHMOIC-ZDUSSCGKSA-N 2 0 287.835 1.708 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129840848 1162500950 /nfs/dbraw/zinc/50/09/50/1162500950.db2.gz KQRSEMQURKMSHA-AWEZNQCLSA-N 2 0 267.417 1.533 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001130656445 1162687162 /nfs/dbraw/zinc/68/71/62/1162687162.db2.gz QHUHELUIGKUSNB-UHFFFAOYSA-N 2 0 292.770 1.715 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130709270 1162697000 /nfs/dbraw/zinc/69/70/00/1162697000.db2.gz YYPAYYVMNSDXHJ-HNNXBMFYSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001088426139 1160403645 /nfs/dbraw/zinc/40/36/45/1160403645.db2.gz MHUOXRPGLKEPQX-HNNXBMFYSA-N 2 0 277.412 1.076 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001752814538 1160498375 /nfs/dbraw/zinc/49/83/75/1160498375.db2.gz IPYNDWGZUMOJKN-INIZCTEOSA-N 2 0 293.455 1.877 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001483934300 1161242786 /nfs/dbraw/zinc/24/27/86/1161242786.db2.gz OCIHKDORYHSWSE-AWEZNQCLSA-N 2 0 299.846 1.804 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132250273 1163212806 /nfs/dbraw/zinc/21/28/06/1163212806.db2.gz ZVAMVOWOOFKAEB-GJZGRUSLSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132884626 1163499483 /nfs/dbraw/zinc/49/94/83/1163499483.db2.gz STYMRUKROWVZKU-CABCVRRESA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132931814 1163511666 /nfs/dbraw/zinc/51/16/66/1163511666.db2.gz DLTXPPVCCKCBJA-HUUCEWRRSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001134045537 1164026239 /nfs/dbraw/zinc/02/62/39/1164026239.db2.gz KPGGNCCWYBMLGI-CHWSQXEVSA-N 2 0 276.384 1.196 20 30 CDEDRP C=CC[C@@H](C(=O)OC)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC001574887813 1171037221 /nfs/dbraw/zinc/03/72/21/1171037221.db2.gz CMYQKLKPMLXMJL-GJZGRUSLSA-N 2 0 280.412 1.816 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001690484342 1175479617 /nfs/dbraw/zinc/47/96/17/1175479617.db2.gz PIUXNIOAIINCOL-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001753189442 1182232213 /nfs/dbraw/zinc/23/22/13/1182232213.db2.gz LRGKZYKXIKQIBM-ZDUSSCGKSA-N 2 0 285.819 1.129 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001752939789 1184970740 /nfs/dbraw/zinc/97/07/40/1184970740.db2.gz ZMDNLBNHRKFQHF-HZPDHXFCSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001753073625 1185040023 /nfs/dbraw/zinc/04/00/23/1185040023.db2.gz GFSHXRJBAKVLLU-UONOGXRCSA-N 2 0 267.417 1.341 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001753111591 1185067158 /nfs/dbraw/zinc/06/71/58/1185067158.db2.gz LEATXTGQJTWDEN-CABCVRRESA-N 2 0 279.428 1.321 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[NH+](CCC)CCC)CC1 ZINC001753150493 1185086269 /nfs/dbraw/zinc/08/62/69/1185086269.db2.gz KNXTVEBPZSJRGH-UHFFFAOYSA-N 2 0 293.455 1.570 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001753323118 1185154934 /nfs/dbraw/zinc/15/49/34/1185154934.db2.gz LNEARZDYAHGBAH-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001753359067 1185168462 /nfs/dbraw/zinc/16/84/62/1185168462.db2.gz HVUSOHSIZFFCNL-INIZCTEOSA-N 2 0 291.439 1.132 20 30 CDEDRP C=C(C)CC[NH+]1CC(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001753392041 1185182877 /nfs/dbraw/zinc/18/28/77/1185182877.db2.gz IAOZIIRUWPYORG-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CC[NH2+]C[C@](C)(NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001753524000 1185247761 /nfs/dbraw/zinc/24/77/61/1185247761.db2.gz VBOCKYLHQRJRPZ-INIZCTEOSA-N 2 0 279.428 1.389 20 30 CDEDRP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001753694822 1185304735 /nfs/dbraw/zinc/30/47/35/1185304735.db2.gz HGAPWVXGCSAXBM-GOEBONIOSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CCCC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001754272798 1185544309 /nfs/dbraw/zinc/54/43/09/1185544309.db2.gz SFJLDKDAERPXAP-HNNXBMFYSA-N 2 0 293.455 1.923 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001754673758 1185701089 /nfs/dbraw/zinc/70/10/89/1185701089.db2.gz GVTSUQZLHRBJGY-ZBFHGGJFSA-N 2 0 299.434 1.823 20 30 CDEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001755388137 1185939129 /nfs/dbraw/zinc/93/91/29/1185939129.db2.gz XYUYCEHEGBFBSU-CYBMUJFWSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001086711670 1163869333 /nfs/dbraw/zinc/86/93/33/1163869333.db2.gz XCVPASAECCOIBN-XHSDSOJGSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001020432151 844309780 /nfs/dbraw/zinc/30/97/80/844309780.db2.gz CSVGYSWLMJLCSU-RBSFLKMASA-N 2 0 277.412 1.284 20 30 CDEDRP CCO[C@H](CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)C(C)C ZINC000304771359 844324701 /nfs/dbraw/zinc/32/47/01/844324701.db2.gz AAHZOKNTVUPMAI-LSDHHAIUSA-N 2 0 298.475 1.826 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001028692920 844399338 /nfs/dbraw/zinc/39/93/38/844399338.db2.gz DNHPAJBOQJEKSY-CQSZACIVSA-N 2 0 296.374 1.409 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001032413871 844567563 /nfs/dbraw/zinc/56/75/63/844567563.db2.gz ULLNRHBVEMQGNV-YHUYYLMFSA-N 2 0 291.439 1.578 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001020926138 842992502 /nfs/dbraw/zinc/99/25/02/842992502.db2.gz BQMMUBSPLPATSO-KLHDSHLOSA-N 2 0 293.455 1.920 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001034734797 843085097 /nfs/dbraw/zinc/08/50/97/843085097.db2.gz ZERQTBMXLDNXLN-BZUAXINKSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2ccnc2C)C[C@@H]1CC ZINC001037972814 843092829 /nfs/dbraw/zinc/09/28/29/843092829.db2.gz GPEKJYQVOOEKTO-LSDHHAIUSA-N 2 0 288.395 1.041 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001000711052 843350785 /nfs/dbraw/zinc/35/07/85/843350785.db2.gz NBAZLGNNZMYMCT-CYBMUJFWSA-N 2 0 297.830 1.415 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001054790102 843371241 /nfs/dbraw/zinc/37/12/41/843371241.db2.gz IIQXEZFLIIIFFU-HUUCEWRRSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C ZINC001039270145 843485010 /nfs/dbraw/zinc/48/50/10/843485010.db2.gz DPBADBPMGBMOSA-WTXIUTQJSA-N 2 0 291.439 1.768 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001022341054 843503862 /nfs/dbraw/zinc/50/38/62/843503862.db2.gz RADSWYQSPKDGQK-BETUJISGSA-N 2 0 282.347 1.126 20 30 CDEDRP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001024801255 843716929 /nfs/dbraw/zinc/71/69/29/843716929.db2.gz LSXXUAGRLZOPCS-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049553073 843727412 /nfs/dbraw/zinc/72/74/12/843727412.db2.gz XNHSJUVHJNPUOR-OAGGEKHMSA-N 2 0 293.455 1.968 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015597138 843788962 /nfs/dbraw/zinc/78/89/62/843788962.db2.gz NGFQLJJKCIJVHY-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH+]1CCC(N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001005665163 843821278 /nfs/dbraw/zinc/82/12/78/843821278.db2.gz UHWHJCDQZKTRMW-UHFFFAOYSA-N 2 0 296.374 1.504 20 30 CDEDRP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N(C)C[C@H]1CCOC1 ZINC000261645369 843824933 /nfs/dbraw/zinc/82/49/33/843824933.db2.gz LPXFYWRNDQSMDD-CQSZACIVSA-N 2 0 296.459 1.405 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001032405567 843830737 /nfs/dbraw/zinc/83/07/37/843830737.db2.gz JDLPQWMTFFJCGI-JYJNAYRXSA-N 2 0 289.423 1.189 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001022201968 843834106 /nfs/dbraw/zinc/83/41/06/843834106.db2.gz OSOGZGXUGIPILX-ZNMIVQPWSA-N 2 0 279.428 1.672 20 30 CDEDRP C=C(C)CCN1CC(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001031254857 843840388 /nfs/dbraw/zinc/84/03/88/843840388.db2.gz ZPNJXOBHMJBJMG-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049699330 843864604 /nfs/dbraw/zinc/86/46/04/843864604.db2.gz YUZPDVZHEUYCNI-BZUAXINKSA-N 2 0 291.439 1.271 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027449728 843870821 /nfs/dbraw/zinc/87/08/21/843870821.db2.gz GBQQJIAAZCMNJE-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001054969188 843881808 /nfs/dbraw/zinc/88/18/08/843881808.db2.gz OXURSNULUPHPHO-KGLIPLIRSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000999402920 843886483 /nfs/dbraw/zinc/88/64/83/843886483.db2.gz LKQKSWAKCNBFNO-UHFFFAOYSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014698597 843891842 /nfs/dbraw/zinc/89/18/42/843891842.db2.gz AFFTZECNVDCPAE-HOTGVXAUSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000997115208 844669845 /nfs/dbraw/zinc/66/98/45/844669845.db2.gz KDGCLSACKAJEHH-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(C(C)C)no1 ZINC000304764577 844810588 /nfs/dbraw/zinc/81/05/88/844810588.db2.gz YEAJQFXYUYLVIM-LBPRGKRZSA-N 2 0 293.415 1.687 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000985468859 844892756 /nfs/dbraw/zinc/89/27/56/844892756.db2.gz AWZMGIRFRSUVSD-UHFFFAOYSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001034776902 844926531 /nfs/dbraw/zinc/92/65/31/844926531.db2.gz BLXLUUVHXNKXJW-SHTZXODSSA-N 2 0 291.439 1.675 20 30 CDEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001054152145 844956867 /nfs/dbraw/zinc/95/68/67/844956867.db2.gz AOQIUHBTFJHTGB-NVXWUHKLSA-N 2 0 293.455 1.827 20 30 CDEDRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])NCCc2ccccc2)C1 ZINC000303901446 844969204 /nfs/dbraw/zinc/96/92/04/844969204.db2.gz SROJMFVORJUWLA-HNNXBMFYSA-N 2 0 288.439 1.865 20 30 CDEDRP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001028537880 845044712 /nfs/dbraw/zinc/04/47/12/845044712.db2.gz UOYXGCCWDHJOHU-GJZGRUSLSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994249955 845075673 /nfs/dbraw/zinc/07/56/73/845075673.db2.gz IBWDKNLQYBSGQZ-KBPBESRZSA-N 2 0 277.412 1.237 20 30 CDEDRP N#Cc1ccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)o1 ZINC000863642320 845104515 /nfs/dbraw/zinc/10/45/15/845104515.db2.gz WZRMLPUFHJFTSI-UHFFFAOYSA-N 2 0 255.321 1.942 20 30 CDEDRP C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001076046655 845143820 /nfs/dbraw/zinc/14/38/20/845143820.db2.gz FNVLPDIXSQWRSV-XJKSGUPXSA-N 2 0 294.358 1.114 20 30 CDEDRP C#CC[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033154297 845230249 /nfs/dbraw/zinc/23/02/49/845230249.db2.gz ZPMJQEFMSBZGDH-CVEARBPZSA-N 2 0 291.439 1.415 20 30 CDEDRP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000924952698 845275236 /nfs/dbraw/zinc/27/52/36/845275236.db2.gz YQNSYJNTEPSDES-LSDHHAIUSA-N 2 0 280.460 1.788 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000996679892 845381936 /nfs/dbraw/zinc/38/19/36/845381936.db2.gz RISXLYRXZAWOHU-AWEZNQCLSA-N 2 0 299.846 1.660 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052678578 845525824 /nfs/dbraw/zinc/52/58/24/845525824.db2.gz YJLASYKMUHCQRD-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001026605409 845530454 /nfs/dbraw/zinc/53/04/54/845530454.db2.gz OLSQXOHJVRAPRG-IYXRBSQSSA-N 2 0 265.401 1.141 20 30 CDEDRP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001049560919 845583683 /nfs/dbraw/zinc/58/36/83/845583683.db2.gz ZVEGWZSBAUFFRC-XHSDSOJGSA-N 2 0 289.423 1.169 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001007632846 845653304 /nfs/dbraw/zinc/65/33/04/845653304.db2.gz BYDVGBBGUKQANW-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999373492 845748311 /nfs/dbraw/zinc/74/83/11/845748311.db2.gz QHIZNWXTUWEWCI-ZIAGYGMSSA-N 2 0 265.401 1.093 20 30 CDEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000834494952 845763297 /nfs/dbraw/zinc/76/32/97/845763297.db2.gz RJMRMEXASGRXCE-ILXRZTDVSA-N 2 0 292.427 1.292 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033657316 845862150 /nfs/dbraw/zinc/86/21/50/845862150.db2.gz JTEYIKUOOJWLRC-AWEZNQCLSA-N 2 0 265.401 1.191 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001074709775 845904121 /nfs/dbraw/zinc/90/41/21/845904121.db2.gz PWIIGIQTJRMNCM-MELADBBJSA-N 2 0 267.417 1.482 20 30 CDEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001043740166 845941638 /nfs/dbraw/zinc/94/16/38/845941638.db2.gz CURQLEUNCCNHCX-UHFFFAOYSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001039438385 845969743 /nfs/dbraw/zinc/96/97/43/845969743.db2.gz SQFUZQTVYMNEIV-PMPSAXMXSA-N 2 0 293.455 1.968 20 30 CDEDRP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cn(C3C[NH2+]C3)nn2)C1 ZINC001574900138 1167642575 /nfs/dbraw/zinc/64/25/75/1167642575.db2.gz RPZABQOXQNDTKF-VXGBXAGGSA-N 2 0 261.373 1.257 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001039390168 846084957 /nfs/dbraw/zinc/08/49/57/846084957.db2.gz YOFWUQNDVQYEOE-PMPSAXMXSA-N 2 0 293.455 1.824 20 30 CDEDRP CC[C@@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000304989632 846153489 /nfs/dbraw/zinc/15/34/89/846153489.db2.gz COIZGJODNASBBS-CHWSQXEVSA-N 2 0 254.422 1.667 20 30 CDEDRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000923296484 846225476 /nfs/dbraw/zinc/22/54/76/846225476.db2.gz SXMUVQQEWLEWDC-LSDHHAIUSA-N 2 0 261.369 1.555 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001016692068 846250832 /nfs/dbraw/zinc/25/08/32/846250832.db2.gz ZIHMXNUPGYPZHL-HUUCEWRRSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cn2ccnc2C)[C@@H]1C ZINC000987533006 846272832 /nfs/dbraw/zinc/27/28/32/846272832.db2.gz SFCDCEUPFNXVGG-DGCLKSJQSA-N 2 0 296.802 1.523 20 30 CDEDRP CC(C)CCNC(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C ZINC000303779843 846366196 /nfs/dbraw/zinc/36/61/96/846366196.db2.gz KWHNXOOMWWWZTG-CYBMUJFWSA-N 2 0 256.438 1.913 20 30 CDEDRP C[NH+](C)CC1(O)CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000931481072 846394058 /nfs/dbraw/zinc/39/40/58/846394058.db2.gz CIIUBEIGMWGBJA-QWHCGFSZSA-N 2 0 251.374 1.067 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(C)c(C)s1 ZINC000304765178 846566530 /nfs/dbraw/zinc/56/65/30/846566530.db2.gz YYCCQYULTLVEQW-LBPRGKRZSA-N 2 0 295.456 1.649 20 30 CDEDRP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052394654 846606189 /nfs/dbraw/zinc/60/61/89/846606189.db2.gz ZRZDKRZEHCYUOM-OWCLPIDISA-N 2 0 291.439 1.321 20 30 CDEDRP C[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)C[NH+]1CCCCC1 ZINC000303261672 846671099 /nfs/dbraw/zinc/67/10/99/846671099.db2.gz OSCYDNTWQYAWQJ-ZIAGYGMSSA-N 2 0 282.432 1.192 20 30 CDEDRP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001034273016 846785135 /nfs/dbraw/zinc/78/51/35/846785135.db2.gz YKIMVYHJQQLRKE-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001025818371 846788377 /nfs/dbraw/zinc/78/83/77/846788377.db2.gz BDGHDTFCMTVKNS-OWYFMNJBSA-N 2 0 289.423 1.236 20 30 CDEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997867363 846858064 /nfs/dbraw/zinc/85/80/64/846858064.db2.gz NQIZJKRAVIDOAR-HOCLYGCPSA-N 2 0 291.439 1.178 20 30 CDEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=[NH2+])N2CCSCC2)C1 ZINC000303874217 847259646 /nfs/dbraw/zinc/25/96/46/847259646.db2.gz CXCUTJXTBFXRPO-OKILXGFUSA-N 2 0 298.500 1.718 20 30 CDEDRP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])N(C)C2CC2)C1 ZINC000305831075 847293498 /nfs/dbraw/zinc/29/34/98/847293498.db2.gz UGMCQXBTFLIYHW-CYBMUJFWSA-N 2 0 266.433 1.763 20 30 CDEDRP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCSCC2)C1 ZINC000261990308 847479995 /nfs/dbraw/zinc/47/99/95/847479995.db2.gz LRYYVYOFZQWTKE-ZDUSSCGKSA-N 2 0 284.473 1.470 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001076244716 847521480 /nfs/dbraw/zinc/52/14/80/847521480.db2.gz WJJXFVFPXKWUFS-HRCADAONSA-N 2 0 291.439 1.437 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(CCOC)CCC1 ZINC000305048660 847554096 /nfs/dbraw/zinc/55/40/96/847554096.db2.gz BRRYXAACRNMDHC-AWEZNQCLSA-N 2 0 296.459 1.582 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000986823563 847649451 /nfs/dbraw/zinc/64/94/51/847649451.db2.gz JVYOAYCGUNOKLJ-TZMCWYRMSA-N 2 0 299.846 1.660 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001832878 847809322 /nfs/dbraw/zinc/80/93/22/847809322.db2.gz IODLVHVDDJIZKU-HOCLYGCPSA-N 2 0 291.439 1.036 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000849023106 847821946 /nfs/dbraw/zinc/82/19/46/847821946.db2.gz LZRGEYSUTBOYSO-AWEZNQCLSA-N 2 0 290.411 1.962 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001022201985 847850572 /nfs/dbraw/zinc/85/05/72/847850572.db2.gz PHXVPTOCWCCMSI-QLFBSQMISA-N 2 0 277.412 1.119 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001036054553 847921171 /nfs/dbraw/zinc/92/11/71/847921171.db2.gz LRXJKWAUQGHEEW-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP CC[NH+]=C(NC[C@H]1CCCS1)NC[C@@H]1CC[N@H+](C)C1 ZINC000261932436 847971594 /nfs/dbraw/zinc/97/15/94/847971594.db2.gz BPQCKZMIJKONNN-QWHCGFSZSA-N 2 0 284.473 1.389 20 30 CDEDRP C#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001041680719 847993928 /nfs/dbraw/zinc/99/39/28/847993928.db2.gz VBMPMWXTGAATKI-NVXWUHKLSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CCOC1CCC([NH+]2CCN(CC[NH+](C)C)CC2)CC1 ZINC001173319328 912454529 /nfs/dbraw/zinc/45/45/29/912454529.db2.gz FSJPISUGCGEISI-UHFFFAOYSA-N 2 0 295.471 1.679 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127260313 913315595 /nfs/dbraw/zinc/31/55/95/913315595.db2.gz BFGDLKUQNVJEPO-CABCVRRESA-N 2 0 279.428 1.533 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127260314 913315809 /nfs/dbraw/zinc/31/58/09/913315809.db2.gz BFGDLKUQNVJEPO-GJZGRUSLSA-N 2 0 279.428 1.533 20 30 CDEDRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC#Cc2ccccc2)C1 ZINC001176071137 913918760 /nfs/dbraw/zinc/91/87/60/913918760.db2.gz CJVLPOIHCYXUGJ-QGZVFWFLSA-N 2 0 299.418 1.086 20 30 CDEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015596506 913943142 /nfs/dbraw/zinc/94/31/42/913943142.db2.gz CDICVVOGGYRHTL-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001167480509 896094366 /nfs/dbraw/zinc/09/43/66/896094366.db2.gz IMUGDQFANAMGKZ-UHFFFAOYSA-N 2 0 281.444 1.780 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001106660245 914106405 /nfs/dbraw/zinc/10/64/05/914106405.db2.gz HLYITASZURGGRY-OAGGEKHMSA-N 2 0 293.455 1.424 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106663005 914108718 /nfs/dbraw/zinc/10/87/18/914108718.db2.gz NDKWWPQLOJVRTF-RBSFLKMASA-N 2 0 279.428 1.341 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001225207419 902339459 /nfs/dbraw/zinc/33/94/59/902339459.db2.gz QNUDMBNPKVYOCW-UHFFFAOYSA-N 2 0 293.455 1.570 20 30 CDEDRP CC#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087797203 905851434 /nfs/dbraw/zinc/85/14/34/905851434.db2.gz CLBGSOVKKSCMLF-OWCLPIDISA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001494202458 921210024 /nfs/dbraw/zinc/21/00/24/921210024.db2.gz UTMSDGOBAZFFBP-MRXNPFEDSA-N 2 0 291.439 1.274 20 30 CDEDRP COCCC[NH+]1CCC(NC(=[NH2+])c2ccc(F)cn2)CC1 ZINC001172247214 911514285 /nfs/dbraw/zinc/51/42/85/911514285.db2.gz KCMNHIVVRQJRCD-UHFFFAOYSA-N 2 0 294.374 1.427 20 30 CDEDRP C[C@@H](CCCC#N)[NH2+]CC1CC[NH+](CCO)CC1 ZINC001172484081 911687407 /nfs/dbraw/zinc/68/74/07/911687407.db2.gz XGLAJIDRAOCLJB-ZDUSSCGKSA-N 2 0 253.390 1.363 20 30 CDEDRP CC(C)(C)OC(=O)N1CC[C@@H](NC(C)(C)C[NH3+])C[C@H]1C#N ZINC001172967596 912106362 /nfs/dbraw/zinc/10/63/62/912106362.db2.gz YPXJGAATKZUESG-NEPJUHHUSA-N 2 0 296.415 1.605 20 30 CDEDRP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001089619151 914999316 /nfs/dbraw/zinc/99/93/16/914999316.db2.gz KYBBQPYCMIZGBB-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107042290 917896555 /nfs/dbraw/zinc/89/65/55/917896555.db2.gz FLHIYKJPGUYSOW-HUUCEWRRSA-N 2 0 279.428 1.034 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001185514858 919638919 /nfs/dbraw/zinc/63/89/19/919638919.db2.gz BJYKOJAJJUNDFI-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001188138751 920855219 /nfs/dbraw/zinc/85/52/19/920855219.db2.gz BMSRVLHZAYLFHV-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033938275 922424823 /nfs/dbraw/zinc/42/48/23/922424823.db2.gz VIPOZVSVSVCKAA-JYJNAYRXSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001099118898 936780159 /nfs/dbraw/zinc/78/01/59/936780159.db2.gz FLATVKYMPNKTSJ-VYDXJSESSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001108165212 923299336 /nfs/dbraw/zinc/29/93/36/923299336.db2.gz CQWLBPIEVNSSNB-INIZCTEOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001193621575 923813135 /nfs/dbraw/zinc/81/31/35/923813135.db2.gz HXKDPBZEJBRDMZ-CYBMUJFWSA-N 2 0 253.390 1.047 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001080382576 924546885 /nfs/dbraw/zinc/54/68/85/924546885.db2.gz RYQOFZVROXFADK-UKRRQHHQSA-N 2 0 279.428 1.341 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001080456196 924575066 /nfs/dbraw/zinc/57/50/66/924575066.db2.gz SFZSPBNGNJWKKB-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001100785416 936937173 /nfs/dbraw/zinc/93/71/73/936937173.db2.gz JEXCTRCERKGVDO-UHFFFAOYSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001082507172 924950352 /nfs/dbraw/zinc/95/03/52/924950352.db2.gz GBMMDUFXXFOKEV-KFWWJZLASA-N 2 0 279.428 1.482 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345033 936969793 /nfs/dbraw/zinc/96/97/93/936969793.db2.gz QILUDKBLYGDMIX-WBVHZDCISA-N 2 0 291.439 1.132 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101397739 936970972 /nfs/dbraw/zinc/97/09/72/936970972.db2.gz FGRLKKZTAQVORA-WBVHZDCISA-N 2 0 293.455 1.685 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047428 937038928 /nfs/dbraw/zinc/03/89/28/937038928.db2.gz GUASZZUQDNZXTR-FVQBIDKESA-N 2 0 293.455 1.587 20 30 CDEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579882 937065554 /nfs/dbraw/zinc/06/55/54/937065554.db2.gz VKAOMQADMOGFKO-TZMCWYRMSA-N 2 0 299.846 1.519 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001086085498 926676383 /nfs/dbraw/zinc/67/63/83/926676383.db2.gz HTRLLJNLIPMSHJ-CAOSSQGBSA-N 2 0 291.439 1.531 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001086102340 926705587 /nfs/dbraw/zinc/70/55/87/926705587.db2.gz RXUUHVODYMMSBQ-XHSDSOJGSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086497267 927214486 /nfs/dbraw/zinc/21/44/86/927214486.db2.gz FDBWZAUMBBHJMC-BZUAXINKSA-N 2 0 291.439 1.367 20 30 CDEDRP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CCC)C1 ZINC001103663477 937150421 /nfs/dbraw/zinc/15/04/21/937150421.db2.gz CXUWPLNNABEAPX-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149891255 937209741 /nfs/dbraw/zinc/20/97/41/937209741.db2.gz YBEVMZLCZZKUSD-LSDHHAIUSA-N 2 0 297.443 1.110 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858809 929935222 /nfs/dbraw/zinc/93/52/22/929935222.db2.gz YVESXRINTYIKON-HUUCEWRRSA-N 2 0 291.439 1.511 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135481352 930218728 /nfs/dbraw/zinc/21/87/28/930218728.db2.gz UAUBLWLXNNBKES-HUUCEWRRSA-N 2 0 295.471 1.861 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001170876087 930596905 /nfs/dbraw/zinc/59/69/05/930596905.db2.gz BRLVAFCFOGIQJT-MRXNPFEDSA-N 2 0 289.423 1.961 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001091144148 931852575 /nfs/dbraw/zinc/85/25/75/931852575.db2.gz JDJLXTYUTCCMPS-UHFFFAOYSA-N 2 0 282.347 1.066 20 30 CDEDRP C#Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001144572120 931908114 /nfs/dbraw/zinc/90/81/14/931908114.db2.gz QLRQLDYYOFEBKN-RBUKOAKNSA-N 2 0 297.446 1.878 20 30 CDEDRP C=CCOC1CCC([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246639768 932165275 /nfs/dbraw/zinc/16/52/75/932165275.db2.gz QPNLIGNFRNTFOR-NEXFUWMNSA-N 2 0 250.386 1.936 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC=C)CC1 ZINC001146571077 932266850 /nfs/dbraw/zinc/26/68/50/932266850.db2.gz KRFQXRRNNFEYFL-CABCVRRESA-N 2 0 291.439 1.391 20 30 CDEDRP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146593574 932270670 /nfs/dbraw/zinc/27/06/70/932270670.db2.gz QCYLDKPDJPEAIS-LSDHHAIUSA-N 2 0 299.459 1.402 20 30 CDEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001147225284 932453035 /nfs/dbraw/zinc/45/30/35/932453035.db2.gz HQBBBSKDDZOTRF-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)CCC[NH+](CCC)CCC ZINC001147449256 932518116 /nfs/dbraw/zinc/51/81/16/932518116.db2.gz LPUQJXKAQANFJA-UHFFFAOYSA-N 2 0 281.444 1.618 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)Cc1[nH]cnc1C ZINC001149124979 932563568 /nfs/dbraw/zinc/56/35/68/932563568.db2.gz ZMSPXODEONANQX-LLVKDONJSA-N 2 0 264.373 1.321 20 30 CDEDRP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001148277627 932689478 /nfs/dbraw/zinc/68/94/78/932689478.db2.gz JCITWYYGGUPBSU-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115450494 934108717 /nfs/dbraw/zinc/10/87/17/934108717.db2.gz CZNNAYRCGHFAML-HNNXBMFYSA-N 2 0 291.439 1.513 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001490841151 934361053 /nfs/dbraw/zinc/36/10/53/934361053.db2.gz GEIHPVWCQKEBIU-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])NCCC(C)C ZINC000304824033 935089904 /nfs/dbraw/zinc/08/99/04/935089904.db2.gz FFJDUTPKWUNURE-ZDUSSCGKSA-N 2 0 272.437 1.294 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001121916488 937890011 /nfs/dbraw/zinc/89/00/11/937890011.db2.gz AHCQRRZQCXKFRY-UONOGXRCSA-N 2 0 265.401 1.367 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156373874 938359386 /nfs/dbraw/zinc/35/93/86/938359386.db2.gz CNJFOSWWPFOMAP-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157799312 938547345 /nfs/dbraw/zinc/54/73/45/938547345.db2.gz KAORGCCDEFRBFE-RDBSUJKOSA-N 2 0 267.417 1.646 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001159329082 938722428 /nfs/dbraw/zinc/72/24/28/938722428.db2.gz YFCQJKYOLAGARX-AWEZNQCLSA-N 2 0 267.417 1.533 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ncccc1C#N ZINC001163122681 939206011 /nfs/dbraw/zinc/20/60/11/939206011.db2.gz PNZQMKMGVKHGCK-UHFFFAOYSA-N 2 0 260.345 1.231 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001164449401 939474015 /nfs/dbraw/zinc/47/40/15/939474015.db2.gz KHRYNSLYFLYOAM-AWEZNQCLSA-N 2 0 267.417 1.390 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165262733 939536212 /nfs/dbraw/zinc/53/62/12/939536212.db2.gz JLSVKOWZJHIHGP-AWEZNQCLSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001166692827 939627752 /nfs/dbraw/zinc/62/77/52/939627752.db2.gz QFTZESKTFRULLW-ZIAGYGMSSA-N 2 0 267.417 1.246 20 30 CDEDRP C[C@@H]1CC[N@H+](Cc2cncc(C#N)c2)CC[C@H]1C[NH3+] ZINC001205625941 939910151 /nfs/dbraw/zinc/91/01/51/939910151.db2.gz CRXBVEDDGIXMEI-DOMZBBRYSA-N 2 0 258.369 1.760 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001206282702 940011431 /nfs/dbraw/zinc/01/14/31/940011431.db2.gz WSLHUGNCCNMAPN-GOEBONIOSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCOc1ccccc1CN1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206470244 940044639 /nfs/dbraw/zinc/04/46/39/940044639.db2.gz VHJXJGCHJQQKQL-UONOGXRCSA-N 2 0 262.353 1.003 20 30 CDEDRP C=CCN1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208106670 940290076 /nfs/dbraw/zinc/29/00/76/940290076.db2.gz JKVZNRVHIBFFSW-UHFFFAOYSA-N 2 0 251.418 1.522 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001208574600 940343485 /nfs/dbraw/zinc/34/34/85/940343485.db2.gz BFINPXKUHRLRHT-OAGGEKHMSA-N 2 0 293.455 1.567 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001209632974 940620361 /nfs/dbraw/zinc/62/03/61/940620361.db2.gz QNAPSSDQAZAOOC-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001209669638 940624695 /nfs/dbraw/zinc/62/46/95/940624695.db2.gz RFBATQGOTQOROV-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210032871 940658697 /nfs/dbraw/zinc/65/86/97/940658697.db2.gz CMZXWUGTHKPUSZ-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210433879 940690823 /nfs/dbraw/zinc/69/08/23/940690823.db2.gz ZVSKAGQXPVLMJO-HUUCEWRRSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216829511 940967922 /nfs/dbraw/zinc/96/79/22/940967922.db2.gz ZJYRRWIQTVNGTA-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC1(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCCCC1 ZINC001221276451 941509300 /nfs/dbraw/zinc/50/93/00/941509300.db2.gz YUAMGQZWCYESSD-CQSZACIVSA-N 2 0 289.423 1.313 20 30 CDEDRP N#Cc1ccc(CCC[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001222086038 941561475 /nfs/dbraw/zinc/56/14/75/941561475.db2.gz REJTYUNHQHCZLZ-UHFFFAOYSA-N 2 0 298.434 1.518 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001224545991 941768036 /nfs/dbraw/zinc/76/80/36/941768036.db2.gz DXECKFOPTHCPMO-AWEZNQCLSA-N 2 0 279.428 1.342 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@@H+](C)CC ZINC001316607006 942502507 /nfs/dbraw/zinc/50/25/07/942502507.db2.gz MTFQCFKICKPTMT-CQSZACIVSA-N 2 0 267.417 1.437 20 30 CDEDRP N#Cc1ccc(N2CC[NH+](CCCC[NH3+])CC2)c(F)c1 ZINC001236059219 944394777 /nfs/dbraw/zinc/39/47/77/944394777.db2.gz CJPQHEXZSCZHJM-UHFFFAOYSA-N 2 0 276.359 1.558 20 30 CDEDRP C=CCCCCCC[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246024545 947903415 /nfs/dbraw/zinc/90/34/15/947903415.db2.gz USCRKBYTJWOHIK-ZNMIVQPWSA-N 2 0 270.417 1.125 20 30 CDEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246306629 948095715 /nfs/dbraw/zinc/09/57/15/948095715.db2.gz XZAMSAZIBCRIKP-GXFFZTMASA-N 2 0 275.352 1.319 20 30 CDEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246540249 948240582 /nfs/dbraw/zinc/24/05/82/948240582.db2.gz DABICXRPRQXEDD-WMLDXEAASA-N 2 0 287.407 1.665 20 30 CDEDRP C#CCOC[C@H](O)C[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001251887759 950919328 /nfs/dbraw/zinc/91/93/28/950919328.db2.gz IPSCROZTFYDWHB-HUUCEWRRSA-N 2 0 270.417 1.097 20 30 CDEDRP C=CCC[C@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001252618387 951512174 /nfs/dbraw/zinc/51/21/74/951512174.db2.gz UCSDRNVVISIMIC-XGUBFFRZSA-N 2 0 252.402 1.918 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001491833984 955458946 /nfs/dbraw/zinc/45/89/46/955458946.db2.gz XFDKRKGYGVOIKF-HZPDHXFCSA-N 2 0 295.471 1.977 20 30 CDEDRP CC[NH+](CC)CC[C@@H](C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC001342631104 963780045 /nfs/dbraw/zinc/78/00/45/963780045.db2.gz NBRFYNRHUQVYDI-OLZOCXBDSA-N 2 0 268.405 1.244 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001444321912 965792806 /nfs/dbraw/zinc/79/28/06/965792806.db2.gz KIOWQUVZKUTUFK-LLVKDONJSA-N 2 0 287.835 1.565 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CCCOC)CC1 ZINC001353536018 968054297 /nfs/dbraw/zinc/05/42/97/968054297.db2.gz XDXCZDWXPGRRPV-OAHLLOKOSA-N 2 0 297.443 1.287 20 30 CDEDRP C[C@H](CC[NH2+]CCC(=O)Nc1cccc(C#N)c1)[NH+](C)C ZINC001356594239 969439580 /nfs/dbraw/zinc/43/95/80/969439580.db2.gz CGHJDXQSWFYBMS-CYBMUJFWSA-N 2 0 288.395 1.817 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001378601451 975412375 /nfs/dbraw/zinc/41/23/75/975412375.db2.gz MLXMNTWYOKDBQL-WCQYABFASA-N 2 0 289.851 1.667 20 30 CDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[N@@H+](C)C(C)C ZINC001574857420 1171029751 /nfs/dbraw/zinc/02/97/51/1171029751.db2.gz SQIKBKUDXLTBDE-LLVKDONJSA-N 2 0 261.797 1.303 20 30 CDEDRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H](O)CC1(C#N)CC1 ZINC001575453561 1171176358 /nfs/dbraw/zinc/17/63/58/1171176358.db2.gz RQZWEQHMFFXIDF-QWHCGFSZSA-N 2 0 253.390 1.346 20 30 CDEDRP C=CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000439075099 361793393 /nfs/dbraw/zinc/79/33/93/361793393.db2.gz ZOLHLXBYYFLYCO-HUUCEWRRSA-N 2 0 252.402 1.778 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000068775248 342182661 /nfs/dbraw/zinc/18/26/61/342182661.db2.gz KIZXQVCSQFLDEW-UHFFFAOYSA-N 2 0 291.439 1.274 20 30 CDEDRP CC[NH+]1CCN([C@@H]2CCN(CC3(C#N)CCC3)C2)CC1 ZINC000595311383 343032868 /nfs/dbraw/zinc/03/28/68/343032868.db2.gz GGDIKRIWYJLULH-OAHLLOKOSA-N 2 0 276.428 1.392 20 30 CDEDRP N#C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000442765383 362088647 /nfs/dbraw/zinc/08/86/47/362088647.db2.gz JKUUMHCNPJDBRB-FMKPAKJESA-N 2 0 277.412 1.769 20 30 CDEDRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000595936199 343201643 /nfs/dbraw/zinc/20/16/43/343201643.db2.gz NWZUDCHCWGIGHA-OLZOCXBDSA-N 2 0 280.416 1.244 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(C#N)cs1 ZINC000084187586 342378362 /nfs/dbraw/zinc/37/83/62/342378362.db2.gz OWEOKZUIEUCAIQ-UHFFFAOYSA-N 2 0 294.424 1.185 20 30 CDEDRP C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1=CC[N@H+](C)CC1 ZINC000598724032 343885351 /nfs/dbraw/zinc/88/53/51/343885351.db2.gz LGXYCVBHLWBYEJ-GXTWGEPZSA-N 2 0 265.401 1.527 20 30 CDEDRP C[C@H](CCC#N)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000602594219 344487443 /nfs/dbraw/zinc/48/74/43/344487443.db2.gz VWUOGTVSTZIIBY-CQSZACIVSA-N 2 0 252.406 1.153 20 30 CDEDRP C=CCNC(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531383 362402465 /nfs/dbraw/zinc/40/24/65/362402465.db2.gz PAGAHTTUBLXTAY-UHFFFAOYSA-N 2 0 267.417 1.487 20 30 CDEDRP N#Cc1cccc(NC(=O)CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000603910544 344843940 /nfs/dbraw/zinc/84/39/40/344843940.db2.gz UAOGFFNEELNOGK-OKILXGFUSA-N 2 0 284.363 1.038 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@@H](C)CC)CC1 ZINC000066124851 347477735 /nfs/dbraw/zinc/47/77/35/347477735.db2.gz LTYZKULULXWISW-AWEZNQCLSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CCN(C)CCC[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000380827466 358196316 /nfs/dbraw/zinc/19/63/16/358196316.db2.gz IEIBIFNUMDQORI-OAHLLOKOSA-N 2 0 264.344 1.404 20 30 CDEDRP C=CCN(CC=C)C(=O)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000277318894 359560533 /nfs/dbraw/zinc/56/05/33/359560533.db2.gz VAIPXUPJZXOCMI-OAHLLOKOSA-N 2 0 279.428 1.603 20 30 CDEDRP C=CCN1CC[C@H](N2CC[C@H](C[NH+](CC)CC)C2)C1=O ZINC000337171998 360008176 /nfs/dbraw/zinc/00/81/76/360008176.db2.gz GHQWXDXSXIMISY-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCN1CC[C@H]([NH+]2CCC(CCC[NH+](C)C)CC2)C1=O ZINC000337187233 360031394 /nfs/dbraw/zinc/03/13/94/360031394.db2.gz PXAZIIJUIVEEOG-INIZCTEOSA-N 2 0 293.455 1.827 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC(NC3C[NH2+]C3)CC2)cc1 ZINC000580946158 363955864 /nfs/dbraw/zinc/95/58/64/363955864.db2.gz CEDZLOQQJILLSE-UHFFFAOYSA-N 2 0 270.380 1.084 20 30 CDEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCCCC#N)C2)CC1 ZINC000525170939 367712412 /nfs/dbraw/zinc/71/24/12/367712412.db2.gz AQFBAWXPHYZXBB-MRXNPFEDSA-N 2 0 278.444 1.781 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)c1sccc1C[NH+](C)C ZINC000293995968 370895569 /nfs/dbraw/zinc/89/55/69/370895569.db2.gz OLIZDSNXRGVZOS-UHFFFAOYSA-N 2 0 293.436 1.495 20 30 CDEDRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)N(C)CCC#N)C1 ZINC000131752816 369151084 /nfs/dbraw/zinc/15/10/84/369151084.db2.gz IFMQSXFFLJXCOK-HNNXBMFYSA-N 2 0 294.443 1.412 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001661833093 1172451840 /nfs/dbraw/zinc/45/18/40/1172451840.db2.gz VYVBTEMNQWKPQU-JKSUJKDBSA-N 2 0 293.455 1.424 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)NC1CC1 ZINC000195165147 375990731 /nfs/dbraw/zinc/99/07/31/375990731.db2.gz PWWLDCFCIFMXJF-HNNXBMFYSA-N 2 0 286.423 1.836 20 30 CDEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=[NH2+])N2CCC(C)CC2)C1 ZINC000194684840 378441089 /nfs/dbraw/zinc/44/10/89/378441089.db2.gz XXYQUJBYKOBLMP-HNNXBMFYSA-N 2 0 296.459 1.390 20 30 CDEDRP C=C[C@H](CO)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000657791363 413026447 /nfs/dbraw/zinc/02/64/47/413026447.db2.gz VZIJPPUIVIVORC-CQSZACIVSA-N 2 0 264.369 1.264 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000491645976 391182871 /nfs/dbraw/zinc/18/28/71/391182871.db2.gz QVQXKTVXSBAOEL-CYBMUJFWSA-N 2 0 250.390 1.198 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(CO)c1 ZINC000178567709 391188238 /nfs/dbraw/zinc/18/82/38/391188238.db2.gz NHEWAFHIOGLGPI-OAHLLOKOSA-N 2 0 290.411 1.068 20 30 CDEDRP C[NH+]=C(NCCC1CC[NH+](C)CC1)N(C)Cc1ccon1 ZINC000261732883 391687196 /nfs/dbraw/zinc/68/71/96/391687196.db2.gz JRECTBLZSGHUHI-UHFFFAOYSA-N 2 0 293.415 1.414 20 30 CDEDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442721844 391746365 /nfs/dbraw/zinc/74/63/65/391746365.db2.gz WAZBDIZHANWBED-RBSFLKMASA-N 2 0 264.417 1.294 20 30 CDEDRP N#Cc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000237975871 131069766 /nfs/dbraw/zinc/06/97/66/131069766.db2.gz TVPWMFKKNFSUAU-QGZVFWFLSA-N 2 0 287.407 1.885 20 30 CDEDRP C=CC[C@@]1(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000662887522 413660024 /nfs/dbraw/zinc/66/00/24/413660024.db2.gz ZFEBIAGOERFUGH-WBVHZDCISA-N 2 0 293.455 1.921 20 30 CDEDRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])NCCOC ZINC000161479322 261247914 /nfs/dbraw/zinc/24/79/14/261247914.db2.gz RXDRGLOWHGNZMN-UHFFFAOYSA-N 2 0 292.427 1.579 20 30 CDEDRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185774136 262069590 /nfs/dbraw/zinc/06/95/90/262069590.db2.gz DSIWWDXYDAXGTQ-GOEBONIOSA-N 2 0 278.444 1.684 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)C[NH3+])C(C)C ZINC000417060343 263779346 /nfs/dbraw/zinc/77/93/46/263779346.db2.gz JVNIOZCGPWPVGM-ZIAGYGMSSA-N 2 0 282.432 1.331 20 30 CDEDRP C[NH+]=C(NC[C@@H](C)[N@H+](C)C1CC1)N1CCSC(C)(C)C1 ZINC000126866098 264229311 /nfs/dbraw/zinc/22/93/11/264229311.db2.gz YGOVJDULXJXAIA-GFCCVEGCSA-N 2 0 298.500 1.872 20 30 CDEDRP C[NH+]=C(NCc1ccn(C)c1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262018984 328143868 /nfs/dbraw/zinc/14/38/68/328143868.db2.gz YJWZCUAQYLFNEM-IUODEOHRSA-N 2 0 289.427 1.173 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000366670116 328256260 /nfs/dbraw/zinc/25/62/60/328256260.db2.gz HEFNIEJQUZVYKX-CZUORRHYSA-N 2 0 277.412 1.143 20 30 CDEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170907970 329072134 /nfs/dbraw/zinc/07/21/34/329072134.db2.gz OIMJSAYMIVRDPI-ZDUSSCGKSA-N 2 0 291.399 1.165 20 30 CDEDRP C=CCNC(=O)[C@H](C)N1CCC([NH2+]C(C)C)CC1 ZINC000171690376 329078198 /nfs/dbraw/zinc/07/81/98/329078198.db2.gz ZTYXJVVWZCFFHA-LBPRGKRZSA-N 2 0 253.390 1.140 20 30 CDEDRP C[NH+]=C(NC[C@H]1CCCS1)NCC(C)(C)[NH+](C)C ZINC000261944876 329990188 /nfs/dbraw/zinc/99/01/88/329990188.db2.gz FMVSHXPQQQUKBQ-LLVKDONJSA-N 2 0 272.462 1.387 20 30 CDEDRP CC[N@H+](C)Cc1cccc(CNC2=[NH+]CCN2C)c1 ZINC000262665691 330025356 /nfs/dbraw/zinc/02/53/56/330025356.db2.gz OMWVQWRSFDBUHS-UHFFFAOYSA-N 2 0 260.385 1.529 20 30 CDEDRP [NH2+]=C(NC[C@H]1CCCC[N@@H+]1C1CC1)NC1CCC1 ZINC000263128669 330045008 /nfs/dbraw/zinc/04/50/08/330045008.db2.gz MTZRSQKTPJHQON-CYBMUJFWSA-N 2 0 250.390 1.460 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000423367899 330194749 /nfs/dbraw/zinc/19/47/49/330194749.db2.gz ATRVZQNTPSPIBA-JSGCOSHPSA-N 2 0 265.401 1.141 20 30 CDEDRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000424085652 330223264 /nfs/dbraw/zinc/22/32/64/330223264.db2.gz ZIDOEYRDUJNIBU-ZWNOBZJWSA-N 2 0 260.341 1.666 20 30 CDEDRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424138018 330275062 /nfs/dbraw/zinc/27/50/62/330275062.db2.gz CSGQVOYXVFFKDT-KGLIPLIRSA-N 2 0 280.416 1.102 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)NCCCCC[NH+]1CCCCC1 ZINC000424148945 330295589 /nfs/dbraw/zinc/29/55/89/330295589.db2.gz VKKMVDZBUAOYMV-HNNXBMFYSA-N 2 0 294.443 1.780 20 30 CDEDRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424160791 330306275 /nfs/dbraw/zinc/30/62/75/330306275.db2.gz UVDLPVACLUDVNA-CABCVRRESA-N 2 0 294.443 1.778 20 30 CDEDRP C=CC[C@@H](C)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433154448 330618367 /nfs/dbraw/zinc/61/83/67/330618367.db2.gz UCZYVCGOPRTFLL-GFCCVEGCSA-N 2 0 253.390 1.271 20 30 CDEDRP CC[NH+](CC)CCOCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442846328 330786555 /nfs/dbraw/zinc/78/65/55/330786555.db2.gz YXBWVYUIHCNTMV-KGLIPLIRSA-N 2 0 253.390 1.627 20 30 CDEDRP C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc2c[nH+]cn2c1 ZINC000491393710 332203578 /nfs/dbraw/zinc/20/35/78/332203578.db2.gz JPCAKKQUIIYBMU-HNNXBMFYSA-N 2 0 283.331 1.589 20 30 CDEDRP C#CC[NH+](C)CCCNC(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000491643441 332262151 /nfs/dbraw/zinc/26/21/51/332262151.db2.gz FTSNMNDSVNYPSW-CABCVRRESA-N 2 0 294.443 1.066 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001752815287 1160498226 /nfs/dbraw/zinc/49/82/26/1160498226.db2.gz PDDHQRMEMJORPD-OAHLLOKOSA-N 2 0 281.444 1.731 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)C2([NH+](C)C)CC2)CC1 ZINC000668370421 482397683 /nfs/dbraw/zinc/39/76/83/482397683.db2.gz XEUOYFZCERGSAR-UHFFFAOYSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000665946470 482864018 /nfs/dbraw/zinc/86/40/18/482864018.db2.gz ZOBOCWYXXKSAGM-HNNXBMFYSA-N 2 0 296.459 1.620 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000669465234 483173011 /nfs/dbraw/zinc/17/30/11/483173011.db2.gz BMWXRUGSXLLYRJ-CYBMUJFWSA-N 2 0 280.416 1.078 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105945112 1161008381 /nfs/dbraw/zinc/00/83/81/1161008381.db2.gz LGDMHAWIFVUZKY-RBSFLKMASA-N 2 0 279.428 1.341 20 30 CDEDRP C#CCC[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001752788454 1184914315 /nfs/dbraw/zinc/91/43/15/1184914315.db2.gz JYHLFUISUIKDRU-OAHLLOKOSA-N 2 0 279.428 1.180 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001113345662 1162159064 /nfs/dbraw/zinc/15/90/64/1162159064.db2.gz BBZMSGFRVNBTKW-GJZGRUSLSA-N 2 0 279.428 1.295 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[NH2+][C@H](C)[C@H]2C)CC1 ZINC000334893155 526429330 /nfs/dbraw/zinc/42/93/30/526429330.db2.gz SKLIMQOKFIQREJ-CHWSQXEVSA-N 2 0 280.416 1.029 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000764429281 575906470 /nfs/dbraw/zinc/90/64/70/575906470.db2.gz YKYCNVUSBQLRIS-KBPBESRZSA-N 2 0 295.471 1.977 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000743491281 576642800 /nfs/dbraw/zinc/64/28/00/576642800.db2.gz ZZDILOCCUQRDGU-OAHLLOKOSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948743295 613161388 /nfs/dbraw/zinc/16/13/88/613161388.db2.gz QGPHKKUXZAIUHU-MRXNPFEDSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942256118 613257189 /nfs/dbraw/zinc/25/71/89/613257189.db2.gz CXFULVBHZRKSBS-GJZGRUSLSA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971201497 613284396 /nfs/dbraw/zinc/28/43/96/613284396.db2.gz OKYDBNJBWOFABT-KGLIPLIRSA-N 2 0 265.401 1.189 20 30 CDEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000971526278 613290441 /nfs/dbraw/zinc/29/04/41/613290441.db2.gz WLKQBXFRUNKSNT-JKSUJKDBSA-N 2 0 293.455 1.968 20 30 CDEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000969792527 613301641 /nfs/dbraw/zinc/30/16/41/613301641.db2.gz KEKSLEFWEZHVNG-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000981456447 613309715 /nfs/dbraw/zinc/30/97/15/613309715.db2.gz BBVQAJBCCCPAHZ-HNNXBMFYSA-N 2 0 279.428 1.581 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000969451112 613348821 /nfs/dbraw/zinc/34/88/21/613348821.db2.gz KHNZZFLNGBNQBR-CVEARBPZSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944944022 613534849 /nfs/dbraw/zinc/53/48/49/613534849.db2.gz LHFYWTPPIXCKQT-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000972330841 613628049 /nfs/dbraw/zinc/62/80/49/613628049.db2.gz IBULEJCKVYUPEV-KBPBESRZSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CCN1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000982152421 613691641 /nfs/dbraw/zinc/69/16/41/613691641.db2.gz ZBYXHWPBRZNWDE-HOTGVXAUSA-N 2 0 291.439 1.724 20 30 CDEDRP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967397120 613773750 /nfs/dbraw/zinc/77/37/50/613773750.db2.gz MDZLEJUFBDTPPL-XJKSGUPXSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974999463 613826600 /nfs/dbraw/zinc/82/66/00/613826600.db2.gz YEMHEKPEYBUQIO-AWEZNQCLSA-N 2 0 279.428 1.341 20 30 CDEDRP C#CC[NH2+]CC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000911763713 629480321 /nfs/dbraw/zinc/48/03/21/629480321.db2.gz HLUULSDDGMONSF-OAHLLOKOSA-N 2 0 273.380 1.149 20 30 CDEDRP CCCC[NH+]=C(NCCN(C)CCOC)NC(C)(C)C ZINC000912496909 630036024 /nfs/dbraw/zinc/03/60/24/630036024.db2.gz HKKZHVAMCHUIQW-UHFFFAOYSA-N 2 0 286.464 1.698 20 30 CDEDRP COc1ccc(C(C)=NNC(N)=[NH2+])cc1C[NH+]1CCCC1 ZINC000915051243 631638359 /nfs/dbraw/zinc/63/83/59/631638359.db2.gz YYWHROKBKZWOOI-UHFFFAOYSA-N 2 0 289.383 1.498 20 30 CDEDRP C#CCC[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001754236372 1158990502 /nfs/dbraw/zinc/99/05/02/1158990502.db2.gz MBDWNOIPXLRPBH-OAHLLOKOSA-N 2 0 293.455 1.616 20 30 CDEDRP CN(C)/C=[NH+]/c1ccc(NCC2C[NH+](C)C2)cc1C#N ZINC001170256434 1162319114 /nfs/dbraw/zinc/31/91/14/1162319114.db2.gz LZSFPWUWUDPZQL-WOJGMQOQSA-N 2 0 271.368 1.753 20 30 CDEDRP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182491 1161544877 /nfs/dbraw/zinc/54/48/77/1161544877.db2.gz JVOQEWGPPQTPFQ-INIZCTEOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001113270262 1162142716 /nfs/dbraw/zinc/14/27/16/1162142716.db2.gz IHYOHVSLZSUEHP-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132311764 1163237625 /nfs/dbraw/zinc/23/76/25/1163237625.db2.gz XTYMMPRSNIMCRT-CABCVRRESA-N 2 0 293.455 1.567 20 30 CDEDRP C=CC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132791303 1163480301 /nfs/dbraw/zinc/48/03/01/1163480301.db2.gz WYNOJQMAKTUASL-OAHLLOKOSA-N 2 0 279.428 1.675 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001133311219 1163630141 /nfs/dbraw/zinc/63/01/41/1163630141.db2.gz WEWIFJNLSAJBHW-HOTGVXAUSA-N 2 0 293.455 1.733 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135706351 1164169811 /nfs/dbraw/zinc/16/98/11/1164169811.db2.gz SUCPSIMQCBAEGT-KBPBESRZSA-N 2 0 267.417 1.224 20 30 CDEDRP COC(=O)[C@@H]1C[N@H+](CC2CCC(C#N)CC2)CC12C[NH2+]C2 ZINC001578795856 1172011296 /nfs/dbraw/zinc/01/12/96/1172011296.db2.gz DRDPWFGEZIRKOH-RUXDESIVSA-N 2 0 291.395 1.011 20 30 CDEDRP C=C(C)C[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001713561912 1178650069 /nfs/dbraw/zinc/65/00/69/1178650069.db2.gz HLNDZDIAXSJCRI-OAHLLOKOSA-N 2 0 281.444 1.729 20 30 CDEDRP C=CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001753287817 1182254761 /nfs/dbraw/zinc/25/47/61/1182254761.db2.gz YJCOLKRFWQWTCH-HUUCEWRRSA-N 2 0 281.444 1.729 20 30 CDEDRP C=CC[N@@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001752084725 1184817406 /nfs/dbraw/zinc/81/74/06/1184817406.db2.gz MQNWTNYCDQABBW-UHFFFAOYSA-N 2 0 267.417 1.342 20 30 CDEDRP C=C(C)C[NH+](C)CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001752122141 1184821772 /nfs/dbraw/zinc/82/17/72/1184821772.db2.gz RGRMOLDYCRJSJK-GASCZTMLSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CCC[N@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001752121085 1184823134 /nfs/dbraw/zinc/82/31/34/1184823134.db2.gz GFEHFZBDQOELOM-UHFFFAOYSA-N 2 0 279.428 1.324 20 30 CDEDRP C=CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001752921068 1184966131 /nfs/dbraw/zinc/96/61/31/1184966131.db2.gz LJQCEEVUTZEPGH-KGLIPLIRSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001753105452 1185063089 /nfs/dbraw/zinc/06/30/89/1185063089.db2.gz CWRIFZCQGUHXBE-UONOGXRCSA-N 2 0 285.407 1.433 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001753113876 1185069154 /nfs/dbraw/zinc/06/91/54/1185069154.db2.gz ALXPOIGYKHKZBZ-CQSZACIVSA-N 2 0 265.401 1.239 20 30 CDEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001753264025 1185136009 /nfs/dbraw/zinc/13/60/09/1185136009.db2.gz FVIBVRFNYSZQTN-CHWSQXEVSA-N 2 0 287.835 1.660 20 30 CDEDRP C#CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1CCC)C(C)C ZINC001753286481 1185143166 /nfs/dbraw/zinc/14/31/66/1185143166.db2.gz BTXXHWNBDLLZPZ-INIZCTEOSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001753336486 1185158789 /nfs/dbraw/zinc/15/87/89/1185158789.db2.gz UNTWGIKWRFCBPD-HNNXBMFYSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001753440014 1185208850 /nfs/dbraw/zinc/20/88/50/1185208850.db2.gz SIUSFCTWMKOOFI-HUUCEWRRSA-N 2 0 277.412 1.027 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001753810752 1185341714 /nfs/dbraw/zinc/34/17/14/1185341714.db2.gz BVGCQARNMCGKSE-HZPDHXFCSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CCCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001754038257 1185437133 /nfs/dbraw/zinc/43/71/33/1185437133.db2.gz DJJWAWDLSNIZBO-AWEZNQCLSA-N 2 0 267.417 1.485 20 30 CDEDRP CC#CC[NH2+]CCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001755502890 1185974343 /nfs/dbraw/zinc/97/43/43/1185974343.db2.gz YPBDMBKZIULZDU-HOTGVXAUSA-N 2 0 293.455 1.759 20 30 CDEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001755618915 1186013866 /nfs/dbraw/zinc/01/38/66/1186013866.db2.gz PZKYFCFDTHXRIE-HUUCEWRRSA-N 2 0 279.428 1.321 20 30 CDEDRP CCN(CCO)[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000842537213 697828714 /nfs/dbraw/zinc/82/87/14/697828714.db2.gz RBMJDQQDZNHGQI-UHFFFAOYSA-N 2 0 290.411 1.087 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001020932511 697848429 /nfs/dbraw/zinc/84/84/29/697848429.db2.gz LEEOLDUWGSMVQW-HAQNSBGRSA-N 2 0 283.803 1.072 20 30 CDEDRP CC(C)[N@H+](C)CCNC(=[NH2+])NCCc1ccccc1 ZINC000303983631 697901931 /nfs/dbraw/zinc/90/19/31/697901931.db2.gz RIOCEEFAQIWNJF-UHFFFAOYSA-N 2 0 262.401 1.474 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001016827517 697925955 /nfs/dbraw/zinc/92/59/55/697925955.db2.gz WVIAIPYYPBCCFE-CABCVRRESA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001072814396 698011155 /nfs/dbraw/zinc/01/11/55/698011155.db2.gz CJLSWHBZSHNFRX-HNNXBMFYSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001027575785 698027125 /nfs/dbraw/zinc/02/71/25/698027125.db2.gz DVZIACPDUYTGNO-GJZGRUSLSA-N 2 0 277.412 1.027 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997300726 698034822 /nfs/dbraw/zinc/03/48/22/698034822.db2.gz WPIWGFZRTSZCID-LBPRGKRZSA-N 2 0 285.819 1.271 20 30 CDEDRP COc1cccc(NC(=[NH2+])NCCC[NH+]2CCCC2)c1 ZINC000303781628 698113285 /nfs/dbraw/zinc/11/32/85/698113285.db2.gz MMLNCWIDMCUIKC-UHFFFAOYSA-N 2 0 276.384 1.908 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001000714437 698202871 /nfs/dbraw/zinc/20/28/71/698202871.db2.gz AFJIISYMOUZFCT-ZDUSSCGKSA-N 2 0 288.395 1.528 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000989606935 698302010 /nfs/dbraw/zinc/30/20/10/698302010.db2.gz XCOJEDYGPVCVBB-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000998899974 698302380 /nfs/dbraw/zinc/30/23/80/698302380.db2.gz TYRJFWGXVZQCJI-QQFBHYJXSA-N 2 0 293.455 1.729 20 30 CDEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001005590244 698316966 /nfs/dbraw/zinc/31/69/66/698316966.db2.gz WSCURHYXOZBRMS-HNNXBMFYSA-N 2 0 277.412 1.027 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001036159999 698323984 /nfs/dbraw/zinc/32/39/84/698323984.db2.gz ISDZXIYFOWKPTN-GOEBONIOSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001005399496 698327543 /nfs/dbraw/zinc/32/75/43/698327543.db2.gz TXNKVEWVLROKRU-MRXNPFEDSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCCC)C2)CC1 ZINC001032207412 698358902 /nfs/dbraw/zinc/35/89/02/698358902.db2.gz QEYQSCMNMXFIPK-UHFFFAOYSA-N 2 0 291.439 1.180 20 30 CDEDRP CC(C)CNC(=[NH2+])NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000134127138 698362985 /nfs/dbraw/zinc/36/29/85/698362985.db2.gz OSGZOEFHGBUWMA-CYBMUJFWSA-N 2 0 254.422 1.525 20 30 CDEDRP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000252692167 698468088 /nfs/dbraw/zinc/46/80/88/698468088.db2.gz RFTJSALRZUGQHL-HUUCEWRRSA-N 2 0 296.459 1.438 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028316969 698597982 /nfs/dbraw/zinc/59/79/82/698597982.db2.gz WHVOFOHLUZMKHI-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001824401 698614062 /nfs/dbraw/zinc/61/40/62/698614062.db2.gz FSLHDHKUZXPNRR-GOEBONIOSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994249978 698712607 /nfs/dbraw/zinc/71/26/07/698712607.db2.gz IBWDKNLQYBSGQZ-UONOGXRCSA-N 2 0 277.412 1.237 20 30 CDEDRP CC#CCN1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046314266 698748788 /nfs/dbraw/zinc/74/87/88/698748788.db2.gz AHYHNXOSFQOPJO-RDJZCZTQSA-N 2 0 291.439 1.463 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1CC ZINC000304765937 698762641 /nfs/dbraw/zinc/76/26/41/698762641.db2.gz ZZNZZNZBBVQGIK-ZDUSSCGKSA-N 2 0 270.421 1.192 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001009518722 698812070 /nfs/dbraw/zinc/81/20/70/698812070.db2.gz SUEKFAWLQHTFLC-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001041833207 698813588 /nfs/dbraw/zinc/81/35/88/698813588.db2.gz MSMSCITVTDNPST-INIZCTEOSA-N 2 0 277.412 1.193 20 30 CDEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001016830980 698826699 /nfs/dbraw/zinc/82/66/99/698826699.db2.gz YWSWEIGLRCDFQK-CABCVRRESA-N 2 0 289.423 1.075 20 30 CDEDRP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC[NH+](C)CC1 ZINC000886574718 698844620 /nfs/dbraw/zinc/84/46/20/698844620.db2.gz QBXDDYXTHUOAPU-JKSUJKDBSA-N 2 0 291.439 1.273 20 30 CDEDRP C[C@H]([NH2+]CCNc1ccc(C#N)cn1)c1cnccc1N ZINC000925892857 698990235 /nfs/dbraw/zinc/99/02/35/698990235.db2.gz GNHKHWFLSOAZBM-NSHDSACASA-N 2 0 282.351 1.524 20 30 CDEDRP CC#CCN1CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001038871815 698991198 /nfs/dbraw/zinc/99/11/98/698991198.db2.gz IYLOENZMHPPQEF-INIZCTEOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133820102 1163909726 /nfs/dbraw/zinc/90/97/26/1163909726.db2.gz YKRSGWRCOLZXDJ-ZIAGYGMSSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133863890 1163939707 /nfs/dbraw/zinc/93/97/07/1163939707.db2.gz QWDFKQSRDLEOCL-GJZGRUSLSA-N 2 0 281.444 1.636 20 30 CDEDRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000818981731 704812299 /nfs/dbraw/zinc/81/22/99/704812299.db2.gz XVAXWKKZNVJLPF-RDJZCZTQSA-N 2 0 287.407 1.913 20 30 CDEDRP C#CC[C@H](CCOC)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877660509 704823791 /nfs/dbraw/zinc/82/37/91/704823791.db2.gz MXTILAJHYMTYKO-CQSZACIVSA-N 2 0 282.428 1.240 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000997950698 704886054 /nfs/dbraw/zinc/88/60/54/704886054.db2.gz SDEYCGVAMMBFSK-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP CCC(CC)[C@@H](CNC(NC1CC1)=[NH+]C)[NH+](C)C ZINC000848984310 704897026 /nfs/dbraw/zinc/89/70/26/704897026.db2.gz KPHZMWDFOZHXNT-CYBMUJFWSA-N 2 0 254.422 1.680 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015387926 704912904 /nfs/dbraw/zinc/91/29/04/704912904.db2.gz NFJGWVLIZLBLNY-HUUCEWRRSA-N 2 0 277.412 1.237 20 30 CDEDRP CCCCCCNC(=[NH2+])NCC1([NH+](C)C)CCOCC1 ZINC000304752340 704923426 /nfs/dbraw/zinc/92/34/26/704923426.db2.gz KCKUJVJVWYNLAI-UHFFFAOYSA-N 2 0 284.448 1.582 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CCCS1)NCC1([NH+](C)C)CCCC1 ZINC000261986508 705005043 /nfs/dbraw/zinc/00/50/43/705005043.db2.gz QFFKVOQZMRDDHF-ZDUSSCGKSA-N 2 0 298.500 1.921 20 30 CDEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001035783771 705052075 /nfs/dbraw/zinc/05/20/75/705052075.db2.gz MWTQLTYMRBYPGT-OAHLLOKOSA-N 2 0 291.439 1.130 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000999347271 705094961 /nfs/dbraw/zinc/09/49/61/705094961.db2.gz IEYPLJJAHVBPPH-CYBMUJFWSA-N 2 0 299.846 1.804 20 30 CDEDRP CN(C(=[NH2+])NCC(C)(C)[NH+]1CCCCC1)C1CC1 ZINC000305831774 848043268 /nfs/dbraw/zinc/04/32/68/848043268.db2.gz UQESNOHDVSFHDD-UHFFFAOYSA-N 2 0 252.406 1.660 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001028552794 848068388 /nfs/dbraw/zinc/06/83/88/848068388.db2.gz SUTDMBDXHOQRPD-HRCADAONSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995549810 848092793 /nfs/dbraw/zinc/09/27/93/848092793.db2.gz FOWANYSMSRGVOJ-CHWSQXEVSA-N 2 0 265.401 1.093 20 30 CDEDRP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034215391 848105037 /nfs/dbraw/zinc/10/50/37/848105037.db2.gz YWFXWCQELHQMOW-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997187949 848153634 /nfs/dbraw/zinc/15/36/34/848153634.db2.gz XVVBTFZVOOKHHY-CYBMUJFWSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001032207410 848233903 /nfs/dbraw/zinc/23/39/03/848233903.db2.gz QBFSRKNFPADSDD-AWEZNQCLSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CC[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001005995991 848369902 /nfs/dbraw/zinc/36/99/02/848369902.db2.gz KOVFYHJECPADMP-AWEZNQCLSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001072979800 848552795 /nfs/dbraw/zinc/55/27/95/848552795.db2.gz MBBDFSBMPZMPAG-OAHLLOKOSA-N 2 0 289.423 1.028 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001018964376 848615044 /nfs/dbraw/zinc/61/50/44/848615044.db2.gz CQDGPMRXACQGHS-QWHCGFSZSA-N 2 0 285.819 1.270 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1ccnn1CC1CC1 ZINC000883131170 848748452 /nfs/dbraw/zinc/74/84/52/848748452.db2.gz LGKIUICPYHLVTQ-UHFFFAOYSA-N 2 0 260.385 1.338 20 30 CDEDRP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001034363580 848795426 /nfs/dbraw/zinc/79/54/26/848795426.db2.gz PAFBUJZYOHPWAP-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP CC[C@@H](C)NC(=[NH2+])NCCC[NH+]1CCC(C)CC1 ZINC000122457285 848985919 /nfs/dbraw/zinc/98/59/19/848985919.db2.gz FVHFCJFWDQHIRE-CYBMUJFWSA-N 2 0 254.422 1.811 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC000989828535 849040900 /nfs/dbraw/zinc/04/09/00/849040900.db2.gz FKQGKQHUVKWBKL-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001039459753 849188060 /nfs/dbraw/zinc/18/80/60/849188060.db2.gz LGADPMKKBXHBHV-XHSDSOJGSA-N 2 0 289.423 1.027 20 30 CDEDRP C[NH+]=C(NCC[C@@H]1CCC[N@H+](C)C1)NCc1ccco1 ZINC000849040906 849194894 /nfs/dbraw/zinc/19/48/94/849194894.db2.gz FXUAWFBCICTNDE-ZDUSSCGKSA-N 2 0 278.400 1.677 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032042873 849226886 /nfs/dbraw/zinc/22/68/86/849226886.db2.gz MTZRIGCKRZPVBH-JKSUJKDBSA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2ccnc2)C[C@@H]1C ZINC001036311523 849383112 /nfs/dbraw/zinc/38/31/12/849383112.db2.gz CCKKIIZHXFFOMM-UONOGXRCSA-N 2 0 276.384 1.286 20 30 CDEDRP CC[NH+](CC)CCOCCNC(NCc1ccco1)=[NH+]C ZINC000849018275 849396462 /nfs/dbraw/zinc/39/64/62/849396462.db2.gz IDJXKZLPEOXRCF-UHFFFAOYSA-N 2 0 296.415 1.303 20 30 CDEDRP C=CCNC(=[NH2+])NCCCC[NH+]1CCC(C)CC1 ZINC000848989559 849414280 /nfs/dbraw/zinc/41/42/80/849414280.db2.gz XDKRWKWGOZBNNU-UHFFFAOYSA-N 2 0 252.406 1.798 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033270697 849432120 /nfs/dbraw/zinc/43/21/20/849432120.db2.gz GBXSOJMQHGZPLK-MRXNPFEDSA-N 2 0 296.374 1.504 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001076241545 849633000 /nfs/dbraw/zinc/63/30/00/849633000.db2.gz SRAMKDVUIXLZNP-HRCADAONSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCN3C)CCC[C@H]12 ZINC000990026463 849794409 /nfs/dbraw/zinc/79/44/09/849794409.db2.gz OQUVBZHDZBMQAW-OFQRWUPVSA-N 2 0 277.412 1.380 20 30 CDEDRP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NCCCOCC ZINC000303895528 849814264 /nfs/dbraw/zinc/81/42/64/849814264.db2.gz TYMRYNQQWADXLN-HNNXBMFYSA-N 2 0 298.475 1.972 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996463518 849894484 /nfs/dbraw/zinc/89/44/84/849894484.db2.gz HGEJVDZRLLUNNF-HNNXBMFYSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CC[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](CC#C)C2)C1 ZINC000886362937 849897848 /nfs/dbraw/zinc/89/78/48/849897848.db2.gz TVWWCXIFHZIFAF-HDICACEKSA-N 2 0 288.435 1.693 20 30 CDEDRP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001049526158 849955959 /nfs/dbraw/zinc/95/59/59/849955959.db2.gz TXQDCXCHTWZLAF-XHSDSOJGSA-N 2 0 289.423 1.025 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000998979504 850034383 /nfs/dbraw/zinc/03/43/83/850034383.db2.gz HLRLRWMZUDMPNN-UHFFFAOYSA-N 2 0 291.439 1.627 20 30 CDEDRP CC#CCN1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033317613 850209820 /nfs/dbraw/zinc/20/98/20/850209820.db2.gz CUMSQXUIBDLIHM-HNNXBMFYSA-N 2 0 291.439 1.417 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001022984481 850218097 /nfs/dbraw/zinc/21/80/97/850218097.db2.gz BKDIKWHWDGFXPE-BETUJISGSA-N 2 0 288.395 1.574 20 30 CDEDRP CN(C)[C@H](CNC(=[NH2+])N1CCCCC1)Cc1ccccc1 ZINC000303785758 850228833 /nfs/dbraw/zinc/22/88/33/850228833.db2.gz QTIJOOBUDQOIOD-INIZCTEOSA-N 2 0 288.439 1.960 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001044766237 850302239 /nfs/dbraw/zinc/30/22/39/850302239.db2.gz JNPHWZTURXINDN-GDBMZVCRSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000787382344 850325621 /nfs/dbraw/zinc/32/56/21/850325621.db2.gz SODXAZRKWQEGRJ-MRXNPFEDSA-N 2 0 289.423 1.217 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCC1(C[NH+](C)C)CCCC1 ZINC000305835082 850326752 /nfs/dbraw/zinc/32/67/52/850326752.db2.gz WIJRTADGKKURCR-UHFFFAOYSA-N 2 0 252.406 1.589 20 30 CDEDRP CCCCNC(=[NH2+])NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000303781469 850447802 /nfs/dbraw/zinc/44/78/02/850447802.db2.gz MIEHBJHQMXKYFQ-STQMWFEESA-N 2 0 270.421 1.190 20 30 CDEDRP C=CCOC1CCC([NH2+]CCN2CCC[N@@H+](C)CC2)CC1 ZINC001173314507 912451767 /nfs/dbraw/zinc/45/17/67/912451767.db2.gz RBSHSUFJNXLHQE-UHFFFAOYSA-N 2 0 295.471 1.727 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@H]1C ZINC001089059654 912554239 /nfs/dbraw/zinc/55/42/39/912554239.db2.gz VHLKDSZXTSFUQX-QLFBSQMISA-N 2 0 279.428 1.626 20 30 CDEDRP C[NH+]1CCN(c2ccc(Nc3cc[nH+]cc3)cc2C#N)CC1 ZINC001173883873 912889388 /nfs/dbraw/zinc/88/93/88/912889388.db2.gz YISXZCSTKVBASC-UHFFFAOYSA-N 2 0 293.374 1.871 20 30 CDEDRP C=CCCC[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001209163878 894516360 /nfs/dbraw/zinc/51/63/60/894516360.db2.gz KWGUEFZCPFBBTM-UHFFFAOYSA-N 2 0 265.445 1.912 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001167260646 894989453 /nfs/dbraw/zinc/98/94/53/894989453.db2.gz CHEXQYFZMPQCJJ-AWEZNQCLSA-N 2 0 279.428 1.226 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176752961 914257886 /nfs/dbraw/zinc/25/78/86/914257886.db2.gz BPCMAIBPRQDRJK-HNNXBMFYSA-N 2 0 281.444 1.615 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC=C(C)C)CC1 ZINC001176926084 914360869 /nfs/dbraw/zinc/36/08/69/914360869.db2.gz FYDRBJVIUQXVME-UHFFFAOYSA-N 2 0 291.439 1.394 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1CC ZINC001087726538 905794666 /nfs/dbraw/zinc/79/46/66/905794666.db2.gz KBZSTOUXNMAWGZ-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001168346194 909137459 /nfs/dbraw/zinc/13/74/59/909137459.db2.gz XANBXXMXLUGUGN-OAHLLOKOSA-N 2 0 293.455 1.923 20 30 CDEDRP C#CCOCCOCC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171625171 910860364 /nfs/dbraw/zinc/86/03/64/910860364.db2.gz DMNKEWQJWBNTOE-UHFFFAOYSA-N 2 0 296.455 1.894 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127065593 911253572 /nfs/dbraw/zinc/25/35/72/911253572.db2.gz BTXIENSTBWSVTQ-ZDUSSCGKSA-N 2 0 253.390 1.141 20 30 CDEDRP CC[C@H](C)[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)NO ZINC001172113785 911280692 /nfs/dbraw/zinc/28/06/92/911280692.db2.gz MGYXPTMFVWKDMC-HPCHECBXSA-N 2 0 283.416 1.511 20 30 CDEDRP C#CCOCCOCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172119263 911303993 /nfs/dbraw/zinc/30/39/93/911303993.db2.gz XIGHFSSCNOGJOK-PHZGNYQRSA-N 2 0 280.412 1.258 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001179971720 916096715 /nfs/dbraw/zinc/09/67/15/916096715.db2.gz ACMVOUIRJQGWFZ-GJZGRUSLSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107042637 917896050 /nfs/dbraw/zinc/89/60/50/917896050.db2.gz WIRGCTBRPWWTBY-HZPDHXFCSA-N 2 0 295.471 1.977 20 30 CDEDRP Cn1cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)cc1C#N ZINC001206549967 918248111 /nfs/dbraw/zinc/24/81/11/918248111.db2.gz SFLYRAVZBQIEEY-OAHLLOKOSA-N 2 0 260.385 1.848 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001183255223 918412201 /nfs/dbraw/zinc/41/22/01/918412201.db2.gz LFZZFVDXYOQOJF-HZPDHXFCSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001185032485 919389059 /nfs/dbraw/zinc/38/90/59/919389059.db2.gz ZDMBOHJFQRRFFP-CVEARBPZSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185082316 919412970 /nfs/dbraw/zinc/41/29/70/919412970.db2.gz BCPCSNCXFNLRHI-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185082312 919413889 /nfs/dbraw/zinc/41/38/89/919413889.db2.gz BCPCSNCXFNLRHI-CVEARBPZSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001185659725 919697455 /nfs/dbraw/zinc/69/74/55/919697455.db2.gz PJZXJCGDISISGQ-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190442865 921998678 /nfs/dbraw/zinc/99/86/78/921998678.db2.gz BWUMEUUFNZKZLJ-HUUCEWRRSA-N 2 0 299.434 1.775 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC)C1 ZINC001190725754 922155559 /nfs/dbraw/zinc/15/55/59/922155559.db2.gz REVSUDZMYXMWIM-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111466174 936779618 /nfs/dbraw/zinc/77/96/18/936779618.db2.gz LCAYQTCBRYCDOE-KFWWJZLASA-N 2 0 277.412 1.071 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192385316 923048772 /nfs/dbraw/zinc/04/87/72/923048772.db2.gz GAAIPNSYYDJXLL-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193559819 923797639 /nfs/dbraw/zinc/79/76/39/923797639.db2.gz MDMDECJCVJNYQA-HNNXBMFYSA-N 2 0 281.444 1.827 20 30 CDEDRP C#CCC[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001193609801 923802480 /nfs/dbraw/zinc/80/24/80/923802480.db2.gz JHGGQNHFDKIQIY-OAHLLOKOSA-N 2 0 279.428 1.274 20 30 CDEDRP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039179 924028866 /nfs/dbraw/zinc/02/88/66/924028866.db2.gz LDCQOMDBVLPEGR-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP CC#CCN1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001080037644 924476317 /nfs/dbraw/zinc/47/63/17/924476317.db2.gz PSUHBXIVQBLJPZ-HUUCEWRRSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001080998560 924676417 /nfs/dbraw/zinc/67/64/17/924676417.db2.gz CTCZKJYKJSHSER-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001082663614 924975497 /nfs/dbraw/zinc/97/54/97/924975497.db2.gz XLIMYXBTJXUMOF-BMFZPTHFSA-N 2 0 291.439 1.483 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101344831 936969756 /nfs/dbraw/zinc/96/97/56/936969756.db2.gz GHCDOEBEUQYBCE-WBVHZDCISA-N 2 0 293.455 1.685 20 30 CDEDRP C#CCN1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197484459 925149599 /nfs/dbraw/zinc/14/95/99/925149599.db2.gz DYDNQLNHDATPPM-INIZCTEOSA-N 2 0 293.455 1.520 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084339742 925235522 /nfs/dbraw/zinc/23/55/22/925235522.db2.gz HIVNCZWLXFSIPU-OWCLPIDISA-N 2 0 291.439 1.578 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084339741 925236284 /nfs/dbraw/zinc/23/62/84/925236284.db2.gz HIVNCZWLXFSIPU-BZUAXINKSA-N 2 0 291.439 1.578 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001084427323 925246649 /nfs/dbraw/zinc/24/66/49/925246649.db2.gz CSDVWGQSCFFGMB-OAGGEKHMSA-N 2 0 293.455 1.681 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001084448928 925256968 /nfs/dbraw/zinc/25/69/68/925256968.db2.gz KZAWTCQMWDQRIO-RBSFLKMASA-N 2 0 279.428 1.435 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084905845 925488562 /nfs/dbraw/zinc/48/85/62/925488562.db2.gz PKMSWIOSNOKIJI-OAGGEKHMSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102374092 937055122 /nfs/dbraw/zinc/05/51/22/937055122.db2.gz XPEMTBDJYSOEHC-HUUCEWRRSA-N 2 0 293.455 1.588 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001202207950 926495869 /nfs/dbraw/zinc/49/58/69/926495869.db2.gz WAVILMVZRRZQTJ-UHFFFAOYSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085973028 926563183 /nfs/dbraw/zinc/56/31/83/926563183.db2.gz NFQCVRWCTMXEMP-KBPBESRZSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086106682 926710798 /nfs/dbraw/zinc/71/07/98/926710798.db2.gz UQNIMURBIMZLDW-HRCADAONSA-N 2 0 293.455 1.635 20 30 CDEDRP C[C@H]([NH3+])c1ccn(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)n1 ZINC001169235377 927816351 /nfs/dbraw/zinc/81/63/51/927816351.db2.gz VMZDBYDAHUPLKO-HPAYWCODSA-N 2 0 282.351 1.985 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001152451627 937363637 /nfs/dbraw/zinc/36/36/37/937363637.db2.gz BADFYVDTSYLRQH-ZDUSSCGKSA-N 2 0 253.390 1.143 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298879 930135943 /nfs/dbraw/zinc/13/59/43/930135943.db2.gz QPUPWSZANNFFRF-KBPBESRZSA-N 2 0 281.444 1.777 20 30 CDEDRP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135314761 930150449 /nfs/dbraw/zinc/15/04/49/930150449.db2.gz GSDHTWFWKNYTDT-HUUCEWRRSA-N 2 0 299.459 1.404 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCCCC1 ZINC001115591701 937397485 /nfs/dbraw/zinc/39/74/85/937397485.db2.gz AIEGXXFJIHTHAW-CQSZACIVSA-N 2 0 279.428 1.369 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001086792901 930435388 /nfs/dbraw/zinc/43/53/88/930435388.db2.gz QABMEHXUBDYBOV-GOEBONIOSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135861682 930482023 /nfs/dbraw/zinc/48/20/23/930482023.db2.gz VNNJCGWFIGPLFS-KBPBESRZSA-N 2 0 269.433 1.777 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135973749 930584714 /nfs/dbraw/zinc/58/47/14/930584714.db2.gz CWGCPHXAKLNKPO-HUUCEWRRSA-N 2 0 281.444 1.615 20 30 CDEDRP C=CCOC(=O)[C@@H](N)CCCCNc1ccc(NC)nc1 ZINC001171069770 931483723 /nfs/dbraw/zinc/48/37/23/931483723.db2.gz OTFOYPWVRYNXFY-ZDUSSCGKSA-N 2 0 292.383 1.762 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171174506 931799125 /nfs/dbraw/zinc/79/91/25/931799125.db2.gz NEEKUPPGPUOBKX-GJZGRUSLSA-N 2 0 279.428 1.226 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580005 937560499 /nfs/dbraw/zinc/56/04/99/937560499.db2.gz KBXSRLOHERFPFI-OAHLLOKOSA-N 2 0 293.455 1.711 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ccnc1C ZINC001146331384 932234471 /nfs/dbraw/zinc/23/44/71/932234471.db2.gz BIAJPXJFTQVRSO-STQMWFEESA-N 2 0 276.384 1.088 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146537257 932262329 /nfs/dbraw/zinc/26/23/29/932262329.db2.gz YCBBGNAAMOPDKJ-HUUCEWRRSA-N 2 0 281.444 1.921 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC)CC1 ZINC001146609688 932271605 /nfs/dbraw/zinc/27/16/05/932271605.db2.gz GAYSRCIDXLBCFM-HUUCEWRRSA-N 2 0 293.455 1.615 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092272231 932931868 /nfs/dbraw/zinc/93/18/68/932931868.db2.gz AKKRPBIMGQWRSF-UXLLHSPISA-N 2 0 291.439 1.295 20 30 CDEDRP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC ZINC001114829180 935001187 /nfs/dbraw/zinc/00/11/87/935001187.db2.gz RQNUYQFNPUBCRA-XUWVNRHRSA-N 2 0 291.439 1.177 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001096234099 936016121 /nfs/dbraw/zinc/01/61/21/936016121.db2.gz LMPWSHPERSJIHS-PMPSAXMXSA-N 2 0 291.439 1.626 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158040069 938578120 /nfs/dbraw/zinc/57/81/20/938578120.db2.gz VMSFBUCDDBKGID-HOTGVXAUSA-N 2 0 293.455 1.923 20 30 CDEDRP N#Cc1cnc(-n2cc(CC[NH3+])c3c[nH+]ccc32)c(F)c1 ZINC001160950686 938848844 /nfs/dbraw/zinc/84/88/44/938848844.db2.gz PNYPTKAJQQOLMZ-UHFFFAOYSA-N 2 0 281.294 1.932 20 30 CDEDRP C#CC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001161755418 938930435 /nfs/dbraw/zinc/93/04/35/938930435.db2.gz WHXRFDGBOQTQNR-UHFFFAOYSA-N 2 0 277.412 1.100 20 30 CDEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161857974 938936503 /nfs/dbraw/zinc/93/65/03/938936503.db2.gz TWZUKBWJLWYPKV-HNNXBMFYSA-N 2 0 277.412 1.263 20 30 CDEDRP N#Cc1c(NCC2([NH3+])CCC2)ncc2c1CCC[NH2+]C2 ZINC001163322325 939246975 /nfs/dbraw/zinc/24/69/75/939246975.db2.gz SEWFDZAGZPHQMP-UHFFFAOYSA-N 2 0 271.368 1.282 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164574499 939495109 /nfs/dbraw/zinc/49/51/09/939495109.db2.gz OGCOHUFIDIALBS-STQMWFEESA-N 2 0 287.835 1.565 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001166707815 939629666 /nfs/dbraw/zinc/62/96/66/939629666.db2.gz JGLRLLAXUQPVHR-ZYHUDNBSSA-N 2 0 273.808 1.033 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001166842492 939643650 /nfs/dbraw/zinc/64/36/50/939643650.db2.gz JWVZVUJUNTYXOY-GJZGRUSLSA-N 2 0 291.439 1.226 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001206139170 939984941 /nfs/dbraw/zinc/98/49/41/939984941.db2.gz YZUXFAMEPVPOPU-UHFFFAOYSA-N 2 0 267.417 1.342 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001208414083 940329354 /nfs/dbraw/zinc/32/93/54/940329354.db2.gz HMMJLKORBHLMOQ-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208454677 940332193 /nfs/dbraw/zinc/33/21/93/940332193.db2.gz ZFLZEXSEFKELAL-CQSZACIVSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209303530 940458140 /nfs/dbraw/zinc/45/81/40/940458140.db2.gz KVCVYLNKXLQNGQ-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001209634085 940620597 /nfs/dbraw/zinc/62/05/97/940620597.db2.gz ZZNZVARGXGPJDA-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210674203 940705892 /nfs/dbraw/zinc/70/58/92/940705892.db2.gz ORGPANLLPDFRNJ-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211241740 940740847 /nfs/dbraw/zinc/74/08/47/940740847.db2.gz XMLWSRZWRHEXAI-INIZCTEOSA-N 2 0 291.439 1.466 20 30 CDEDRP Cc1coc(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1C#N ZINC001218763559 941267916 /nfs/dbraw/zinc/26/79/16/941267916.db2.gz AITQVIBITLSDOE-GFCCVEGCSA-N 2 0 288.351 1.272 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)NCCCC[NH2+]C ZINC001220077730 941412177 /nfs/dbraw/zinc/41/21/77/941412177.db2.gz UZUFYPJMBUSWKO-ZDUSSCGKSA-N 2 0 255.406 1.566 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001223487743 941681415 /nfs/dbraw/zinc/68/14/15/941681415.db2.gz OVUXQYYJHGEQKB-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001224537567 941766770 /nfs/dbraw/zinc/76/67/70/941766770.db2.gz RTDQXTVPHSLUBB-HNNXBMFYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C ZINC001228661097 942350896 /nfs/dbraw/zinc/35/08/96/942350896.db2.gz NMLSRAJGGBOFLC-KFWWJZLASA-N 2 0 281.444 1.920 20 30 CDEDRP C[N@@H+]1CC[C@@H]2CN(Cc3cccc(C#N)n3)C[C@@H]2C1 ZINC001232924108 943434772 /nfs/dbraw/zinc/43/47/72/943434772.db2.gz QHDUANDLTSRROH-OLZOCXBDSA-N 2 0 256.353 1.337 20 30 CDEDRP C=CC[NH+]1CC[C@H]1CN(C)C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001235301668 944113672 /nfs/dbraw/zinc/11/36/72/944113672.db2.gz DDYBWQUOWINHCF-CVEARBPZSA-N 2 0 293.455 1.968 20 30 CDEDRP CN(C)C(=O)CN1CC[C@@]2(C1)CCC[N@H+](CCCC#N)C2 ZINC001277943089 944148399 /nfs/dbraw/zinc/14/83/99/944148399.db2.gz MYOHUXHFAQQBAV-INIZCTEOSA-N 2 0 292.427 1.166 20 30 CDEDRP N#Cc1cccc(CCC[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235994659 944363683 /nfs/dbraw/zinc/36/36/83/944363683.db2.gz ULTHJVNNKUTGFC-SJPCQFCGSA-N 2 0 285.391 1.396 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001258722377 945391814 /nfs/dbraw/zinc/39/18/14/945391814.db2.gz HGRCPXYMOWREET-KKUMJFAQSA-N 2 0 281.444 1.920 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)[C@@H]1CC[C@H](C#N)C1 ZINC001254667205 947583221 /nfs/dbraw/zinc/58/32/21/947583221.db2.gz BHJCIAJREZVHDE-UONOGXRCSA-N 2 0 252.406 1.104 20 30 CDEDRP CCCCCCCC[C@@H](O)C[NH2+][C@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001245987214 947880341 /nfs/dbraw/zinc/88/03/41/947880341.db2.gz XVNBJJLCSRXWFC-APIJFGDWSA-N 2 0 254.418 1.905 20 30 CDEDRP C=CCOC[C@@H](O)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246020628 947899996 /nfs/dbraw/zinc/89/99/96/947899996.db2.gz JAGCIWORSUYJLB-KBPBESRZSA-N 2 0 256.390 1.001 20 30 CDEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001246218669 948035654 /nfs/dbraw/zinc/03/56/54/948035654.db2.gz RRUBOKFMRIAJEL-AWEZNQCLSA-N 2 0 298.434 1.515 20 30 CDEDRP C[C@H](CCCC#N)[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246597298 948331024 /nfs/dbraw/zinc/33/10/24/948331024.db2.gz SKNDLSLNHNSGSN-CYBMUJFWSA-N 2 0 250.390 1.096 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@@H](O)CCC)CC1 ZINC001252789793 951642951 /nfs/dbraw/zinc/64/29/51/951642951.db2.gz NNZLFTWNNPNLAC-KRWDZBQOSA-N 2 0 295.471 1.439 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001326531061 954420997 /nfs/dbraw/zinc/42/09/97/954420997.db2.gz QNGIHGDQYINFMY-BZUAXINKSA-N 2 0 291.439 1.369 20 30 CDEDRP C[C@@H](CCNC(=O)NCC#CC[NH+](C)C)[NH+]1CCCCC1 ZINC001312483010 956802665 /nfs/dbraw/zinc/80/26/65/956802665.db2.gz FHJVKPTURVGDHF-HNNXBMFYSA-N 2 0 294.443 1.115 20 30 CDEDRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CC#CC[NH+](C)C ZINC001335381730 959756677 /nfs/dbraw/zinc/75/66/77/959756677.db2.gz MKZPJKAXSKFMCB-ZBFHGGJFSA-N 2 0 260.381 1.306 20 30 CDEDRP C[NH+]1CCC(C[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC001338460245 961813304 /nfs/dbraw/zinc/81/33/04/961813304.db2.gz HABWVTMXWKQCNG-CYBMUJFWSA-N 2 0 253.390 1.219 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001341605549 963479820 /nfs/dbraw/zinc/47/98/20/963479820.db2.gz OKYCZNRSDHEONV-HUUCEWRRSA-N 2 0 279.428 1.757 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CC=C)CC1 ZINC001341698000 963515797 /nfs/dbraw/zinc/51/57/97/963515797.db2.gz XRZKRVCDNOADMO-CQSZACIVSA-N 2 0 265.401 1.437 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001100419226 968291230 /nfs/dbraw/zinc/29/12/30/968291230.db2.gz RHJMLSQIIZIGEB-UYSNPLJNSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001100447265 968380399 /nfs/dbraw/zinc/38/03/99/968380399.db2.gz UYXNESMKXJCMAC-UYSNPLJNSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100619908 968809389 /nfs/dbraw/zinc/80/93/89/968809389.db2.gz OFHWGKYCFVRNGC-UHFFFAOYSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001100681085 968938300 /nfs/dbraw/zinc/93/83/00/968938300.db2.gz VHNMTIGEFYEMNU-UHFFFAOYSA-N 2 0 279.428 1.389 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N(CCC)C1CC[NH2+]CC1 ZINC001357326825 969570653 /nfs/dbraw/zinc/57/06/53/969570653.db2.gz OGTYONAHRIYWBN-AWEZNQCLSA-N 2 0 267.417 1.661 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NCC1C[NH2+]C1 ZINC001357443046 969589670 /nfs/dbraw/zinc/58/96/70/969589670.db2.gz CVQJDKNABOWFJG-CYBMUJFWSA-N 2 0 255.406 1.400 20 30 CDEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001499339543 974239343 /nfs/dbraw/zinc/23/93/43/974239343.db2.gz MXAQGZCGNUYYDH-CQSZACIVSA-N 2 0 281.444 1.777 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001499935783 974340271 /nfs/dbraw/zinc/34/02/71/974340271.db2.gz MTQQWECTAGOMRT-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](CC)[NH+](C)C ZINC001401243760 975540115 /nfs/dbraw/zinc/54/01/15/975540115.db2.gz POYUGGFYBHHSIC-NEPJUHHUSA-N 2 0 275.824 1.516 20 30 CDEDRP C=CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132153102 1163184075 /nfs/dbraw/zinc/18/40/75/1163184075.db2.gz NHZBISLDSQSUTO-UONOGXRCSA-N 2 0 281.444 1.872 20 30 CDEDRP C#CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132411117 1163279003 /nfs/dbraw/zinc/27/90/03/1163279003.db2.gz UDHJELIIFFBMRZ-GJZGRUSLSA-N 2 0 279.428 1.321 20 30 CDEDRP C#CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH2+]CC1 ZINC001574583081 1170994824 /nfs/dbraw/zinc/99/48/24/1170994824.db2.gz DCCSKTKLPKRWAJ-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)COCC[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001574835620 1171022605 /nfs/dbraw/zinc/02/26/05/1171022605.db2.gz CRJKBUFJMBCRMZ-UHFFFAOYSA-N 2 0 279.384 1.372 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001574908414 1171047083 /nfs/dbraw/zinc/04/70/83/1171047083.db2.gz MXFSPYKAVMKNDT-GJZGRUSLSA-N 2 0 279.428 1.803 20 30 CDEDRP C=CCN1CC[C@@H]([NH+]2CCC3(CCC[C@H]3C[NH3+])CC2)C1=O ZINC001574936962 1171055777 /nfs/dbraw/zinc/05/57/77/1171055777.db2.gz QGEHFJYVXGJUSH-LSDHHAIUSA-N 2 0 291.439 1.614 20 30 CDEDRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(CC#N)CC1 ZINC000591570968 342637519 /nfs/dbraw/zinc/63/75/19/342637519.db2.gz MFAWLLUKGQTRKR-GDBMZVCRSA-N 2 0 278.444 1.875 20 30 CDEDRP C[N@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)C1CCCCC1 ZINC000594440529 342907109 /nfs/dbraw/zinc/90/71/09/342907109.db2.gz DWHJQVPYRILYBH-OAHLLOKOSA-N 2 0 294.443 1.778 20 30 CDEDRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1C[N@H+](CCC(C)(C)C#N)C2 ZINC001578841423 1172024140 /nfs/dbraw/zinc/02/41/40/1172024140.db2.gz CQNUEPGJLFBBEJ-TYNCELHUSA-N 2 0 279.384 1.139 20 30 CDEDRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598585587 343834889 /nfs/dbraw/zinc/83/48/89/343834889.db2.gz GJOJFERWOFESPK-HNNXBMFYSA-N 2 0 281.444 1.951 20 30 CDEDRP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000598592948 343838711 /nfs/dbraw/zinc/83/87/11/343838711.db2.gz OKNNBYGVOFWJOU-LSDHHAIUSA-N 2 0 279.428 1.705 20 30 CDEDRP CC[NH+](CC)CCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598705056 343877307 /nfs/dbraw/zinc/87/73/07/343877307.db2.gz XSKQKYVMPAQHGD-CYBMUJFWSA-N 2 0 255.406 1.609 20 30 CDEDRP CN1CC[C@@](O)(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000613040953 347381289 /nfs/dbraw/zinc/38/12/89/347381289.db2.gz MKZOTTZCJUFCIS-DLBZAZTESA-N 2 0 285.391 1.592 20 30 CDEDRP COc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1C#N ZINC000602020777 350045762 /nfs/dbraw/zinc/04/57/62/350045762.db2.gz NVCOEADJVNEXNO-SMDDNHRTSA-N 2 0 259.353 1.593 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccccc1F ZINC000264059839 362953500 /nfs/dbraw/zinc/95/35/00/362953500.db2.gz CJLJFJJJZUQBGW-AWEZNQCLSA-N 2 0 292.402 1.757 20 30 CDEDRP CCNC(=[NH2+])NCC1CC[NH+](Cc2cccs2)CC1 ZINC000264070926 362957896 /nfs/dbraw/zinc/95/78/96/362957896.db2.gz DCQJNKUQYXZKSM-UHFFFAOYSA-N 2 0 280.441 1.884 20 30 CDEDRP CCNC(=[NH2+])NCc1ccccc1OCC[NH+](C)C ZINC000264087967 362962970 /nfs/dbraw/zinc/96/29/70/362962970.db2.gz KBFJKCYACZQIIJ-UHFFFAOYSA-N 2 0 264.373 1.051 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(OC)c1 ZINC000264121347 362972038 /nfs/dbraw/zinc/97/20/38/362972038.db2.gz REWBLMRRZVSQND-CQSZACIVSA-N 2 0 290.411 1.584 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NCCCC[NH+]1CCC(C)CC1 ZINC000072272484 356718491 /nfs/dbraw/zinc/71/84/91/356718491.db2.gz QTGOCGMCGPDZLD-CQSZACIVSA-N 2 0 284.448 1.438 20 30 CDEDRP CCN1CCC([N@H+](C)CCC(=O)N(C)CCC#N)CC1 ZINC000042679759 358963489 /nfs/dbraw/zinc/96/34/89/358963489.db2.gz JRQCFIWBQBQINI-UHFFFAOYSA-N 2 0 280.416 1.165 20 30 CDEDRP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170912033 365162679 /nfs/dbraw/zinc/16/26/79/365162679.db2.gz LELGPZQTFLWBFP-CYBMUJFWSA-N 2 0 275.400 1.929 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC)CC[NH3+])CC1 ZINC000626970099 367104043 /nfs/dbraw/zinc/10/40/43/367104043.db2.gz GOVSTEYGTPVUBQ-UHFFFAOYSA-N 2 0 268.405 1.017 20 30 CDEDRP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524045 375805175 /nfs/dbraw/zinc/80/51/75/375805175.db2.gz HGZHOSATSWDEAQ-AWEZNQCLSA-N 2 0 294.443 1.411 20 30 CDEDRP C=CCOCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638973052 376302564 /nfs/dbraw/zinc/30/25/64/376302564.db2.gz XBCJCBKRFCEEQV-UHFFFAOYSA-N 2 0 256.390 1.014 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000417518295 377791048 /nfs/dbraw/zinc/79/10/48/377791048.db2.gz BCLBPINBANOYHO-ZFWWWQNUSA-N 2 0 294.443 1.467 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](C)[NH2+]C1CC1)C(C)C ZINC000296361814 378727905 /nfs/dbraw/zinc/72/79/05/378727905.db2.gz JNMOQIMRTKKLRF-ZBFHGGJFSA-N 2 0 293.455 1.942 20 30 CDEDRP C[C@H](C[NH2+]Cc1ccc(C#N)o1)CN1CC[NH+](C)CC1 ZINC000174349668 379458267 /nfs/dbraw/zinc/45/82/67/379458267.db2.gz AYLVDXWFRAXUNS-CYBMUJFWSA-N 2 0 276.384 1.124 20 30 CDEDRP C[N@H+](CCCNC(=[NH2+])N1CCOCC1)Cc1ccccc1 ZINC000104157418 390485511 /nfs/dbraw/zinc/48/55/11/390485511.db2.gz VFQFBJDKVVUXRT-UHFFFAOYSA-N 2 0 290.411 1.155 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000104171801 390485544 /nfs/dbraw/zinc/48/55/44/390485544.db2.gz SODNPJNBTHWRIQ-GFCCVEGCSA-N 2 0 278.400 1.187 20 30 CDEDRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442724361 391747817 /nfs/dbraw/zinc/74/78/17/391747817.db2.gz ZHCQOTVYWMMBRQ-HZPDHXFCSA-N 2 0 278.444 1.686 20 30 CDEDRP C[NH+]=C(NCc1ccoc1)NCC1([NH+](C)C)CCCC1 ZINC000262986506 391871838 /nfs/dbraw/zinc/87/18/38/391871838.db2.gz UVZFQVHJVNZPAK-UHFFFAOYSA-N 2 0 278.400 1.819 20 30 CDEDRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000219309872 140166904 /nfs/dbraw/zinc/16/69/04/140166904.db2.gz DXMHCROVGHYAJX-ZDUSSCGKSA-N 2 0 261.369 1.787 20 30 CDEDRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1C#N ZINC000261728146 140380878 /nfs/dbraw/zinc/38/08/78/140380878.db2.gz KXEUVQCIWNLTHX-RRFJBIMHSA-N 2 0 271.364 1.736 20 30 CDEDRP C=CCNC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290067 414618211 /nfs/dbraw/zinc/61/82/11/414618211.db2.gz HUDBAMFRHNLQHB-CQSZACIVSA-N 2 0 265.401 1.000 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000357959074 266389459 /nfs/dbraw/zinc/38/94/59/266389459.db2.gz ODZDJLCLEXPMMZ-CQSZACIVSA-N 2 0 296.459 1.665 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000367664014 267107145 /nfs/dbraw/zinc/10/71/45/267107145.db2.gz HQEGTDCZWUBXKZ-WMLDXEAASA-N 2 0 291.439 1.533 20 30 CDEDRP CC(C)(CCC#N)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000304316400 267798530 /nfs/dbraw/zinc/79/85/30/267798530.db2.gz OOYFSPDVOMVFEC-UHFFFAOYSA-N 2 0 267.417 1.753 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(C#N)c1 ZINC000103211855 270234212 /nfs/dbraw/zinc/23/42/12/270234212.db2.gz DQIXKOHKZYJHCV-UHFFFAOYSA-N 2 0 288.395 1.124 20 30 CDEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000333562042 303160599 /nfs/dbraw/zinc/16/05/99/303160599.db2.gz LCTLRSRZJIOKLK-XLWJZTARSA-N 2 0 263.385 1.425 20 30 CDEDRP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(CCOC(C)C)CC1 ZINC000177486380 329184580 /nfs/dbraw/zinc/18/45/80/329184580.db2.gz IMCYEDVBOLXEIY-AWEZNQCLSA-N 2 0 297.443 1.156 20 30 CDEDRP CC/[NH+]=C(\N(C)C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262492973 330017436 /nfs/dbraw/zinc/01/74/36/330017436.db2.gz VLOPYUZIBBOTSW-LTOKCNDWSA-N 2 0 252.406 1.484 20 30 CDEDRP C[NH+]=C(NC[C@H]1CCCO1)NCC1([NH+](C)C)CCCC1 ZINC000262523643 330022801 /nfs/dbraw/zinc/02/28/01/330022801.db2.gz FWFFMOCXOIZVTA-CYBMUJFWSA-N 2 0 282.432 1.205 20 30 CDEDRP CC[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@H]1C)NC1CC1 ZINC000263226637 330049826 /nfs/dbraw/zinc/04/98/26/330049826.db2.gz GRXDIPOLAIPMTQ-OLZOCXBDSA-N 2 0 266.433 1.967 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000424125632 330258722 /nfs/dbraw/zinc/25/87/22/330258722.db2.gz ALDICFSKARGKKG-OAHLLOKOSA-N 2 0 292.427 1.484 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000424144884 330290019 /nfs/dbraw/zinc/29/00/19/330290019.db2.gz MLKFKSXUOIWHBE-CABCVRRESA-N 2 0 292.427 1.342 20 30 CDEDRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]([NH3+])CCCC#N ZINC000424149278 330295813 /nfs/dbraw/zinc/29/58/13/330295813.db2.gz WFAXKFDTVMQBKM-UONOGXRCSA-N 2 0 280.416 1.340 20 30 CDEDRP C=CCC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000121062252 330395918 /nfs/dbraw/zinc/39/59/18/330395918.db2.gz PZNDQXFAFSKRMB-ZBFHGGJFSA-N 2 0 265.445 1.957 20 30 CDEDRP C=CC[C@H](C)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433154449 330618432 /nfs/dbraw/zinc/61/84/32/330618432.db2.gz UCZYVCGOPRTFLL-LBPRGKRZSA-N 2 0 253.390 1.271 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000490604074 332094758 /nfs/dbraw/zinc/09/47/58/332094758.db2.gz HKHPGJBVYRMPFH-UHFFFAOYSA-N 2 0 291.439 1.180 20 30 CDEDRP C#CCNC(=O)C1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000491200737 332164225 /nfs/dbraw/zinc/16/42/25/332164225.db2.gz CCMGIXLDIRAFRM-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001755320832 1159834373 /nfs/dbraw/zinc/83/43/73/1159834373.db2.gz ZSJUDKBGDZEFCD-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089559484 1161219286 /nfs/dbraw/zinc/21/92/86/1161219286.db2.gz PKXBPBXOFFMAGK-LSDHHAIUSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001113345664 1162159354 /nfs/dbraw/zinc/15/93/54/1162159354.db2.gz BBZMSGFRVNBTKW-LSDHHAIUSA-N 2 0 279.428 1.295 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001113679102 1162252637 /nfs/dbraw/zinc/25/26/37/1162252637.db2.gz BQKGCCHBZHAOME-UHFFFAOYSA-N 2 0 279.428 1.583 20 30 CDEDRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000049557004 524163402 /nfs/dbraw/zinc/16/34/02/524163402.db2.gz OCMUUHCKWNLNQW-IUODEOHRSA-N 2 0 261.369 1.521 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCCC[NH+]1CCCCC1 ZINC000763952850 576767847 /nfs/dbraw/zinc/76/78/47/576767847.db2.gz NSHOVASCSJEWME-UHFFFAOYSA-N 2 0 253.390 1.096 20 30 CDEDRP C[C@@H]1C[C@@H](C)C[NH+]([C@@H]2CCCCC2N=NC(N)=[NH2+])C1 ZINC000751516747 577046886 /nfs/dbraw/zinc/04/68/86/577046886.db2.gz MECTXRQSWONNAE-NQBHXWOUSA-N 2 0 265.405 1.746 20 30 CDEDRP C#CCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974993598 613036891 /nfs/dbraw/zinc/03/68/91/613036891.db2.gz IPZIQQDOUJYXPT-HNNXBMFYSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000950491079 613257748 /nfs/dbraw/zinc/25/77/48/613257748.db2.gz ISYOIGVWGQMTJH-OAHLLOKOSA-N 2 0 279.428 1.581 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC000971715350 613283675 /nfs/dbraw/zinc/28/36/75/613283675.db2.gz GDHOLBGYKAZPIS-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971544047 613285332 /nfs/dbraw/zinc/28/53/32/613285332.db2.gz WDMURQSUABKVAS-CVEARBPZSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000981311507 613350813 /nfs/dbraw/zinc/35/08/13/613350813.db2.gz NDSCLDCLXAOULX-HOTGVXAUSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000969676968 613486319 /nfs/dbraw/zinc/48/63/19/613486319.db2.gz KNSYDKFRUQEWHC-BBRMVZONSA-N 2 0 291.439 1.341 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000981957921 613493242 /nfs/dbraw/zinc/49/32/42/613493242.db2.gz ZVYTWPWHKJLVJN-HNNXBMFYSA-N 2 0 279.428 1.439 20 30 CDEDRP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000981168745 613494692 /nfs/dbraw/zinc/49/46/92/613494692.db2.gz JBMGVPJFWJRUOA-MRXNPFEDSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000971560783 613632185 /nfs/dbraw/zinc/63/21/85/613632185.db2.gz LAUCZLNGWYUHPY-HZSPNIEDSA-N 2 0 265.401 1.045 20 30 CDEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000969795568 613668633 /nfs/dbraw/zinc/66/86/33/613668633.db2.gz HEFNLPFDOIJUCO-ZFWWWQNUSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000981825082 613694360 /nfs/dbraw/zinc/69/43/60/613694360.db2.gz HLJXLISQYNPGSJ-GJZGRUSLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC000965923126 613857810 /nfs/dbraw/zinc/85/78/10/613857810.db2.gz WQPIOHUTBYMACC-UHFFFAOYSA-N 2 0 277.412 1.285 20 30 CDEDRP C[C@H](CCC#N)C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000894378061 618834711 /nfs/dbraw/zinc/83/47/11/618834711.db2.gz LCERAHLKYBIKAZ-OAHLLOKOSA-N 2 0 266.433 1.543 20 30 CDEDRP C=CCNC(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)=[NH+]C(C)(C)C ZINC000912496757 630029958 /nfs/dbraw/zinc/02/99/58/630029958.db2.gz FKHHKGCKUPAKBK-UONOGXRCSA-N 2 0 294.443 1.369 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130190460 1162565929 /nfs/dbraw/zinc/56/59/29/1162565929.db2.gz ZSXIEAIATVFMFP-UONOGXRCSA-N 2 0 265.401 1.285 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001085244947 1161937417 /nfs/dbraw/zinc/93/74/17/1161937417.db2.gz FQOGISMOYZGAOL-KFWWJZLASA-N 2 0 277.412 1.121 20 30 CDEDRP C=CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001108421094 1161992082 /nfs/dbraw/zinc/99/20/82/1161992082.db2.gz GUTCYBKCRORNPQ-MRXNPFEDSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001135474660 1164143816 /nfs/dbraw/zinc/14/38/16/1164143816.db2.gz WRKGBFJCRUBSKK-OAHLLOKOSA-N 2 0 299.459 1.261 20 30 CDEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCOCCC[NH3+] ZINC001575935327 1171298763 /nfs/dbraw/zinc/29/87/63/1171298763.db2.gz YRFFEUPNRVYPSL-ZDUSSCGKSA-N 2 0 269.389 1.040 20 30 CDEDRP C=C(C)C[N@H+](C)CCCNC(=O)Cc1[nH]cnc1C ZINC001752103676 1184820818 /nfs/dbraw/zinc/82/08/18/1184820818.db2.gz IWNHWPHITAOVTJ-UHFFFAOYSA-N 2 0 264.373 1.275 20 30 CDEDRP C=C(Cl)C[N@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001752231387 1184839497 /nfs/dbraw/zinc/83/94/97/1184839497.db2.gz IBEVMUUOOCKWCC-ZDUSSCGKSA-N 2 0 287.835 1.519 20 30 CDEDRP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001753302766 1185148090 /nfs/dbraw/zinc/14/80/90/1185148090.db2.gz JBOCNXGPZGWHJK-HOTGVXAUSA-N 2 0 285.391 1.018 20 30 CDEDRP C=CCC[NH2+]C[C@@](C)(NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001753528164 1185248820 /nfs/dbraw/zinc/24/88/20/1185248820.db2.gz LRCSLIAURIMVNW-WMLDXEAASA-N 2 0 293.455 1.779 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001753896534 1185384620 /nfs/dbraw/zinc/38/46/20/1185384620.db2.gz CDLLCPYRTUZRHN-GJZGRUSLSA-N 2 0 291.439 1.533 20 30 CDEDRP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](CC)[NH+](CC)CC ZINC001754325156 1185579160 /nfs/dbraw/zinc/57/91/60/1185579160.db2.gz JSKCSJPLGCUANR-KGLIPLIRSA-N 2 0 267.417 1.177 20 30 CDEDRP C=C(C)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001754531726 1185662042 /nfs/dbraw/zinc/66/20/42/1185662042.db2.gz LZAKKIZTVCLTCL-CYBMUJFWSA-N 2 0 265.401 1.143 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001754580674 1185673487 /nfs/dbraw/zinc/67/34/87/1185673487.db2.gz IMHDRFSEHNBPQF-CQSZACIVSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001754713773 1185712104 /nfs/dbraw/zinc/71/21/04/1185712104.db2.gz XUPAYHLPUNFHNW-KRWDZBQOSA-N 2 0 293.455 1.877 20 30 CDEDRP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001754806110 1185735747 /nfs/dbraw/zinc/73/57/47/1185735747.db2.gz XEUHTARSFNLVCK-CABCVRRESA-N 2 0 279.428 1.178 20 30 CDEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001755391342 1185939651 /nfs/dbraw/zinc/93/96/51/1185939651.db2.gz JENOXHRIZAUGRT-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP CC#CC[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001755611068 1186011640 /nfs/dbraw/zinc/01/16/40/1186011640.db2.gz LZLUKDQRZVZFAP-OAHLLOKOSA-N 2 0 293.455 1.567 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000996722460 705351620 /nfs/dbraw/zinc/35/16/20/705351620.db2.gz PLARYGCTLOBOMZ-UHFFFAOYSA-N 2 0 289.423 1.076 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001028762462 705372046 /nfs/dbraw/zinc/37/20/46/705372046.db2.gz NDRUKAGSCJBAOD-JYJNAYRXSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999795407 705547774 /nfs/dbraw/zinc/54/77/74/705547774.db2.gz YSQKKRXMFNRVEJ-HZPDHXFCSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001018966634 705557844 /nfs/dbraw/zinc/55/78/44/705557844.db2.gz ONOUQRCAICGCDO-LSDHHAIUSA-N 2 0 279.428 1.626 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001052869434 705612627 /nfs/dbraw/zinc/61/26/27/705612627.db2.gz DONUAEPCMYVYFO-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001031772029 705623658 /nfs/dbraw/zinc/62/36/58/705623658.db2.gz MBNYTJXNJBPWHP-CQSZACIVSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033659571 705698931 /nfs/dbraw/zinc/69/89/31/705698931.db2.gz DFYYUAAEEPMNCX-GJZGRUSLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001045638552 705731281 /nfs/dbraw/zinc/73/12/81/705731281.db2.gz GTFQTJJLQZKIRW-ZDUSSCGKSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000813618490 705859979 /nfs/dbraw/zinc/85/99/79/705859979.db2.gz LUAALNQZTWDPFI-HNNXBMFYSA-N 2 0 293.386 1.662 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001054852938 705897208 /nfs/dbraw/zinc/89/72/08/705897208.db2.gz AKJNYCVKYHSRBO-GJZGRUSLSA-N 2 0 291.439 1.627 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001003842096 705945973 /nfs/dbraw/zinc/94/59/73/705945973.db2.gz VBHACSHPUOYLHI-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001000187330 705959142 /nfs/dbraw/zinc/95/91/42/705959142.db2.gz WXMVIUNYLQQJIU-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001076146196 706008923 /nfs/dbraw/zinc/00/89/23/706008923.db2.gz LBOTTWQHVBMLFN-HRCADAONSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001016336050 706009848 /nfs/dbraw/zinc/00/98/48/706009848.db2.gz AATBDTWVKWYGCA-OAHLLOKOSA-N 2 0 287.407 1.738 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000999620912 706016380 /nfs/dbraw/zinc/01/63/80/706016380.db2.gz PCQNNRWWZOXDRR-AWEZNQCLSA-N 2 0 284.363 1.715 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052932365 706193881 /nfs/dbraw/zinc/19/38/81/706193881.db2.gz MUZVZFGCFLFBDW-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CCN1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001039051267 706194184 /nfs/dbraw/zinc/19/41/84/706194184.db2.gz UYYXSOZLTJPSJV-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC000996137843 706206695 /nfs/dbraw/zinc/20/66/95/706206695.db2.gz SHMSVGRAQKTHHS-AWEZNQCLSA-N 2 0 293.455 1.873 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000303779361 706239778 /nfs/dbraw/zinc/23/97/78/706239778.db2.gz KKKDTKIQXIJARQ-CQSZACIVSA-N 2 0 284.448 1.438 20 30 CDEDRP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)C1 ZINC001072828604 709749535 /nfs/dbraw/zinc/74/95/35/709749535.db2.gz IDGVPDNBTPTQBK-ZIAGYGMSSA-N 2 0 298.390 1.071 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC000986352525 709804348 /nfs/dbraw/zinc/80/43/48/709804348.db2.gz HJJGZLFVKONQBD-UKRRQHHQSA-N 2 0 279.428 1.626 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)SC ZINC000305183872 709814391 /nfs/dbraw/zinc/81/43/91/709814391.db2.gz DBTDTWONIPRVOZ-QWRGUYRKSA-N 2 0 258.435 1.127 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015289044 709836477 /nfs/dbraw/zinc/83/64/77/709836477.db2.gz IDHOLYIAPXQHLT-CQSZACIVSA-N 2 0 284.363 1.715 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001026400803 709836958 /nfs/dbraw/zinc/83/69/58/709836958.db2.gz PYHAXJAQOSOVPG-RRFJBIMHSA-N 2 0 289.423 1.095 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001020679286 709838580 /nfs/dbraw/zinc/83/85/80/709838580.db2.gz LUURQTYPBGYFPJ-HDJSIYSDSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049696124 709853104 /nfs/dbraw/zinc/85/31/04/709853104.db2.gz XRQYJGSMHWZBOX-CVEARBPZSA-N 2 0 291.439 1.580 20 30 CDEDRP C[NH+](C)CC1(O)CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000931481071 709854569 /nfs/dbraw/zinc/85/45/69/709854569.db2.gz CIIUBEIGMWGBJA-OLZOCXBDSA-N 2 0 251.374 1.067 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001020151026 709861800 /nfs/dbraw/zinc/86/18/00/709861800.db2.gz IGKWMDGWYLJDCN-HDJSIYSDSA-N 2 0 277.412 1.121 20 30 CDEDRP C[C@H]1C(N=NC(N)=[NH2+])CCC[N@@H+]1Cc1ccccc1 ZINC000814796606 709866075 /nfs/dbraw/zinc/86/60/75/709866075.db2.gz IFHXBGMUENYRAS-NSHDSACASA-N 2 0 259.357 1.510 20 30 CDEDRP CCCCCCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000109192286 709876797 /nfs/dbraw/zinc/87/67/97/709876797.db2.gz DAMDKLBHDDLBDP-CQSZACIVSA-N 2 0 269.433 1.744 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001020589732 709878634 /nfs/dbraw/zinc/87/86/34/709878634.db2.gz APYPPARTUZCILN-XJKCOSOUSA-N 2 0 295.402 1.069 20 30 CDEDRP CCOCCCNC(=[NH2+])NCC[NH+](C(C)C)C(C)C ZINC000104153831 709904785 /nfs/dbraw/zinc/90/47/85/709904785.db2.gz WBQUIGCPPBDBKH-UHFFFAOYSA-N 2 0 272.437 1.436 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015051732 709921314 /nfs/dbraw/zinc/92/13/14/709921314.db2.gz DVKZOBDHPGIROU-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014457438 709979256 /nfs/dbraw/zinc/97/92/56/709979256.db2.gz PSCNFBLCWOCIMZ-HUUCEWRRSA-N 2 0 277.412 1.095 20 30 CDEDRP COc1cccc(NC(=[NH2+])NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000104192923 710032457 /nfs/dbraw/zinc/03/24/57/710032457.db2.gz NPSMYFSVZSPOCL-NSHDSACASA-N 2 0 276.384 1.905 20 30 CDEDRP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001034217079 710054874 /nfs/dbraw/zinc/05/48/74/710054874.db2.gz OPCBLJGUIVZPRT-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1(C)C ZINC000996669470 710055230 /nfs/dbraw/zinc/05/52/30/710055230.db2.gz GAKQBEBWIFIQNO-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP CC(C)(O)C[NH+]1CCC(=NNCC[NH+]2CCCCC2)CC1 ZINC000814219466 710098980 /nfs/dbraw/zinc/09/89/80/710098980.db2.gz YUBSUFRZKQWMSY-UHFFFAOYSA-N 2 0 296.459 1.285 20 30 CDEDRP C#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073454737 710169365 /nfs/dbraw/zinc/16/93/65/710169365.db2.gz QNZNCYPGJYGQFA-GASCZTMLSA-N 2 0 289.423 1.027 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033474420 710172002 /nfs/dbraw/zinc/17/20/02/710172002.db2.gz HEOOWLIXWIXQQP-MRXNPFEDSA-N 2 0 291.439 1.274 20 30 CDEDRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000925893134 710172664 /nfs/dbraw/zinc/17/26/64/710172664.db2.gz LQNVXTVSTLYCQQ-GXTWGEPZSA-N 2 0 273.384 1.343 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC000995920943 710229344 /nfs/dbraw/zinc/22/93/44/710229344.db2.gz WOVKYGNWKXXFMI-HNNXBMFYSA-N 2 0 293.455 1.873 20 30 CDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(C[NH3+])c1)C2 ZINC000884006848 710261021 /nfs/dbraw/zinc/26/10/21/710261021.db2.gz FTPKPRKRMHCZCH-MFOWVQHXSA-N 2 0 284.363 1.223 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001034606577 710289367 /nfs/dbraw/zinc/28/93/67/710289367.db2.gz BGWDMVKCMHEEHB-RBSFLKMASA-N 2 0 279.428 1.674 20 30 CDEDRP C=CC[N@H+]1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001001376588 710292137 /nfs/dbraw/zinc/29/21/37/710292137.db2.gz OUXSCGPAUFMXSF-UHFFFAOYSA-N 2 0 275.396 1.017 20 30 CDEDRP NC(=[NH2+])N=NC1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000781123999 710323898 /nfs/dbraw/zinc/32/38/98/710323898.db2.gz RUTAEIUKYLVWOK-KBPBESRZSA-N 2 0 285.395 1.758 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000820196646 710359851 /nfs/dbraw/zinc/35/98/51/710359851.db2.gz GPEIPHMSUKVVAZ-UHFFFAOYSA-N 2 0 293.455 1.568 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001028637075 710392716 /nfs/dbraw/zinc/39/27/16/710392716.db2.gz UITBNPDTCHYARC-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049515637 710418186 /nfs/dbraw/zinc/41/81/86/710418186.db2.gz QVHUTPITFUVCDW-CABCVRRESA-N 2 0 289.423 1.169 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000999310349 710430950 /nfs/dbraw/zinc/43/09/50/710430950.db2.gz XITXBGNONCHOHK-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C[C@@H]1C[NH+](CCCNC(=[NH2+])NCC2CCC2)C[C@@H](C)O1 ZINC000303788100 710435351 /nfs/dbraw/zinc/43/53/51/710435351.db2.gz TWOPLCIAZQEXSK-CHWSQXEVSA-N 2 0 282.432 1.190 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001036869909 710437604 /nfs/dbraw/zinc/43/76/04/710437604.db2.gz MAERLWCVTSEXOB-HUUCEWRRSA-N 2 0 289.423 1.191 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001019812400 710461177 /nfs/dbraw/zinc/46/11/77/710461177.db2.gz NACHZTPXCITFAQ-HNNXBMFYSA-N 2 0 279.428 1.629 20 30 CDEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001046373336 710468395 /nfs/dbraw/zinc/46/83/95/710468395.db2.gz XROKFVIPZONIRI-BBRMVZONSA-N 2 0 288.395 1.527 20 30 CDEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001007951953 710580809 /nfs/dbraw/zinc/58/08/09/710580809.db2.gz PDTURNZTCMWSBB-CQSZACIVSA-N 2 0 284.363 1.715 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001038622267 710586662 /nfs/dbraw/zinc/58/66/62/710586662.db2.gz IPQNYPFAQVHYKE-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP CCCCNC(=[NH2+])NC[C@@H](Cc1ccccc1)N(C)C ZINC000303787015 710680110 /nfs/dbraw/zinc/68/01/10/710680110.db2.gz RZBXMHDAQJSSHI-OAHLLOKOSA-N 2 0 276.428 1.864 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001033774423 710736970 /nfs/dbraw/zinc/73/69/70/710736970.db2.gz JJAUDZDFFARWCM-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+](C)C ZINC000876712428 710747968 /nfs/dbraw/zinc/74/79/68/710747968.db2.gz RGRSXYAIBFXXDJ-AWEZNQCLSA-N 2 0 295.814 1.834 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000998188817 710802405 /nfs/dbraw/zinc/80/24/05/710802405.db2.gz KNKFRTSLCQOKFH-HZPDHXFCSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999379469 710822958 /nfs/dbraw/zinc/82/29/58/710822958.db2.gz YTKHIVAITUVVLA-KGLIPLIRSA-N 2 0 299.846 1.660 20 30 CDEDRP C#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001042093801 710831774 /nfs/dbraw/zinc/83/17/74/710831774.db2.gz BQHCDNQAYZKLCR-GDBMZVCRSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001024531902 711368480 /nfs/dbraw/zinc/36/84/80/711368480.db2.gz ZQKHRNCNAYUAMW-HNNXBMFYSA-N 2 0 291.439 1.772 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028985886 711474404 /nfs/dbraw/zinc/47/44/04/711474404.db2.gz NTWRWIKRPJPCJO-HUUCEWRRSA-N 2 0 279.428 1.342 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015051731 711490776 /nfs/dbraw/zinc/49/07/76/711490776.db2.gz DVKZOBDHPGIROU-HOTGVXAUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001074655011 711499263 /nfs/dbraw/zinc/49/92/63/711499263.db2.gz RBFGFHNDDNHYPW-IMJJTQAJSA-N 2 0 291.439 1.483 20 30 CDEDRP CC1CC[NH+](CCNC(=[NH2+])N2CCC[C@H](C)C2)CC1 ZINC000303908548 711508222 /nfs/dbraw/zinc/50/82/22/711508222.db2.gz XPCDEHCQHQQSAF-AWEZNQCLSA-N 2 0 266.433 1.765 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001031846776 711521937 /nfs/dbraw/zinc/52/19/37/711521937.db2.gz ZXEYIFCPFPZYPB-UHFFFAOYSA-N 2 0 270.336 1.182 20 30 CDEDRP C[NH+](C)Cc1cccc(CNC(=[NH2+])NCC2CCC2)c1 ZINC000303909055 711532082 /nfs/dbraw/zinc/53/20/82/711532082.db2.gz YBDAHSZZYSZUFK-UHFFFAOYSA-N 2 0 274.412 1.953 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001038329197 711554985 /nfs/dbraw/zinc/55/49/85/711554985.db2.gz OXVKSWUYZASVTE-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001021088331 711595225 /nfs/dbraw/zinc/59/52/25/711595225.db2.gz NAHVPBJNQXNBQE-AAVRWANBSA-N 2 0 299.846 1.849 20 30 CDEDRP CC#CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001038341639 711600062 /nfs/dbraw/zinc/60/00/62/711600062.db2.gz SKWIZUJJVVZMRU-HZPDHXFCSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001034681613 711603443 /nfs/dbraw/zinc/60/34/43/711603443.db2.gz XNXJXNNYVBJUJP-SHTZXODSSA-N 2 0 296.374 1.598 20 30 CDEDRP CC1CC[NH+](CCCCNC2=[NH+]CCN2C)CC1 ZINC000848989223 711683932 /nfs/dbraw/zinc/68/39/32/711683932.db2.gz HBSGPKUSEPSNFN-UHFFFAOYSA-N 2 0 252.406 1.390 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001015859021 711704120 /nfs/dbraw/zinc/70/41/20/711704120.db2.gz ZTBNWMOYOMNZKV-QGZVFWFLSA-N 2 0 299.418 1.576 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001032095051 711704407 /nfs/dbraw/zinc/70/44/07/711704407.db2.gz UAQHSGZLFIPXKC-UHFFFAOYSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001019023347 711732235 /nfs/dbraw/zinc/73/22/35/711732235.db2.gz MILKFGLHGRBZQW-AWEZNQCLSA-N 2 0 277.412 1.239 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001038863154 711741582 /nfs/dbraw/zinc/74/15/82/711741582.db2.gz KIPUYSYPPWUGHD-MRXNPFEDSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000883166703 711754814 /nfs/dbraw/zinc/75/48/14/711754814.db2.gz HCQFLYWUKMYWNQ-IRXDYDNUSA-N 2 0 295.471 1.727 20 30 CDEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001028335315 711761769 /nfs/dbraw/zinc/76/17/69/711761769.db2.gz SEHMQBKIZGDQRR-INIZCTEOSA-N 2 0 299.418 1.576 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001049892036 711767478 /nfs/dbraw/zinc/76/74/78/711767478.db2.gz YXFFHKIONYSGHH-HRCADAONSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001019290250 711787843 /nfs/dbraw/zinc/78/78/43/711787843.db2.gz XNZBRXSWVUTMAI-IHRRRGAJSA-N 2 0 265.401 1.093 20 30 CDEDRP [NH2+]=C(NCC[NH+]1CCCC1)NC1CCCCCC1 ZINC000179857852 711791107 /nfs/dbraw/zinc/79/11/07/711791107.db2.gz HBLMWZPYYKSBLX-UHFFFAOYSA-N 2 0 252.406 1.709 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001005416637 711816360 /nfs/dbraw/zinc/81/63/60/711816360.db2.gz WKBSKQYZBXFHSL-JKSUJKDBSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CCN1CC[C@H]1CNC(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001038699302 711817996 /nfs/dbraw/zinc/81/79/96/711817996.db2.gz LUDPOJFPPUAFFP-KGLIPLIRSA-N 2 0 288.395 1.130 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001034736995 711822201 /nfs/dbraw/zinc/82/22/01/711822201.db2.gz GIBYOHWDLPVISV-AJNGGQMLSA-N 2 0 279.428 1.387 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)Cc2cncn2C)[C@H]1C ZINC000994213068 711825577 /nfs/dbraw/zinc/82/55/77/711825577.db2.gz UJUIYDDYLSXPSJ-UKRRQHHQSA-N 2 0 290.411 1.508 20 30 CDEDRP C#CC[NH+]1CCC(N(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001006444601 711825899 /nfs/dbraw/zinc/82/58/99/711825899.db2.gz WIGGDRJBLNIMBG-GASCZTMLSA-N 2 0 291.439 1.415 20 30 CDEDRP CC[NH+]=C(NCC1CCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261733906 711830537 /nfs/dbraw/zinc/83/05/37/711830537.db2.gz JUAKUDHUBCAJNL-SWLSCSKDSA-N 2 0 278.444 1.824 20 30 CDEDRP C[C@](C[NH3+])([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000923296233 711832022 /nfs/dbraw/zinc/83/20/22/711832022.db2.gz PWEOEZXMJJYMAH-GDBMZVCRSA-N 2 0 289.379 1.015 20 30 CDEDRP C#CCC[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001005994727 711836329 /nfs/dbraw/zinc/83/63/29/711836329.db2.gz HQOYUHQXZHLGPW-OAHLLOKOSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114406352 1164848005 /nfs/dbraw/zinc/84/80/05/1164848005.db2.gz AQHSWGYVPCXWOC-FICVDOATSA-N 2 0 291.439 1.483 20 30 CDEDRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)O1 ZINC001173588586 912633376 /nfs/dbraw/zinc/63/33/76/912633376.db2.gz LQLQXMQXTIJABT-ZHGALXRWSA-N 2 0 295.427 1.773 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089336871 914030527 /nfs/dbraw/zinc/03/05/27/914030527.db2.gz ZDKJFXXWZUAFPE-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167628331 897097332 /nfs/dbraw/zinc/09/73/32/897097332.db2.gz ZKIHCVIBGSMWGQ-HNNXBMFYSA-N 2 0 279.428 1.369 20 30 CDEDRP C=C(C)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000060114355 897775891 /nfs/dbraw/zinc/77/58/91/897775891.db2.gz XHRGSDUSGGSUFS-UHFFFAOYSA-N 2 0 255.406 1.295 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001167811961 901034492 /nfs/dbraw/zinc/03/44/92/901034492.db2.gz DRYAPDIJHLMSIT-UHFFFAOYSA-N 2 0 293.455 1.618 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168031368 905951445 /nfs/dbraw/zinc/95/14/45/905951445.db2.gz ZSLOJFNZDOTJLE-CABCVRRESA-N 2 0 279.428 1.675 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001002828552 921251014 /nfs/dbraw/zinc/25/10/14/921251014.db2.gz HHEHACPIWKANOK-INIZCTEOSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001088425534 907148725 /nfs/dbraw/zinc/14/87/25/907148725.db2.gz XWPPOTLPYCWVTD-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001168345593 909135669 /nfs/dbraw/zinc/13/56/69/909135669.db2.gz RMMJZRJMEYVUSS-UHFFFAOYSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C)CC1)C2 ZINC001094992560 912123071 /nfs/dbraw/zinc/12/30/71/912123071.db2.gz DHBYDPSROKVWQS-BPUTZDHNSA-N 2 0 291.439 1.483 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001483935786 915211745 /nfs/dbraw/zinc/21/17/45/915211745.db2.gz ZAXGUROGJIBDEQ-CYBMUJFWSA-N 2 0 299.846 1.804 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001178522223 915480260 /nfs/dbraw/zinc/48/02/60/915480260.db2.gz HSVROBQTKKCWJB-HZPDHXFCSA-N 2 0 293.455 1.616 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@H]1C ZINC001178813431 915636394 /nfs/dbraw/zinc/63/63/94/915636394.db2.gz HAQHWQAALVQJHA-ZNMIVQPWSA-N 2 0 299.434 1.821 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001031766209 915751863 /nfs/dbraw/zinc/75/18/63/915751863.db2.gz CMWDKCXUHOPLDQ-JKSUJKDBSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001179857210 916017437 /nfs/dbraw/zinc/01/74/37/916017437.db2.gz XWCXGCDKAOPTHA-STQMWFEESA-N 2 0 253.390 1.093 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)CCC ZINC001180121725 916167614 /nfs/dbraw/zinc/16/76/14/916167614.db2.gz TUZCXZRWHVJBCG-UHFFFAOYSA-N 2 0 269.433 1.780 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001181885192 917445220 /nfs/dbraw/zinc/44/52/20/917445220.db2.gz SBBKBTIVJXBREL-IIAWOOMASA-N 2 0 281.444 1.587 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182623007 917988672 /nfs/dbraw/zinc/98/86/72/917988672.db2.gz BDSMLVBIWDQRBJ-CVEARBPZSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183165087 918352824 /nfs/dbraw/zinc/35/28/24/918352824.db2.gz MLGGIPLOCIGUHS-BFYDXBDKSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000996664102 918354867 /nfs/dbraw/zinc/35/48/67/918354867.db2.gz SWZLZTPXOVSMNF-HNNXBMFYSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183241037 918403478 /nfs/dbraw/zinc/40/34/78/918403478.db2.gz ZRKMQHCDUCFZMX-CYBMUJFWSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183411211 918470219 /nfs/dbraw/zinc/47/02/19/918470219.db2.gz YUFAIRMWOYWSFX-BFYDXBDKSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001183648054 918584082 /nfs/dbraw/zinc/58/40/82/918584082.db2.gz NOZVQUIVOKTTDK-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001187304284 920486954 /nfs/dbraw/zinc/48/69/54/920486954.db2.gz GWBVDCKQNYTGMS-ARFHVFGLSA-N 2 0 291.439 1.580 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001188139008 920855898 /nfs/dbraw/zinc/85/58/98/920855898.db2.gz FOQGHGDDZUHNHP-CVEARBPZSA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203729248 922283619 /nfs/dbraw/zinc/28/36/19/922283619.db2.gz FAOGBEDLCXLONS-HUUCEWRRSA-N 2 0 289.423 1.123 20 30 CDEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001098395174 936750863 /nfs/dbraw/zinc/75/08/63/936750863.db2.gz XYCRPMMKZDAWQU-JJXSEGSLSA-N 2 0 291.439 1.626 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128774377 922404908 /nfs/dbraw/zinc/40/49/08/922404908.db2.gz QTVLBRXEWKONKR-GFCCVEGCSA-N 2 0 273.808 1.319 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001099158942 936781289 /nfs/dbraw/zinc/78/12/89/936781289.db2.gz AZWBHUNDSDNQAE-ZOBUZTSGSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001099353609 936786741 /nfs/dbraw/zinc/78/67/41/936786741.db2.gz DHQZIGXPVXHAAH-HNNXBMFYSA-N 2 0 293.455 1.567 20 30 CDEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169863 922929687 /nfs/dbraw/zinc/92/96/87/922929687.db2.gz DHRPHMGVKKWTGE-CQSZACIVSA-N 2 0 267.417 1.437 20 30 CDEDRP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039174 924026981 /nfs/dbraw/zinc/02/69/81/924026981.db2.gz LDCQOMDBVLPEGR-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001080441283 924567741 /nfs/dbraw/zinc/56/77/41/924567741.db2.gz HQIAVYWLSAYKNL-MGPQQGTHSA-N 2 0 265.401 1.093 20 30 CDEDRP C=C(C)C[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197029503 925038897 /nfs/dbraw/zinc/03/88/97/925038897.db2.gz SWUVJSZFTGEMQP-UHFFFAOYSA-N 2 0 253.390 1.049 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084349654 925234319 /nfs/dbraw/zinc/23/43/19/925234319.db2.gz UXDSMTDNBGJKLA-OWCLPIDISA-N 2 0 289.423 1.047 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001084455875 925261261 /nfs/dbraw/zinc/26/12/61/925261261.db2.gz MSSAONYCAOEYIA-QLFBSQMISA-N 2 0 277.412 1.189 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102088158 937041603 /nfs/dbraw/zinc/04/16/03/937041603.db2.gz PLSCRLFIAQKYKT-RBSFLKMASA-N 2 0 281.444 1.587 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085675490 926266435 /nfs/dbraw/zinc/26/64/35/926266435.db2.gz UDLKLPYBTUZWJS-CABCVRRESA-N 2 0 277.412 1.027 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001201940810 926426937 /nfs/dbraw/zinc/42/69/37/926426937.db2.gz GRKOAVTYFDFHBG-UHFFFAOYSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001490768828 927340039 /nfs/dbraw/zinc/34/00/39/927340039.db2.gz VLCQWOVBXZTMJF-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=[NH2+])c1ccc(F)cn1)C2 ZINC001169098597 927698309 /nfs/dbraw/zinc/69/83/09/927698309.db2.gz JMEZHTNUAIYQKD-CNDDSTCGSA-N 2 0 262.332 1.551 20 30 CDEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110666447 928016624 /nfs/dbraw/zinc/01/66/24/928016624.db2.gz LNIZPTXAZKNZCE-LVQVYYBASA-N 2 0 291.439 1.624 20 30 CDEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001110673486 928111722 /nfs/dbraw/zinc/11/17/22/928111722.db2.gz BYBVLUYJTKWPQG-OAGGEKHMSA-N 2 0 289.423 1.216 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001111788338 937231879 /nfs/dbraw/zinc/23/18/79/937231879.db2.gz AEZDPNSJGZNEAO-UXLLHSPISA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001252486848 928660173 /nfs/dbraw/zinc/66/01/73/928660173.db2.gz JBSIBAMJFCPVLU-LSDHHAIUSA-N 2 0 272.433 1.650 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135316372 930150387 /nfs/dbraw/zinc/15/03/87/930150387.db2.gz VDXQPZQZDNUNIH-KGLIPLIRSA-N 2 0 267.417 1.224 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1[nH]cnc1C ZINC001136036879 930614846 /nfs/dbraw/zinc/61/48/46/930614846.db2.gz ZMOKDDRQNCZXKV-RYUDHWBXSA-N 2 0 276.384 1.157 20 30 CDEDRP C=CCc1ccnc(N[C@H]([NH3+])CCC[NH3+])c1C(OC)OC ZINC001170897702 930692647 /nfs/dbraw/zinc/69/26/47/930692647.db2.gz JCUKPFMWQWFRJS-LBPRGKRZSA-N 2 0 294.399 1.537 20 30 CDEDRP C[NH+]=C(NCCCC[N@@H+]1CCC[C@@H](C)C1)NC1CC1 ZINC000103337956 931295788 /nfs/dbraw/zinc/29/57/88/931295788.db2.gz WWJSAQSFUADYTB-CYBMUJFWSA-N 2 0 266.433 1.826 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001154092633 937502518 /nfs/dbraw/zinc/50/25/18/937502518.db2.gz MTMBAWHDRZHTFW-ZIAGYGMSSA-N 2 0 290.411 1.458 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001091118965 931829264 /nfs/dbraw/zinc/82/92/64/931829264.db2.gz FIHQKNPKTBCRIM-UHFFFAOYSA-N 2 0 291.439 1.675 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146396583 932243700 /nfs/dbraw/zinc/24/37/00/932243700.db2.gz BEPMLSSLEBBRAU-CVEARBPZSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147834224 932615347 /nfs/dbraw/zinc/61/53/47/932615347.db2.gz FYAQLVCQKHGKEA-CABCVRRESA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147834520 932615515 /nfs/dbraw/zinc/61/55/15/932615515.db2.gz LCZGQHSHSJAAGD-LSDHHAIUSA-N 2 0 297.443 1.015 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111169401 934211774 /nfs/dbraw/zinc/21/17/74/934211774.db2.gz RMQMAMWOKZRQOT-MCIONIFRSA-N 2 0 265.401 1.236 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)COCC[NH+](C)C)CCCCC1 ZINC001120005777 937772976 /nfs/dbraw/zinc/77/29/76/937772976.db2.gz WXTQWOPWABOFJT-UHFFFAOYSA-N 2 0 297.443 1.159 20 30 CDEDRP CCC(CC)[C@H](CNC(=[NH2+])N1CCSCC1)[NH+](C)C ZINC000303770649 935043215 /nfs/dbraw/zinc/04/32/15/935043215.db2.gz BZZPMPJEDUHWHH-ZDUSSCGKSA-N 2 0 286.489 1.716 20 30 CDEDRP C=CC[N@H+]1CC[C@@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046452706 935952791 /nfs/dbraw/zinc/95/27/91/935952791.db2.gz BORQFEYHRUUHSS-MRXNPFEDSA-N 2 0 284.363 1.715 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001121924251 937890627 /nfs/dbraw/zinc/89/06/27/937890627.db2.gz YYCQNDXWEMHEKD-MJBXVCDLSA-N 2 0 267.417 1.659 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001122153593 937909388 /nfs/dbraw/zinc/90/93/88/937909388.db2.gz GFHKEBLZFKCQIC-CABCVRRESA-N 2 0 295.427 1.040 20 30 CDEDRP N#Cc1cc(Cl)cc(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001157096184 938453479 /nfs/dbraw/zinc/45/34/79/938453479.db2.gz FYPQGPNBTICUGV-UHFFFAOYSA-N 2 0 266.736 1.282 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158040071 938578081 /nfs/dbraw/zinc/57/80/81/938578081.db2.gz VMSFBUCDDBKGID-JKSUJKDBSA-N 2 0 293.455 1.923 20 30 CDEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001158486484 938629080 /nfs/dbraw/zinc/62/90/80/938629080.db2.gz DTWPPHQMYDSHGG-CABCVRRESA-N 2 0 279.428 1.273 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001159907543 938759686 /nfs/dbraw/zinc/75/96/86/938759686.db2.gz ABOMIQVOYGZTKM-OAHLLOKOSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159915774 938759941 /nfs/dbraw/zinc/75/99/41/938759941.db2.gz NQSBCOOEVINGPV-ZFWWWQNUSA-N 2 0 281.444 1.777 20 30 CDEDRP CC#CC[N@H+]1CC=C(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001161504140 938907188 /nfs/dbraw/zinc/90/71/88/938907188.db2.gz COUXIIMRJOJUNG-UHFFFAOYSA-N 2 0 291.439 1.490 20 30 CDEDRP N#Cc1c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)ncc2c1CCC[NH2+]C2 ZINC001162791104 939140535 /nfs/dbraw/zinc/14/05/35/939140535.db2.gz ZOZLAFKAJGMEKW-KNXALSJPSA-N 2 0 295.390 1.175 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001164456265 939474867 /nfs/dbraw/zinc/47/48/67/939474867.db2.gz OLDMGPYINUAPFK-OAHLLOKOSA-N 2 0 281.444 1.780 20 30 CDEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001204799193 939791854 /nfs/dbraw/zinc/79/18/54/939791854.db2.gz SJTFOMVHHIBEHH-AWEZNQCLSA-N 2 0 299.846 1.661 20 30 CDEDRP N#Cc1cccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205208099 939835455 /nfs/dbraw/zinc/83/54/55/939835455.db2.gz AHEYFPSUCPAKIG-HNNXBMFYSA-N 2 0 259.353 1.234 20 30 CDEDRP N#Cc1cccc2c(C[N@H+]3CCC[C@](O)(C[NH3+])CC3)c[nH]c21 ZINC001205219290 939836598 /nfs/dbraw/zinc/83/65/98/939836598.db2.gz BUSVTFZIZDEQQB-QGZVFWFLSA-N 2 0 298.390 1.715 20 30 CDEDRP N#Cc1cc(C2=CCC[NH2+]CC2)ccc1N1CC[NH2+]CC1 ZINC001238941713 945284102 /nfs/dbraw/zinc/28/41/02/945284102.db2.gz RXPHQIXOWLKLQF-UHFFFAOYSA-N 2 0 282.391 1.735 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207688672 940231133 /nfs/dbraw/zinc/23/11/33/940231133.db2.gz RQYRYHIXVHLGRB-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001208575103 940342946 /nfs/dbraw/zinc/34/29/46/940342946.db2.gz IMTNFQNYNZIZRZ-BZUAXINKSA-N 2 0 293.455 1.567 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001209642476 940622338 /nfs/dbraw/zinc/62/23/38/940622338.db2.gz NPVLJDPIRYEMDI-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210217722 940672827 /nfs/dbraw/zinc/67/28/27/940672827.db2.gz LZGQOCWBGLBNOK-ZDUSSCGKSA-N 2 0 287.835 1.661 20 30 CDEDRP Cc1ncc(C#N)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210263289 940676366 /nfs/dbraw/zinc/67/63/66/940676366.db2.gz WFMPLTLPPPAYGH-UHFFFAOYSA-N 2 0 294.362 1.810 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214969205 940848814 /nfs/dbraw/zinc/84/88/14/940848814.db2.gz LIVKTIUKRURWRB-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000402177785 940889651 /nfs/dbraw/zinc/88/96/51/940889651.db2.gz WZHKOPDNRJARRT-KCPJHIHWSA-N 2 0 259.353 1.403 20 30 CDEDRP N#Cc1c(NC(=O)[C@@H]([NH3+])CCCC[NH3+])sc2c1CCC2 ZINC001218549439 941235199 /nfs/dbraw/zinc/23/51/99/941235199.db2.gz WKUQKKRBSBIIAA-NSHDSACASA-N 2 0 292.408 1.503 20 30 CDEDRP CCc1cc(C#N)ccc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222109468 941566888 /nfs/dbraw/zinc/56/68/88/941566888.db2.gz IJUOSNBAWOXJSZ-UHFFFAOYSA-N 2 0 298.434 1.648 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001228595302 942338932 /nfs/dbraw/zinc/33/89/32/942338932.db2.gz UOKWBVWJUYADKZ-BZUAXINKSA-N 2 0 291.439 1.511 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001316604427 942461815 /nfs/dbraw/zinc/46/18/15/942461815.db2.gz MASIXCZXFFVBOH-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CCC ZINC001229837627 942538011 /nfs/dbraw/zinc/53/80/11/942538011.db2.gz LSUGTEADMOPBMH-HZPDHXFCSA-N 2 0 293.455 1.759 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001230285061 942601202 /nfs/dbraw/zinc/60/12/02/942601202.db2.gz JOWGTBKYFYCJJL-UHFFFAOYSA-N 2 0 291.439 1.466 20 30 CDEDRP C=CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001232365768 943244559 /nfs/dbraw/zinc/24/45/59/943244559.db2.gz JCANHAPKUMCTSJ-UHFFFAOYSA-N 2 0 260.385 1.451 20 30 CDEDRP C=CCCC[N@H+]1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1 ZINC001277779865 943511132 /nfs/dbraw/zinc/51/11/32/943511132.db2.gz URSYAXINWNFOFZ-WMLDXEAASA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001235515887 944184191 /nfs/dbraw/zinc/18/41/91/944184191.db2.gz UNDMPPSHQUBBQR-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)nc1 ZINC001236321288 944469083 /nfs/dbraw/zinc/46/90/83/944469083.db2.gz HOAARIKUWDNZLB-OKILXGFUSA-N 2 0 256.353 1.385 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001265942130 944586745 /nfs/dbraw/zinc/58/67/45/944586745.db2.gz VXZVSTCANLXTGH-ZDUSSCGKSA-N 2 0 287.835 1.661 20 30 CDEDRP C[C@H]1C[C@@H]([NH2+]CCOc2cccc(C#N)c2)CC[NH2+]1 ZINC001246328536 948109193 /nfs/dbraw/zinc/10/91/93/948109193.db2.gz YTRAYNOEOLOBGV-JSGCOSHPSA-N 2 0 259.353 1.667 20 30 CDEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCCNCCC[NH3+] ZINC001246451469 948181229 /nfs/dbraw/zinc/18/12/29/948181229.db2.gz HGAHCZRKXZDHOP-CQSZACIVSA-N 2 0 274.412 1.407 20 30 CDEDRP N#CCC1CCC([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CC1 ZINC001246596157 948332729 /nfs/dbraw/zinc/33/27/29/948332729.db2.gz PCWGJIABQAXMBV-UHFFFAOYSA-N 2 0 276.428 1.486 20 30 CDEDRP COCCC1([NH3+])CC[NH+](C2CCC(C#N)CC2)CC1 ZINC001256962791 948465828 /nfs/dbraw/zinc/46/58/28/948465828.db2.gz YLJFFAWUTMIRTB-UHFFFAOYSA-N 2 0 265.401 1.899 20 30 CDEDRP C=C[C@](C)(O)C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001252540791 951426848 /nfs/dbraw/zinc/42/68/48/951426848.db2.gz AUPMXBCULKSCDX-KRWDZBQOSA-N 2 0 296.455 1.748 20 30 CDEDRP C=C[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001253564931 951955913 /nfs/dbraw/zinc/95/59/13/951955913.db2.gz KGPFOERKMVLLMX-INIZCTEOSA-N 2 0 260.381 1.919 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)CCC ZINC001480576694 971790964 /nfs/dbraw/zinc/79/09/64/971790964.db2.gz KMJPQEGCWXOHMK-NSHDSACASA-N 2 0 261.797 1.175 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC001311893785 956772604 /nfs/dbraw/zinc/77/26/04/956772604.db2.gz JCXMFOCMQMSSTH-AWEZNQCLSA-N 2 0 294.443 1.372 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001366469573 956853867 /nfs/dbraw/zinc/85/38/67/956853867.db2.gz GQBUMGICFANPBQ-GFCCVEGCSA-N 2 0 287.835 1.708 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001368499255 958902262 /nfs/dbraw/zinc/90/22/62/958902262.db2.gz ABZHPPBRIXSPKF-FPMFFAJLSA-N 2 0 299.846 1.565 20 30 CDEDRP COCCNC(NC(C)(C)C)=[NH+]CCC1CC[NH+](C)CC1 ZINC001335317384 959701683 /nfs/dbraw/zinc/70/16/83/959701683.db2.gz WTHMQBZJJSLSON-UHFFFAOYSA-N 2 0 298.475 1.698 20 30 CDEDRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001335369587 959751795 /nfs/dbraw/zinc/75/17/95/959751795.db2.gz WYDJRZUHMVDDOE-CHWSQXEVSA-N 2 0 253.390 1.219 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001419839886 962149790 /nfs/dbraw/zinc/14/97/90/962149790.db2.gz QIJOBULVANKJAQ-LLVKDONJSA-N 2 0 273.808 1.175 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC001340185665 962802346 /nfs/dbraw/zinc/80/23/46/962802346.db2.gz VYHKHWHJYAWGJV-QWHCGFSZSA-N 2 0 253.390 1.126 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC001341641705 963494463 /nfs/dbraw/zinc/49/44/63/963494463.db2.gz CLRHCSXLGTWNPG-CYBMUJFWSA-N 2 0 274.368 1.349 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001341777905 963539578 /nfs/dbraw/zinc/53/95/78/963539578.db2.gz NHPAODGEVWOILQ-OAGGEKHMSA-N 2 0 293.455 1.908 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001343085096 963902511 /nfs/dbraw/zinc/90/25/11/963902511.db2.gz KRMJZFKVKMUXRD-OLZOCXBDSA-N 2 0 253.390 1.318 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCC(C)CC1 ZINC001343378484 963962697 /nfs/dbraw/zinc/96/26/97/963962697.db2.gz RTWGKDCGRRSYMQ-CQSZACIVSA-N 2 0 267.417 1.518 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+](CC)CC ZINC001353507302 968025512 /nfs/dbraw/zinc/02/55/12/968025512.db2.gz BAYOSZXUAMSBAV-QWHCGFSZSA-N 2 0 255.406 1.517 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)CC[NH+]1CCCCC1 ZINC001354189624 968527939 /nfs/dbraw/zinc/52/79/39/968527939.db2.gz BHCZAFKUVBIHQL-CQSZACIVSA-N 2 0 267.417 1.614 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100618681 968799907 /nfs/dbraw/zinc/79/99/07/968799907.db2.gz SYQILFRDBOLWHC-UHFFFAOYSA-N 2 0 287.835 1.565 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001373770442 973631938 /nfs/dbraw/zinc/63/19/38/973631938.db2.gz WPVPCUBAJLTUAI-CYBMUJFWSA-N 2 0 299.846 1.852 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132273629 1163224299 /nfs/dbraw/zinc/22/42/99/1163224299.db2.gz HZGXDHNOXYMZKP-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCC[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132376777 1163260454 /nfs/dbraw/zinc/26/04/54/1163260454.db2.gz QSQWLZWNEVPYIH-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132519463 1163338158 /nfs/dbraw/zinc/33/81/58/1163338158.db2.gz ZFTYGGWFFZTFQL-LSDHHAIUSA-N 2 0 281.444 1.872 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132884629 1163500334 /nfs/dbraw/zinc/50/03/34/1163500334.db2.gz STYMRUKROWVZKU-LSDHHAIUSA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[C@H](CO)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC001574962199 1171062841 /nfs/dbraw/zinc/06/28/41/1171062841.db2.gz HGTCKXAIUFTURT-OAHLLOKOSA-N 2 0 258.365 1.196 20 30 CDEDRP CC#CC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001574962368 1171063249 /nfs/dbraw/zinc/06/32/49/1171063249.db2.gz KLCJXOBATOUECM-DZGCQCFKSA-N 2 0 277.412 1.060 20 30 CDEDRP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC001575452069 1171175919 /nfs/dbraw/zinc/17/59/19/1171175919.db2.gz BWQBXHOSEPYWRE-KGLIPLIRSA-N 2 0 267.417 1.736 20 30 CDEDRP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H](O)CC1(C#N)CC1 ZINC001575453560 1171175994 /nfs/dbraw/zinc/17/59/94/1171175994.db2.gz RQZWEQHMFFXIDF-OLZOCXBDSA-N 2 0 253.390 1.346 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)NCC[NH2+]C1CCCCCC1 ZINC001578413379 1171902197 /nfs/dbraw/zinc/90/21/97/1171902197.db2.gz NAWBLMQETVOFDM-UHFFFAOYSA-N 2 0 294.443 1.163 20 30 CDEDRP CNC(NCc1ccc(C[NH+]2CCCC2)cc1)=[NH+]C ZINC000057887562 348851014 /nfs/dbraw/zinc/85/10/14/348851014.db2.gz LUKMMQDCXOPWQH-UHFFFAOYSA-N 2 0 260.385 1.577 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1ccccc1 ZINC000264069185 362956811 /nfs/dbraw/zinc/95/68/11/362956811.db2.gz FVRVXHXNZQXWJL-GJZGRUSLSA-N 2 0 290.411 1.109 20 30 CDEDRP C=CCNC(=[NH2+])NCc1ccccc1OCC[NH+](C)C ZINC000264079819 362960469 /nfs/dbraw/zinc/96/04/69/362960469.db2.gz GYFHIKDNVRSIPW-UHFFFAOYSA-N 2 0 276.384 1.217 20 30 CDEDRP COc1ccc(NC(=[NH2+])NCCCC[NH+](C)C)cc1OC ZINC000264091960 362964311 /nfs/dbraw/zinc/96/43/11/362964311.db2.gz LIGZAYWZMDBKOE-UHFFFAOYSA-N 2 0 294.399 1.772 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(F)c1 ZINC000264107436 362969756 /nfs/dbraw/zinc/96/97/56/362969756.db2.gz OCSIPXYQAZIQPD-AWEZNQCLSA-N 2 0 278.375 1.714 20 30 CDEDRP N#Cc1ccccc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072405 351351011 /nfs/dbraw/zinc/35/10/11/351351011.db2.gz LNZDFBQNBKATFZ-UHFFFAOYSA-N 2 0 273.380 1.888 20 30 CDEDRP CC#CC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375240326 370799961 /nfs/dbraw/zinc/79/99/61/370799961.db2.gz WWVVYKNJZSEEKS-UHFFFAOYSA-N 2 0 263.429 1.359 20 30 CDEDRP COc1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])ccc1C#N ZINC000414800107 241394147 /nfs/dbraw/zinc/39/41/47/241394147.db2.gz KSFFKFMCQAWGJA-JSGCOSHPSA-N 2 0 259.353 1.784 20 30 CDEDRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)N(C)CCC#N)C1 ZINC000131753041 369150863 /nfs/dbraw/zinc/15/08/63/369150863.db2.gz IFMQSXFFLJXCOK-OAHLLOKOSA-N 2 0 294.443 1.412 20 30 CDEDRP CN1CC[NH+]=C1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000262665900 370445951 /nfs/dbraw/zinc/44/59/51/370445951.db2.gz OSKMSDRWIJEGGO-INIZCTEOSA-N 2 0 286.423 1.932 20 30 CDEDRP C=CCOCCC[NH+]1CCC(N2CCOC[C@@H]2C)CC1 ZINC000571819043 377546225 /nfs/dbraw/zinc/54/62/25/377546225.db2.gz ZDYWTHRSXODIOF-HNNXBMFYSA-N 2 0 282.428 1.764 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@@H](C)[NH+](C)C)CC1 ZINC000664017713 413022497 /nfs/dbraw/zinc/02/24/97/413022497.db2.gz ZOEHYCGTLSBTAW-CQSZACIVSA-N 2 0 296.459 1.666 20 30 CDEDRP CC(C)CNC(=[NH2+])NCc1ccccc1OCC[NH+](C)C ZINC000104180669 390486647 /nfs/dbraw/zinc/48/66/47/390486647.db2.gz XQQWXBAKZHXOEG-UHFFFAOYSA-N 2 0 292.427 1.687 20 30 CDEDRP CC1CCN(C(=[NH2+])NC[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000303386000 391112213 /nfs/dbraw/zinc/11/22/13/391112213.db2.gz WFNCORVQAHGEKP-ZDUSSCGKSA-N 2 0 252.406 1.373 20 30 CDEDRP CNC(NCC1([NH+]2CCSCC2)CCCCC1)=[NH+]C ZINC000304079705 391154795 /nfs/dbraw/zinc/15/47/95/391154795.db2.gz YFOWLNYZUFSKAA-UHFFFAOYSA-N 2 0 284.473 1.533 20 30 CDEDRP C=CCC[C@H](O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374423716 391162751 /nfs/dbraw/zinc/16/27/51/391162751.db2.gz XDBBLVVNXZIZGV-FXUDXRNXSA-N 2 0 282.428 1.497 20 30 CDEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191614423 130262762 /nfs/dbraw/zinc/26/27/62/130262762.db2.gz XISOQONTOFGPGP-AWEZNQCLSA-N 2 0 289.427 1.012 20 30 CDEDRP C[C@H]1C[NH+]=C(NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)N1 ZINC000262658965 391808043 /nfs/dbraw/zinc/80/80/43/391808043.db2.gz MKPUFGWLEIMYTB-BBRMVZONSA-N 2 0 286.423 1.834 20 30 CDEDRP CC[NH+](CC)Cc1cccc(CNC2=[NH+]C[C@@H](C)N2)c1 ZINC000262685078 391812573 /nfs/dbraw/zinc/81/25/73/391812573.db2.gz YCDHLYGBFBWYDI-CYBMUJFWSA-N 2 0 274.412 1.966 20 30 CDEDRP CCNC(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000277290116 263040562 /nfs/dbraw/zinc/04/05/62/263040562.db2.gz KOPZHEVXRVWRCW-HNNXBMFYSA-N 2 0 290.411 1.202 20 30 CDEDRP C=CCC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1CC1 ZINC000438987306 263087685 /nfs/dbraw/zinc/08/76/85/263087685.db2.gz PMKRBVHXWHKTMQ-AWEZNQCLSA-N 2 0 252.402 1.778 20 30 CDEDRP C#CCNC(NC[C@@H]1CCCC[N@@H+]1CC)=[NH+]CC ZINC000132002360 264378216 /nfs/dbraw/zinc/37/82/16/264378216.db2.gz NKGFZMCOYIPSBG-ZDUSSCGKSA-N 2 0 250.390 1.049 20 30 CDEDRP C=CC[C@@]1(C(=O)NCC[N@@H+](C)[C@H](C)CC)CCC[NH2+]1 ZINC000662713763 424364624 /nfs/dbraw/zinc/36/46/24/424364624.db2.gz YLFWMDSRAIZSHQ-HIFRSBDPSA-N 2 0 267.417 1.531 20 30 CDEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)N(C)CCC#N)C[C@@H]1C ZINC000356999385 266228265 /nfs/dbraw/zinc/22/82/65/266228265.db2.gz BPUHODCCTXOJHU-LSDHHAIUSA-N 2 0 294.443 1.553 20 30 CDEDRP C[C@@H]([NH2+]CCSCc1ccccc1C#N)C1C[NH2+]C1 ZINC000422986007 278347975 /nfs/dbraw/zinc/34/79/75/278347975.db2.gz GIATZCNGJPLAKU-GFCCVEGCSA-N 2 0 275.421 1.989 20 30 CDEDRP C[NH+]=C(NCc1cc(C)no1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261849396 328142559 /nfs/dbraw/zinc/14/25/59/328142559.db2.gz XTQXJZSETAOBKU-QMTHXVAHSA-N 2 0 291.399 1.131 20 30 CDEDRP C=CCCC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000377728203 329027292 /nfs/dbraw/zinc/02/72/92/329027292.db2.gz WRWIMLIZTQGOKA-HNNXBMFYSA-N 2 0 251.418 1.664 20 30 CDEDRP C#CC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177506164 329185190 /nfs/dbraw/zinc/18/51/90/329185190.db2.gz DSOSVCZMGOFUJZ-GASCZTMLSA-N 2 0 264.413 1.831 20 30 CDEDRP C#CCNC(NC[C@H](C)[NH+]1CCC(C)CC1)=[NH+]CC ZINC000262609590 330023007 /nfs/dbraw/zinc/02/30/07/330023007.db2.gz IDZXTGQGCMMDDX-AWEZNQCLSA-N 2 0 264.417 1.295 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC1CCCC1 ZINC000263114692 330044361 /nfs/dbraw/zinc/04/43/61/330044361.db2.gz FNIPDXNRBOGMAF-LBPRGKRZSA-N 2 0 264.417 1.578 20 30 CDEDRP C=CC[NH+]1CCC(N[C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422861796 330158166 /nfs/dbraw/zinc/15/81/66/330158166.db2.gz OZRPNIFITHOFSS-HUUCEWRRSA-N 2 0 251.418 1.886 20 30 CDEDRP C[N@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)C1CCCCC1 ZINC000424132034 330264195 /nfs/dbraw/zinc/26/41/95/330264195.db2.gz KBAGIWOVEGRSGX-AWEZNQCLSA-N 2 0 280.416 1.388 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000491373826 332199689 /nfs/dbraw/zinc/19/96/89/332199689.db2.gz OVUIJAMRZZVYPG-OAHLLOKOSA-N 2 0 294.443 1.115 20 30 CDEDRP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001755604508 1160305791 /nfs/dbraw/zinc/30/57/91/1160305791.db2.gz XCOKVQIUHBVTDY-LSDHHAIUSA-N 2 0 281.444 1.731 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105945111 1161008650 /nfs/dbraw/zinc/00/86/50/1161008650.db2.gz LGDMHAWIFVUZKY-KFWWJZLASA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001113629353 1162242276 /nfs/dbraw/zinc/24/22/76/1162242276.db2.gz CNZJHYIKYGWIRW-MRXNPFEDSA-N 2 0 293.455 1.829 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000352815313 526592165 /nfs/dbraw/zinc/59/21/65/526592165.db2.gz ATXDRGDJZCCABB-ZDUSSCGKSA-N 2 0 282.432 1.276 20 30 CDEDRP C#CCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771843522 575626048 /nfs/dbraw/zinc/62/60/48/575626048.db2.gz SHZOGLWTLNIZEN-UHFFFAOYSA-N 2 0 271.408 1.941 20 30 CDEDRP C#CCNC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000752068060 577085814 /nfs/dbraw/zinc/08/58/14/577085814.db2.gz GKRFUHIHFKXLKQ-UHFFFAOYSA-N 2 0 291.439 1.324 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000947685310 613026077 /nfs/dbraw/zinc/02/60/77/613026077.db2.gz MQUWIRYEFZBLJS-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000952394030 613257478 /nfs/dbraw/zinc/25/74/78/613257478.db2.gz QREUPWPKNOKJSB-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000947852817 613258418 /nfs/dbraw/zinc/25/84/18/613258418.db2.gz LWAOFMGMSIYIRE-HOTGVXAUSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000971679777 613290300 /nfs/dbraw/zinc/29/03/00/613290300.db2.gz UYZFVHBTVXLCTN-GJZGRUSLSA-N 2 0 279.428 1.435 20 30 CDEDRP C#CC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974602785 613299006 /nfs/dbraw/zinc/29/90/06/613299006.db2.gz XQEIMTBFLDZAEO-ZNMIVQPWSA-N 2 0 291.439 1.177 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968149206 613332686 /nfs/dbraw/zinc/33/26/86/613332686.db2.gz CQISJQQWZZRVDI-HOCLYGCPSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000968996609 613385213 /nfs/dbraw/zinc/38/52/13/613385213.db2.gz LGOHFJXKYZMCSV-OLZOCXBDSA-N 2 0 287.835 1.516 20 30 CDEDRP C=CCC[N@H+]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000981324592 613491695 /nfs/dbraw/zinc/49/16/95/613491695.db2.gz OFSCLTUXISTZPP-UHFFFAOYSA-N 2 0 279.428 1.581 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944171652 613534423 /nfs/dbraw/zinc/53/44/23/613534423.db2.gz ZPVZKFIDJXQRQE-GJZGRUSLSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000961465000 613562152 /nfs/dbraw/zinc/56/21/52/613562152.db2.gz OWWMGHJTFVQQLS-FICVDOATSA-N 2 0 291.439 1.483 20 30 CDEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC000960794179 613562337 /nfs/dbraw/zinc/56/23/37/613562337.db2.gz VQPHQXQKIJZQEL-FICVDOATSA-N 2 0 289.423 1.237 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000972734363 613628661 /nfs/dbraw/zinc/62/86/61/613628661.db2.gz XPYYUTBFUYWQGU-KBPBESRZSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000981805178 613691312 /nfs/dbraw/zinc/69/13/12/613691312.db2.gz ZGWUQVQVZNAXAM-MRXNPFEDSA-N 2 0 293.455 1.829 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000948553199 613704741 /nfs/dbraw/zinc/70/47/41/613704741.db2.gz FMOBUQLRRQRMRU-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967232763 613727732 /nfs/dbraw/zinc/72/77/32/613727732.db2.gz VXZHWGUALCYKAX-CABCVRRESA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000974778296 613811273 /nfs/dbraw/zinc/81/12/73/613811273.db2.gz ONMMTJOGCYJKIB-OAHLLOKOSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000980244182 613820810 /nfs/dbraw/zinc/82/08/10/613820810.db2.gz XXRLXLHAVKFYCA-JYJNAYRXSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000970796678 613865264 /nfs/dbraw/zinc/86/52/64/613865264.db2.gz PJCWWOQFDZNYMK-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]CC#Cc1ccccc1 ZINC000893660680 617811004 /nfs/dbraw/zinc/81/10/04/617811004.db2.gz COINCBWMAKDIAU-KRWDZBQOSA-N 2 0 285.435 1.654 20 30 CDEDRP C#CCN(C)CCC[NH2+]C[C@@H](OC)C1CCCC1 ZINC000894863786 619107335 /nfs/dbraw/zinc/10/73/35/619107335.db2.gz SJNSGMLPLFURIQ-OAHLLOKOSA-N 2 0 252.402 1.736 20 30 CDEDRP C=CCNC(NCCN(C)CCOC)=[NH+]C(C)(C)C ZINC000912496639 630030018 /nfs/dbraw/zinc/03/00/18/630030018.db2.gz AOHTUWFRGOWRKS-UHFFFAOYSA-N 2 0 270.421 1.084 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000987121990 1160510682 /nfs/dbraw/zinc/51/06/82/1160510682.db2.gz BESVCXPTUJZFRR-UKRRQHHQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182575 1161544935 /nfs/dbraw/zinc/54/49/35/1161544935.db2.gz LOABNJAHIVDFTQ-INIZCTEOSA-N 2 0 297.443 1.111 20 30 CDEDRP C#CC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132509497 1163341805 /nfs/dbraw/zinc/34/18/05/1163341805.db2.gz WBZOUFRPDXRSIV-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135706100 1164169939 /nfs/dbraw/zinc/16/99/39/1164169939.db2.gz OXCPGBJPLQXHIR-KGLIPLIRSA-N 2 0 269.433 1.777 20 30 CDEDRP C=CC1(CC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)C[NH2+]C1 ZINC001574880772 1171035709 /nfs/dbraw/zinc/03/57/09/1171035709.db2.gz RXNGQYDPDNAPTG-KBPBESRZSA-N 2 0 279.428 1.389 20 30 CDEDRP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001731374687 1182345990 /nfs/dbraw/zinc/34/59/90/1182345990.db2.gz XAHNRCCVNQROEW-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001732327745 1182907077 /nfs/dbraw/zinc/90/70/77/1182907077.db2.gz UPWCJSQVYYHGSW-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001733921947 1183569028 /nfs/dbraw/zinc/56/90/28/1183569028.db2.gz SQYDBDJKNYXULE-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001734298993 1183719293 /nfs/dbraw/zinc/71/92/93/1183719293.db2.gz RNSAAEFRBMSCOU-CABCVRRESA-N 2 0 279.428 1.177 20 30 CDEDRP CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001734596506 1183839612 /nfs/dbraw/zinc/83/96/12/1183839612.db2.gz VQWSTTMRCUUKOA-NRXISQOPSA-N 2 0 277.412 1.073 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001753460319 1184545800 /nfs/dbraw/zinc/54/58/00/1184545800.db2.gz VSRBEFCIOJUEKN-JKSUJKDBSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CC[N@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001752206833 1184836108 /nfs/dbraw/zinc/83/61/08/1184836108.db2.gz AZEAAARWYKWWPK-GJZGRUSLSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnc[nH]1 ZINC001752566299 1184879093 /nfs/dbraw/zinc/87/90/93/1184879093.db2.gz OWWKQCLTFHYUEX-GASCZTMLSA-N 2 0 288.395 1.594 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001752708602 1184897146 /nfs/dbraw/zinc/89/71/46/1184897146.db2.gz UUMKJYIDUMSLLY-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001752811144 1184920004 /nfs/dbraw/zinc/92/00/04/1184920004.db2.gz HULCWWLZBPKXLU-INIZCTEOSA-N 2 0 293.455 1.570 20 30 CDEDRP C=CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001753160169 1185092415 /nfs/dbraw/zinc/09/24/15/1185092415.db2.gz UOYDHRZXAPILQO-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CN(CC)CCO1 ZINC001753272021 1185138480 /nfs/dbraw/zinc/13/84/80/1185138480.db2.gz ICPPYXRWHBLDNI-CABCVRRESA-N 2 0 297.443 1.110 20 30 CDEDRP C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001753632179 1185277853 /nfs/dbraw/zinc/27/78/53/1185277853.db2.gz ITCJKGVNICDUKB-LSDHHAIUSA-N 2 0 279.428 1.226 20 30 CDEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001753829016 1185348378 /nfs/dbraw/zinc/34/83/78/1185348378.db2.gz IWKFGYWWMLROKM-RBSFLKMASA-N 2 0 281.444 1.633 20 30 CDEDRP C=C(C)C[NH2+]C/C=C/CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001754173035 1185491616 /nfs/dbraw/zinc/49/16/16/1185491616.db2.gz FUHOSLNTBAXAFH-NNTXTVRGSA-N 2 0 265.401 1.166 20 30 CDEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001754518158 1185655334 /nfs/dbraw/zinc/65/53/34/1185655334.db2.gz NIZNGSJMMODCKX-CYBMUJFWSA-N 2 0 265.401 1.285 20 30 CDEDRP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001755034714 1185792939 /nfs/dbraw/zinc/79/29/39/1185792939.db2.gz XMQQIOYAQGAYLX-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001755471703 1185960011 /nfs/dbraw/zinc/96/00/11/1185960011.db2.gz CUDSRUFBXMEVBE-RBSFLKMASA-N 2 0 297.418 1.174 20 30 CDEDRP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001755480010 1185963910 /nfs/dbraw/zinc/96/39/10/1185963910.db2.gz IBUKGZOIRVPCOG-KOMQPUFPSA-N 2 0 291.439 1.224 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001755745736 1186055920 /nfs/dbraw/zinc/05/59/20/1186055920.db2.gz CSUNJFVXCYDYAP-GJZGRUSLSA-N 2 0 291.439 1.533 20 30 CDEDRP Cc1ccc(NC(=[NH2+])NC[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000303973995 1186583207 /nfs/dbraw/zinc/58/32/07/1186583207.db2.gz HJHSOWVPLXAWCS-AWEZNQCLSA-N 2 0 289.427 1.358 20 30 CDEDRP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001046318273 711903911 /nfs/dbraw/zinc/90/39/11/711903911.db2.gz WRWRLTZAAOIORC-RDJZCZTQSA-N 2 0 291.439 1.463 20 30 CDEDRP CC[NH+](CC)CCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000303703155 711904302 /nfs/dbraw/zinc/90/43/02/711904302.db2.gz JIAKENSXIYLFNO-AWEZNQCLSA-N 3 0 283.464 1.107 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001038262014 711931297 /nfs/dbraw/zinc/93/12/97/711931297.db2.gz IBPMRLSIEYVEMC-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCCCC2N=NC2=NCCN2)C1 ZINC000841662406 711981043 /nfs/dbraw/zinc/98/10/43/711981043.db2.gz XGPHVSYHFNBPMX-VNHYZAJKSA-N 2 0 291.443 1.812 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1(C)C ZINC000996311354 711987292 /nfs/dbraw/zinc/98/72/92/711987292.db2.gz RZKWHNQQDRYZKN-AWEZNQCLSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001038632310 711987778 /nfs/dbraw/zinc/98/77/78/711987778.db2.gz XDJVSEOLGNIRFG-KKUMJFAQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049553075 712033614 /nfs/dbraw/zinc/03/36/14/712033614.db2.gz XNHSJUVHJNPUOR-PMPSAXMXSA-N 2 0 293.455 1.968 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001020149911 712044434 /nfs/dbraw/zinc/04/44/34/712044434.db2.gz GYMLJQNWPDLDQW-YHUYYLMFSA-N 2 0 291.439 1.674 20 30 CDEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001001447568 712059084 /nfs/dbraw/zinc/05/90/84/712059084.db2.gz CKXYDIKABSNCGG-HNNXBMFYSA-N 2 0 277.412 1.263 20 30 CDEDRP C#CC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001054664292 712072673 /nfs/dbraw/zinc/07/26/73/712072673.db2.gz XRJOGXZSUANRTJ-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015999406 712085290 /nfs/dbraw/zinc/08/52/90/712085290.db2.gz VBRCWEVWNDYEEE-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C[C@H](CC(C)(C)C#N)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000924658585 712111532 /nfs/dbraw/zinc/11/15/32/712111532.db2.gz LPPGELIYSQZPLB-OAHLLOKOSA-N 2 0 280.460 1.932 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001038419180 712135386 /nfs/dbraw/zinc/13/53/86/712135386.db2.gz UNMPMXMZCKFNKN-ZIAGYGMSSA-N 2 0 288.395 1.212 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000999056045 712167482 /nfs/dbraw/zinc/16/74/82/712167482.db2.gz AUDQCNZXYGUBRD-UHFFFAOYSA-N 2 0 284.363 1.713 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001032446177 712191058 /nfs/dbraw/zinc/19/10/58/712191058.db2.gz XSFIPEWDGQAPKD-JYJNAYRXSA-N 2 0 291.439 1.578 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000104169980 712227015 /nfs/dbraw/zinc/22/70/15/712227015.db2.gz NTWNBQQONNIEQY-CQSZACIVSA-N 2 0 266.433 1.979 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001036268446 712255537 /nfs/dbraw/zinc/25/55/37/712255537.db2.gz RTRQKJDTTCUMIO-KGLIPLIRSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1cnc[nH]1 ZINC001049749434 712282668 /nfs/dbraw/zinc/28/26/68/712282668.db2.gz CLWQLUWJSMWWAN-CABCVRRESA-N 2 0 288.395 1.594 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001048828368 712333737 /nfs/dbraw/zinc/33/37/37/712333737.db2.gz USRMQQAZQXIUNX-LVQVYYBASA-N 2 0 291.439 1.293 20 30 CDEDRP C#C[C@](C)(CC)[NH2+]CC1(C[NH2+][C@](C)(C#C)CC)COC1 ZINC000852100813 712351659 /nfs/dbraw/zinc/35/16/59/712351659.db2.gz JHODEZPPBLMILW-HZPDHXFCSA-N 2 0 276.424 1.786 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NC[C@@]1(C)CCCS1 ZINC000262012165 712352716 /nfs/dbraw/zinc/35/27/16/712352716.db2.gz WUELRIGZXRERRU-GXTWGEPZSA-N 2 0 284.473 1.389 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001001534398 712355176 /nfs/dbraw/zinc/35/51/76/712355176.db2.gz JFMSGIYWEUJPGN-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001052254735 712393349 /nfs/dbraw/zinc/39/33/49/712393349.db2.gz OTORSZQJFCLBJO-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000995924614 712399223 /nfs/dbraw/zinc/39/92/23/712399223.db2.gz IHQSAVHXAIVPAL-CABCVRRESA-N 2 0 295.471 1.975 20 30 CDEDRP C=CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000985656480 712413461 /nfs/dbraw/zinc/41/34/61/712413461.db2.gz XYSJNFSVAHZCHW-HIFRSBDPSA-N 2 0 279.428 1.293 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001003633851 712427231 /nfs/dbraw/zinc/42/72/31/712427231.db2.gz IHKMKACORZWRHI-HOCLYGCPSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)Cc2[nH]cnc2C)CC1 ZINC001004051796 712428019 /nfs/dbraw/zinc/42/80/19/712428019.db2.gz CXKRVMGEKBDGJY-UHFFFAOYSA-N 2 0 262.357 1.027 20 30 CDEDRP CC#CCC[NH+]1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000880254463 712463894 /nfs/dbraw/zinc/46/38/94/712463894.db2.gz YLNWMQLATGXHEC-UHFFFAOYSA-N 2 0 277.412 1.206 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000791061340 712471126 /nfs/dbraw/zinc/47/11/26/712471126.db2.gz OEMBSKYYEJALBL-LSDHHAIUSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)c2cccc3nccn32)CC1(C)C ZINC000996037070 712473938 /nfs/dbraw/zinc/47/39/38/712473938.db2.gz BVLKSJQASBAJNS-AWEZNQCLSA-N 2 0 298.390 1.961 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027892753 712503343 /nfs/dbraw/zinc/50/33/43/712503343.db2.gz BQCJOFQLYNPSKH-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033472073 712521531 /nfs/dbraw/zinc/52/15/31/712521531.db2.gz RLSBTMBRGXUPQC-HNNXBMFYSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001033466068 712528544 /nfs/dbraw/zinc/52/85/44/712528544.db2.gz CKDJXNVVMCSLMT-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)C[C@H](C)[NH3+])C(C)C ZINC000861556124 712680228 /nfs/dbraw/zinc/68/02/28/712680228.db2.gz CUSACJPEJRWPRQ-GJZGRUSLSA-N 2 0 296.459 1.674 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3nccn32)C1 ZINC001014720688 712714057 /nfs/dbraw/zinc/71/40/57/712714057.db2.gz GXBIVBXSQLQJOA-ZIAGYGMSSA-N 2 0 288.395 1.527 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NCC1=CC[N@H+](C)CC1 ZINC000849016912 712743625 /nfs/dbraw/zinc/74/36/25/712743625.db2.gz RCEFMNICZKFXPT-UHFFFAOYSA-N 2 0 262.357 1.207 20 30 CDEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000923390929 712779452 /nfs/dbraw/zinc/77/94/52/712779452.db2.gz ZUVBOYWILBKYJI-FZKCQIBNSA-N 2 0 282.428 1.532 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127262742 913338443 /nfs/dbraw/zinc/33/84/43/913338443.db2.gz PVIZTUIYWNGPKY-ZIAGYGMSSA-N 2 0 265.401 1.143 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249221 913713342 /nfs/dbraw/zinc/71/33/42/913713342.db2.gz CTISVYTVVTVCML-BMFZPTHFSA-N 2 0 293.455 1.587 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001209474635 894747927 /nfs/dbraw/zinc/74/79/27/894747927.db2.gz IEGBJXLWDZVRDB-LSDHHAIUSA-N 2 0 279.428 1.177 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001104290057 895390328 /nfs/dbraw/zinc/39/03/28/895390328.db2.gz ZGNFSRDVGCDBFO-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356813 914046080 /nfs/dbraw/zinc/04/60/80/914046080.db2.gz OFGWSOXMFWXUBI-OAHLLOKOSA-N 2 0 291.439 1.370 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106600414 914054413 /nfs/dbraw/zinc/05/44/13/914054413.db2.gz YYGCZHJNKHUBQO-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001022493328 896516752 /nfs/dbraw/zinc/51/67/52/896516752.db2.gz QGZGTBSRRDSOKQ-IYBDPMFKSA-N 2 0 299.418 1.274 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106633592 914081248 /nfs/dbraw/zinc/08/12/48/914081248.db2.gz OCQBRZAEBUFVIN-BZUAXINKSA-N 2 0 293.455 1.280 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001481067766 898724245 /nfs/dbraw/zinc/72/42/45/898724245.db2.gz YDRDIZLSJNFOFH-KBPBESRZSA-N 2 0 267.417 1.339 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001104932979 899681155 /nfs/dbraw/zinc/68/11/55/899681155.db2.gz YPKLUMKTUGRHRE-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C1([NH+](C)C)CCC1 ZINC001481819407 902176310 /nfs/dbraw/zinc/17/63/10/902176310.db2.gz WHRBYPBWZCSXDU-LBPRGKRZSA-N 2 0 287.835 1.708 20 30 CDEDRP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001028332451 902241635 /nfs/dbraw/zinc/24/16/35/902241635.db2.gz VBSLAPAYDWJCGH-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1CC ZINC001087727696 905798762 /nfs/dbraw/zinc/79/87/62/905798762.db2.gz JIIGQIMZLNKAPP-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087796920 905851000 /nfs/dbraw/zinc/85/10/00/905851000.db2.gz QTSURYUWTLCDJL-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087828462 905881359 /nfs/dbraw/zinc/88/13/59/905881359.db2.gz LWYOORISTXVOFA-SOUVJXGZSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001088277445 906778649 /nfs/dbraw/zinc/77/86/49/906778649.db2.gz AIJJAGYBGAJJNT-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001088327642 906903522 /nfs/dbraw/zinc/90/35/22/906903522.db2.gz SODKEQIIGYXNNH-HOTGVXAUSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH+](C)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000985647943 906945051 /nfs/dbraw/zinc/94/50/51/906945051.db2.gz SBJIMHGGLLIMJJ-HNNXBMFYSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001088381750 907064959 /nfs/dbraw/zinc/06/49/59/907064959.db2.gz LJZHAALYTONQJG-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001088383766 907081472 /nfs/dbraw/zinc/08/14/72/907081472.db2.gz MHMUBMYOWZKIEZ-GJZGRUSLSA-N 2 0 279.428 1.321 20 30 CDEDRP CN(C)/C=[NH+]/c1ccc(-n2cc(C[NH3+])cn2)cc1C#N ZINC001168259014 908007435 /nfs/dbraw/zinc/00/74/35/908007435.db2.gz JFHZCMFIMWNPRK-LICLKQGHSA-N 2 0 268.324 1.424 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989662813 908960578 /nfs/dbraw/zinc/96/05/78/908960578.db2.gz YDQFKNMNFSNGBC-AWEZNQCLSA-N 2 0 265.401 1.049 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001483167240 909904356 /nfs/dbraw/zinc/90/43/56/909904356.db2.gz WWQAWFHACANDFX-GFCCVEGCSA-N 2 0 289.851 1.811 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001178759227 915616286 /nfs/dbraw/zinc/61/62/86/915616286.db2.gz AKZKOQBAGWZOGI-INIZCTEOSA-N 2 0 295.471 1.862 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001178985835 915720261 /nfs/dbraw/zinc/72/02/61/915720261.db2.gz ZUZACUGKTDSHJA-SOUVJXGZSA-N 2 0 281.444 1.872 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[NH+](CC)CC)[C@H]1C ZINC001179763912 915976943 /nfs/dbraw/zinc/97/69/43/915976943.db2.gz PWWGVOGOAZODEC-STQMWFEESA-N 2 0 253.390 1.093 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127638205 916443338 /nfs/dbraw/zinc/44/33/38/916443338.db2.gz HHPXOGIOHUAOGU-BFHYXJOUSA-N 2 0 267.417 1.387 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001052711978 936397633 /nfs/dbraw/zinc/39/76/33/936397633.db2.gz CIDJBEOSIPIQBI-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001181884616 917445556 /nfs/dbraw/zinc/44/55/56/917445556.db2.gz HMLIQFTZLUSWTQ-BFYDXBDKSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001054240159 936432361 /nfs/dbraw/zinc/43/23/61/936432361.db2.gz NRMDSURWPUJILU-DOTOQJQBSA-N 2 0 291.439 1.439 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001183091567 918282686 /nfs/dbraw/zinc/28/26/86/918282686.db2.gz IPHDEQDMUBTHEL-GOEBONIOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCOCC[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151362498 918715041 /nfs/dbraw/zinc/71/50/41/918715041.db2.gz XNIQJPHNOSOQOP-UHFFFAOYSA-N 2 0 297.443 1.161 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001000917755 936543505 /nfs/dbraw/zinc/54/35/05/936543505.db2.gz MGIJRXSMBQJRQY-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001001401180 936551524 /nfs/dbraw/zinc/55/15/24/936551524.db2.gz CAIMVCDVXRTSJG-MRXNPFEDSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001050545398 936561161 /nfs/dbraw/zinc/56/11/61/936561161.db2.gz DRHJTGZVOBPKNU-OAHLLOKOSA-N 2 0 291.439 1.437 20 30 CDEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001050564616 936561209 /nfs/dbraw/zinc/56/12/09/936561209.db2.gz SKDDTUBRQIOGQK-OAHLLOKOSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999176374 919689079 /nfs/dbraw/zinc/68/90/79/919689079.db2.gz WJYCMJUKMKTYFN-HZPDHXFCSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000999556516 919771413 /nfs/dbraw/zinc/77/14/13/919771413.db2.gz JKJQUBJBLPVMSD-CQSZACIVSA-N 2 0 296.374 1.470 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001202973719 936648931 /nfs/dbraw/zinc/64/89/31/936648931.db2.gz MZMUEPLKIXCTQL-UHFFFAOYSA-N 2 0 293.455 1.712 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106378 920839365 /nfs/dbraw/zinc/83/93/65/920839365.db2.gz IVULSVICGKCEKX-CQSZACIVSA-N 2 0 299.846 1.805 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001188118135 920844146 /nfs/dbraw/zinc/84/41/46/920844146.db2.gz JOWTZFGBRWACMM-MRXNPFEDSA-N 2 0 299.418 1.576 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033233574 922084779 /nfs/dbraw/zinc/08/47/79/922084779.db2.gz SNHNLAFQXFFWBB-CQSZACIVSA-N 2 0 284.363 1.667 20 30 CDEDRP C#CCC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001033424058 922209917 /nfs/dbraw/zinc/20/99/17/922209917.db2.gz QQSMIMFWVILUBN-GJZGRUSLSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001190946683 922299788 /nfs/dbraw/zinc/29/97/88/922299788.db2.gz LVSNOCZDVUKOBR-LSDHHAIUSA-N 2 0 277.412 1.027 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190948597 922303040 /nfs/dbraw/zinc/30/30/40/922303040.db2.gz WJLHRJULWBSUPC-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC001191632032 922670989 /nfs/dbraw/zinc/67/09/89/922670989.db2.gz AZWHLVLJHOVVGE-OAHLLOKOSA-N 2 0 290.411 1.772 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001099029700 936775937 /nfs/dbraw/zinc/77/59/37/936775937.db2.gz JNIYPWCTZNXWRS-VYDXJSESSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001005590448 922730758 /nfs/dbraw/zinc/73/07/58/922730758.db2.gz YWVCRFVWGZIDON-OAHLLOKOSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045241 922893227 /nfs/dbraw/zinc/89/32/27/922893227.db2.gz AULJEECOHIAMAM-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2 ZINC001035731870 923041153 /nfs/dbraw/zinc/04/11/53/923041153.db2.gz PKZNAMHUZUQVAD-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001036094122 923097047 /nfs/dbraw/zinc/09/70/47/923097047.db2.gz OVOUJQFTQWKBSJ-BBRMVZONSA-N 2 0 296.374 1.408 20 30 CDEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001192550642 923126673 /nfs/dbraw/zinc/12/66/73/923126673.db2.gz JWQJYJAGEFRZGL-AWEZNQCLSA-N 2 0 276.384 1.451 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001036298340 923135782 /nfs/dbraw/zinc/13/57/82/923135782.db2.gz NBWRBIOEMZNJBK-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2ccnc2)C1 ZINC001192579349 923154788 /nfs/dbraw/zinc/15/47/88/923154788.db2.gz ZGPLWSCFTCHPQG-LSDHHAIUSA-N 2 0 288.395 1.390 20 30 CDEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193279304 923582060 /nfs/dbraw/zinc/58/20/60/923582060.db2.gz OLRYTAGJRFUYED-AWEZNQCLSA-N 2 0 267.417 1.437 20 30 CDEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193279668 923582637 /nfs/dbraw/zinc/58/26/37/923582637.db2.gz QFKLLOIDPIWOCC-AWEZNQCLSA-N 2 0 267.417 1.437 20 30 CDEDRP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193291211 923591559 /nfs/dbraw/zinc/59/15/59/923591559.db2.gz FYZXDWSTPVHVLE-OAHLLOKOSA-N 2 0 297.443 1.064 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194036614 924024731 /nfs/dbraw/zinc/02/47/31/924024731.db2.gz AZJGKXFBWAVADS-AWEZNQCLSA-N 2 0 265.401 1.191 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001101033351 936953057 /nfs/dbraw/zinc/95/30/57/936953057.db2.gz PHEPTHZNFTUXTK-UHFFFAOYSA-N 2 0 291.439 1.370 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340290 925160605 /nfs/dbraw/zinc/16/06/05/925160605.db2.gz KHMUVDDRSMOQJX-HNNXBMFYSA-N 2 0 281.444 1.923 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001085518794 926106639 /nfs/dbraw/zinc/10/66/39/926106639.db2.gz ZKEXYUKEGIWQJG-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102377267 937054905 /nfs/dbraw/zinc/05/49/05/937054905.db2.gz WSJJRCBKNBSVEJ-MCIONIFRSA-N 2 0 267.417 1.197 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085674965 926268150 /nfs/dbraw/zinc/26/81/50/926268150.db2.gz IHCHPANCTBTATM-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001202225439 926500977 /nfs/dbraw/zinc/50/09/77/926500977.db2.gz YOUNWFGJBQCLSQ-UHFFFAOYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001086122645 926726695 /nfs/dbraw/zinc/72/66/95/926726695.db2.gz SKENYTKSZQCNJF-ZNMIVQPWSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001086221094 926851502 /nfs/dbraw/zinc/85/15/02/926851502.db2.gz GFTFVNHNQLNFOL-QKPAOTATSA-N 2 0 289.423 1.121 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001202474329 926857108 /nfs/dbraw/zinc/85/71/08/926857108.db2.gz ZHIWHKITBSRKQC-HNNXBMFYSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001086401960 927079205 /nfs/dbraw/zinc/07/92/05/927079205.db2.gz BXBOJWSPNHAPIL-IHRRRGAJSA-N 2 0 265.401 1.141 20 30 CDEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109688349 929009063 /nfs/dbraw/zinc/00/90/63/929009063.db2.gz KTWJBLJFLZOQDL-FXUDXRNXSA-N 2 0 291.439 1.317 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109724339 929017940 /nfs/dbraw/zinc/01/79/40/929017940.db2.gz NVJDGQQTSMFZFG-ILXRZTDVSA-N 2 0 293.455 1.872 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152147908 937339466 /nfs/dbraw/zinc/33/94/66/937339466.db2.gz NHGALBHMUFXUKM-BETUJISGSA-N 2 0 253.390 1.141 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCCC(C)C)CC1 ZINC001152323903 937353583 /nfs/dbraw/zinc/35/35/83/937353583.db2.gz HCZVDDZFXIYVAS-UHFFFAOYSA-N 2 0 293.455 1.474 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134606982 929814822 /nfs/dbraw/zinc/81/48/22/929814822.db2.gz CFASDGXBKHMMLL-KGLIPLIRSA-N 2 0 279.428 1.367 20 30 CDEDRP CC(=NNC(=S)NCCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000814845437 929860190 /nfs/dbraw/zinc/86/01/90/929860190.db2.gz LUORSQNSFAOLKS-UHFFFAOYSA-N 2 0 299.488 1.120 20 30 CDEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCCCC1 ZINC001115593215 937398217 /nfs/dbraw/zinc/39/82/17/937398217.db2.gz CIQURXBHNVMJKX-OAHLLOKOSA-N 2 0 293.455 1.759 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135743596 930394125 /nfs/dbraw/zinc/39/41/25/930394125.db2.gz MTAJNABNAFSXCB-OLZOCXBDSA-N 2 0 289.851 1.954 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135788934 930420815 /nfs/dbraw/zinc/42/08/15/930420815.db2.gz MYTDXMCVTYYVNQ-JKSUJKDBSA-N 2 0 293.455 1.615 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135923817 930543886 /nfs/dbraw/zinc/54/38/86/930543886.db2.gz NRBGLCFDQIDGAK-KBPBESRZSA-N 2 0 285.432 1.014 20 30 CDEDRP N#Cc1c(F)c(F)c(N[C@@H]([NH3+])CCC[NH3+])c(F)c1F ZINC001170900751 930704486 /nfs/dbraw/zinc/70/44/86/930704486.db2.gz PKKNXDQATKWNQQ-ZCFIWIBFSA-N 2 0 276.237 1.550 20 30 CDEDRP C[C@@H](CCCC#N)[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001246517425 931567711 /nfs/dbraw/zinc/56/77/11/931567711.db2.gz BZKXGHWUVFBWRU-GJZGRUSLSA-N 2 0 294.443 1.778 20 30 CDEDRP C=CCOCC[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146383938 932248543 /nfs/dbraw/zinc/24/85/43/932248543.db2.gz NOFGQKJOMXFMFH-UHFFFAOYSA-N 2 0 297.443 1.015 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1ccnc1 ZINC001146707030 932285792 /nfs/dbraw/zinc/28/57/92/932285792.db2.gz MLERNTQFSSIHFG-KGLIPLIRSA-N 2 0 278.400 1.722 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147976828 932636943 /nfs/dbraw/zinc/63/69/43/932636943.db2.gz BHFGTIZFIISTEH-ZDUSSCGKSA-N 2 0 265.401 1.143 20 30 CDEDRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000924657017 932809436 /nfs/dbraw/zinc/80/94/36/932809436.db2.gz FEIRNYLTCZNVNV-HNNXBMFYSA-N 2 0 280.460 1.932 20 30 CDEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001086882681 932836545 /nfs/dbraw/zinc/83/65/45/932836545.db2.gz FKSCCARDDNXLHD-ARFHVFGLSA-N 2 0 291.439 1.369 20 30 CDEDRP C[C@H]([NH2+]CCNc1ccc(C#N)cn1)C1CC[NH+](C)CC1 ZINC000927164697 933049732 /nfs/dbraw/zinc/04/97/32/933049732.db2.gz LJCCXNNRNPUDPB-ZDUSSCGKSA-N 2 0 287.411 1.685 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001155751000 937670489 /nfs/dbraw/zinc/67/04/89/937670489.db2.gz DAWPDIGBRYWORU-UONOGXRCSA-N 2 0 292.427 1.991 20 30 CDEDRP COC[C@H](C)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000777893979 933365139 /nfs/dbraw/zinc/36/51/39/933365139.db2.gz YKBHPFLJOFSNBP-AWEZNQCLSA-N 2 0 290.411 1.397 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001111037241 933740382 /nfs/dbraw/zinc/74/03/82/933740382.db2.gz RQVSJVSZQCPXCZ-KBXIAJHMSA-N 2 0 277.412 1.071 20 30 CDEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001111310566 934553172 /nfs/dbraw/zinc/55/31/72/934553172.db2.gz JKFMHPNGRFKNQF-KFWWJZLASA-N 2 0 277.412 1.073 20 30 CDEDRP C[C@H](CNC(=[NH2+])NCCc1ccccc1)[N@H+](C)C1CC1 ZINC000303976044 935049396 /nfs/dbraw/zinc/04/93/96/935049396.db2.gz JSRWLTHMALDOOL-CYBMUJFWSA-N 2 0 274.412 1.616 20 30 CDEDRP C[C@@H](CNC(=[NH2+])N(C)C1CC1)[NH+]1CCC(C)CC1 ZINC000305825858 935219319 /nfs/dbraw/zinc/21/93/19/935219319.db2.gz QZKSBZQJVHSWAA-LBPRGKRZSA-N 2 0 252.406 1.516 20 30 CDEDRP CC#CCN1CCC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001008530291 935405823 /nfs/dbraw/zinc/40/58/23/935405823.db2.gz IPVNHXCQAHJQNB-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001016690919 935621655 /nfs/dbraw/zinc/62/16/55/935621655.db2.gz PZCUHNZIKRVRRF-GJZGRUSLSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=C)Cl)C1 ZINC001018985709 935690568 /nfs/dbraw/zinc/69/05/68/935690568.db2.gz AHDRYOWKSUAEDM-KBPBESRZSA-N 2 0 295.814 1.027 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001019075980 935692542 /nfs/dbraw/zinc/69/25/42/935692542.db2.gz GITPSLZTPCVTQE-LSDHHAIUSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001019321685 935701327 /nfs/dbraw/zinc/70/13/27/935701327.db2.gz KZVYSHGKNLSJAH-ZDUSSCGKSA-N 2 0 285.819 1.271 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001019394501 935704203 /nfs/dbraw/zinc/70/42/03/935704203.db2.gz JODPGZBIRNOZAJ-STQMWFEESA-N 2 0 253.390 1.093 20 30 CDEDRP C=CCC[NH+]1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001044005412 935847837 /nfs/dbraw/zinc/84/78/37/935847837.db2.gz SDSLUTDZQDXYMH-UHFFFAOYSA-N 2 0 279.428 1.437 20 30 CDEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C1CCC(C)(C#N)CC1 ZINC001413121888 935912545 /nfs/dbraw/zinc/91/25/45/935912545.db2.gz MREFXYDSQSAMKZ-FHERZECASA-N 2 0 278.444 1.684 20 30 CDEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001096539396 936149758 /nfs/dbraw/zinc/14/97/58/936149758.db2.gz XYCRPMMKZDAWQU-WCVJEAGWSA-N 2 0 291.439 1.626 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001121916489 937890017 /nfs/dbraw/zinc/89/00/17/937890017.db2.gz AHCQRRZQCXKFRY-ZIAGYGMSSA-N 2 0 265.401 1.367 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158037191 938577825 /nfs/dbraw/zinc/57/78/25/938577825.db2.gz HSQBIFKMJGDPTH-LSDHHAIUSA-N 2 0 279.428 1.533 20 30 CDEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001158118236 938585177 /nfs/dbraw/zinc/58/51/77/938585177.db2.gz WHNBFXVYXOHKIW-HZPDHXFCSA-N 2 0 293.455 1.663 20 30 CDEDRP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158856471 938671071 /nfs/dbraw/zinc/67/10/71/938671071.db2.gz IPNZTGXAARVVNZ-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP N#Cc1ccc(-c2ccncc2)nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159787055 938753237 /nfs/dbraw/zinc/75/32/37/938753237.db2.gz QLRWEYREOPYXFJ-CQSZACIVSA-N 2 0 282.351 1.451 20 30 CDEDRP Cc1cnc(NCCC[NH2+]CCCC[NH3+])c(C#N)c1 ZINC001162289135 938972007 /nfs/dbraw/zinc/97/20/07/938972007.db2.gz HEUSSPKGADPVIA-UHFFFAOYSA-N 2 0 261.373 1.392 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(C)c(C#N)cn1 ZINC001163125505 939205807 /nfs/dbraw/zinc/20/58/07/939205807.db2.gz DFZJZXBQDHBHIV-UHFFFAOYSA-N 2 0 274.372 1.540 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001163241532 939231513 /nfs/dbraw/zinc/23/15/13/939231513.db2.gz BFZZGUUBGJKVKX-UHFFFAOYSA-N 2 0 279.428 1.228 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001165609852 939572255 /nfs/dbraw/zinc/57/22/55/939572255.db2.gz LSDKIJDHIXDZMD-AWEZNQCLSA-N 2 0 279.428 1.082 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001165775889 939576949 /nfs/dbraw/zinc/57/69/49/939576949.db2.gz BDUZXBWFTLBGCM-OAHLLOKOSA-N 2 0 291.439 1.370 20 30 CDEDRP C#C[C@@H]1CCCN(c2cccc(N3CCC([NH3+])CC3)[nH+]2)C1 ZINC001167004738 939669983 /nfs/dbraw/zinc/66/99/83/939669983.db2.gz BOKFQCZRLNEOKL-CQSZACIVSA-N 2 0 284.407 1.859 20 30 CDEDRP N#Cc1ccc2[nH]cc(C[N@H+]3CCC[C@](O)(C[NH3+])CC3)c2c1 ZINC001205228022 939839137 /nfs/dbraw/zinc/83/91/37/939839137.db2.gz AEGZHCUIBQQUSV-QGZVFWFLSA-N 2 0 298.390 1.715 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001206620681 940072529 /nfs/dbraw/zinc/07/25/29/940072529.db2.gz XLEXKSVJXODDOP-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210219673 940672671 /nfs/dbraw/zinc/67/26/71/940672671.db2.gz TUZOYTMJBRCPBU-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210674202 940706094 /nfs/dbraw/zinc/70/60/94/940706094.db2.gz ORGPANLLPDFRNJ-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214754802 940838295 /nfs/dbraw/zinc/83/82/95/940838295.db2.gz HSBVJFLGBJEYTR-QLFBSQMISA-N 2 0 297.418 1.126 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001215473755 940888342 /nfs/dbraw/zinc/88/83/42/940888342.db2.gz GDVAFJRPNIBMIK-BZUAXINKSA-N 2 0 295.471 1.975 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216382844 940935787 /nfs/dbraw/zinc/93/57/87/940935787.db2.gz DPMYUYFLGVGSBQ-OWCLPIDISA-N 2 0 293.455 1.731 20 30 CDEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@H](C#N)c1ccccc1 ZINC001219558880 941355010 /nfs/dbraw/zinc/35/50/10/941355010.db2.gz YUJMNWHZSCFRBA-LSDHHAIUSA-N 2 0 288.395 1.427 20 30 CDEDRP CC(C)C[C@@](C)(C#N)NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001221292160 941513067 /nfs/dbraw/zinc/51/30/67/941513067.db2.gz HBYFHMYZFGXFNM-JSGCOSHPSA-N 2 0 268.405 1.277 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001224560383 941771182 /nfs/dbraw/zinc/77/11/82/941771182.db2.gz SMTIWLBASUAHNC-HNNXBMFYSA-N 2 0 293.455 1.733 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001224592926 941774781 /nfs/dbraw/zinc/77/47/81/941774781.db2.gz WPEPFYJGUCXJAA-HNNXBMFYSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C ZINC001228646533 942347718 /nfs/dbraw/zinc/34/77/18/942347718.db2.gz HKBQXPAWCHHGDU-MCIONIFRSA-N 2 0 267.417 1.530 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229710119 942514610 /nfs/dbraw/zinc/51/46/10/942514610.db2.gz MEDCOMPTKYSZOT-HUUCEWRRSA-N 2 0 297.443 1.158 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC001263092641 943741370 /nfs/dbraw/zinc/74/13/70/943741370.db2.gz ZNZJCGKEYPMQNG-GFCCVEGCSA-N 2 0 255.406 1.374 20 30 CDEDRP CCCCCCC[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235865915 944301256 /nfs/dbraw/zinc/30/12/56/944301256.db2.gz TUWDHQBTHZORMA-UHFFFAOYSA-N 2 0 270.465 1.041 20 30 CDEDRP C[C@@H](CC[NH2+]C[C@H](O)COc1ccccc1C#N)[NH+](C)C ZINC001262565779 946715244 /nfs/dbraw/zinc/71/52/44/946715244.db2.gz WEFQFJVHPYEZLR-ZFWWWQNUSA-N 2 0 291.395 1.228 20 30 CDEDRP C[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1ccc(C#N)cc1 ZINC001246090453 947938687 /nfs/dbraw/zinc/93/86/87/947938687.db2.gz XPXPABYQSVDFFU-DOMZBBRYSA-N 2 0 270.380 1.303 20 30 CDEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246417740 948164802 /nfs/dbraw/zinc/16/48/02/948164802.db2.gz OTDBTNFDDVAMHV-DOMZBBRYSA-N 2 0 288.395 1.062 20 30 CDEDRP C=CCOC(=O)N1CCC(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246466595 948188742 /nfs/dbraw/zinc/18/87/42/948188742.db2.gz PIKUSOGXNDXEOU-UKRRQHHQSA-N 2 0 295.427 1.751 20 30 CDEDRP SCCCCCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246470869 948192134 /nfs/dbraw/zinc/19/21/34/948192134.db2.gz SNIWNGDVUAYMGE-GFCCVEGCSA-N 2 0 257.447 1.160 20 30 CDEDRP N#CC1CC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256854680 948434702 /nfs/dbraw/zinc/43/47/02/948434702.db2.gz YNOGJCYJMZEPPK-UHFFFAOYSA-N 2 0 256.353 1.942 20 30 CDEDRP CC(C)C[NH+]1CCC(NC2(C#N)CC[NH+](C)CC2)CC1 ZINC001258007586 948679571 /nfs/dbraw/zinc/67/95/71/948679571.db2.gz IQMMGMHESLRWRH-UHFFFAOYSA-N 2 0 278.444 1.684 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC001252494539 951366291 /nfs/dbraw/zinc/36/62/91/951366291.db2.gz YYYMKRVMMBPTFT-HNNXBMFYSA-N 2 0 270.417 1.260 20 30 CDEDRP C=CCC[C@@H](O)C[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001252624135 951515508 /nfs/dbraw/zinc/51/55/08/951515508.db2.gz YFZRLKSFOKUHCH-OAHLLOKOSA-N 2 0 268.401 1.014 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001480817135 971892333 /nfs/dbraw/zinc/89/23/33/971892333.db2.gz AWPASOJWIANODR-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001492084981 955646451 /nfs/dbraw/zinc/64/64/51/955646451.db2.gz HLOOIXLTXQLJAH-KGLIPLIRSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC001340312127 962883499 /nfs/dbraw/zinc/88/34/99/962883499.db2.gz MAYIZURVVVLHSX-STQMWFEESA-N 2 0 253.390 1.318 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC001340350575 962902416 /nfs/dbraw/zinc/90/24/16/962902416.db2.gz XYUKSGDAIYSIKR-KBPBESRZSA-N 2 0 273.380 1.587 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001340753165 963107938 /nfs/dbraw/zinc/10/79/38/963107938.db2.gz OCBJVYGQWVCFLR-WTUNAVPPSA-N 2 0 265.401 1.411 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001439614176 963822309 /nfs/dbraw/zinc/82/23/09/963822309.db2.gz YPYKNVXFIPBSKL-ZDUSSCGKSA-N 2 0 299.846 1.850 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001353581595 968081462 /nfs/dbraw/zinc/08/14/62/968081462.db2.gz LAGHZPVUTNPXHN-OAHLLOKOSA-N 2 0 288.395 1.414 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001100669369 968910933 /nfs/dbraw/zinc/91/09/33/968910933.db2.gz WCSOQRHOZWAUDQ-UYSNPLJNSA-N 2 0 293.455 1.615 20 30 CDEDRP C[NH+]=C(NCC1(N2CCOCC2)CCCCC1)NC1CC1 ZINC000848981232 969377593 /nfs/dbraw/zinc/37/75/93/969377593.db2.gz HWLVKEPPNNAMLB-UHFFFAOYSA-N 2 0 294.443 1.349 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790708 1163479621 /nfs/dbraw/zinc/47/96/21/1163479621.db2.gz JOQGMCXTHHAZRE-MRXNPFEDSA-N 2 0 291.439 1.513 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001133345941 1163648410 /nfs/dbraw/zinc/64/84/10/1163648410.db2.gz IITZCZJDWZICRK-JKSUJKDBSA-N 2 0 295.471 1.977 20 30 CDEDRP C#CC[C@]1(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)CCC[NH2+]1 ZINC001574515848 1170989256 /nfs/dbraw/zinc/98/92/56/1170989256.db2.gz AIHCSJIGIPWDFH-GRDNDAEWSA-N 2 0 289.423 1.121 20 30 CDEDRP CCNC(=[NH2+])NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000083052694 342111128 /nfs/dbraw/zinc/11/11/28/342111128.db2.gz UTJJFBSFFKPLCY-ZDUSSCGKSA-N 2 0 262.401 1.821 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612972175 347349856 /nfs/dbraw/zinc/34/98/56/347349856.db2.gz YXGPMTPRSNACPC-AWEZNQCLSA-N 2 0 292.427 1.078 20 30 CDEDRP N#CC1(CCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCOCC1 ZINC000619620100 349262483 /nfs/dbraw/zinc/26/24/83/349262483.db2.gz QBMDNPTYHXJUQF-OKILXGFUSA-N 2 0 263.385 1.238 20 30 CDEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cccc(C#N)c1 ZINC000106485553 186119803 /nfs/dbraw/zinc/11/98/03/186119803.db2.gz PMIXGGHGIMDKJW-CQSZACIVSA-N 2 0 272.396 1.284 20 30 CDEDRP COc1ccc(NC(=[NH2+])NCC(C)(C)[NH+](C)C)cc1 ZINC000264110526 362968973 /nfs/dbraw/zinc/96/89/73/362968973.db2.gz OVERNVRAERCVJQ-UHFFFAOYSA-N 2 0 264.373 1.762 20 30 CDEDRP N#Cc1ccccc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000312451404 350771431 /nfs/dbraw/zinc/77/14/31/350771431.db2.gz XFXZUNSHDNBKSF-INIZCTEOSA-N 2 0 270.380 1.038 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000123226019 360353130 /nfs/dbraw/zinc/35/31/30/360353130.db2.gz UMAAQXYJRJGAHK-HOCLYGCPSA-N 2 0 291.439 1.273 20 30 CDEDRP CC1CCN(C(=[NH2+])NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000122479125 370817654 /nfs/dbraw/zinc/81/76/54/370817654.db2.gz BGWDSZBCQMSGAL-AWEZNQCLSA-N 2 0 266.433 1.765 20 30 CDEDRP COc1ccc(C#N)cc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000131551783 375286051 /nfs/dbraw/zinc/28/60/51/375286051.db2.gz BCQQCARSCDVTJG-KBPBESRZSA-N 2 0 257.337 1.218 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000417528533 377876976 /nfs/dbraw/zinc/87/69/76/377876976.db2.gz OXRKNTBKAVBHFV-OAHLLOKOSA-N 2 0 296.459 1.652 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2C[NH2+]C)CC1 ZINC000417541451 377937404 /nfs/dbraw/zinc/93/74/04/377937404.db2.gz RKBZLOWMVOQBRN-HNNXBMFYSA-N 2 0 294.443 1.420 20 30 CDEDRP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639144156 378791232 /nfs/dbraw/zinc/79/12/32/378791232.db2.gz HFZQQAYURHOKNJ-GDBMZVCRSA-N 2 0 296.455 1.793 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2cncn2C)CC1 ZINC000290594589 390396431 /nfs/dbraw/zinc/39/64/31/390396431.db2.gz BMJHSVIJUIPLOI-UHFFFAOYSA-N 2 0 291.399 1.260 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000104171796 390485554 /nfs/dbraw/zinc/48/55/54/390485554.db2.gz SODNPJNBTHWRIQ-LBPRGKRZSA-N 2 0 278.400 1.187 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])[C@H](C)CC)CC1 ZINC000236913677 390486633 /nfs/dbraw/zinc/48/66/33/390486633.db2.gz PXSYTPUNOQGUJF-YPMHNXCESA-N 2 0 253.390 1.126 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@]2(CC)CC[NH2+]C2)CC1 ZINC000370844461 390590335 /nfs/dbraw/zinc/59/03/35/390590335.db2.gz VFLPWEOQKHFDPC-OAHLLOKOSA-N 2 0 265.401 1.143 20 30 CDEDRP C=CCNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000339334143 391284950 /nfs/dbraw/zinc/28/49/50/391284950.db2.gz OOVINTBAJQULJI-UHFFFAOYSA-N 2 0 270.421 1.087 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339426418 391298783 /nfs/dbraw/zinc/29/87/83/391298783.db2.gz LTIXMJNNUMGXEL-GJZGRUSLSA-N 2 0 252.402 1.731 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000519753915 391700527 /nfs/dbraw/zinc/70/05/27/391700527.db2.gz ZIAKMVYEIZHYLM-CQSZACIVSA-N 2 0 294.443 1.326 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H](C)C[NH3+])C(C)C ZINC000285806909 391721097 /nfs/dbraw/zinc/72/10/97/391721097.db2.gz QYFFMOSQXPQFKJ-KGLIPLIRSA-N 2 0 267.417 1.396 20 30 CDEDRP C[NH+]=C(NCc1ncccc1C)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262803203 391826099 /nfs/dbraw/zinc/82/60/99/391826099.db2.gz RQFYDRFTWFQUNQ-OAHLLOKOSA-N 2 0 299.422 1.412 20 30 CDEDRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1C#N ZINC000261728144 140381727 /nfs/dbraw/zinc/38/17/27/140381727.db2.gz KXEUVQCIWNLTHX-KKUMJFAQSA-N 2 0 271.364 1.736 20 30 CDEDRP C[NH+]=C(NCc1ccco1)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000158356592 261163887 /nfs/dbraw/zinc/16/38/87/261163887.db2.gz GWOHDYFMUBRRGL-OCCSQVGLSA-N 2 0 278.400 1.673 20 30 CDEDRP C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)C1=O ZINC000414756364 263039216 /nfs/dbraw/zinc/03/92/16/263039216.db2.gz QOKZRWFEEKIQMY-RDBSUJKOSA-N 2 0 265.401 1.093 20 30 CDEDRP C#Cc1ccc(C[NH2+]CCC[N@@H+](C)CCOC)cc1 ZINC000289188396 275387742 /nfs/dbraw/zinc/38/77/42/275387742.db2.gz GQOJFOINQDPTIX-UHFFFAOYSA-N 2 0 260.381 1.726 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)CC[NH2+]C)C(C)C ZINC000285784108 277850138 /nfs/dbraw/zinc/85/01/38/277850138.db2.gz NSMWBITVUDJYCW-CQSZACIVSA-N 2 0 267.417 1.411 20 30 CDEDRP Cc1ccc(NC(=[NH2+])NCCn2ccnc2)cc1C ZINC000264148479 328157899 /nfs/dbraw/zinc/15/78/99/328157899.db2.gz YRFLAJFLAILTRA-UHFFFAOYSA-N 2 0 257.341 1.927 20 30 CDEDRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185881511 329334500 /nfs/dbraw/zinc/33/45/00/329334500.db2.gz ATYPTMXMIVOHRM-HZPDHXFCSA-N 2 0 278.444 1.686 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001022717076 1159124998 /nfs/dbraw/zinc/12/49/98/1159124998.db2.gz OVXMZCCVNPHPBD-OKILXGFUSA-N 2 0 279.428 1.531 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CCCS1)NCC1CC[NH+](C)CC1 ZINC000261656897 329974861 /nfs/dbraw/zinc/97/48/61/329974861.db2.gz AGEMEPRTOAPXDQ-ZDUSSCGKSA-N 2 0 284.473 1.389 20 30 CDEDRP CN(C(=[NH2+])NCC1([NH+]2CCSCC2)CCCC1)C1CC1 ZINC000262167402 330001298 /nfs/dbraw/zinc/00/12/98/330001298.db2.gz BYWYTHHPTCBBNB-UHFFFAOYSA-N 2 0 296.484 1.757 20 30 CDEDRP CN1CC[NH+]=C1NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000262200961 330003848 /nfs/dbraw/zinc/00/38/48/330003848.db2.gz AUQLOJUNDHSMMC-ZDUSSCGKSA-N 2 0 252.406 1.388 20 30 CDEDRP COC[C@@]1(C[NH2+]C2CCC(C)(C#N)CC2)CCC[NH2+]1 ZINC000423412424 330197251 /nfs/dbraw/zinc/19/72/51/330197251.db2.gz HQIQXBJTPXMFEC-NRXISQOPSA-N 2 0 265.401 1.817 20 30 CDEDRP C#CCN(C)CCC[NH2+][C@@H](C)Cc1cccc(OC)n1 ZINC000491073463 332147283 /nfs/dbraw/zinc/14/72/83/332147283.db2.gz ZNAFVKNODHVJIO-AWEZNQCLSA-N 2 0 275.396 1.566 20 30 CDEDRP C=CCCC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001755385686 1160124628 /nfs/dbraw/zinc/12/46/28/1160124628.db2.gz AYHPCDHMTJHALL-LSDHHAIUSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001755836160 1160620953 /nfs/dbraw/zinc/62/09/53/1160620953.db2.gz OHWQDMVGTFOOLO-CQSZACIVSA-N 2 0 291.439 1.226 20 30 CDEDRP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182492 1161545350 /nfs/dbraw/zinc/54/53/50/1161545350.db2.gz JVOQEWGPPQTPFQ-MRXNPFEDSA-N 2 0 297.443 1.111 20 30 CDEDRP C#CCC[N@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001753145518 1185085173 /nfs/dbraw/zinc/08/51/73/1185085173.db2.gz KRBMZMGKQGFFSX-OAHLLOKOSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001113345661 1162159288 /nfs/dbraw/zinc/15/92/88/1162159288.db2.gz BBZMSGFRVNBTKW-CABCVRRESA-N 2 0 279.428 1.295 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000740738200 576512935 /nfs/dbraw/zinc/51/29/35/576512935.db2.gz YMJKDEYSRWZGPS-OAHLLOKOSA-N 2 0 279.428 1.177 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC000763043230 576703174 /nfs/dbraw/zinc/70/31/74/576703174.db2.gz OSEJCDATRMMHOY-UHFFFAOYSA-N 2 0 265.401 1.237 20 30 CDEDRP CCc1nc(C=NN2CCN(C)CC2)c2ccccn21 ZINC000755466267 576945876 /nfs/dbraw/zinc/94/58/76/576945876.db2.gz YAOQDFPYDXQDEQ-UHFFFAOYSA-N 2 0 271.368 1.478 20 30 CDEDRP C=CCNC(=S)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000751012797 577023096 /nfs/dbraw/zinc/02/30/96/577023096.db2.gz ZVDVUBRQQASLNX-CQSZACIVSA-N 2 0 298.500 1.395 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC000970452910 612963674 /nfs/dbraw/zinc/96/36/74/612963674.db2.gz LKQJEKJGVIRPQW-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000969964642 612965596 /nfs/dbraw/zinc/96/55/96/612965596.db2.gz HEOVOXMTWLXDOM-QGZVFWFLSA-N 2 0 299.418 1.228 20 30 CDEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC000961153447 613045359 /nfs/dbraw/zinc/04/53/59/613045359.db2.gz VYGGLAFWCSZZRU-ZSHCYNCHSA-N 2 0 294.358 1.018 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000972007415 613082285 /nfs/dbraw/zinc/08/22/85/613082285.db2.gz ABXSZJOOFXMLQK-HZPDHXFCSA-N 2 0 289.423 1.027 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000957761928 613257872 /nfs/dbraw/zinc/25/78/72/613257872.db2.gz TYLXFPYJJTVNBB-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968547870 613323600 /nfs/dbraw/zinc/32/36/00/613323600.db2.gz BCVQUTRGYALYLG-CABCVRRESA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000968967573 613348216 /nfs/dbraw/zinc/34/82/16/613348216.db2.gz VISKFIJBXKTYGX-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939136824 613349960 /nfs/dbraw/zinc/34/99/60/613349960.db2.gz CGAVKUNAXVQVDO-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000957325697 613505856 /nfs/dbraw/zinc/50/58/56/613505856.db2.gz UEVXPWDPHXMURQ-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC000981666528 613543290 /nfs/dbraw/zinc/54/32/90/613543290.db2.gz VQSDASPEWOKGGJ-OAHLLOKOSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000971682674 613612834 /nfs/dbraw/zinc/61/28/34/613612834.db2.gz OZRYEZBWKFKOEX-JKSUJKDBSA-N 2 0 293.455 1.968 20 30 CDEDRP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967232767 613771774 /nfs/dbraw/zinc/77/17/74/613771774.db2.gz VXZHWGUALCYKAX-LSDHHAIUSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC000978160218 613834945 /nfs/dbraw/zinc/83/49/45/613834945.db2.gz RCKUPLRLDOBZDI-LVQVYYBASA-N 2 0 291.439 1.339 20 30 CDEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000960264930 613839302 /nfs/dbraw/zinc/83/93/02/613839302.db2.gz JFYZKMCORUOEOC-WCVJEAGWSA-N 2 0 291.439 1.197 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000968644587 613865434 /nfs/dbraw/zinc/86/54/34/613865434.db2.gz CFAAQJZEJYJYHW-ZIAGYGMSSA-N 2 0 265.401 1.236 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939127366 613868608 /nfs/dbraw/zinc/86/86/08/613868608.db2.gz CQQXOXFFVSOLQF-ZIAGYGMSSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000849024378 617711313 /nfs/dbraw/zinc/71/13/13/617711313.db2.gz WDXVPVQNHJLJHK-GFCCVEGCSA-N 2 0 252.406 1.797 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157710594 1162321606 /nfs/dbraw/zinc/32/16/06/1162321606.db2.gz IOIOPVXBKUVHHA-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133823376 1163911775 /nfs/dbraw/zinc/91/17/75/1163911775.db2.gz DQUAWMWXEVNQDA-CYBMUJFWSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001566682827 1168386879 /nfs/dbraw/zinc/38/68/79/1168386879.db2.gz NJODEGNUUUHLLX-HOTGVXAUSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCOCC[NH+]1CCC2(CCC[C@@H]2C[NH3+])CC1 ZINC001574735600 1170999655 /nfs/dbraw/zinc/99/96/55/1170999655.db2.gz KRSSACJWRXYHHU-CQSZACIVSA-N 2 0 250.386 1.477 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001574835397 1171021440 /nfs/dbraw/zinc/02/14/40/1171021440.db2.gz AJLSDFBKTZFEKK-ZIAGYGMSSA-N 2 0 279.428 1.531 20 30 CDEDRP COc1cc(C#N)ccc1OCC[N@H+](C)CC(C)(C)C[NH3+] ZINC001579139361 1172103876 /nfs/dbraw/zinc/10/38/76/1172103876.db2.gz XIOQTGLOSWTCAC-UHFFFAOYSA-N 2 0 291.395 1.862 20 30 CDEDRP C#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001716895531 1180456458 /nfs/dbraw/zinc/45/64/58/1180456458.db2.gz JYKYWDNBGVHYTP-RDJZCZTQSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001725271516 1181947825 /nfs/dbraw/zinc/94/78/25/1181947825.db2.gz QGDLUALIIXKESQ-HIFRSBDPSA-N 2 0 281.444 1.585 20 30 CDEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001752642053 1184887676 /nfs/dbraw/zinc/88/76/76/1184887676.db2.gz NKWBPJNAQAAHEM-FPCVCCKLSA-N 2 0 289.423 1.263 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001752772226 1184905271 /nfs/dbraw/zinc/90/52/71/1184905271.db2.gz RHNUTBJSPJYPKF-BETUJISGSA-N 2 0 253.390 1.141 20 30 CDEDRP C=CC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001753159720 1185092055 /nfs/dbraw/zinc/09/20/55/1185092055.db2.gz AHBHTRNXKRDURT-ZDUSSCGKSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001753324887 1185154051 /nfs/dbraw/zinc/15/40/51/1185154051.db2.gz MCFKLYHHSCCPNC-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+](C)C)CCC1 ZINC001753421776 1185197936 /nfs/dbraw/zinc/19/79/36/1185197936.db2.gz WWGLHQMPUBNYAV-GJZGRUSLSA-N 2 0 291.439 1.722 20 30 CDEDRP C=C(Cl)C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001754157719 1185487065 /nfs/dbraw/zinc/48/70/65/1185487065.db2.gz XVLYNGLXHNTXAN-SNAWJCMRSA-N 2 0 299.846 1.875 20 30 CDEDRP C=CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001754178074 1185495124 /nfs/dbraw/zinc/49/51/24/1185495124.db2.gz IAZAZFZIOCGTBM-IDTUSYRASA-N 2 0 279.428 1.697 20 30 CDEDRP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001754316663 1185571585 /nfs/dbraw/zinc/57/15/85/1185571585.db2.gz QFLHQXNLUAVIRI-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001754621362 1185687135 /nfs/dbraw/zinc/68/71/35/1185687135.db2.gz SVVCPWDGGJKZAY-INIZCTEOSA-N 2 0 291.439 1.466 20 30 CDEDRP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001754713774 1185712553 /nfs/dbraw/zinc/71/25/53/1185712553.db2.gz XUPAYHLPUNFHNW-QGZVFWFLSA-N 2 0 293.455 1.877 20 30 CDEDRP C=CC[N@H+]1CCC[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001754732434 1185718288 /nfs/dbraw/zinc/71/82/88/1185718288.db2.gz UQCHGVPKLKRRAE-MRXNPFEDSA-N 2 0 291.439 1.487 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001755311451 1185911004 /nfs/dbraw/zinc/91/10/04/1185911004.db2.gz OPYDEKJJVMDECK-AWEZNQCLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001755478588 1185963105 /nfs/dbraw/zinc/96/31/05/1185963105.db2.gz INBOEJORJRJPAD-JYJNAYRXSA-N 2 0 293.455 1.779 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001566672540 1168382199 /nfs/dbraw/zinc/38/21/99/1168382199.db2.gz OXSJYSDUQOLRSZ-UONOGXRCSA-N 2 0 267.417 1.339 20 30 CDEDRP C[C@H](C[NH2+]C[C@@H](O)c1ccc(C#N)cc1)C[NH+]1CCCC1 ZINC000062071215 912252682 /nfs/dbraw/zinc/25/26/82/912252682.db2.gz NKFXINITYILBBP-RHSMWYFYSA-N 2 0 287.407 1.913 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001095056020 912294797 /nfs/dbraw/zinc/29/47/97/912294797.db2.gz CNAYVZGZQFDYGA-ZNMIVQPWSA-N 2 0 277.412 1.237 20 30 CDEDRP C#CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CC[C@H](C)C3)CCC[C@H]12 ZINC000992193264 912807089 /nfs/dbraw/zinc/80/70/89/912807089.db2.gz VAKMZJQOQUKJHO-YQQAZPJKSA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001106148447 913435233 /nfs/dbraw/zinc/43/52/33/913435233.db2.gz PSNAZQGKQFYITK-KLHDSHLOSA-N 2 0 293.455 1.587 20 30 CDEDRP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021737985 895724391 /nfs/dbraw/zinc/72/43/91/895724391.db2.gz XYORXXMFJNPYRJ-HOTGVXAUSA-N 2 0 289.423 1.028 20 30 CDEDRP CC[NH+]=C(NCC[NH2+]C(C)(C)C)N1CC[C@@]2(CCOC2)C1 ZINC000157961731 896135210 /nfs/dbraw/zinc/13/52/10/896135210.db2.gz IQNQEVHJSNNHOA-MRXNPFEDSA-N 2 0 296.459 1.452 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001022291411 896236255 /nfs/dbraw/zinc/23/62/55/896236255.db2.gz ZEQXQLJWHKZNDM-FRRDWIJNSA-N 2 0 285.819 1.460 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106633381 914082501 /nfs/dbraw/zinc/08/25/01/914082501.db2.gz HUUAIDAIHLDZOX-BZUAXINKSA-N 2 0 295.471 1.833 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001022712000 896797182 /nfs/dbraw/zinc/79/71/82/896797182.db2.gz ICBAPHVZAXBEBU-MCIONIFRSA-N 2 0 265.401 1.284 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)CCn1ccnc1C(C)C ZINC001167588322 896933885 /nfs/dbraw/zinc/93/38/85/896933885.db2.gz KRSGDSXBVPUEDL-UHFFFAOYSA-N 2 0 278.400 1.679 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001023125473 897388485 /nfs/dbraw/zinc/38/84/85/897388485.db2.gz RIXDFDLQKVBQAE-ZQDZILKHSA-N 2 0 279.428 1.672 20 30 CDEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C ZINC001106705021 914169574 /nfs/dbraw/zinc/16/95/74/914169574.db2.gz NPYHBHYPPSWJOQ-ZIAGYGMSSA-N 2 0 290.411 1.603 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176879475 914329639 /nfs/dbraw/zinc/32/96/39/914329639.db2.gz AUTYSLGLPTUEMN-UHFFFAOYSA-N 2 0 253.390 1.144 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176974980 914410969 /nfs/dbraw/zinc/41/09/69/914410969.db2.gz FQALPUWXAULFEC-UHFFFAOYSA-N 2 0 255.406 1.389 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001027434268 900497055 /nfs/dbraw/zinc/49/70/55/900497055.db2.gz NKCQODBZOOACOA-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028116514 901370409 /nfs/dbraw/zinc/37/04/09/901370409.db2.gz HLULBFUOSMGVKJ-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP CC[N@H+](CCNC(=[NH+]C)N1CCSC(C)(C)C1)C1CC1 ZINC000261638800 901823230 /nfs/dbraw/zinc/82/32/30/901823230.db2.gz ACQIOJUATQQRPS-UHFFFAOYSA-N 2 0 298.500 1.874 20 30 CDEDRP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028647899 903191237 /nfs/dbraw/zinc/19/12/37/903191237.db2.gz PKVLXDGBURFCJX-HOTGVXAUSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001029001698 904592034 /nfs/dbraw/zinc/59/20/34/904592034.db2.gz BIYPBKAUTRAVBE-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C/C(=[NH+]\COC)n1cc(CC[NH3+])c2cc(O)ccc21 ZINC001167983549 904923294 /nfs/dbraw/zinc/92/32/94/904923294.db2.gz OXLOXXJCAINGEY-BMRADRMJSA-N 2 0 273.336 1.885 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001002955327 921271692 /nfs/dbraw/zinc/27/16/92/921271692.db2.gz KPWRSIGUTCIPFO-INIZCTEOSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001088382297 907068054 /nfs/dbraw/zinc/06/80/54/907068054.db2.gz YPMPPLDDUAISCO-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075906008 908130895 /nfs/dbraw/zinc/13/08/95/908130895.db2.gz DVNRCBZZIIGFEZ-ARFHVFGLSA-N 2 0 291.439 1.580 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000988962128 908624479 /nfs/dbraw/zinc/62/44/79/908624479.db2.gz QHBYLVMEFZFQRU-QWHCGFSZSA-N 2 0 299.846 1.802 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC001088708537 909179662 /nfs/dbraw/zinc/17/96/62/909179662.db2.gz XIJMWUSHXDJERH-CJNGLKHVSA-N 2 0 296.374 1.550 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076242487 909820571 /nfs/dbraw/zinc/82/05/71/909820571.db2.gz GWOCLGYNNRWRAA-QLFBSQMISA-N 2 0 277.412 1.047 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127066572 911264213 /nfs/dbraw/zinc/26/42/13/911264213.db2.gz QBNDCXJQZYMRKB-LBPRGKRZSA-N 2 0 273.808 1.318 20 30 CDEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001031684157 914893578 /nfs/dbraw/zinc/89/35/78/914893578.db2.gz JAIKQOBSEYCASC-JKSUJKDBSA-N 2 0 293.455 1.731 20 30 CDEDRP N#Cc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236313994 914951138 /nfs/dbraw/zinc/95/11/38/914951138.db2.gz DLBNZFDTZYNQKX-IYBDPMFKSA-N 2 0 255.365 1.990 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001179580593 915908217 /nfs/dbraw/zinc/90/82/17/915908217.db2.gz JHAYVZXOWYIGCL-OAHLLOKOSA-N 2 0 281.444 1.923 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001179657169 915916593 /nfs/dbraw/zinc/91/65/93/915916593.db2.gz WGTXIAWSCRJSGV-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001179987372 916104584 /nfs/dbraw/zinc/10/45/84/916104584.db2.gz STFDNNBMUUMWSX-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000303899758 935046790 /nfs/dbraw/zinc/04/67/90/935046790.db2.gz RSLJXLJIMKKRBA-KGLIPLIRSA-N 2 0 284.448 1.580 20 30 CDEDRP CC[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)[NH+]1CCCC1 ZINC000303906060 935047476 /nfs/dbraw/zinc/04/74/76/935047476.db2.gz VVMCSCGHZJEXNR-LSDHHAIUSA-N 3 0 295.475 1.249 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000303891679 935047511 /nfs/dbraw/zinc/04/75/11/935047511.db2.gz NFLDJOKJQQDOGB-UONOGXRCSA-N 2 0 284.448 1.438 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC)CC2)CC1 ZINC001052954754 936405668 /nfs/dbraw/zinc/40/56/68/936405668.db2.gz RLDXCVJNWZKTAR-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001054729749 936469904 /nfs/dbraw/zinc/46/99/04/936469904.db2.gz BNKKONBXSIWCRS-YPMHNXCESA-N 2 0 299.846 1.660 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC001183091859 918284534 /nfs/dbraw/zinc/28/45/34/918284534.db2.gz OUYPJKHDVBHAMS-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001183783159 918691718 /nfs/dbraw/zinc/69/17/18/918691718.db2.gz TVKLCWWICJIFIT-CQSZACIVSA-N 2 0 288.395 1.284 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000997086627 918879066 /nfs/dbraw/zinc/87/90/66/918879066.db2.gz AIEACVIXPDXRFT-HOTGVXAUSA-N 2 0 289.423 1.217 20 30 CDEDRP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001001447996 936551811 /nfs/dbraw/zinc/55/18/11/936551811.db2.gz FTNDDCMSLYEJMH-INIZCTEOSA-N 2 0 291.439 1.653 20 30 CDEDRP CCC1(Nc2ccc(/[NH+]=C/N(C)C)c(C#N)c2)C[NH2+]C1 ZINC001168582667 919287937 /nfs/dbraw/zinc/28/79/37/919287937.db2.gz WEEBYURWOJHBPT-WOJGMQOQSA-N 2 0 271.368 1.944 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001052255243 936580095 /nfs/dbraw/zinc/58/00/95/936580095.db2.gz XYXBHOFHRKFLSE-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001185751747 919755000 /nfs/dbraw/zinc/75/50/00/919755000.db2.gz QFRPBNPMOCXGTC-HZPDHXFCSA-N 2 0 293.455 1.424 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001186488726 920035977 /nfs/dbraw/zinc/03/59/77/920035977.db2.gz UBRSFHIESJDCNQ-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(C#N)ccc1F ZINC001139651103 936634326 /nfs/dbraw/zinc/63/43/26/936634326.db2.gz BUZRTJITKRXNMZ-UHFFFAOYSA-N 2 0 292.402 1.623 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186824817 920187026 /nfs/dbraw/zinc/18/70/26/920187026.db2.gz NBAPKVZAFDMGHF-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190148884 921851528 /nfs/dbraw/zinc/85/15/28/921851528.db2.gz LITBZAJYYQOXPL-HRCADAONSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001072858654 936711179 /nfs/dbraw/zinc/71/11/79/936711179.db2.gz CJESRSVGCZOWBP-CQSZACIVSA-N 2 0 277.412 1.191 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190221844 921904368 /nfs/dbraw/zinc/90/43/68/921904368.db2.gz QNIJUKKZXIAUNI-HOTGVXAUSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190445581 921997068 /nfs/dbraw/zinc/99/70/68/921997068.db2.gz ZBDOEJNPLZBSCF-HUUCEWRRSA-N 2 0 297.418 1.222 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033927195 922411233 /nfs/dbraw/zinc/41/12/33/922411233.db2.gz JXHWBWMMRGBFEC-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033940672 922432118 /nfs/dbraw/zinc/43/21/18/922432118.db2.gz JXHMFZBIQOLMET-MRXNPFEDSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191145616 922443148 /nfs/dbraw/zinc/44/31/48/922443148.db2.gz XJTUCMJEFFNLOG-OAHLLOKOSA-N 2 0 289.423 1.171 20 30 CDEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191351775 922500481 /nfs/dbraw/zinc/50/04/81/922500481.db2.gz LQUGHCABMVWNTO-INIZCTEOSA-N 2 0 296.374 1.504 20 30 CDEDRP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001034277108 922574729 /nfs/dbraw/zinc/57/47/29/922574729.db2.gz NKKRHMWRMDAZPD-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000923356731 923775980 /nfs/dbraw/zinc/77/59/80/923775980.db2.gz KHUKUFJKHOARMV-GJZGRUSLSA-N 2 0 252.402 1.635 20 30 CDEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923361983 923788253 /nfs/dbraw/zinc/78/82/53/923788253.db2.gz JNLRPNQVSJIHFP-ILXRZTDVSA-N 2 0 252.402 1.635 20 30 CDEDRP C=CCOC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001194310413 924149547 /nfs/dbraw/zinc/14/95/47/924149547.db2.gz XQZBLDATDRMVRU-UHFFFAOYSA-N 2 0 271.405 1.514 20 30 CDEDRP N#Cc1cccc(CCC[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205664888 924224097 /nfs/dbraw/zinc/22/40/97/924224097.db2.gz PHIPZXKBYBZBJM-KRWDZBQOSA-N 2 0 287.407 1.667 20 30 CDEDRP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001080552804 924594387 /nfs/dbraw/zinc/59/43/87/924594387.db2.gz LBTSMLMQLUJOID-BZUAXINKSA-N 2 0 293.455 1.872 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001100901766 936943715 /nfs/dbraw/zinc/94/37/15/936943715.db2.gz NIRXEFDIYBKYPC-UHFFFAOYSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001196295733 924870252 /nfs/dbraw/zinc/87/02/52/924870252.db2.gz PZLXBHMPNLADGA-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001084661751 925338150 /nfs/dbraw/zinc/33/81/50/925338150.db2.gz HLVDUJBMORBAQG-RRFJBIMHSA-N 2 0 277.412 1.189 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@@H]21 ZINC001085032025 925586661 /nfs/dbraw/zinc/58/66/61/925586661.db2.gz LHQDBIAJJZNYJG-OAGGEKHMSA-N 2 0 291.439 1.580 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102473565 937059517 /nfs/dbraw/zinc/05/95/17/937059517.db2.gz GGNKTZCPKFNVIC-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C#CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085593792 926191352 /nfs/dbraw/zinc/19/13/52/926191352.db2.gz ROEIWKHBVHPXDS-CABCVRRESA-N 2 0 277.412 1.025 20 30 CDEDRP CC#CC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001102497572 937061458 /nfs/dbraw/zinc/06/14/58/937061458.db2.gz YYXMMHONDUKFNP-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085605798 926203269 /nfs/dbraw/zinc/20/32/69/926203269.db2.gz UANIQIHRISEFBR-BZUAXINKSA-N 2 0 293.455 1.826 20 30 CDEDRP C[NH+]1CCN(c2cc(Nc3cc(C#N)ccn3)cc[nH+]2)CC1 ZINC001201647520 926375334 /nfs/dbraw/zinc/37/53/34/926375334.db2.gz DMGVPVZLLRKDTP-UHFFFAOYSA-N 2 0 294.362 1.844 20 30 CDEDRP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CCC)C1 ZINC001103664599 937150123 /nfs/dbraw/zinc/15/01/23/937150123.db2.gz LFMFEJJJQYBBDA-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103721118 937152399 /nfs/dbraw/zinc/15/23/99/937152399.db2.gz DDCNRLFPBCNMHQ-BZUAXINKSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+](CC)CC)C2 ZINC001108785979 928632103 /nfs/dbraw/zinc/63/21/03/928632103.db2.gz SBEQDHXWDWHAGV-XHSDSOJGSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)CCC ZINC001156529477 928739612 /nfs/dbraw/zinc/73/96/12/928739612.db2.gz BDPPQMUIXDKVTF-CQSZACIVSA-N 2 0 267.417 1.178 20 30 CDEDRP C=C[C@@](C)(O)CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001252556152 929207994 /nfs/dbraw/zinc/20/79/94/929207994.db2.gz BCBGRVQKWXRLFN-OAHLLOKOSA-N 2 0 271.449 1.129 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CCC ZINC001115159987 937330671 /nfs/dbraw/zinc/33/06/71/937330671.db2.gz MJRPFNOFWIIPJQ-AIANPOQGSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001112861410 929508590 /nfs/dbraw/zinc/50/85/90/929508590.db2.gz ZYMOUMVIIQONTK-INIZCTEOSA-N 2 0 291.439 1.439 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](C)C[C@H]2CC)CC1 ZINC000798142505 937347593 /nfs/dbraw/zinc/34/75/93/937347593.db2.gz YYHSPEHYRPJAMZ-MRXNPFEDSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369879 929717443 /nfs/dbraw/zinc/71/74/43/929717443.db2.gz UFJLFRHPWNGNDD-GJZGRUSLSA-N 2 0 293.455 1.757 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001170784227 930007730 /nfs/dbraw/zinc/00/77/30/930007730.db2.gz HAXJJNZODCIBGX-INIZCTEOSA-N 2 0 293.455 1.760 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1cc(F)ccc1N(C)C ZINC000883131228 930147052 /nfs/dbraw/zinc/14/70/52/930147052.db2.gz QBCVSJHFXPEIET-UHFFFAOYSA-N 2 0 277.387 1.936 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860656 930480252 /nfs/dbraw/zinc/48/02/52/930480252.db2.gz FXMTZRLPXOZSSD-UONOGXRCSA-N 2 0 269.433 1.777 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135955094 930563473 /nfs/dbraw/zinc/56/34/73/930563473.db2.gz GTJJIVLRGKAJBG-UONOGXRCSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CCn1ccc2c1ncnc2N[C@H]([NH3+])CCC[NH3+] ZINC001170898436 930695905 /nfs/dbraw/zinc/69/59/05/930695905.db2.gz NFYBCLSHWZBSAE-NSHDSACASA-N 2 0 260.345 1.053 20 30 CDEDRP N#Cc1ncc(N[C@@H]([NH3+])CCC[NH3+])cc1C(F)(F)F ZINC001170900184 930699883 /nfs/dbraw/zinc/69/98/83/930699883.db2.gz PWUPVKSCRAFICM-SNVBAGLBSA-N 2 0 273.262 1.408 20 30 CDEDRP C#CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC[NH+](C)CC1 ZINC000886571202 930907597 /nfs/dbraw/zinc/90/75/97/930907597.db2.gz MNRPDWCQOFCEFH-MRXNPFEDSA-N 2 0 291.439 1.415 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001153653830 937459424 /nfs/dbraw/zinc/45/94/24/937459424.db2.gz HJGBQOWHYJCSJG-KGLIPLIRSA-N 2 0 287.423 1.679 20 30 CDEDRP C=CCCCC[NH+]1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001274975202 931622843 /nfs/dbraw/zinc/62/28/43/931622843.db2.gz YOUHJIDYYOATJH-UHFFFAOYSA-N 2 0 265.445 1.912 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147835535 932616643 /nfs/dbraw/zinc/61/66/43/932616643.db2.gz UBPJNSVHGICQAT-GJZGRUSLSA-N 2 0 281.444 1.779 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@]2(C)C1 ZINC001092050367 932912684 /nfs/dbraw/zinc/91/26/84/932912684.db2.gz RZGZNXOXXJRPCV-CJNGLKHVSA-N 2 0 288.395 1.309 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001155751589 937670664 /nfs/dbraw/zinc/67/06/64/937670664.db2.gz QBQPDSFMXFVQEA-ZIAGYGMSSA-N 2 0 290.411 1.438 20 30 CDEDRP C[C@@H]1C[NH+](CCCC[NH2+]C[C@H](C#N)CCC#N)C[C@@H](C)O1 ZINC001120480897 937801997 /nfs/dbraw/zinc/80/19/97/937801997.db2.gz GYXPYDMQVVQPBJ-OAGGEKHMSA-N 2 0 292.427 1.909 20 30 CDEDRP C[C@@H]1C[N@@H+](CCCC[NH2+]C[C@@H](C#N)CCC#N)C[C@H](C)O1 ZINC001120480898 937802065 /nfs/dbraw/zinc/80/20/65/937802065.db2.gz GYXPYDMQVVQPBJ-OWCLPIDISA-N 2 0 292.427 1.909 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000303717537 935042624 /nfs/dbraw/zinc/04/26/24/935042624.db2.gz UEGRSJJPKADAJQ-CHWSQXEVSA-N 2 0 252.406 1.517 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCCC[N@@H+]1CCCC[C@@H]1C ZINC000303781031 935043302 /nfs/dbraw/zinc/04/33/02/935043302.db2.gz LXWVXLXPSOCATI-STQMWFEESA-N 2 0 270.421 1.190 20 30 CDEDRP CC(C)NC(=[NH2+])NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000303879654 935045878 /nfs/dbraw/zinc/04/58/78/935045878.db2.gz GSRVODHJKQEHGT-CHWSQXEVSA-N 2 0 254.422 1.667 20 30 CDEDRP C[N@H+](CCCNC(=[NH2+])N1CCOCC1)C1CCCCC1 ZINC000303874881 935046076 /nfs/dbraw/zinc/04/60/76/935046076.db2.gz DFAGOQCEIHQJNA-UHFFFAOYSA-N 2 0 282.432 1.288 20 30 CDEDRP CCCCNC(=[NH2+])NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000305016932 935098262 /nfs/dbraw/zinc/09/82/62/935098262.db2.gz MHRNZALPWRWPEV-CYBMUJFWSA-N 2 0 254.422 1.669 20 30 CDEDRP C[C@H]1CCC[N@H+](CCCCNC(=[NH2+])N(C)C2CC2)C1 ZINC000305820283 935219390 /nfs/dbraw/zinc/21/93/90/935219390.db2.gz OJCMFTIHXFJPNE-ZDUSSCGKSA-N 2 0 266.433 1.907 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CC ZINC001037973756 935323035 /nfs/dbraw/zinc/32/30/35/935323035.db2.gz BVXUJZNMNNFOJA-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007348006 935378974 /nfs/dbraw/zinc/37/89/74/935378974.db2.gz XSYJNIBTIYJACH-HOTGVXAUSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008764833 935412595 /nfs/dbraw/zinc/41/25/95/935412595.db2.gz DCMVZQYJSAGEGR-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008762608 935412962 /nfs/dbraw/zinc/41/29/62/935412962.db2.gz VAWODYODYMYWHI-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001038622272 935414686 /nfs/dbraw/zinc/41/46/86/935414686.db2.gz IPQNYPFAQVHYKE-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014726276 935547846 /nfs/dbraw/zinc/54/78/46/935547846.db2.gz FIYFQSRDHWAFLH-CABCVRRESA-N 2 0 277.412 1.073 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014910365 935554499 /nfs/dbraw/zinc/55/44/99/935554499.db2.gz QCJGMMYJKQYILL-CQSZACIVSA-N 2 0 277.412 1.239 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015091416 935558198 /nfs/dbraw/zinc/55/81/98/935558198.db2.gz VWDJSTZEQSIROR-CQSZACIVSA-N 2 0 277.412 1.381 20 30 CDEDRP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001040530526 935788485 /nfs/dbraw/zinc/78/84/85/935788485.db2.gz BMDAEECKONHMBE-QGZVFWFLSA-N 2 0 291.439 1.583 20 30 CDEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001040853108 935790557 /nfs/dbraw/zinc/79/05/57/935790557.db2.gz JEHUSMUFYPXBLU-HNNXBMFYSA-N 2 0 291.439 1.274 20 30 CDEDRP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001041405369 935798708 /nfs/dbraw/zinc/79/87/08/935798708.db2.gz BUIBCSHDUAABLL-WBVHZDCISA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001044857282 935872202 /nfs/dbraw/zinc/87/22/02/935872202.db2.gz HOZDKOWWCCREJV-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(Cl)CN1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046598250 935961798 /nfs/dbraw/zinc/96/17/98/935961798.db2.gz NBIKRTMHTPODEX-OAHLLOKOSA-N 2 0 299.846 1.661 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049059507 936106350 /nfs/dbraw/zinc/10/63/50/936106350.db2.gz RXLUTTDOLDIBJL-OAGGEKHMSA-N 2 0 291.439 1.295 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049896656 936186369 /nfs/dbraw/zinc/18/63/69/936186369.db2.gz NTXVKCGISVNAFR-HZPDHXFCSA-N 2 0 291.439 1.724 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC001122004972 937898490 /nfs/dbraw/zinc/89/84/90/937898490.db2.gz UDGINLZQJXGYFX-KBPBESRZSA-N 2 0 267.417 1.661 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001122153595 937909164 /nfs/dbraw/zinc/90/91/64/937909164.db2.gz GFHKEBLZFKCQIC-HUUCEWRRSA-N 2 0 295.427 1.040 20 30 CDEDRP C#CC[C@]1(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)CCC[NH2+]1 ZINC001157969626 938570390 /nfs/dbraw/zinc/57/03/90/938570390.db2.gz MILDFJRYRAYPHA-SJLPKXTDSA-N 2 0 297.402 1.305 20 30 CDEDRP N#Cc1ccc(Cl)nc1C(F)(F)N[C@H]([NH3+])CCC[NH3+] ZINC001159783086 938752564 /nfs/dbraw/zinc/75/25/64/938752564.db2.gz BDAUXYFQLKLYAU-VIFPVBQESA-N 2 0 289.717 1.269 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001159838352 938756484 /nfs/dbraw/zinc/75/64/84/938756484.db2.gz KKEHWVSRQQPQBS-OAHLLOKOSA-N 2 0 279.428 1.084 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160866730 938834585 /nfs/dbraw/zinc/83/45/85/938834585.db2.gz BRVDMKQARZEAMJ-GJZGRUSLSA-N 2 0 279.428 1.675 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001160883774 938837222 /nfs/dbraw/zinc/83/72/22/938837222.db2.gz UYIWHFDGLHFGEX-UONOGXRCSA-N 2 0 269.433 1.777 20 30 CDEDRP COc1ccnc(-n2cc(CC[NH3+])c3c[nH+]ccc32)c1C#N ZINC001160946270 938848027 /nfs/dbraw/zinc/84/80/27/938848027.db2.gz YULPVKGEQXXBLW-UHFFFAOYSA-N 2 0 293.330 1.802 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160966837 938852231 /nfs/dbraw/zinc/85/22/31/938852231.db2.gz DGHIGIXMCLOYQK-RYUDHWBXSA-N 2 0 289.370 1.645 20 30 CDEDRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC(C#Cc2ccccc2)CC1 ZINC001161150070 938876848 /nfs/dbraw/zinc/87/68/48/938876848.db2.gz DFNCBRHYURCQFZ-QGZVFWFLSA-N 2 0 299.418 1.343 20 30 CDEDRP C#CC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001161207878 938879289 /nfs/dbraw/zinc/87/92/89/938879289.db2.gz XLQQGLBSNHUDJQ-OAHLLOKOSA-N 2 0 289.423 1.242 20 30 CDEDRP C=CC(NCC[C@H]1C[NH2+]Cc2cccn2C1)=[NH+]COC ZINC001163057384 939186656 /nfs/dbraw/zinc/18/66/56/939186656.db2.gz ZZGRECGMDWUIPW-ZDUSSCGKSA-N 2 0 276.384 1.376 20 30 CDEDRP N#CCc1cc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)cc[nH+]1 ZINC001163650555 939298735 /nfs/dbraw/zinc/29/87/35/939298735.db2.gz SBVPPXLXNUCXSP-JKSUJKDBSA-N 2 0 286.379 1.283 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001165485548 939567484 /nfs/dbraw/zinc/56/74/84/939567484.db2.gz YUFRBSNQXPTBKY-OAHLLOKOSA-N 2 0 293.455 1.779 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001166883946 939647052 /nfs/dbraw/zinc/64/70/52/939647052.db2.gz ZRTLGYSYFUOZIG-UHFFFAOYSA-N 2 0 281.444 1.780 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001166985555 939667942 /nfs/dbraw/zinc/66/79/42/939667942.db2.gz BGKIYCYMIXGSOK-UHFFFAOYSA-N 2 0 291.439 1.228 20 30 CDEDRP N#Cc1cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)ccc1F ZINC001205208209 939835790 /nfs/dbraw/zinc/83/57/90/939835790.db2.gz BYVZLEVQAFIQBT-HNNXBMFYSA-N 2 0 277.343 1.373 20 30 CDEDRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccnc(C#N)c2)CC1 ZINC001206326314 940018580 /nfs/dbraw/zinc/01/85/80/940018580.db2.gz MTIKCRKIFWIDCO-OAHLLOKOSA-N 2 0 258.369 1.904 20 30 CDEDRP C[N+](C)(C)C[C@@H](CC#N)OCC[NH+]1CCCCC1 ZINC001206709067 940080889 /nfs/dbraw/zinc/08/08/89/940080889.db2.gz BIEQIEFFXOCAKA-CQSZACIVSA-N 2 0 254.398 1.477 20 30 CDEDRP CCOC(=O)C1(C#N)CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207441128 940196802 /nfs/dbraw/zinc/19/68/02/940196802.db2.gz SMVDZCZIZQQDPJ-UHFFFAOYSA-N 2 0 279.384 1.155 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070192 940282681 /nfs/dbraw/zinc/28/26/81/940282681.db2.gz GBDRSIUMNUKFEV-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001208423482 940330468 /nfs/dbraw/zinc/33/04/68/940330468.db2.gz LMEUGQJQAXGKEZ-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001208414497 940330509 /nfs/dbraw/zinc/33/05/09/940330509.db2.gz RFBATQGOTQOROV-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208530198 940338324 /nfs/dbraw/zinc/33/83/24/940338324.db2.gz JLWVELLXTCWATI-RBSFLKMASA-N 2 0 279.428 1.032 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211350322 940748736 /nfs/dbraw/zinc/74/87/36/940748736.db2.gz QFJRNJHGWJRXPP-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C[C@H]([NH3+])C1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000402250960 940892105 /nfs/dbraw/zinc/89/21/05/940892105.db2.gz IUDMLWDTPQIIOF-LRDDRELGSA-N 2 0 273.380 1.651 20 30 CDEDRP C=CCOc1ccccc1[C@@H](C)NC(=O)C[NH2+]CCC[NH3+] ZINC001220663338 941462803 /nfs/dbraw/zinc/46/28/03/941462803.db2.gz CLOLFPIRNQYQOZ-CYBMUJFWSA-N 2 0 291.395 1.367 20 30 CDEDRP C=CC[C@@H](NC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2)c1ccccc1 ZINC001221361596 941521801 /nfs/dbraw/zinc/52/18/01/941521801.db2.gz XKKZNYJCRVGLIM-ANQUJSFKSA-N 2 0 285.391 1.642 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)C[NH+](CC)CC)CC1 ZINC001224911071 941805017 /nfs/dbraw/zinc/80/50/17/941805017.db2.gz IJIKEVUJHGBTNE-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001224947807 941809223 /nfs/dbraw/zinc/80/92/23/941809223.db2.gz SYIFHJLXRSGLFH-UHFFFAOYSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001277141205 942035051 /nfs/dbraw/zinc/03/50/51/942035051.db2.gz NIZNGSJMMODCKX-ZDUSSCGKSA-N 2 0 265.401 1.285 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001227877555 942240282 /nfs/dbraw/zinc/24/02/82/942240282.db2.gz TVYDUHYUSYOYSE-HNNXBMFYSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001316617929 942673950 /nfs/dbraw/zinc/67/39/50/942673950.db2.gz NTNXXLKXVQPMHR-OWCLPIDISA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC001263149307 943764342 /nfs/dbraw/zinc/76/43/42/943764342.db2.gz APVGITATJLRIPK-MELADBBJSA-N 2 0 267.417 1.646 20 30 CDEDRP CN(C)C(=O)C[N@H+]1CC[C@H]2C[NH+](CCCC#N)C[C@H]2CC1 ZINC001277943030 944147315 /nfs/dbraw/zinc/14/73/15/944147315.db2.gz KLRKVAQWPOWNIC-GASCZTMLSA-N 2 0 292.427 1.022 20 30 CDEDRP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](CCCC#N)CC2 ZINC001277945209 944155751 /nfs/dbraw/zinc/15/57/51/944155751.db2.gz QNMATXBBIVPTKB-UHFFFAOYSA-N 2 0 278.444 1.640 20 30 CDEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](CCCC[NH3+])C2 ZINC001235633560 944222328 /nfs/dbraw/zinc/22/23/28/944222328.db2.gz RDNCJADQMJRABY-GJZGRUSLSA-N 2 0 268.401 1.551 20 30 CDEDRP N#Cc1cc(-c2ccnc(C[NH3+])c2)cc(C2C[NH2+]C2)c1 ZINC001240350735 945800968 /nfs/dbraw/zinc/80/09/68/945800968.db2.gz IUANQNMDKQPJJS-UHFFFAOYSA-N 2 0 264.332 1.766 20 30 CDEDRP CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246019767 947900965 /nfs/dbraw/zinc/90/09/65/947900965.db2.gz HUNZDDKQUJKGJH-RBSFLKMASA-N 2 0 272.433 1.492 20 30 CDEDRP N#CC1CCC([NH2+]C2CN(C3CC[NH2+]CC3)C2)CC1 ZINC001246216478 948033043 /nfs/dbraw/zinc/03/30/43/948033043.db2.gz ZQSXKRDLXAKPAV-UHFFFAOYSA-N 2 0 262.401 1.095 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001252482681 951345495 /nfs/dbraw/zinc/34/54/95/951345495.db2.gz NHJHNSYAAIPPQP-OWCLPIDISA-N 2 0 284.444 1.508 20 30 CDEDRP C=C[C@H](O)C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001253581049 951971503 /nfs/dbraw/zinc/97/15/03/951971503.db2.gz GDSVCHLEHDEPAQ-GJZGRUSLSA-N 2 0 252.402 1.874 20 30 CDEDRP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001569146968 1169691689 /nfs/dbraw/zinc/69/16/89/1169691689.db2.gz OGRJZNNWGSORQV-ZIAGYGMSSA-N 2 0 267.417 1.032 20 30 CDEDRP COCCON=Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326696827 954499317 /nfs/dbraw/zinc/49/93/17/954499317.db2.gz DQQBPZBBWMQDGT-UHFFFAOYSA-N 2 0 295.358 1.574 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001421714593 955498478 /nfs/dbraw/zinc/49/84/78/955498478.db2.gz ZQCUTWQJPDLWPZ-LBPRGKRZSA-N 2 0 299.846 1.709 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001369271741 959597960 /nfs/dbraw/zinc/59/79/60/959597960.db2.gz CTLAGZNFZUMLNI-RYUDHWBXSA-N 2 0 275.824 1.516 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCC[N@@H+](CC)C1CC1 ZINC001340075633 962727392 /nfs/dbraw/zinc/72/73/92/962727392.db2.gz OLNRJPDHUYSIRU-ZDUSSCGKSA-N 2 0 253.390 1.271 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC001340180757 962790998 /nfs/dbraw/zinc/79/09/98/962790998.db2.gz FRLBDPCSJKEYOU-RKDXNWHRSA-N 2 0 267.295 1.066 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC001340180747 962796279 /nfs/dbraw/zinc/79/62/79/962796279.db2.gz FRLBDPCSJKEYOU-DTWKUNHWSA-N 2 0 267.295 1.066 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC001340180744 962796328 /nfs/dbraw/zinc/79/63/28/962796328.db2.gz FRLBDPCSJKEYOU-BDAKNGLRSA-N 2 0 267.295 1.066 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001420992633 963406595 /nfs/dbraw/zinc/40/65/95/963406595.db2.gz LSNCGJMNYVOZOE-UHFFFAOYSA-N 2 0 273.808 1.319 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1[C@H](C)C[NH2+][C@H](C)[C@H]1C ZINC001341764846 963535703 /nfs/dbraw/zinc/53/57/03/963535703.db2.gz KSDXHIWVKLXGGV-LPWJVIDDSA-N 2 0 253.390 1.267 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])C2CCCCC2)CC1 ZINC001349474909 966359594 /nfs/dbraw/zinc/35/95/94/966359594.db2.gz ZIYWQBDMIPZHRK-OAHLLOKOSA-N 2 0 279.428 1.661 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001100427712 968316370 /nfs/dbraw/zinc/31/63/70/968316370.db2.gz CWLQOARNPVOPLT-NRXISQOPSA-N 2 0 281.444 1.633 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCc1ccc(OCC[NH+](C)C)cc1 ZINC000848985623 969380160 /nfs/dbraw/zinc/38/01/60/969380160.db2.gz SKSNSOXFCWVDHD-UHFFFAOYSA-N 2 0 290.411 1.817 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC001521424229 970295456 /nfs/dbraw/zinc/29/54/56/970295456.db2.gz AYGXYGJIKOXDBU-KGLIPLIRSA-N 2 0 269.433 1.763 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001495810890 972647251 /nfs/dbraw/zinc/64/72/51/972647251.db2.gz ZCVCMBKUNZZBNH-JQWIXIFHSA-N 2 0 273.808 1.033 20 30 CDEDRP CC#CC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCCC1 ZINC001495943216 972713725 /nfs/dbraw/zinc/71/37/25/972713725.db2.gz DKHWYKCHEKVDTM-AWEZNQCLSA-N 2 0 279.428 1.369 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001498769770 974057947 /nfs/dbraw/zinc/05/79/47/974057947.db2.gz JYLLOSZJIGALEO-AWEZNQCLSA-N 2 0 299.846 1.708 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001393055715 977688380 /nfs/dbraw/zinc/68/83/80/977688380.db2.gz ZYXQWTXSIVBRAR-CHWSQXEVSA-N 2 0 285.819 1.414 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001133230778 1163610175 /nfs/dbraw/zinc/61/01/75/1163610175.db2.gz YKDWGVHPDHRHNO-CVEARBPZSA-N 2 0 293.455 1.426 20 30 CDEDRP N#Cc1cccc(C[NH+]2CCC(N[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000593324050 342788369 /nfs/dbraw/zinc/78/83/69/342788369.db2.gz XNUDLOIYUBRHBO-QGZVFWFLSA-N 2 0 284.407 1.474 20 30 CDEDRP C[NH+]=C(NCCc1csc(C)n1)NC[C@@H]1CC[N@H+](C)C1 ZINC000083737768 342378614 /nfs/dbraw/zinc/37/86/14/342378614.db2.gz IDAOXGLAWASATL-LBPRGKRZSA-N 2 0 295.456 1.111 20 30 CDEDRP CCN1CCC([N@H+](C)C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598596554 343841114 /nfs/dbraw/zinc/84/11/14/343841114.db2.gz SRWPKHGQASNXGD-CQSZACIVSA-N 2 0 267.417 1.703 20 30 CDEDRP C#CCNC(N[C@H]1CC[N@@H+](C2CCCC2)C1)=[NH+]CC ZINC000083513885 347122467 /nfs/dbraw/zinc/12/24/67/347122467.db2.gz AVQBNBZNWNZIJW-ZDUSSCGKSA-N 2 0 262.401 1.192 20 30 CDEDRP C[NH+](C)CCOc1ccc(CNC(=[NH2+])NC(C)(C)C)cc1 ZINC000264081622 362960435 /nfs/dbraw/zinc/96/04/35/362960435.db2.gz IPUVSRLOBKIRSL-UHFFFAOYSA-N 2 0 292.427 1.830 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(F)cc1F ZINC000264112052 362970131 /nfs/dbraw/zinc/97/01/31/362970131.db2.gz PAKIIOMXEYRIKM-ZDUSSCGKSA-N 2 0 296.365 1.853 20 30 CDEDRP C[N@@H+]1CC[C@@]2(CCN(Cc3ccnc(C#N)c3)C2)C1 ZINC000311579285 350695623 /nfs/dbraw/zinc/69/56/23/350695623.db2.gz WOLWCFGBZCPPNT-OAHLLOKOSA-N 2 0 256.353 1.481 20 30 CDEDRP CC(C)CNC(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179738315 357222798 /nfs/dbraw/zinc/22/27/98/357222798.db2.gz MCSWMNPSKYXYRI-UHFFFAOYSA-N 2 0 289.427 1.858 20 30 CDEDRP C[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)N1CC[NH+](C)CC1 ZINC000181703544 357375597 /nfs/dbraw/zinc/37/55/97/357375597.db2.gz YJUPLRCTEBEDCN-HUUCEWRRSA-N 2 0 286.423 1.845 20 30 CDEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CNCCO1)CC2 ZINC000570036852 359273891 /nfs/dbraw/zinc/27/38/91/359273891.db2.gz WJNKYASUKPTULF-DZGCQCFKSA-N 2 0 257.337 1.124 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C[C@@H](C[NH3+])OC)C(C)C ZINC000278336764 359579954 /nfs/dbraw/zinc/57/99/54/359579954.db2.gz XAUYXPVYNBAMRQ-GJZGRUSLSA-N 2 0 297.443 1.165 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1nccs1 ZINC000170909287 365159752 /nfs/dbraw/zinc/15/97/52/365159752.db2.gz YXAZJUNWBLAXRP-NSHDSACASA-N 2 0 281.429 1.074 20 30 CDEDRP CC(C)[NH+]1CCN([C@H]2CCN(CC3(C#N)CC3)C2)CC1 ZINC000538348636 368270387 /nfs/dbraw/zinc/27/03/87/368270387.db2.gz CATFNWCAWWYFBC-HNNXBMFYSA-N 2 0 276.428 1.390 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000569256535 371249517 /nfs/dbraw/zinc/24/95/17/371249517.db2.gz JDFLDTPXHQELFY-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP N#Cc1cccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000514793506 374109381 /nfs/dbraw/zinc/10/93/81/374109381.db2.gz XVBLVOWSUICTKV-INIZCTEOSA-N 2 0 285.391 1.746 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])CC1 ZINC000417527872 377840318 /nfs/dbraw/zinc/84/03/18/377840318.db2.gz OAFIPRXIMXURIN-ZFWWWQNUSA-N 2 0 294.443 1.406 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417521529 377818208 /nfs/dbraw/zinc/81/82/08/377818208.db2.gz FMEYGLCINLWATN-UKRRQHHQSA-N 2 0 294.443 1.454 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000417518293 377791301 /nfs/dbraw/zinc/79/13/01/377791301.db2.gz BCLBPINBANOYHO-HIFRSBDPSA-N 2 0 294.443 1.467 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Cl)nc1 ZINC000104160486 390486229 /nfs/dbraw/zinc/48/62/29/390486229.db2.gz XNLLYGZZMUZHLA-LBPRGKRZSA-N 2 0 295.818 1.624 20 30 CDEDRP CC[NH+]=C(NCc1ccoc1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261728404 391686437 /nfs/dbraw/zinc/68/64/37/391686437.db2.gz JDWGLNKQTMDNCJ-DOMZBBRYSA-N 2 0 290.411 1.817 20 30 CDEDRP C#CCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285856955 391721071 /nfs/dbraw/zinc/72/10/71/391721071.db2.gz IIMWYYPKKOTLMU-IBGZPJMESA-N 2 0 297.446 1.902 20 30 CDEDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442721843 391746349 /nfs/dbraw/zinc/74/63/49/391746349.db2.gz WAZBDIZHANWBED-QLFBSQMISA-N 2 0 264.417 1.294 20 30 CDEDRP C=CCNC(=[NH2+])NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058184935 391916160 /nfs/dbraw/zinc/91/61/60/391916160.db2.gz NMODIIPCQRNMIB-MRXNPFEDSA-N 2 0 286.423 1.989 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660659468 413344743 /nfs/dbraw/zinc/34/47/43/413344743.db2.gz PPHWVHLXGLEJHY-LSDHHAIUSA-N 2 0 252.402 1.731 20 30 CDEDRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000192828362 227302809 /nfs/dbraw/zinc/30/28/09/227302809.db2.gz CSVQVHIHVZHBAG-DLBZAZTESA-N 2 0 292.471 1.932 20 30 CDEDRP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])C1=O ZINC000652356034 424301557 /nfs/dbraw/zinc/30/15/57/424301557.db2.gz QPSILHLKMOGELR-MCIONIFRSA-N 2 0 265.401 1.223 20 30 CDEDRP CS[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H](SC)C2)C1 ZINC000560297447 327297117 /nfs/dbraw/zinc/29/71/17/327297117.db2.gz LURWTZSJTAUVAX-ZIAGYGMSSA-N 2 0 284.494 1.864 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[NH+](CC)CC)CC1 ZINC000171714575 329078777 /nfs/dbraw/zinc/07/87/77/329078777.db2.gz QOUDXFHFKZDNCP-UHFFFAOYSA-N 2 0 253.390 1.095 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[C@H]1C ZINC000262195403 330001706 /nfs/dbraw/zinc/00/17/06/330001706.db2.gz RNIXKPJIVPIBJO-MGPQQGTHSA-N 2 0 266.433 1.811 20 30 CDEDRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCSCC2)C1 ZINC000262392946 330012445 /nfs/dbraw/zinc/01/24/45/330012445.db2.gz MNCVNVKUBJPOMD-ZDUSSCGKSA-N 2 0 284.473 1.328 20 30 CDEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262562749 330021234 /nfs/dbraw/zinc/02/12/34/330021234.db2.gz WVEMVZLJFSGIKI-OCCSQVGLSA-N 2 0 288.395 1.366 20 30 CDEDRP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1CCCCC1 ZINC000424131736 330263926 /nfs/dbraw/zinc/26/39/26/330263926.db2.gz JQZRQDWXPGWEEC-CABCVRRESA-N 2 0 294.443 1.634 20 30 CDEDRP CC(C)[NH+](CCNC(=O)[C@@H]([NH3+])CCCC#N)C(C)C ZINC000424137241 330274630 /nfs/dbraw/zinc/27/46/30/330274630.db2.gz OQMUXGSCKAWFKH-ZDUSSCGKSA-N 2 0 268.405 1.243 20 30 CDEDRP C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C(C)(C)C[NH+](C)C ZINC000424145724 330291473 /nfs/dbraw/zinc/29/14/73/330291473.db2.gz OILXAGLXCCSZIS-NEPJUHHUSA-N 2 0 268.405 1.100 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001022973681 1159192909 /nfs/dbraw/zinc/19/29/09/1159192909.db2.gz UKYCTWAXOXHRAL-MELADBBJSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001755320831 1159832853 /nfs/dbraw/zinc/83/28/53/1159832853.db2.gz ZSJUDKBGDZEFCD-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[NH2+]C2CC2)CC1 ZINC000669465053 483173214 /nfs/dbraw/zinc/17/32/14/483173214.db2.gz QNQXPDMUPKEYCG-UHFFFAOYSA-N 2 0 280.416 1.078 20 30 CDEDRP COCC#CC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401372 483611019 /nfs/dbraw/zinc/61/10/19/483611019.db2.gz VZRFIFVVHAQPII-LSDHHAIUSA-N 2 0 264.413 1.879 20 30 CDEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC000992910199 1161131323 /nfs/dbraw/zinc/13/13/23/1161131323.db2.gz TYHQDJXMYJSAMG-BZUAXINKSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CCC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000982151972 612999725 /nfs/dbraw/zinc/99/97/25/612999725.db2.gz IVHRRMXLCTUBFR-UHFFFAOYSA-N 2 0 289.423 1.030 20 30 CDEDRP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000969145147 613000887 /nfs/dbraw/zinc/00/08/87/613000887.db2.gz ZCZAGBMDLMGTFM-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972484949 613082697 /nfs/dbraw/zinc/08/26/97/613082697.db2.gz HQIZTDOBRAHUDU-CVEARBPZSA-N 2 0 291.439 1.415 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000960580181 613279878 /nfs/dbraw/zinc/27/98/78/613279878.db2.gz OPFWCKKRWVIRTJ-XUWVNRHRSA-N 2 0 291.439 1.483 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944944624 613327747 /nfs/dbraw/zinc/32/77/47/613327747.db2.gz NQKXKOHMPAEKQY-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2CCCN2C)C(C)(C)C1 ZINC000972857557 613341701 /nfs/dbraw/zinc/34/17/01/613341701.db2.gz JCIWOOFSONDXRC-KGLIPLIRSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000969197462 613348073 /nfs/dbraw/zinc/34/80/73/613348073.db2.gz JIKPNHBNQPZZRW-CQSZACIVSA-N 2 0 277.412 1.381 20 30 CDEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000969969923 613483159 /nfs/dbraw/zinc/48/31/59/613483159.db2.gz QFBVDXRBVZSASC-UKRRQHHQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000970051972 613485412 /nfs/dbraw/zinc/48/54/12/613485412.db2.gz VFTHRGYNDQHBIO-AWEZNQCLSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH+]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000981369400 613688434 /nfs/dbraw/zinc/68/84/34/613688434.db2.gz KMLNQQNFIVDCRK-HNNXBMFYSA-N 2 0 279.428 1.581 20 30 CDEDRP C=CC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000974765826 613826342 /nfs/dbraw/zinc/82/63/42/613826342.db2.gz FGBRFRNPGBIONF-AWEZNQCLSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH+]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977473233 613827082 /nfs/dbraw/zinc/82/70/82/613827082.db2.gz WMUAQQYHPMKBOC-KGLIPLIRSA-N 2 0 279.428 1.341 20 30 CDEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000926202381 617512060 /nfs/dbraw/zinc/51/20/60/617512060.db2.gz KPBYFXMVQIMGRN-GJZGRUSLSA-N 2 0 280.460 1.930 20 30 CDEDRP CN(C)CC[NH+]1CCC(C[NH2+]CC#Cc2ccccc2)CC1 ZINC000892937903 617929272 /nfs/dbraw/zinc/92/92/72/617929272.db2.gz HTXGRSPRWONEIS-UHFFFAOYSA-N 2 0 299.462 1.901 20 30 CDEDRP COCCCO[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000795051364 619588617 /nfs/dbraw/zinc/58/86/17/619588617.db2.gz QJJKRTOIVXECAV-UHFFFAOYSA-N 2 0 291.395 1.825 20 30 CDEDRP C[N@@H+]1CCC[C@@H]1CNC(NC(C)(C)C)=[NH+]C1CC1 ZINC000912506028 630047693 /nfs/dbraw/zinc/04/76/93/630047693.db2.gz FWNRQNMVOVTVMX-GFCCVEGCSA-N 2 0 252.406 1.577 20 30 CDEDRP CCC[N@@H+]1CC[C@H](CNC(NC(C)(C)C)=[NH+]CCOC)C1 ZINC000912509728 630049465 /nfs/dbraw/zinc/04/94/65/630049465.db2.gz OIHBSOMZPRZLMH-CQSZACIVSA-N 2 0 298.475 1.698 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000912807474 630219012 /nfs/dbraw/zinc/21/90/12/630219012.db2.gz LAQMUJSIDOECLX-DZGCQCFKSA-N 2 0 281.444 1.683 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000913685883 630734818 /nfs/dbraw/zinc/73/48/18/630734818.db2.gz KOXZGVJNRZWTTK-IRXDYDNUSA-N 2 0 299.418 1.590 20 30 CDEDRP N#CC1(c2ccccc2)CCC([NH2+]C[C@H](O)C[NH3+])CC1 ZINC001170359878 1162340653 /nfs/dbraw/zinc/34/06/53/1162340653.db2.gz KSLSGOMDUKJYQX-HWOWSKLDSA-N 2 0 273.380 1.300 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N(CCC)CC[NH+]1CCCC1 ZINC000804441091 1162478075 /nfs/dbraw/zinc/47/80/75/1162478075.db2.gz AUYMRAQRUGJDIT-UHFFFAOYSA-N 2 0 267.417 1.439 20 30 CDEDRP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001754702324 1159433962 /nfs/dbraw/zinc/43/39/62/1159433962.db2.gz AAJNVSLQQABVOD-MRXNPFEDSA-N 2 0 281.444 1.733 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001753712610 1159892526 /nfs/dbraw/zinc/89/25/26/1159892526.db2.gz OCPREOXOHVQFJC-CQSZACIVSA-N 2 0 283.460 1.977 20 30 CDEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001005935388 1161541448 /nfs/dbraw/zinc/54/14/48/1161541448.db2.gz UYCPZITYPYBJDM-UHFFFAOYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(-n2nnnc2C[NH3+])cc1 ZINC001168923472 1161993118 /nfs/dbraw/zinc/99/31/18/1161993118.db2.gz KQILMKCWSJBRPC-AWEZNQCLSA-N 2 0 284.367 1.444 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132884627 1163500197 /nfs/dbraw/zinc/50/01/97/1163500197.db2.gz STYMRUKROWVZKU-GJZGRUSLSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132983791 1163526893 /nfs/dbraw/zinc/52/68/93/1163526893.db2.gz LJRZMAIPUUDXEF-UHFFFAOYSA-N 2 0 265.357 1.237 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001133262721 1163616799 /nfs/dbraw/zinc/61/67/99/1163616799.db2.gz LUFKJGCQPIKIHK-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001731433161 1182380098 /nfs/dbraw/zinc/38/00/98/1182380098.db2.gz HCFDEQRYGGOSIQ-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001733921946 1183568177 /nfs/dbraw/zinc/56/81/77/1183568177.db2.gz SQYDBDJKNYXULE-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001753001144 1184989415 /nfs/dbraw/zinc/98/94/15/1184989415.db2.gz XNWVARFLEBFJTQ-INIZCTEOSA-N 2 0 293.455 1.971 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001753040405 1185006329 /nfs/dbraw/zinc/00/63/29/1185006329.db2.gz XBDCTCIVEHBHCB-MRXNPFEDSA-N 2 0 291.439 1.466 20 30 CDEDRP C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001753295411 1185146556 /nfs/dbraw/zinc/14/65/56/1185146556.db2.gz QREKPFFJRXPCOU-OAHLLOKOSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001753418233 1185194911 /nfs/dbraw/zinc/19/49/11/1185194911.db2.gz WMYBZIRTJWQMAQ-INIZCTEOSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[NH2+][C@@H](CC)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001753478743 1185229299 /nfs/dbraw/zinc/22/92/99/1185229299.db2.gz VUCDXVCZMXKHEQ-LSDHHAIUSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001754675029 1185702953 /nfs/dbraw/zinc/70/29/53/1185702953.db2.gz HXQSGSFNRFCZQB-HIFRSBDPSA-N 2 0 267.417 1.483 20 30 CDEDRP CC#CC[NH2+]C1(CC)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001755074944 1185808421 /nfs/dbraw/zinc/80/84/21/1185808421.db2.gz RKMBULFOEBJLFA-UHFFFAOYSA-N 2 0 293.455 1.711 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001755604505 1186010036 /nfs/dbraw/zinc/01/00/36/1186010036.db2.gz XCOKVQIUHBVTDY-CABCVRRESA-N 2 0 281.444 1.731 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001155289045 1167115220 /nfs/dbraw/zinc/11/52/20/1167115220.db2.gz HQQBKWPAPPQGQY-KGLIPLIRSA-N 2 0 269.433 1.729 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001121900080 913208846 /nfs/dbraw/zinc/20/88/46/913208846.db2.gz AJCARQBANPSOHZ-LSDHHAIUSA-N 2 0 297.443 1.143 20 30 CDEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174950640 913413418 /nfs/dbraw/zinc/41/34/18/913413418.db2.gz XWDVAMHSDUNTMN-CQSZACIVSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001167235888 894927203 /nfs/dbraw/zinc/92/72/03/894927203.db2.gz BXHWGVGAPFZRGJ-HUUCEWRRSA-N 2 0 291.439 1.084 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001209953070 894942914 /nfs/dbraw/zinc/94/29/14/894942914.db2.gz SHVALRQREXSHAU-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001104291625 895428731 /nfs/dbraw/zinc/42/87/31/895428731.db2.gz QNRXCPKRJOCCRJ-BMFZPTHFSA-N 2 0 291.439 1.034 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001106674075 914123355 /nfs/dbraw/zinc/12/33/55/914123355.db2.gz QIIQXWRSSNAXPO-MCIONIFRSA-N 2 0 267.417 1.197 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167628368 897098570 /nfs/dbraw/zinc/09/85/70/897098570.db2.gz ZZUCUQPLVMBVAJ-AWEZNQCLSA-N 2 0 267.417 1.531 20 30 CDEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176565125 914180064 /nfs/dbraw/zinc/18/00/64/914180064.db2.gz SREIGGLPSFHEHD-HUUCEWRRSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC[C@H](C)F)CC1 ZINC001176926533 914358033 /nfs/dbraw/zinc/35/80/33/914358033.db2.gz OZHTZRPTGSWURG-AWEZNQCLSA-N 2 0 297.418 1.176 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267777388 899699549 /nfs/dbraw/zinc/69/95/49/899699549.db2.gz QOKPICPJGSIITG-UONOGXRCSA-N 2 0 267.417 1.435 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874291 914487548 /nfs/dbraw/zinc/48/75/48/914487548.db2.gz BBSHDVOMRRQSDC-BZUAXINKSA-N 2 0 293.455 1.588 20 30 CDEDRP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1CC ZINC001087578354 905707089 /nfs/dbraw/zinc/70/70/89/905707089.db2.gz PIXCMFKHMXWVAM-LVQVYYBASA-N 2 0 291.439 1.319 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1CC ZINC001087750132 905819694 /nfs/dbraw/zinc/81/96/94/905819694.db2.gz TXSCKIWVUFCYJM-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189054273 921262476 /nfs/dbraw/zinc/26/24/76/921262476.db2.gz BLQSTDPGJNKRRA-OWCLPIDISA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001088277446 906779105 /nfs/dbraw/zinc/77/91/05/906779105.db2.gz AIJJAGYBGAJJNT-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088571794 907990739 /nfs/dbraw/zinc/99/07/39/907990739.db2.gz NPHZSRZNZWLCLY-KBMXLJTQSA-N 2 0 291.439 1.483 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001088579627 908142212 /nfs/dbraw/zinc/14/22/12/908142212.db2.gz SVXNQPHDLCQCAC-FXUDXRNXSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@H]1C ZINC001088605622 908217375 /nfs/dbraw/zinc/21/73/75/908217375.db2.gz YPIHOHLSLBKHOK-QLFBSQMISA-N 2 0 279.428 1.626 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093195987 909682161 /nfs/dbraw/zinc/68/21/61/909682161.db2.gz ZBGHBVNBARBMKQ-QLFBSQMISA-N 2 0 279.428 1.198 20 30 CDEDRP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001089732166 915572799 /nfs/dbraw/zinc/57/27/99/915572799.db2.gz NUELWUOMNWCXKD-GJZGRUSLSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)C1CC[NH+](C)CC1 ZINC001179461109 915842343 /nfs/dbraw/zinc/84/23/43/915842343.db2.gz ALZAISZXAGWXBX-UHFFFAOYSA-N 2 0 293.455 1.618 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001179549538 915881402 /nfs/dbraw/zinc/88/14/02/915881402.db2.gz DEIOPZDBYBMSAL-GJZGRUSLSA-N 2 0 293.455 1.567 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001179587304 915887833 /nfs/dbraw/zinc/88/78/33/915887833.db2.gz YDGDLQALNLYQCZ-HNNXBMFYSA-N 2 0 279.428 1.228 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001179779846 915958473 /nfs/dbraw/zinc/95/84/73/915958473.db2.gz ZCWWLUJXZFKZIQ-HOTGVXAUSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001107027852 917832688 /nfs/dbraw/zinc/83/26/88/917832688.db2.gz DLJXLOIDQALNAM-HZPDHXFCSA-N 2 0 293.455 1.733 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001182589285 917979608 /nfs/dbraw/zinc/97/96/08/917979608.db2.gz BPRFSHXGPDZFTJ-OAHLLOKOSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001000933281 936544227 /nfs/dbraw/zinc/54/42/27/936544227.db2.gz INHZFBNCKVUBON-CQSZACIVSA-N 2 0 265.401 1.239 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184584677 919201776 /nfs/dbraw/zinc/20/17/76/919201776.db2.gz GEWVOEJOUNZXNB-CVEARBPZSA-N 2 0 289.423 1.075 20 30 CDEDRP Cc1ccc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)cc1C#N ZINC001205230536 919236942 /nfs/dbraw/zinc/23/69/42/919236942.db2.gz SLEXSLFVSBHSBN-MRXNPFEDSA-N 2 0 273.380 1.542 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001186428345 920027223 /nfs/dbraw/zinc/02/72/23/920027223.db2.gz PJJLSXPFJZWHER-HUUCEWRRSA-N 2 0 281.444 1.729 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001078809578 920469645 /nfs/dbraw/zinc/46/96/45/920469645.db2.gz JUZAKXYQXWJZNZ-GJZGRUSLSA-N 2 0 291.439 1.675 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190664838 922107908 /nfs/dbraw/zinc/10/79/08/922107908.db2.gz HCPJJGQBPDCDIM-HUUCEWRRSA-N 2 0 279.428 1.435 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033390307 922196667 /nfs/dbraw/zinc/19/66/67/922196667.db2.gz JIDUWOFGYHDGEP-OAHLLOKOSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001192342476 923015318 /nfs/dbraw/zinc/01/53/18/923015318.db2.gz FWTOFNHQCNCFCZ-LSDHHAIUSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC001168764342 924123537 /nfs/dbraw/zinc/12/35/37/924123537.db2.gz ZLDKVLPLZZREPF-UHFFFAOYSA-N 2 0 255.406 1.390 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085196931 924384406 /nfs/dbraw/zinc/38/44/06/924384406.db2.gz VDQDEDPJQNTOOI-OAGGEKHMSA-N 2 0 291.439 1.509 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001082612173 924964065 /nfs/dbraw/zinc/96/40/65/924964065.db2.gz ZMORXGHQQSBGJP-BZUAXINKSA-N 2 0 293.455 1.729 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001082741807 924990659 /nfs/dbraw/zinc/99/06/59/924990659.db2.gz DFTYQSMASKKTJK-OUCADQQQSA-N 2 0 299.846 1.517 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@]2(C)C1 ZINC001101443267 936972033 /nfs/dbraw/zinc/97/20/33/936972033.db2.gz BVCTXMOMJNUGRW-WBVHZDCISA-N 2 0 293.455 1.685 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001084406598 925252434 /nfs/dbraw/zinc/25/24/34/925252434.db2.gz UAFANYZNTCBQTR-KFWWJZLASA-N 2 0 277.412 1.045 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084629425 925312701 /nfs/dbraw/zinc/31/27/01/925312701.db2.gz XJEVBWIHHJNMGI-HUUCEWRRSA-N 2 0 277.412 1.047 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084905696 925487997 /nfs/dbraw/zinc/48/79/97/925487997.db2.gz JBJLYUKDAWAEPG-PMPSAXMXSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084903792 925488388 /nfs/dbraw/zinc/48/83/88/925488388.db2.gz QTJDYZNUYYRPPL-KFWWJZLASA-N 2 0 277.412 1.189 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCCC1 ZINC001120207782 925676560 /nfs/dbraw/zinc/67/65/60/925676560.db2.gz FUNXAVWOBUSKDQ-UHFFFAOYSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001085258083 925838104 /nfs/dbraw/zinc/83/81/04/925838104.db2.gz PMHXNXKXBCEFIM-HUUCEWRRSA-N 2 0 291.439 1.818 20 30 CDEDRP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015705 937036658 /nfs/dbraw/zinc/03/66/58/937036658.db2.gz OPFMTBGCOLRVNI-RBSFLKMASA-N 2 0 299.434 1.536 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001085394195 925930689 /nfs/dbraw/zinc/93/06/89/925930689.db2.gz YUBWTKATGGWHPI-BZUAXINKSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085589354 926196410 /nfs/dbraw/zinc/19/64/10/926196410.db2.gz JXYJNDHKOMIBPC-HZPDHXFCSA-N 2 0 293.455 1.968 20 30 CDEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520283 937062762 /nfs/dbraw/zinc/06/27/62/937062762.db2.gz DHFPBIUUCZEUHC-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CCC)[C@H](C)C1 ZINC001102522856 937063019 /nfs/dbraw/zinc/06/30/19/937063019.db2.gz GPJVUBXMWYMYPZ-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001085629600 926230388 /nfs/dbraw/zinc/23/03/88/926230388.db2.gz YBSHYPLWUNJAPI-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CC2CC2)CC1 ZINC001201952441 926438323 /nfs/dbraw/zinc/43/83/23/926438323.db2.gz PFRPMVPZYCESRJ-UHFFFAOYSA-N 2 0 263.429 1.688 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202330515 926537650 /nfs/dbraw/zinc/53/76/50/926537650.db2.gz HZACIJHCEUJXGO-UHFFFAOYSA-N 2 0 253.390 1.095 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001086402420 927079142 /nfs/dbraw/zinc/07/91/42/927079142.db2.gz SKENYTKSZQCNJF-RBSFLKMASA-N 2 0 279.428 1.531 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001111778032 937230715 /nfs/dbraw/zinc/23/07/15/937230715.db2.gz DQDRKOIKTVPNBU-YOEHRIQHSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855160815 928365039 /nfs/dbraw/zinc/36/50/39/928365039.db2.gz GJDQHOSYVYPLTB-CYBMUJFWSA-N 2 0 267.417 1.341 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CCC)C2 ZINC001108803156 928637423 /nfs/dbraw/zinc/63/74/23/928637423.db2.gz XMTYDEZLNNTSJV-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C[C@H](C)n1ccnc1 ZINC001134498368 929774552 /nfs/dbraw/zinc/77/45/52/929774552.db2.gz DOLBYAQXDFRWAQ-ZDUSSCGKSA-N 2 0 264.373 1.506 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583803 929797859 /nfs/dbraw/zinc/79/78/59/929797859.db2.gz ORTFRNKVSVKWFJ-KBPBESRZSA-N 2 0 281.444 1.920 20 30 CDEDRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001152439250 937361794 /nfs/dbraw/zinc/36/17/94/937361794.db2.gz GXAUXDSLFOHGNJ-UHFFFAOYSA-N 2 0 288.395 1.104 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135182236 930086358 /nfs/dbraw/zinc/08/63/58/930086358.db2.gz ZZVXYSIPOMPWGL-ZIAGYGMSSA-N 2 0 279.428 1.367 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135378892 930178647 /nfs/dbraw/zinc/17/86/47/930178647.db2.gz NHHFQIWYSHJJAF-VXGBXAGGSA-N 2 0 275.824 1.564 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001086734547 930212957 /nfs/dbraw/zinc/21/29/57/930212957.db2.gz KRCWTKYTGLGPSQ-ARFHVFGLSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCCCC1 ZINC001115582172 937396887 /nfs/dbraw/zinc/39/68/87/937396887.db2.gz NTBIKRLCCMKPGZ-HNNXBMFYSA-N 2 0 293.455 1.615 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614620 930298130 /nfs/dbraw/zinc/29/81/30/930298130.db2.gz XJOSGYJNMLKBDU-LSDHHAIUSA-N 2 0 293.455 1.615 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860655 930480075 /nfs/dbraw/zinc/48/00/75/930480075.db2.gz FXMTZRLPXOZSSD-KGLIPLIRSA-N 2 0 269.433 1.777 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135977248 930587116 /nfs/dbraw/zinc/58/71/16/930587116.db2.gz QSOUMCSUJIZTPU-HUUCEWRRSA-N 2 0 281.444 1.615 20 30 CDEDRP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCCC#N ZINC001274039745 931139549 /nfs/dbraw/zinc/13/95/49/931139549.db2.gz LYGGYQNLHHFQHU-MRXNPFEDSA-N 2 0 292.427 1.309 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](F)C[NH+](CC)CC ZINC001171060206 931468144 /nfs/dbraw/zinc/46/81/44/931468144.db2.gz IYIAQVWBFIRMOL-HUUCEWRRSA-N 2 0 299.434 1.564 20 30 CDEDRP C#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)cc1 ZINC001275132598 931673730 /nfs/dbraw/zinc/67/37/30/931673730.db2.gz YHUXFOFMMYDYEE-KDURUIRLSA-N 2 0 297.446 1.878 20 30 CDEDRP C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001171225000 932029888 /nfs/dbraw/zinc/02/98/88/932029888.db2.gz WNYKQXOTVRANGU-XYPHTWIQSA-N 2 0 269.392 1.983 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CC=C)C2)CC1 ZINC001091377291 932117601 /nfs/dbraw/zinc/11/76/01/932117601.db2.gz FOHFXGYZPBPPRF-UHFFFAOYSA-N 2 0 289.423 1.002 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]C(C)C)CC1 ZINC001146610917 932271396 /nfs/dbraw/zinc/27/13/96/932271396.db2.gz KUENXHUNSQLSQS-GJZGRUSLSA-N 2 0 293.455 1.613 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001154836989 937594000 /nfs/dbraw/zinc/59/40/00/937594000.db2.gz GWKPBAUTFJSQOC-CABCVRRESA-N 2 0 297.443 1.108 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263317 937655156 /nfs/dbraw/zinc/65/51/56/937655156.db2.gz QHNZLZNCEUBQMP-CQSZACIVSA-N 2 0 281.444 1.424 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001121696525 937880281 /nfs/dbraw/zinc/88/02/81/937880281.db2.gz WHGPORQCUIINNQ-UHFFFAOYSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001159910993 938759393 /nfs/dbraw/zinc/75/93/93/938759393.db2.gz VTMHJGJWEDRNPW-OAHLLOKOSA-N 2 0 279.428 1.675 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159997036 938764666 /nfs/dbraw/zinc/76/46/66/938764666.db2.gz BWQQYCGAZJJMPI-UHFFFAOYSA-N 2 0 253.390 1.143 20 30 CDEDRP COc1ccnc(NCCC[NH2+]CCCC[NH3+])c1C#N ZINC001162290104 938972103 /nfs/dbraw/zinc/97/21/03/938972103.db2.gz JGWSYXVEJQHJPJ-UHFFFAOYSA-N 2 0 277.372 1.092 20 30 CDEDRP CN1CCC(CNc2cc[nH+]c(CC#N)c2)([NH+](C)C)CC1 ZINC001164216913 939432107 /nfs/dbraw/zinc/43/21/07/939432107.db2.gz MIMCXDOXQUUAQR-UHFFFAOYSA-N 2 0 287.411 1.007 20 30 CDEDRP C=CC(NCC1C[NH+](Cc2ccccc2)C1)=[NH+]COC ZINC001165427668 939563138 /nfs/dbraw/zinc/56/31/38/939563138.db2.gz UYPDXOPGZAPZBI-UHFFFAOYSA-N 2 0 273.380 1.896 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166677844 939625916 /nfs/dbraw/zinc/62/59/16/939625916.db2.gz OGGOYERNJGLMMD-CQSZACIVSA-N 2 0 267.417 1.390 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203623529 939697403 /nfs/dbraw/zinc/69/74/03/939697403.db2.gz KKIWHSSCQFRCEV-GJZGRUSLSA-N 2 0 293.455 1.921 20 30 CDEDRP N#Cc1ccc2nc(C[NH+]3CCC(C[NH3+])CC3)cn2c1 ZINC001205052785 939818267 /nfs/dbraw/zinc/81/82/67/939818267.db2.gz DITHZXDXTZXPRY-UHFFFAOYSA-N 2 0 269.352 1.377 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001205335193 939882325 /nfs/dbraw/zinc/88/23/25/939882325.db2.gz VNESHTFHVWGHPN-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP N#Cc1ccc2[nH]cc(C[N@H+]3CCCC[C@](O)(C[NH3+])C3)c2c1 ZINC001205683068 939918517 /nfs/dbraw/zinc/91/85/17/939918517.db2.gz XIWMVSMPEITZHX-KRWDZBQOSA-N 2 0 298.390 1.715 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001206953535 940117479 /nfs/dbraw/zinc/11/74/79/940117479.db2.gz QBKCAHYZXPBRDA-UHFFFAOYSA-N 2 0 281.444 1.731 20 30 CDEDRP O=C1C=C2C[N@@H+](CC3CC[NH2+]CC3)CCC2S1 ZINC001207435917 940195452 /nfs/dbraw/zinc/19/54/52/940195452.db2.gz OBCDKZQABCTQJK-GFCCVEGCSA-N 2 0 252.383 1.260 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001208341360 940322066 /nfs/dbraw/zinc/32/20/66/940322066.db2.gz ZRUWNBGANWFPRR-AWEZNQCLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209324429 940460486 /nfs/dbraw/zinc/46/04/86/940460486.db2.gz QCDLYCUBHUXJOO-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209642713 940622164 /nfs/dbraw/zinc/62/21/64/940622164.db2.gz OGFHVWRBTQEIQA-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001210198715 940671201 /nfs/dbraw/zinc/67/12/01/940671201.db2.gz QKRSHKOMXLDPRG-CVEARBPZSA-N 2 0 293.455 1.567 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210790146 940713691 /nfs/dbraw/zinc/71/36/91/940713691.db2.gz VFNXSHWWVYTXSC-OAHLLOKOSA-N 2 0 279.428 1.322 20 30 CDEDRP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000402191821 940890811 /nfs/dbraw/zinc/89/08/11/940890811.db2.gz AZPJLPZNDWYYIY-GDBMZVCRSA-N 2 0 273.380 1.652 20 30 CDEDRP N#CCc1cccc(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001218988362 941298040 /nfs/dbraw/zinc/29/80/40/941298040.db2.gz UTNZMKALHZEHCT-HNNXBMFYSA-N 2 0 298.390 1.565 20 30 CDEDRP C#Cc1ccc(NC(=O)[C@H](CCCC[NH3+])[NH2+]C)cc1F ZINC001219384551 941337948 /nfs/dbraw/zinc/33/79/48/941337948.db2.gz SHDWKWKSPPRZDZ-AWEZNQCLSA-N 2 0 277.343 1.463 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC001220868337 941478767 /nfs/dbraw/zinc/47/87/67/941478767.db2.gz GOEFHLYUSMPPRO-MELADBBJSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]([NH3+])COC(C)(C)C ZINC001220868841 941479906 /nfs/dbraw/zinc/47/99/06/941479906.db2.gz WQDXONSXTMZFRG-KGLIPLIRSA-N 2 0 297.443 1.286 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)NC(C[NH3+])(CCC)CCC)C1 ZINC001221373416 941524496 /nfs/dbraw/zinc/52/44/96/941524496.db2.gz IIWHHFPABRKIAR-AWEZNQCLSA-N 2 0 267.417 1.709 20 30 CDEDRP N#Cc1cccc(CN2CCC(F)(C[NH3+])CC2)c1F ZINC001222552586 941613667 /nfs/dbraw/zinc/61/36/67/941613667.db2.gz GJVAQUPFBAAYHF-UHFFFAOYSA-N 2 0 265.307 1.960 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001225238196 941832300 /nfs/dbraw/zinc/83/23/00/941832300.db2.gz WUXXKKWPAKQGHR-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001227817124 942232091 /nfs/dbraw/zinc/23/20/91/942232091.db2.gz JSNIPABUESPVIO-MRXNPFEDSA-N 2 0 293.455 1.873 20 30 CDEDRP Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3c2cc[nH+]cc2)cc1C#N ZINC001277693504 943342006 /nfs/dbraw/zinc/34/20/06/943342006.db2.gz JNFJZBQQYZSJOS-CALCHBBNSA-N 2 0 293.374 1.755 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001263097226 943743480 /nfs/dbraw/zinc/74/34/80/943743480.db2.gz PLVSANKKVPGSCO-CYBMUJFWSA-N 2 0 267.417 1.613 20 30 CDEDRP C=CCCCCCC[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235050461 944023312 /nfs/dbraw/zinc/02/33/12/944023312.db2.gz DIRCEXTVLSRVJA-OAHLLOKOSA-N 2 0 251.418 1.760 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235590286 944213650 /nfs/dbraw/zinc/21/36/50/944213650.db2.gz YLJOEDZNLBWMJU-CABCVRRESA-N 2 0 279.428 1.129 20 30 CDEDRP C=CCC[N@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001265128454 944241631 /nfs/dbraw/zinc/24/16/31/944241631.db2.gz VNQCLECIGGUCLC-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP N#Cc1ccc(Br)cc1CN(CC[NH3+])CC[NH3+] ZINC001235877598 944305951 /nfs/dbraw/zinc/30/59/51/944305951.db2.gz OESRSBVDZGRQIV-UHFFFAOYSA-N 2 0 297.200 1.040 20 30 CDEDRP CC#CC[N@H+](CC)CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266102524 944683740 /nfs/dbraw/zinc/68/37/40/944683740.db2.gz BEVBAJVLAVPXBO-HNNXBMFYSA-N 2 0 281.444 1.424 20 30 CDEDRP C=CCC[C@@H](C)[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001258732743 945397636 /nfs/dbraw/zinc/39/76/36/945397636.db2.gz POMPSSXDEKHPOJ-CQSZACIVSA-N 2 0 267.417 1.437 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)[C@H]1CC[C@H](C#N)C1 ZINC001254671262 947587055 /nfs/dbraw/zinc/58/70/55/947587055.db2.gz QFJIPWTXEQSCED-HOTGVXAUSA-N 2 0 280.460 1.884 20 30 CDEDRP CCCCCCCC[C@@H](O)C[NH2+]CCCN1CC[NH2+]CC1 ZINC001245982320 947877494 /nfs/dbraw/zinc/87/74/94/947877494.db2.gz RICFIMQRZHNXNU-QGZVFWFLSA-N 2 0 299.503 1.983 20 30 CDEDRP C=CCOC1CCC([NH2+]C2CN(C3CC[NH2+]CC3)C2)CC1 ZINC001246218155 948033318 /nfs/dbraw/zinc/03/33/18/948033318.db2.gz MXOTVHSFJRYEPJ-UHFFFAOYSA-N 2 0 293.455 1.526 20 30 CDEDRP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246560758 948275535 /nfs/dbraw/zinc/27/55/35/948275535.db2.gz PLFDQQIBTQHOLX-YOEHRIQHSA-N 2 0 287.407 1.665 20 30 CDEDRP C[NH+]1CCC(C#N)(N[C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256909980 948452167 /nfs/dbraw/zinc/45/21/67/948452167.db2.gz VTYLKDWCSFPNQL-HNNXBMFYSA-N 2 0 290.455 1.971 20 30 CDEDRP C[NH+]1CC2(C1)CC[NH+](Cc1cnn3ccc(C#N)cc13)CC2 ZINC001249118568 949390544 /nfs/dbraw/zinc/39/05/44/949390544.db2.gz HFVVQDGFHBPLBP-UHFFFAOYSA-N 2 0 295.390 1.734 20 30 CDEDRP C=CCOC[C@H](O)C[N@H+](CCC)CCC[NH+](C)C ZINC001252473183 951325293 /nfs/dbraw/zinc/32/52/93/951325293.db2.gz IEKUHWWWTDTTMP-CQSZACIVSA-N 2 0 258.406 1.214 20 30 CDEDRP C=CCOC[C@H](O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001252473403 951328341 /nfs/dbraw/zinc/32/83/41/951328341.db2.gz KNBILQXHYDPLSM-OAHLLOKOSA-N 2 0 282.428 1.358 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001419695884 961977391 /nfs/dbraw/zinc/97/73/91/961977391.db2.gz CMSUPUFAGCYOCL-LBPRGKRZSA-N 2 0 287.835 1.517 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001340028202 962695424 /nfs/dbraw/zinc/69/54/24/962695424.db2.gz YWTFMKVWUGBZRB-KKUMJFAQSA-N 2 0 297.443 1.286 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC001341746712 963526898 /nfs/dbraw/zinc/52/68/98/963526898.db2.gz BAODSESFSIPMDY-AWEZNQCLSA-N 2 0 291.399 1.430 20 30 CDEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001100445714 968376397 /nfs/dbraw/zinc/37/63/97/968376397.db2.gz BESNLSWWXKCWRE-UYSNPLJNSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001403232091 976830393 /nfs/dbraw/zinc/83/03/93/976830393.db2.gz PDSLTIYBIWZCIT-CYBMUJFWSA-N 2 0 299.846 1.661 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)CCC ZINC001394536802 978196430 /nfs/dbraw/zinc/19/64/30/978196430.db2.gz FIJIXOLLBHUDTQ-LBPRGKRZSA-N 2 0 275.824 1.517 20 30 CDEDRP C#CCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001132435362 1163291621 /nfs/dbraw/zinc/29/16/21/1163291621.db2.gz CELAJQOIOYYYIQ-HZPDHXFCSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CCN1CC[C@@H]([NH+]2CCC3(CCC[C@@H]3C[NH3+])CC2)C1=O ZINC001574936960 1171055577 /nfs/dbraw/zinc/05/55/77/1171055577.db2.gz QGEHFJYVXGJUSH-HUUCEWRRSA-N 2 0 291.439 1.614 20 30 CDEDRP C=CCc1cc(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc(OC)c1O ZINC001574952269 1171059895 /nfs/dbraw/zinc/05/98/95/1171059895.db2.gz OQVRUCOVGFHEED-XBXGTLAGSA-N 2 0 276.380 1.956 20 30 CDEDRP COc1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)ccc1C#N ZINC000591281888 342624345 /nfs/dbraw/zinc/62/43/45/342624345.db2.gz RRIUAOWNNVAINB-OAHLLOKOSA-N 2 0 271.364 1.799 20 30 CDEDRP CC[NH+]1CCC(N2CCC[N@H+](CCCC#N)CC2)CC1 ZINC000595547460 343084135 /nfs/dbraw/zinc/08/41/35/343084135.db2.gz UDMHWYBBQIIZER-UHFFFAOYSA-N 2 0 278.444 1.782 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000595960001 343196404 /nfs/dbraw/zinc/19/64/04/343196404.db2.gz RMWXKYQXOPVZKK-MELADBBJSA-N 2 0 278.400 1.141 20 30 CDEDRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000595944673 343205344 /nfs/dbraw/zinc/20/53/44/343205344.db2.gz UVHBQCLTYODAGV-KGLIPLIRSA-N 2 0 280.416 1.244 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000596652382 343371426 /nfs/dbraw/zinc/37/14/26/343371426.db2.gz SYSJZBUZDKJKTA-LBPRGKRZSA-N 2 0 254.374 1.474 20 30 CDEDRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598596459 343841118 /nfs/dbraw/zinc/84/11/18/343841118.db2.gz RUWNOLLASFWXQT-CABCVRRESA-N 2 0 281.444 1.951 20 30 CDEDRP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598612049 343842093 /nfs/dbraw/zinc/84/20/93/343842093.db2.gz YJWUWMYNGDXLPV-KBPBESRZSA-N 2 0 267.417 1.703 20 30 CDEDRP C=CCn1cc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)nn1 ZINC000643902270 362296929 /nfs/dbraw/zinc/29/69/29/362296929.db2.gz VWBXQBFIFJELGQ-GFCCVEGCSA-N 2 0 263.389 1.284 20 30 CDEDRP C[C@@H](CCC#N)C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000602545116 344461769 /nfs/dbraw/zinc/46/17/69/344461769.db2.gz SUUQQOURHTXPDY-UONOGXRCSA-N 2 0 280.416 1.103 20 30 CDEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](C)CCC#N)CC1 ZINC000602683511 344529707 /nfs/dbraw/zinc/52/97/07/344529707.db2.gz ZVBFEUIEKCNEAJ-OAHLLOKOSA-N 2 0 280.460 1.932 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NCC[NH+](C)C)C(C)C ZINC000270650107 190757631 /nfs/dbraw/zinc/75/76/31/190757631.db2.gz LRWNWQZIJDCBLG-OAHLLOKOSA-N 2 0 296.459 1.546 20 30 CDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449548014 362756672 /nfs/dbraw/zinc/75/66/72/362756672.db2.gz KQUKFPLMCZDAEK-XQLPTFJDSA-N 2 0 250.386 1.936 20 30 CDEDRP CC#CC[C@H](CO)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000641768707 365834873 /nfs/dbraw/zinc/83/48/73/365834873.db2.gz GLGYIUBGGVCMRR-CGTJXYLNSA-N 2 0 286.419 1.871 20 30 CDEDRP CC#CC[C@@H](CO)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000641769000 365835831 /nfs/dbraw/zinc/83/58/31/365835831.db2.gz NQYLSXZTTGULCW-INIZCTEOSA-N 2 0 290.407 1.491 20 30 CDEDRP CCNC(=[NH2+])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000264080694 362960568 /nfs/dbraw/zinc/96/05/68/362960568.db2.gz IITSZNUFBKDJMB-UHFFFAOYSA-N 2 0 260.385 1.707 20 30 CDEDRP CC[C@@H](C)NC(=[NH2+])NCc1ccc(OCC[NH+](C)C)cc1 ZINC000264100163 362966684 /nfs/dbraw/zinc/96/66/84/362966684.db2.gz MNWPCQCSNXGDDW-CYBMUJFWSA-N 2 0 292.427 1.830 20 30 CDEDRP CCNC(=[NH2+])NC[C@H](c1ccc(F)cc1)N(C)C ZINC000264129805 362974332 /nfs/dbraw/zinc/97/43/32/362974332.db2.gz XPBHGMUTTVIRRK-GFCCVEGCSA-N 2 0 252.337 1.353 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000449324618 358349278 /nfs/dbraw/zinc/34/92/78/358349278.db2.gz GJQJCOCEOJEOID-BZUAXINKSA-N 2 0 293.455 1.657 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC000264976886 359318996 /nfs/dbraw/zinc/31/89/96/359318996.db2.gz IVFFICFPWRZKJT-HZPDHXFCSA-N 2 0 293.455 1.895 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000247241826 361044109 /nfs/dbraw/zinc/04/41/09/361044109.db2.gz DHKXCOZLBYPCMV-GOEBONIOSA-N 2 0 291.439 1.130 20 30 CDEDRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])Nc2ccccn2)C1 ZINC000170913355 365162168 /nfs/dbraw/zinc/16/21/68/365162168.db2.gz YXJWKZIRRWMMJA-GFCCVEGCSA-N 2 0 261.373 1.540 20 30 CDEDRP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000361465281 368832913 /nfs/dbraw/zinc/83/29/13/368832913.db2.gz VFYRASYJIYDNTP-MCIONIFRSA-N 2 0 251.374 1.115 20 30 CDEDRP C#CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)C1CCCC1 ZINC000155890949 371028033 /nfs/dbraw/zinc/02/80/33/371028033.db2.gz PKMHFVDYOMCUSD-UHFFFAOYSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000178114830 372161991 /nfs/dbraw/zinc/16/19/91/372161991.db2.gz PGHYRAXXOYESDY-ZDUSSCGKSA-N 2 0 253.390 1.093 20 30 CDEDRP CCN(CCC#N)C(=O)CN1CC[C@@H](C[N@H+](C)CC)C1 ZINC000072858475 376811665 /nfs/dbraw/zinc/81/16/65/376811665.db2.gz CVWAXNJYWLXZCB-AWEZNQCLSA-N 2 0 280.416 1.022 20 30 CDEDRP C=CCNC(=O)[C@H](C)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247969191 377189544 /nfs/dbraw/zinc/18/95/44/377189544.db2.gz HDAKHINXGPAVQI-IHRRRGAJSA-N 2 0 265.401 1.093 20 30 CDEDRP Cc1cc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)ccc1C#N ZINC000443984354 250069570 /nfs/dbraw/zinc/06/95/70/250069570.db2.gz ITAQWCVSDFLLAM-OAHLLOKOSA-N 2 0 286.423 1.592 20 30 CDEDRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174262961 379424280 /nfs/dbraw/zinc/42/42/80/379424280.db2.gz CTPNJYUYMXJLBJ-UHFFFAOYSA-N 2 0 276.384 1.267 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000117879264 390829703 /nfs/dbraw/zinc/82/97/03/390829703.db2.gz WPLPFTOMMBYOAG-UHFFFAOYSA-N 2 0 267.417 1.439 20 30 CDEDRP C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCN1C1CC[NH+](C)CC1 ZINC000339062190 391248485 /nfs/dbraw/zinc/24/84/85/391248485.db2.gz ZJHQDEGYGNTEJI-HLLBOEOZSA-N 2 0 290.455 1.779 20 30 CDEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976129 391372885 /nfs/dbraw/zinc/37/28/85/391372885.db2.gz KKHOCVCZNHQUJP-ZNMIVQPWSA-N 2 0 279.428 1.389 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCc2cccc(C[NH+]3CCCC3)c2)N1 ZINC000262627080 391801605 /nfs/dbraw/zinc/80/16/05/391801605.db2.gz DVCBUWBKIAFABA-CYBMUJFWSA-N 2 0 272.396 1.720 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCc2ccc(F)c(C[NH+](C)C)c2)N1 ZINC000262635667 391803996 /nfs/dbraw/zinc/80/39/96/391803996.db2.gz GQAPHNLNPMVLLZ-SNVBAGLBSA-N 2 0 264.348 1.325 20 30 CDEDRP C[C@@H]1C[NH+]=C(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)N1 ZINC000262687710 391812713 /nfs/dbraw/zinc/81/27/13/391812713.db2.gz YZGHDAPZSFCULE-GDBMZVCRSA-N 2 0 286.423 1.488 20 30 CDEDRP CC[NH+](CC)Cc1cccc(CNC2=[NH+]C[C@H](C)N2)c1 ZINC000262685083 391812928 /nfs/dbraw/zinc/81/29/28/391812928.db2.gz YCDHLYGBFBWYDI-ZDUSSCGKSA-N 2 0 274.412 1.966 20 30 CDEDRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000271851320 392637289 /nfs/dbraw/zinc/63/72/89/392637289.db2.gz IPWAJQPBVRSSPC-ZDUSSCGKSA-N 2 0 273.380 1.666 20 30 CDEDRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000423199549 397602406 /nfs/dbraw/zinc/60/24/06/397602406.db2.gz BYNFMCNJDGHMSQ-LBPRGKRZSA-N 2 0 276.359 1.253 20 30 CDEDRP C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cnc2n1CCC2 ZINC000657454559 414350651 /nfs/dbraw/zinc/35/06/51/414350651.db2.gz LZLGZDADZAHUNH-SWLSCSKDSA-N 2 0 261.369 1.900 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(F)c1 ZINC000264107439 262872604 /nfs/dbraw/zinc/87/26/04/262872604.db2.gz OCSIPXYQAZIQPD-CQSZACIVSA-N 2 0 278.375 1.714 20 30 CDEDRP CCC(N)=[NH+]OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000289432387 263110134 /nfs/dbraw/zinc/11/01/34/263110134.db2.gz SBQQJUJLZRKITL-HNNXBMFYSA-N 2 0 291.395 1.976 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1nccs1 ZINC000290427609 263116609 /nfs/dbraw/zinc/11/66/09/263116609.db2.gz ARGFSWLOOVYACD-LBPRGKRZSA-N 2 0 295.456 1.464 20 30 CDEDRP C=C(CC)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000341141305 263324328 /nfs/dbraw/zinc/32/43/28/263324328.db2.gz WDJSIXJYVBAEDS-UHFFFAOYSA-N 2 0 253.434 1.910 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H](C)C[NH3+])C(C)C ZINC000417067387 263779817 /nfs/dbraw/zinc/77/98/17/263779817.db2.gz RDTCSQFFIWROMM-LSDHHAIUSA-N 2 0 296.459 1.674 20 30 CDEDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)cn2)CC1 ZINC000559075226 327140024 /nfs/dbraw/zinc/14/00/24/327140024.db2.gz ADDCULGZCOUDBW-ZBFHGGJFSA-N 2 0 299.422 1.615 20 30 CDEDRP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001754326022 1159130024 /nfs/dbraw/zinc/13/00/24/1159130024.db2.gz BFQPPEUSCHEDBV-HOTGVXAUSA-N 2 0 293.455 1.709 20 30 CDEDRP CSC1(CNC(=[NH2+])N(C)C2CC2)CC[NH+](C)CC1 ZINC000262303855 330005154 /nfs/dbraw/zinc/00/51/54/330005154.db2.gz OFVAEOUAQHJFBE-UHFFFAOYSA-N 2 0 270.446 1.223 20 30 CDEDRP CN(C)C(=[NH+]CC1(C[NH+](C)C)CCCC1)N(C)C ZINC000262399699 330008022 /nfs/dbraw/zinc/00/80/22/330008022.db2.gz UQJMPOCFSHFMFI-UHFFFAOYSA-N 2 0 254.422 1.588 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(C#N)CCC1 ZINC000263175004 330047404 /nfs/dbraw/zinc/04/74/04/330047404.db2.gz SPHJFPFBPYBCTI-GFCCVEGCSA-N 2 0 263.389 1.069 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]([NH3+])C1CCC1)C(C)C ZINC000423325211 330195674 /nfs/dbraw/zinc/19/56/74/330195674.db2.gz BOZSEKZUFCMGDW-CVEARBPZSA-N 2 0 293.455 1.929 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000424071380 330220088 /nfs/dbraw/zinc/22/00/88/330220088.db2.gz BHBCOJHCSUFIHA-CQSZACIVSA-N 2 0 272.352 1.292 20 30 CDEDRP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424141263 330282481 /nfs/dbraw/zinc/28/24/81/330282481.db2.gz XAGTWVIMMLISIK-AWEZNQCLSA-N 2 0 280.416 1.339 20 30 CDEDRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424143371 330287081 /nfs/dbraw/zinc/28/70/81/330287081.db2.gz GCFKBHOYJPKJIW-MGPQQGTHSA-N 2 0 280.416 1.244 20 30 CDEDRP C[NH+](C)CCc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000424153218 330299879 /nfs/dbraw/zinc/29/98/79/330299879.db2.gz JTUHSJKLQYGYTI-OAHLLOKOSA-N 2 0 288.395 1.750 20 30 CDEDRP C#CCN1CCN(C(=O)C[N@@H+](C(CC)CC)C2CC2)CC1 ZINC000490838822 332118909 /nfs/dbraw/zinc/11/89/09/332118909.db2.gz DTMUHPVUGFNFHJ-UHFFFAOYSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000491808784 332361676 /nfs/dbraw/zinc/36/16/76/332361676.db2.gz FMUVTLPRSILYMT-UHFFFAOYSA-N 2 0 280.322 1.856 20 30 CDEDRP C=C(C)CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000681405930 482842117 /nfs/dbraw/zinc/84/21/17/482842117.db2.gz LWJZFYDEOCJINK-OAHLLOKOSA-N 2 0 251.418 1.664 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001752832918 1160612600 /nfs/dbraw/zinc/61/26/00/1160612600.db2.gz RYUOQQIIXHSFNM-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108756434 1162022618 /nfs/dbraw/zinc/02/26/18/1162022618.db2.gz JXTXFLYUDUQOLV-IHRRRGAJSA-N 2 0 299.846 1.660 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001113350993 1162161118 /nfs/dbraw/zinc/16/11/18/1162161118.db2.gz HJVCDEUENTXBCZ-CABCVRRESA-N 2 0 281.444 1.826 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000334910985 526587910 /nfs/dbraw/zinc/58/79/10/526587910.db2.gz QHNNLGDEZSFZRT-KBPBESRZSA-N 2 0 294.443 1.419 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000732139121 575081383 /nfs/dbraw/zinc/08/13/83/575081383.db2.gz LPTMHJFHTRLUFP-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC000743491498 576642791 /nfs/dbraw/zinc/64/27/91/576642791.db2.gz IOIKGYWTATWEPV-UHFFFAOYSA-N 2 0 279.428 1.322 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000970803047 612961982 /nfs/dbraw/zinc/96/19/82/612961982.db2.gz GABONNOAFUJSNQ-HZPDHXFCSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968192793 613015407 /nfs/dbraw/zinc/01/54/07/613015407.db2.gz SOKHUOPIQHIFDV-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+]C(C)C)C2)CC1 ZINC000962807443 613129968 /nfs/dbraw/zinc/12/99/68/613129968.db2.gz FZAMINQUFBZPKV-UHFFFAOYSA-N 2 0 291.439 1.224 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947723124 613225531 /nfs/dbraw/zinc/22/55/31/613225531.db2.gz RCYKHGDMYKRHEZ-LSDHHAIUSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982148518 613306008 /nfs/dbraw/zinc/30/60/08/613306008.db2.gz LMWOSRBIHVXWCA-HNNXBMFYSA-N 2 0 291.439 1.439 20 30 CDEDRP C=C(C)C[N@H+]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000981323993 613307777 /nfs/dbraw/zinc/30/77/77/613307777.db2.gz CZBJQSRUWLRLPM-UHFFFAOYSA-N 2 0 279.428 1.581 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC000978346254 613343757 /nfs/dbraw/zinc/34/37/57/613343757.db2.gz IKCOWBGPECMECJ-JONQDZQNSA-N 2 0 291.439 1.341 20 30 CDEDRP C=CCC[N@@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977503125 613553197 /nfs/dbraw/zinc/55/31/97/613553197.db2.gz UWWIVDLZTGAHLS-AWEZNQCLSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000972009469 613632817 /nfs/dbraw/zinc/63/28/17/613632817.db2.gz SCRGXIJVNCGUCM-HOTGVXAUSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000971831574 613638011 /nfs/dbraw/zinc/63/80/11/613638011.db2.gz CCVJLICKRGLKTK-HNNXBMFYSA-N 2 0 298.390 1.975 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000948779637 613700804 /nfs/dbraw/zinc/70/08/04/613700804.db2.gz QPNRUBPLMPPCFD-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947779238 613742587 /nfs/dbraw/zinc/74/25/87/613742587.db2.gz OEJSIYWNOWXZCA-GOEBONIOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967707662 613766321 /nfs/dbraw/zinc/76/63/21/613766321.db2.gz KSYVWXYSHLCBOY-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@H](C1CCCCC1)[NH+](C)C ZINC000104167694 617985266 /nfs/dbraw/zinc/98/52/66/617985266.db2.gz LZKFERLMHRIEBQ-GXTWGEPZSA-N 2 0 284.448 1.436 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000928655626 620394331 /nfs/dbraw/zinc/39/43/31/620394331.db2.gz UXFJLKNOLIJVBH-UHFFFAOYSA-N 2 0 299.418 1.576 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911739070 629459441 /nfs/dbraw/zinc/45/94/41/629459441.db2.gz PJERVSYRNGMWNH-KBPBESRZSA-N 2 0 269.433 1.872 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000911846660 629585966 /nfs/dbraw/zinc/58/59/66/629585966.db2.gz QAQPKJKZIJPCRF-LBPRGKRZSA-N 2 0 257.422 1.918 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000911883803 629611487 /nfs/dbraw/zinc/61/14/87/629611487.db2.gz ZYYPPLCXDXCODK-QLFBSQMISA-N 2 0 299.459 1.639 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCS[C@H](C(C)C)C1 ZINC000153775812 631863174 /nfs/dbraw/zinc/86/31/74/631863174.db2.gz SZCIYVUEDDNSQN-KBPBESRZSA-N 2 0 298.500 1.587 20 30 CDEDRP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049515638 677892181 /nfs/dbraw/zinc/89/21/81/677892181.db2.gz QVHUTPITFUVCDW-GJZGRUSLSA-N 2 0 289.423 1.169 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C#CC(C)C ZINC000825160595 677933873 /nfs/dbraw/zinc/93/38/73/677933873.db2.gz SUHZBVWFYWJRHK-MRXNPFEDSA-N 2 0 293.455 1.520 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001028661522 677936031 /nfs/dbraw/zinc/93/60/31/677936031.db2.gz LDIMPUZRTMONBI-CQSZACIVSA-N 2 0 296.374 1.409 20 30 CDEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001016544040 678040294 /nfs/dbraw/zinc/04/02/94/678040294.db2.gz SHMYBOVDSSVNHJ-LSDHHAIUSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001007615915 678013181 /nfs/dbraw/zinc/01/31/81/678013181.db2.gz BVKBVSXSXKOYBD-OAHLLOKOSA-N 2 0 291.439 1.629 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000852357625 678016468 /nfs/dbraw/zinc/01/64/68/678016468.db2.gz FHJGUSGXCKXLSO-AWEZNQCLSA-N 2 0 294.443 1.114 20 30 CDEDRP N#Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261802906 678024538 /nfs/dbraw/zinc/02/45/38/678024538.db2.gz ROOROAKHDBYONG-INIZCTEOSA-N 2 0 270.380 1.038 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001042095890 678119704 /nfs/dbraw/zinc/11/97/04/678119704.db2.gz RKEMVHYQWUGUJT-GDBMZVCRSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001044734459 678143268 /nfs/dbraw/zinc/14/32/68/678143268.db2.gz VMDQTVQDFNMYRC-HIFRSBDPSA-N 2 0 279.428 1.483 20 30 CDEDRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])N(C)C2CC2)C1 ZINC000305841684 678164799 /nfs/dbraw/zinc/16/47/99/678164799.db2.gz ZORYDQKBZNOJAZ-GFCCVEGCSA-N 2 0 266.433 1.906 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001003244654 678219330 /nfs/dbraw/zinc/21/93/30/678219330.db2.gz RQKUIKHFFSGXIA-UHFFFAOYSA-N 2 0 289.423 1.219 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001042314645 678189764 /nfs/dbraw/zinc/18/97/64/678189764.db2.gz UKHFPLZHGLIKDT-CABCVRRESA-N 2 0 289.423 1.191 20 30 CDEDRP C[C@H]1C[NH+]=C(NCCCCCCC[NH+]2CCCC2)N1 ZINC000848996980 677700072 /nfs/dbraw/zinc/70/00/72/677700072.db2.gz CPVJSSHNQKODNO-AWEZNQCLSA-N 2 0 266.433 1.970 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001019190842 677719222 /nfs/dbraw/zinc/71/92/22/677719222.db2.gz XDLYGPFXYXVWPQ-INIZCTEOSA-N 2 0 299.418 1.228 20 30 CDEDRP C#CCN1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000886209655 677730381 /nfs/dbraw/zinc/73/03/81/677730381.db2.gz RJYFUZHLCUHIJG-GJZGRUSLSA-N 2 0 263.429 1.546 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001003424607 677745234 /nfs/dbraw/zinc/74/52/34/677745234.db2.gz USIPGXVTXVCWEV-UHFFFAOYSA-N 2 0 291.439 1.465 20 30 CDEDRP N#Cc1ccc(NCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000925893194 677952251 /nfs/dbraw/zinc/95/22/51/677952251.db2.gz MVBCVADNHBWGFV-QLFBSQMISA-N 2 0 285.395 1.343 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001001413192 678050498 /nfs/dbraw/zinc/05/04/98/678050498.db2.gz KEWLLKLXDGXTMC-INIZCTEOSA-N 2 0 291.439 1.342 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2cncn2C)C[C@H]1C ZINC001036252779 678262678 /nfs/dbraw/zinc/26/26/78/678262678.db2.gz IUQATWXRRNDKFT-UKRRQHHQSA-N 2 0 290.411 1.365 20 30 CDEDRP CC[NH+]=C(NCC(C)(C)[NH+](C)C)N1CC[C@@]2(CCOC2)C1 ZINC000262010636 678293755 /nfs/dbraw/zinc/29/37/55/678293755.db2.gz WNRHHAQJFFQIFM-MRXNPFEDSA-N 2 0 296.459 1.405 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000986459385 678295504 /nfs/dbraw/zinc/29/55/04/678295504.db2.gz BSCCNPRWMGJGIQ-BBRMVZONSA-N 2 0 296.374 1.469 20 30 CDEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997837469 678368621 /nfs/dbraw/zinc/36/86/21/678368621.db2.gz UCDNXRTXAUSJPS-AWEZNQCLSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000993928238 678422247 /nfs/dbraw/zinc/42/22/47/678422247.db2.gz MKTULLXVTDKTJF-GDBMZVCRSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC)CC1 ZINC001029597017 678422943 /nfs/dbraw/zinc/42/29/43/678422943.db2.gz GUIUDJXKYONKIE-IYBDPMFKSA-N 2 0 289.423 1.027 20 30 CDEDRP C#CCN1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000886660652 678542335 /nfs/dbraw/zinc/54/23/35/678542335.db2.gz CANYRLDOKOIHHC-HNSVSWJLSA-N 2 0 261.413 1.299 20 30 CDEDRP CCC(CC)[C@@H](CNC(=[NH2+])N[C@H](C)COC)[NH+](C)C ZINC000303778939 678564485 /nfs/dbraw/zinc/56/44/85/678564485.db2.gz KDHQIHXNHUGXJT-DGCLKSJQSA-N 2 0 272.437 1.292 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001036131719 678566090 /nfs/dbraw/zinc/56/60/90/678566090.db2.gz LFJKUDXDPRDBSU-LSDHHAIUSA-N 2 0 291.439 1.321 20 30 CDEDRP CC(C)NC(=[NH2+])NCCCC[NH+]1CCC(C)CC1 ZINC000303882672 678571580 /nfs/dbraw/zinc/57/15/80/678571580.db2.gz IGKIYVKUYRGLIV-UHFFFAOYSA-N 2 0 254.422 1.811 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000837188971 678607095 /nfs/dbraw/zinc/60/70/95/678607095.db2.gz GMWCKZHAUVDWDY-CYBMUJFWSA-N 2 0 253.390 1.045 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001050524236 678618568 /nfs/dbraw/zinc/61/85/68/678618568.db2.gz XALSBUPEMCVCAM-HUUCEWRRSA-N 2 0 291.439 1.437 20 30 CDEDRP C[C@H](CNC(=[NH2+])NC(C)(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000262018648 678635783 /nfs/dbraw/zinc/63/57/83/678635783.db2.gz XATLOTFZANIRDO-NWDGAFQWSA-N 2 0 254.422 1.952 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001042314647 678655222 /nfs/dbraw/zinc/65/52/22/678655222.db2.gz UKHFPLZHGLIKDT-HUUCEWRRSA-N 2 0 289.423 1.191 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001023446098 678689402 /nfs/dbraw/zinc/68/94/02/678689402.db2.gz JYLGPOPWEJNOKB-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041785464 678823626 /nfs/dbraw/zinc/82/36/26/678823626.db2.gz ICCFWNKQIODOSR-NVXWUHKLSA-N 2 0 291.439 1.439 20 30 CDEDRP C#CC[N@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001028690464 678871555 /nfs/dbraw/zinc/87/15/55/678871555.db2.gz YKZUVNQTQOMPBS-CYBMUJFWSA-N 2 0 282.347 1.019 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879592576 678874692 /nfs/dbraw/zinc/87/46/92/678874692.db2.gz LXTJVIQPZULQPO-MRXNPFEDSA-N 2 0 281.444 1.025 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001001008224 678967654 /nfs/dbraw/zinc/96/76/54/678967654.db2.gz MRGDYOHWCKOFLP-HOTGVXAUSA-N 2 0 293.455 1.873 20 30 CDEDRP CCCCCCNC(=[NH2+])NC[C@H]1CC[N@H+](CC)C1 ZINC000303893708 678969099 /nfs/dbraw/zinc/96/90/99/678969099.db2.gz OJJIARAAWMSERY-CYBMUJFWSA-N 2 0 254.422 1.813 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001016541223 678985738 /nfs/dbraw/zinc/98/57/38/678985738.db2.gz XPBIMGHZCRDZIQ-KBPBESRZSA-N 2 0 277.412 1.237 20 30 CDEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001005590283 679020128 /nfs/dbraw/zinc/02/01/28/679020128.db2.gz XSGLXZZBGKTNNA-MRXNPFEDSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cncc3C)CC[C@H]21 ZINC001036773397 679029321 /nfs/dbraw/zinc/02/93/21/679029321.db2.gz MEFUVUOJESYMHR-HUUCEWRRSA-N 2 0 288.395 1.300 20 30 CDEDRP CC[C@@H](CNC(=[NH2+])N1CCC[C@H](C)C1)[NH+]1CCCC1 ZINC000303887012 679038895 /nfs/dbraw/zinc/03/88/95/679038895.db2.gz KQJVUAZCMFIBFO-KBPBESRZSA-N 2 0 266.433 1.907 20 30 CDEDRP C=CCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001038343398 679043460 /nfs/dbraw/zinc/04/34/60/679043460.db2.gz YYEXPVMHOXTQMV-CABCVRRESA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027884654 679082969 /nfs/dbraw/zinc/08/29/69/679082969.db2.gz NWZRGYRAVUNVSM-CABCVRRESA-N 2 0 277.412 1.095 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025520156 679156081 /nfs/dbraw/zinc/15/60/81/679156081.db2.gz BFXOFDKOURSALQ-GOEBONIOSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001045385794 679190080 /nfs/dbraw/zinc/19/00/80/679190080.db2.gz XPGIRMWIDJFCTA-AWEZNQCLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071795944 679195480 /nfs/dbraw/zinc/19/54/80/679195480.db2.gz OISJXWBRPDVZLA-HIFRSBDPSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001028660945 679353754 /nfs/dbraw/zinc/35/37/54/679353754.db2.gz CSLBCBFDAKFCQU-AWEZNQCLSA-N 2 0 298.390 1.962 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009203860 679359367 /nfs/dbraw/zinc/35/93/67/679359367.db2.gz SUTQSFCSUQEBEL-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH+]1CCC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001005993023 679425244 /nfs/dbraw/zinc/42/52/44/679425244.db2.gz XRQYKUZSEWXSDQ-HNNXBMFYSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001028538033 679425398 /nfs/dbraw/zinc/42/53/98/679425398.db2.gz XZXJMNFVBGRVDQ-HZPDHXFCSA-N 2 0 291.439 1.321 20 30 CDEDRP CC(C)CNC(=[NH2+])NCC[C@@H](C)[NH+]1CCCCC1 ZINC000305835748 679547309 /nfs/dbraw/zinc/54/73/09/679547309.db2.gz WPJSNCMCCHNVLC-CYBMUJFWSA-N 2 0 254.422 1.811 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009538153 679572934 /nfs/dbraw/zinc/57/29/34/679572934.db2.gz QNFFHURFALUGHX-CQSZACIVSA-N 2 0 265.401 1.239 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014404461 679575393 /nfs/dbraw/zinc/57/53/93/679575393.db2.gz CVAXDWHSGQZVHX-GJZGRUSLSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CCC[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1CCCO1 ZINC000883186458 679586244 /nfs/dbraw/zinc/58/62/44/679586244.db2.gz SJMYSTRMAZOUTF-YVSFHVDLSA-N 2 0 294.439 1.953 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041828438 679587630 /nfs/dbraw/zinc/58/76/30/679587630.db2.gz BHFVHPCNIRVCTN-DOTOQJQBSA-N 2 0 291.439 1.439 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001032313979 679613851 /nfs/dbraw/zinc/61/38/51/679613851.db2.gz QXIBXBLSTXHXBG-KKUMJFAQSA-N 2 0 277.412 1.332 20 30 CDEDRP C[C@H](CNC(=[NH2+])N(C)C1CC1)C[NH+]1CCCCC1 ZINC000305817496 679632740 /nfs/dbraw/zinc/63/27/40/679632740.db2.gz MWHNLABYTFXOGZ-GFCCVEGCSA-N 2 0 252.406 1.517 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000997307042 679646915 /nfs/dbraw/zinc/64/69/15/679646915.db2.gz MHBQZYNMNYQBCJ-UHFFFAOYSA-N 2 0 265.401 1.239 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027992996 679656500 /nfs/dbraw/zinc/65/65/00/679656500.db2.gz JFHUMAVXCVKKTB-HNNXBMFYSA-N 2 0 289.423 1.219 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435954 1162475009 /nfs/dbraw/zinc/47/50/09/1162475009.db2.gz KPKFQJXCTJSEME-OCCSQVGLSA-N 2 0 267.417 1.387 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129842260 1162499850 /nfs/dbraw/zinc/49/98/50/1162499850.db2.gz VGMXJQJQMOBWBP-AWEZNQCLSA-N 2 0 267.417 1.533 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001130658491 1162687096 /nfs/dbraw/zinc/68/70/96/1162687096.db2.gz AHXAMONUYCZVBV-UHFFFAOYSA-N 2 0 272.352 1.538 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196824 1162829774 /nfs/dbraw/zinc/82/97/74/1162829774.db2.gz ZOAGNGNRABCLAW-UHFFFAOYSA-N 2 0 299.378 1.553 20 30 CDEDRP C=CCC[NH2+]CCN(CC)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001754081122 1158740965 /nfs/dbraw/zinc/74/09/65/1158740965.db2.gz PPXOIMRZDZTJIS-CQSZACIVSA-N 2 0 267.417 1.342 20 30 CDEDRP C#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132105237 1163173575 /nfs/dbraw/zinc/17/35/75/1163173575.db2.gz DDBOLQSSGBMRRF-UONOGXRCSA-N 2 0 277.412 1.073 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)[C@@]1(c2ccccc2)C[C@H]([NH3+])C1 ZINC001574604341 1170996392 /nfs/dbraw/zinc/99/63/92/1170996392.db2.gz MRGWJEKOLONYOJ-SAABIXHNSA-N 2 0 299.418 1.117 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001574908076 1171046792 /nfs/dbraw/zinc/04/67/92/1171046792.db2.gz CITUGDNYXNLVOX-LSDHHAIUSA-N 2 0 297.443 1.287 20 30 CDEDRP C=CCO[C@H]1CC[N@@H+](CCC2([NH3+])CCOCC2)C1 ZINC001574942591 1171052956 /nfs/dbraw/zinc/05/29/56/1171052956.db2.gz CCIFBNMQHFFCBY-ZDUSSCGKSA-N 2 0 254.374 1.161 20 30 CDEDRP CC#CC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC001574963886 1171064816 /nfs/dbraw/zinc/06/48/16/1171064816.db2.gz ZICGXUGKAJDYNW-AWEZNQCLSA-N 2 0 293.436 1.379 20 30 CDEDRP C[C@H]1CC2(C[N@@H+]1Cc1cc(C#N)ccn1)CC[NH2+]CC2 ZINC001576637902 1171474649 /nfs/dbraw/zinc/47/46/49/1171474649.db2.gz KWCUWPUSKJTMKB-ZDUSSCGKSA-N 2 0 270.380 1.917 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC001662516672 1172556306 /nfs/dbraw/zinc/55/63/06/1172556306.db2.gz ODCJCNYNPJAYHR-AWEZNQCLSA-N 2 0 276.384 1.348 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001698729793 1175906356 /nfs/dbraw/zinc/90/63/56/1175906356.db2.gz UFIYNNSIVJLCKP-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001723408497 1178121203 /nfs/dbraw/zinc/12/12/03/1178121203.db2.gz XOONFDKGYNXJHF-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001717458881 1180680624 /nfs/dbraw/zinc/68/06/24/1180680624.db2.gz INJKBXDCWGQUNP-AWEZNQCLSA-N 2 0 283.460 1.977 20 30 CDEDRP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001722904285 1181490358 /nfs/dbraw/zinc/49/03/58/1181490358.db2.gz CAJPQIQAIHMHJR-KBPBESRZSA-N 2 0 269.433 1.585 20 30 CDEDRP CC#CC[N@H+](CC)CCCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001752229234 1184838725 /nfs/dbraw/zinc/83/87/25/1184838725.db2.gz JOBBUEMPOLTSPH-KRWDZBQOSA-N 2 0 291.439 1.324 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001752737588 1184903320 /nfs/dbraw/zinc/90/33/20/1184903320.db2.gz OWIKYOIXDMALIL-QLFBSQMISA-N 2 0 279.428 1.674 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001752897894 1184956050 /nfs/dbraw/zinc/95/60/50/1184956050.db2.gz JTKQMKPLEVRZBP-ZDUSSCGKSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CC[N@H+](CC)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001753084732 1185048156 /nfs/dbraw/zinc/04/81/56/1185048156.db2.gz BEKCGPNGZMSBTF-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001753242543 1185129798 /nfs/dbraw/zinc/12/97/98/1185129798.db2.gz SJWKDHWMRGGRMF-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP CCCCCCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001753414909 1185193073 /nfs/dbraw/zinc/19/30/73/1185193073.db2.gz LXAJJYHHKXZTEB-MRXNPFEDSA-N 2 0 295.471 1.957 20 30 CDEDRP CC#CC[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCCC1 ZINC001753748078 1185326882 /nfs/dbraw/zinc/32/68/82/1185326882.db2.gz GGKXCRFXZNICFI-INIZCTEOSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001753868472 1185374285 /nfs/dbraw/zinc/37/42/85/1185374285.db2.gz JHHKIKUWPPROGQ-CABCVRRESA-N 2 0 281.444 1.683 20 30 CDEDRP C#CC[NH2+]CC[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001754025220 1185430173 /nfs/dbraw/zinc/43/01/73/1185430173.db2.gz HDVPVMVAIOOPAI-CQSZACIVSA-N 2 0 287.407 1.479 20 30 CDEDRP CC#CC[NH2+]C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001754288970 1185553179 /nfs/dbraw/zinc/55/31/79/1185553179.db2.gz LSSXNKPXMWIOTC-AWEZNQCLSA-N 2 0 287.407 1.479 20 30 CDEDRP C#CCC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001754289670 1185553962 /nfs/dbraw/zinc/55/39/62/1185553962.db2.gz QBJYKSSMPHERER-AWEZNQCLSA-N 2 0 279.428 1.224 20 30 CDEDRP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001754808080 1185735801 /nfs/dbraw/zinc/73/58/01/1185735801.db2.gz XKMCPWMEPVEREC-HUUCEWRRSA-N 2 0 279.428 1.177 20 30 CDEDRP C=C(C)C[NH2+]CC1CC(NC(=O)Cc2ncc[nH]2)C1 ZINC001755219255 1185860472 /nfs/dbraw/zinc/86/04/72/1185860472.db2.gz KDGQGYAFJDXWEM-UHFFFAOYSA-N 2 0 262.357 1.013 20 30 CDEDRP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001755268752 1185883335 /nfs/dbraw/zinc/88/33/35/1185883335.db2.gz GZLZYHZHOWWXRN-CVEARBPZSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)Cc1cncn1C ZINC001755325426 1185918486 /nfs/dbraw/zinc/91/84/86/1185918486.db2.gz VXBOKGZOJSXSBS-CYBMUJFWSA-N 2 0 278.400 1.365 20 30 CDEDRP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001755478272 1185963810 /nfs/dbraw/zinc/96/38/10/1185963810.db2.gz WEEQIQSVVWAJQK-RBSFLKMASA-N 2 0 279.428 1.224 20 30 CDEDRP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001755568349 1185993793 /nfs/dbraw/zinc/99/37/93/1185993793.db2.gz IPOOMPCFHJCPKG-OAHLLOKOSA-N 2 0 291.439 1.485 20 30 CDEDRP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001755600956 1186008813 /nfs/dbraw/zinc/00/88/13/1186008813.db2.gz IAFKUFKSUBXUSA-KKUMJFAQSA-N 2 0 279.428 1.177 20 30 CDEDRP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])NCCC(C)C)C1 ZINC000303898650 1186580957 /nfs/dbraw/zinc/58/09/57/1186580957.db2.gz VORMCOHGKVFFAE-CYBMUJFWSA-N 2 0 254.422 1.669 20 30 CDEDRP C=CCCC[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273487926 1164359681 /nfs/dbraw/zinc/35/96/81/1164359681.db2.gz VUVFPRWUSJAZOZ-MRXNPFEDSA-N 2 0 279.428 1.581 20 30 CDEDRP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](CC)CC)C1 ZINC001111909529 1167008537 /nfs/dbraw/zinc/00/85/37/1167008537.db2.gz BOLPHOQGUFRIRH-RDJZCZTQSA-N 2 0 291.439 1.322 20 30 CDEDRP C[NH+](C)CCN1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173592454 912639701 /nfs/dbraw/zinc/63/97/01/912639701.db2.gz PCVXALQSXFRLHD-UHFFFAOYSA-N 2 0 278.444 1.638 20 30 CDEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175054690 913444829 /nfs/dbraw/zinc/44/48/29/913444829.db2.gz AVMFJIJXKKOFCI-HNNXBMFYSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001106198821 913586959 /nfs/dbraw/zinc/58/69/59/913586959.db2.gz PCKSCSISSBSFKL-RBSFLKMASA-N 2 0 299.434 1.536 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001208264762 894158298 /nfs/dbraw/zinc/15/82/98/894158298.db2.gz OATNTNJVEXHWRJ-UONOGXRCSA-N 2 0 285.407 1.433 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001208260909 894158695 /nfs/dbraw/zinc/15/86/95/894158695.db2.gz HLZPZTUBAJKSTG-GJZGRUSLSA-N 2 0 297.418 1.270 20 30 CDEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176565567 914179073 /nfs/dbraw/zinc/17/90/73/914179073.db2.gz WQSAKEWYFADIAK-KGLIPLIRSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CC[NH2+]CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708591249 897860159 /nfs/dbraw/zinc/86/01/59/897860159.db2.gz PAYDWPKNVPSYGO-NVXWUHKLSA-N 2 0 299.418 1.094 20 30 CDEDRP C=CCCCCCC[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235869025 914332830 /nfs/dbraw/zinc/33/28/30/914332830.db2.gz IKDBQPYEPORTNI-UHFFFAOYSA-N 2 0 282.476 1.207 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C/C=C/Cl)CC1 ZINC001176926638 914360323 /nfs/dbraw/zinc/36/03/23/914360323.db2.gz QYQWVLJKEMMVIQ-XVNBXDOJSA-N 2 0 297.830 1.180 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001203215156 902713473 /nfs/dbraw/zinc/71/34/73/902713473.db2.gz SGKPCYMHGSGUHA-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1CC ZINC001087578105 905706158 /nfs/dbraw/zinc/70/61/58/905706158.db2.gz AXUHTNJZHXLSSD-LVQVYYBASA-N 2 0 293.455 1.872 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1CC ZINC001087642599 905738159 /nfs/dbraw/zinc/73/81/59/905738159.db2.gz YFKSDVFSZCKNJG-JKSUJKDBSA-N 2 0 296.374 1.550 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1CC ZINC001087726739 905794181 /nfs/dbraw/zinc/79/41/81/905794181.db2.gz QJALTSKNGCAXGG-OWCLPIDISA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188969992 921245372 /nfs/dbraw/zinc/24/53/72/921245372.db2.gz CYYIVILLTARLHM-LSDHHAIUSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001088327644 906907276 /nfs/dbraw/zinc/90/72/76/906907276.db2.gz SODKEQIIGYXNNH-JKSUJKDBSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001168147522 907477577 /nfs/dbraw/zinc/47/75/77/907477577.db2.gz SNABBLPNPRUZPL-OAHLLOKOSA-N 2 0 293.455 1.780 20 30 CDEDRP C=CCN1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1=O ZINC001172114247 911289410 /nfs/dbraw/zinc/28/94/10/911289410.db2.gz MMICWSVZYDMOTR-JONQDZQNSA-N 2 0 291.439 1.768 20 30 CDEDRP CC(C)[NH+]1CCN(CC[NH2+][C@H](C)CCCC#N)CC1 ZINC001172483523 911687912 /nfs/dbraw/zinc/68/79/12/911687912.db2.gz RTJPFFYQYWCBOG-OAHLLOKOSA-N 2 0 266.433 1.684 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203359055 915768737 /nfs/dbraw/zinc/76/87/37/915768737.db2.gz NHXXDLKTULVROB-KBPBESRZSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001180369367 916316942 /nfs/dbraw/zinc/31/69/42/916316942.db2.gz AXZVZHMZNWAOPA-INIZCTEOSA-N 2 0 293.455 1.760 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001183045265 918270458 /nfs/dbraw/zinc/27/04/58/918270458.db2.gz XPFGQZDVCCSBOU-GDBMZVCRSA-N 2 0 277.412 1.049 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001183647785 918583864 /nfs/dbraw/zinc/58/38/64/918583864.db2.gz LHOMLRDEEMGAIV-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001183760374 918659468 /nfs/dbraw/zinc/65/94/68/918659468.db2.gz WQYNUANUQPTXIS-CQSZACIVSA-N 2 0 297.443 1.110 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052392557 936582449 /nfs/dbraw/zinc/58/24/49/936582449.db2.gz YZSCMKSDKKHIMC-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)n2ccnc2)C1 ZINC001185967890 919831897 /nfs/dbraw/zinc/83/18/97/919831897.db2.gz CXBVWDUWDLFIFM-HUUCEWRRSA-N 2 0 290.411 1.991 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001186074168 919858766 /nfs/dbraw/zinc/85/87/66/919858766.db2.gz BZUHFLPAJNZIDB-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001186428344 920027896 /nfs/dbraw/zinc/02/78/96/920027896.db2.gz PJJLSXPFJZWHER-CABCVRRESA-N 2 0 281.444 1.729 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186817451 920183940 /nfs/dbraw/zinc/18/39/40/920183940.db2.gz SDRXTNPUOWYLAP-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001110392655 920480475 /nfs/dbraw/zinc/48/04/75/920480475.db2.gz ZPOQJYVBKXNSMO-WCVJEAGWSA-N 2 0 291.439 1.768 20 30 CDEDRP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099529365 936790306 /nfs/dbraw/zinc/79/03/06/936790306.db2.gz OTQVTXQONZVVIT-JONQDZQNSA-N 2 0 291.439 1.293 20 30 CDEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194011297 924015442 /nfs/dbraw/zinc/01/54/42/924015442.db2.gz RGWULAQZHKQBJX-GJZGRUSLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197044749 925035239 /nfs/dbraw/zinc/03/52/39/925035239.db2.gz WEHCOYHNSXBQQC-HNNXBMFYSA-N 2 0 281.444 1.827 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085074849 925620256 /nfs/dbraw/zinc/62/02/56/925620256.db2.gz FWDSYZWSDIPJMP-XHSDSOJGSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085092834 925647822 /nfs/dbraw/zinc/64/78/22/925647822.db2.gz RTRAXMINFSBQTP-OAGGEKHMSA-N 2 0 291.439 1.437 20 30 CDEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)CCc2ncc[nH]2)[C@H](C)C1 ZINC001101927686 937028256 /nfs/dbraw/zinc/02/82/56/937028256.db2.gz MBQVKPSZWJDJER-ZIAGYGMSSA-N 2 0 288.395 1.050 20 30 CDEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102071192 937040579 /nfs/dbraw/zinc/04/05/79/937040579.db2.gz HBGZYHVJEMJSEQ-OAGGEKHMSA-N 2 0 293.455 1.280 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320743 937052116 /nfs/dbraw/zinc/05/21/16/937052116.db2.gz QWQRTSJWIBDRGG-ZIAGYGMSSA-N 2 0 267.417 1.198 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001201267387 926248512 /nfs/dbraw/zinc/24/85/12/926248512.db2.gz NKTYNIBVGPNYFR-OAHLLOKOSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201277295 926252541 /nfs/dbraw/zinc/25/25/41/926252541.db2.gz POKRAOLDSXTEDK-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001201320851 926263994 /nfs/dbraw/zinc/26/39/94/926263994.db2.gz ACCVUGDNQVSZAZ-UHFFFAOYSA-N 2 0 267.417 1.483 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001103755863 937153858 /nfs/dbraw/zinc/15/38/58/937153858.db2.gz QXDNCLAWQXPFDY-HZPDHXFCSA-N 2 0 295.471 1.977 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169127630 927739748 /nfs/dbraw/zinc/73/97/48/927739748.db2.gz SFLLTBADHZGZKL-UHFFFAOYSA-N 2 0 287.835 1.567 20 30 CDEDRP CC[NH+]1CCC(NC(=[NH2+])c2ccc(C#N)cc2)CC1 ZINC001169224702 927822006 /nfs/dbraw/zinc/82/20/06/927822006.db2.gz LPZSMLAYNPQARP-UHFFFAOYSA-N 2 0 256.353 1.748 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001109734555 929020567 /nfs/dbraw/zinc/02/05/67/929020567.db2.gz RQVSJVSZQCPXCZ-QPSCCSFWSA-N 2 0 277.412 1.071 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001086558812 929439096 /nfs/dbraw/zinc/43/90/96/929439096.db2.gz SQSHJFIGQUBFDA-RBSFLKMASA-N 2 0 279.428 1.531 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001170756017 929780718 /nfs/dbraw/zinc/78/07/18/929780718.db2.gz LPYLOTBSUFWZSW-UHFFFAOYSA-N 2 0 293.455 1.780 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135316370 930150578 /nfs/dbraw/zinc/15/05/78/930150578.db2.gz VDXQPZQZDNUNIH-KBPBESRZSA-N 2 0 267.417 1.224 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001154123255 937506162 /nfs/dbraw/zinc/50/61/62/937506162.db2.gz RAQJHZQUGKODQD-HZPDHXFCSA-N 2 0 293.455 1.567 20 30 CDEDRP C#Cc1ccc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)cc1 ZINC001275132209 931674346 /nfs/dbraw/zinc/67/43/46/931674346.db2.gz NYLVBDYHVLVAOG-UHFFFAOYSA-N 2 0 283.419 1.347 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171225937 932035921 /nfs/dbraw/zinc/03/59/21/932035921.db2.gz BQTRAPZHNFHNJD-HUUCEWRRSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146701720 932278480 /nfs/dbraw/zinc/27/84/80/932278480.db2.gz OPQHOOQMRCAKNJ-HOTGVXAUSA-N 2 0 293.455 1.759 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154887719 937599932 /nfs/dbraw/zinc/59/99/32/937599932.db2.gz FCZWUGLBEBPMPC-CYBMUJFWSA-N 2 0 291.395 1.415 20 30 CDEDRP C#CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001148292910 932693130 /nfs/dbraw/zinc/69/31/30/932693130.db2.gz ZTJMIQCHJSHDGG-UHFFFAOYSA-N 2 0 291.439 1.132 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)CC[N@@H+](C)CCC ZINC001148573205 932747866 /nfs/dbraw/zinc/74/78/66/932747866.db2.gz RAPYLSWXEFQOST-UHFFFAOYSA-N 2 0 255.406 1.390 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001155283726 937656554 /nfs/dbraw/zinc/65/65/54/937656554.db2.gz XRMGBRVWGKDHGR-OLZOCXBDSA-N 2 0 255.406 1.339 20 30 CDEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980175 933301102 /nfs/dbraw/zinc/30/11/02/933301102.db2.gz TUQHAILZHJZUDJ-KFWWJZLASA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001114794561 934970005 /nfs/dbraw/zinc/97/00/05/934970005.db2.gz LCIWYBGWKLKHSZ-FXUDXRNXSA-N 2 0 293.455 1.585 20 30 CDEDRP [NH3+]C1CCN(c2cccc(NCCCS)[nH+]2)CC1 ZINC001159869670 938758004 /nfs/dbraw/zinc/75/80/04/938758004.db2.gz OZRVUVHCTYXUQB-UHFFFAOYSA-N 2 0 266.414 1.741 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161873015 938938487 /nfs/dbraw/zinc/93/84/87/938938487.db2.gz SMTOHJMWCJEDLJ-UHFFFAOYSA-N 2 0 272.352 1.620 20 30 CDEDRP N#CCc1cnc(NCCC[NH2+]CCCC[NH3+])c(Cl)c1 ZINC001162294539 938972690 /nfs/dbraw/zinc/97/26/90/938972690.db2.gz KYHAAYQUJYYJBQ-UHFFFAOYSA-N 2 0 295.818 1.932 20 30 CDEDRP C[N@@H+]1CCC[C@](C)(Nc2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001162330169 939025937 /nfs/dbraw/zinc/02/59/37/939025937.db2.gz ASMMMXHTHAYJAY-KRWDZBQOSA-N 2 0 299.422 1.885 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001162617345 939103328 /nfs/dbraw/zinc/10/33/28/939103328.db2.gz HDJHSQSKTCYUFA-UHFFFAOYSA-N 2 0 270.336 1.067 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001162617805 939103835 /nfs/dbraw/zinc/10/38/35/939103835.db2.gz SZNZEPPHNVTZNF-UHFFFAOYSA-N 2 0 272.352 1.620 20 30 CDEDRP N#CCc1cc(NCc2ccc3c(c2)CC[NH2+]C3)cc[nH+]1 ZINC001162814727 939149519 /nfs/dbraw/zinc/14/95/19/939149519.db2.gz CHLNMHLRQAEMNX-UHFFFAOYSA-N 2 0 278.359 1.827 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001163267784 939236573 /nfs/dbraw/zinc/23/65/73/939236573.db2.gz LQYYWUUDRCSSLK-UHFFFAOYSA-N 2 0 281.444 1.923 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001165981252 939589220 /nfs/dbraw/zinc/58/92/20/939589220.db2.gz WESBACJACHHSDK-UHFFFAOYSA-N 2 0 289.423 1.124 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001166432837 939608531 /nfs/dbraw/zinc/60/85/31/939608531.db2.gz PGANXDUPFPZGTI-CQSZACIVSA-N 2 0 269.433 1.779 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203793336 939704455 /nfs/dbraw/zinc/70/44/55/939704455.db2.gz SBBJWYKXICIOQQ-HUUCEWRRSA-N 2 0 293.455 1.920 20 30 CDEDRP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203793746 939704805 /nfs/dbraw/zinc/70/48/05/939704805.db2.gz TVQLFMNWGRYJTJ-HUUCEWRRSA-N 2 0 291.439 1.367 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001203876417 939710264 /nfs/dbraw/zinc/71/02/64/939710264.db2.gz JMGDEKVPZCMTNH-UHFFFAOYSA-N 2 0 291.439 1.466 20 30 CDEDRP N#Cc1cccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1F ZINC001205257478 939843206 /nfs/dbraw/zinc/84/32/06/939843206.db2.gz VTSXTLLBFAGRPZ-HNNXBMFYSA-N 2 0 277.343 1.373 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001205625502 939909877 /nfs/dbraw/zinc/90/98/77/939909877.db2.gz RTFPPDXRIVCIGK-UHFFFAOYSA-N 2 0 296.374 1.409 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001208278784 940314149 /nfs/dbraw/zinc/31/41/49/940314149.db2.gz AIOVRGIDBRVYSS-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001209642475 940622294 /nfs/dbraw/zinc/62/22/94/940622294.db2.gz NPVLJDPIRYEMDI-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001210521687 940696242 /nfs/dbraw/zinc/69/62/42/940696242.db2.gz OCOMXGYUAVTAQB-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001211257004 940742546 /nfs/dbraw/zinc/74/25/46/940742546.db2.gz OAFMBFCYGQLYIG-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214754763 940838363 /nfs/dbraw/zinc/83/83/63/940838363.db2.gz GIVTVCUTFLTTGP-QLFBSQMISA-N 2 0 299.434 1.679 20 30 CDEDRP N#Cc1c[nH]c2cc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])ccc12 ZINC001219044914 941303052 /nfs/dbraw/zinc/30/30/52/941303052.db2.gz QMHSKUJGAYNCPE-ZDUSSCGKSA-N 2 0 285.351 1.434 20 30 CDEDRP C#CC[C@]1(C(=O)N[C@@H]2C[NH2+]Cc3ccsc32)CCC[NH2+]1 ZINC001219826200 941389638 /nfs/dbraw/zinc/38/96/38/941389638.db2.gz PMBKNKYMAYTJID-IUODEOHRSA-N 2 0 289.404 1.154 20 30 CDEDRP C#CCN1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001221810010 941552682 /nfs/dbraw/zinc/55/26/82/941552682.db2.gz BDSWMUXFWFJVNC-BZUAXINKSA-N 2 0 291.439 1.273 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222050298 941559465 /nfs/dbraw/zinc/55/94/65/941559465.db2.gz ZYHRTCXRPWXZML-ZIAGYGMSSA-N 2 0 265.401 1.045 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001224402448 941749202 /nfs/dbraw/zinc/74/92/02/941749202.db2.gz HTABZYREWNVFMU-MRXNPFEDSA-N 2 0 293.455 1.424 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001225346089 941846846 /nfs/dbraw/zinc/84/68/46/941846846.db2.gz IPHSCWGNPYBVOW-RBSFLKMASA-N 2 0 277.412 1.121 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001226783111 942069423 /nfs/dbraw/zinc/06/94/23/942069423.db2.gz UDEWHHANVFUJKP-ZIAGYGMSSA-N 2 0 277.412 1.121 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229008684 942406741 /nfs/dbraw/zinc/40/67/41/942406741.db2.gz UJEPZZAIILCWQG-UHFFFAOYSA-N 2 0 253.390 1.095 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001229655892 942505820 /nfs/dbraw/zinc/50/58/20/942505820.db2.gz SLMLQSDWABWGKP-INIZCTEOSA-N 2 0 293.455 1.567 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001230101729 942583902 /nfs/dbraw/zinc/58/39/02/942583902.db2.gz ZVPWZHRAMHCTEV-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001230257571 942596368 /nfs/dbraw/zinc/59/63/68/942596368.db2.gz VYAFZWXLVOZJJQ-HZPDHXFCSA-N 2 0 291.439 1.513 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230262897 942597550 /nfs/dbraw/zinc/59/75/50/942597550.db2.gz XIWRBLNTIRHTAO-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C#Cc1cccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001231656507 942963096 /nfs/dbraw/zinc/96/30/96/942963096.db2.gz AEDIPQJGUMDYMD-RBUKOAKNSA-N 2 0 297.446 1.878 20 30 CDEDRP C[NH+]1CCC2(CC[N@H+](Cc3cc(C#N)ccn3)C2)CC1 ZINC001232479630 943292525 /nfs/dbraw/zinc/29/25/25/943292525.db2.gz UQANXYLSSVIHIH-UHFFFAOYSA-N 2 0 270.380 1.871 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235319992 944118758 /nfs/dbraw/zinc/11/87/58/944118758.db2.gz LQOBYMOTJCAQIC-HNNXBMFYSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCOC[C@H](O)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246022837 947904332 /nfs/dbraw/zinc/90/43/32/947904332.db2.gz PGJASVGAXVQJFV-ZIAGYGMSSA-N 2 0 256.390 1.001 20 30 CDEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCC[NH2+]CCCC[NH3+] ZINC001246457188 948183194 /nfs/dbraw/zinc/18/31/94/948183194.db2.gz OIWDBFBKXRXJQE-HNNXBMFYSA-N 3 0 288.439 1.797 20 30 CDEDRP Cc1ccc(C(=[NH2+])N[C@H]2CCNC3(C[NH2+]C3)C2)cc1C ZINC001246481730 948199359 /nfs/dbraw/zinc/19/93/59/948199359.db2.gz CIFOKHRTXVDCEV-AWEZNQCLSA-N 2 0 272.396 1.103 20 30 CDEDRP C=CCOC1CCC([N@@H+]2CCCC[C@](O)(C[NH3+])C2)CC1 ZINC001246561688 948280183 /nfs/dbraw/zinc/28/01/83/948280183.db2.gz SBZZYCRYLLQLGA-GPANFISMSA-N 2 0 282.428 1.676 20 30 CDEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246597835 948335005 /nfs/dbraw/zinc/33/50/05/948335005.db2.gz WVCQIGALMSYSRU-HNNXBMFYSA-N 2 0 298.434 1.517 20 30 CDEDRP CC[C@@H](CC#N)[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256686968 948396578 /nfs/dbraw/zinc/39/65/78/948396578.db2.gz YADMDMRAFFSAII-NFOMZHRRSA-N 2 0 265.401 1.912 20 30 CDEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246766732 948430917 /nfs/dbraw/zinc/43/09/17/948430917.db2.gz LBRAIURGEJHGAO-NCOADZHNSA-N 2 0 294.439 1.953 20 30 CDEDRP C=CCOC[C@H](O)C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001252467567 951313931 /nfs/dbraw/zinc/31/39/31/951313931.db2.gz FXNXUYIZMFVIEX-QGZVFWFLSA-N 2 0 296.455 1.604 20 30 CDEDRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001253405136 951887386 /nfs/dbraw/zinc/88/73/86/951887386.db2.gz PZBRVUVFRUKUEQ-AVGNSLFASA-N 2 0 253.390 1.407 20 30 CDEDRP C=C[C@@H](O)C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001253567217 951957554 /nfs/dbraw/zinc/95/75/54/951957554.db2.gz LQSGXPRHYMMZNV-MRXNPFEDSA-N 2 0 282.428 1.358 20 30 CDEDRP CN(C(=O)CC[NH2+]CC#CC[NH+](C)C)c1ccccc1 ZINC001336771615 960568168 /nfs/dbraw/zinc/56/81/68/960568168.db2.gz TVECKCFWQDOAAG-UHFFFAOYSA-N 2 0 273.380 1.194 20 30 CDEDRP C[N@@H+]1CCCC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC001336810912 960615607 /nfs/dbraw/zinc/61/56/07/960615607.db2.gz KZGAGCGGSUFEEW-KGLIPLIRSA-N 2 0 267.417 1.609 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001437399692 962863223 /nfs/dbraw/zinc/86/32/23/962863223.db2.gz DMMQWSLAOUOFBE-LBPRGKRZSA-N 2 0 287.835 1.565 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)CC(C)C ZINC001340952393 963209482 /nfs/dbraw/zinc/20/94/82/963209482.db2.gz MLHLYUWXFMSVGX-AWEZNQCLSA-N 2 0 269.433 1.716 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC001343489912 964006818 /nfs/dbraw/zinc/00/68/18/964006818.db2.gz ZNOZOYFLJIFLJD-FVCCEPFGSA-N 2 0 253.390 1.173 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)CC[N@@H+](C)CC ZINC001448764156 967244614 /nfs/dbraw/zinc/24/46/14/967244614.db2.gz RGKSZAICDVODLT-LBPRGKRZSA-N 2 0 275.824 1.517 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CCC)CC1 ZINC001353446961 967985333 /nfs/dbraw/zinc/98/53/33/967985333.db2.gz AVRYTBUYXLDTDD-CQSZACIVSA-N 2 0 267.417 1.661 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001353646484 968123871 /nfs/dbraw/zinc/12/38/71/968123871.db2.gz RZKBUMSXJJJVOF-UWVGGRQHSA-N 2 0 294.424 1.581 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001499243957 974222008 /nfs/dbraw/zinc/22/20/08/974222008.db2.gz RYFRPCCOVVUMST-CYBMUJFWSA-N 2 0 299.846 1.852 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132368010 1163252969 /nfs/dbraw/zinc/25/29/69/1163252969.db2.gz HPHQNVNCRUGCAQ-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001132435369 1163291375 /nfs/dbraw/zinc/29/13/75/1163291375.db2.gz CEUCKLGWJIROMB-KGLIPLIRSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790723 1163479654 /nfs/dbraw/zinc/47/96/54/1163479654.db2.gz JWMNGWHLZYXFMX-HNNXBMFYSA-N 2 0 277.412 1.123 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133287951 1163625583 /nfs/dbraw/zinc/62/55/83/1163625583.db2.gz QLRGVMOQSHUGLC-CYBMUJFWSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001571296979 1170359808 /nfs/dbraw/zinc/35/98/08/1170359808.db2.gz KBBRDBZKSWJACT-CABCVRRESA-N 2 0 279.428 1.369 20 30 CDEDRP C[NH+](C)CC[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C(C)(C)C ZINC000594437095 342898165 /nfs/dbraw/zinc/89/81/65/342898165.db2.gz HWVIKNSRUIFAFH-ZIAGYGMSSA-N 2 0 296.459 1.880 20 30 CDEDRP C[C@H]1CCC[N@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594440247 342907141 /nfs/dbraw/zinc/90/71/41/342907141.db2.gz AXEQVHNMGZJZNA-UONOGXRCSA-N 2 0 280.416 1.246 20 30 CDEDRP Cc1cc(C[NH2+]CCN2CC[C@@H](O)C2)ccc1C#N ZINC000599010204 343939501 /nfs/dbraw/zinc/93/95/01/343939501.db2.gz SICKNXYGPNSZCI-OAHLLOKOSA-N 2 0 259.353 1.023 20 30 CDEDRP C[C@H](CCC#N)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000602509201 344458489 /nfs/dbraw/zinc/45/84/89/344458489.db2.gz DPCUQARMHLSSPZ-CQSZACIVSA-N 2 0 266.433 1.542 20 30 CDEDRP C[C@H](CCC#N)C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000602548989 344463742 /nfs/dbraw/zinc/46/37/42/344463742.db2.gz QAUFVBNAZNDORN-HUUCEWRRSA-N 2 0 278.444 1.684 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccccn1 ZINC000264123922 362973235 /nfs/dbraw/zinc/97/32/35/362973235.db2.gz RQNMOIWFMYYBFD-CQSZACIVSA-N 2 0 275.400 1.013 20 30 CDEDRP N#Cc1ccc(CN2CCC([NH2+]CCN3CCC3)CC2)cc1 ZINC000344274308 356976319 /nfs/dbraw/zinc/97/63/19/356976319.db2.gz BDFBUZQVUKLWOC-UHFFFAOYSA-N 2 0 298.434 1.818 20 30 CDEDRP C=CCC[C@H](CO)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639238399 359305729 /nfs/dbraw/zinc/30/57/29/359305729.db2.gz LKLNISBXNXNBOD-CQSZACIVSA-N 2 0 270.417 1.138 20 30 CDEDRP C[NH+](C)C[C@H]1CC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337191342 360017638 /nfs/dbraw/zinc/01/76/38/360017638.db2.gz SKAUHRGYFQTBEM-OAHLLOKOSA-N 2 0 279.428 1.970 20 30 CDEDRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000176947231 189016327 /nfs/dbraw/zinc/01/63/27/189016327.db2.gz UETOAZWLVADUNX-UHFFFAOYSA-N 2 0 292.452 1.737 20 30 CDEDRP O=C(CCc1ncc[nH]1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329214245 227355690 /nfs/dbraw/zinc/35/56/90/227355690.db2.gz KWFWYLZUXDCJLW-NSHDSACASA-N 2 0 262.357 1.783 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001661045497 1172328074 /nfs/dbraw/zinc/32/80/74/1172328074.db2.gz KYZZIVOQYXTAKD-HOTGVXAUSA-N 2 0 293.455 1.873 20 30 CDEDRP COc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1C#N ZINC000414855459 241419870 /nfs/dbraw/zinc/41/98/70/241419870.db2.gz WNENQTPGJMFRQD-LBPRGKRZSA-N 2 0 259.353 1.656 20 30 CDEDRP C=CCN(C)CC[N@H+](CC)CCCc1cncn1C ZINC000565156457 370361907 /nfs/dbraw/zinc/36/19/07/370361907.db2.gz JQIXCEKDDCRZOI-UHFFFAOYSA-N 2 0 264.417 1.792 20 30 CDEDRP N#Cc1ccc(N2CCC([NH2+]C[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000423232143 245683349 /nfs/dbraw/zinc/68/33/49/245683349.db2.gz HOTXBGBLNINALU-MRXNPFEDSA-N 2 0 284.407 1.869 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)C(C)C ZINC000572162936 377745506 /nfs/dbraw/zinc/74/55/06/377745506.db2.gz NTSDHKWFLUNXPD-ZNMIVQPWSA-N 2 0 279.428 1.539 20 30 CDEDRP CNC(NCc1ccccc1C[NH+]1CCCC1)=[NH+]C ZINC000057887352 390498250 /nfs/dbraw/zinc/49/82/50/390498250.db2.gz MLENXLUGZIFPJQ-UHFFFAOYSA-N 2 0 260.385 1.577 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000345287008 391117650 /nfs/dbraw/zinc/11/76/50/391117650.db2.gz XETDYNVLKMOYOU-OKILXGFUSA-N 2 0 279.428 1.626 20 30 CDEDRP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266915703 391183677 /nfs/dbraw/zinc/18/36/77/391183677.db2.gz KKTOWTXXVRVSRK-CHWSQXEVSA-N 2 0 289.383 1.350 20 30 CDEDRP C[NH+](C)C1CCN(CCNC(=[NH2+])Nc2ccccc2)CC1 ZINC000267309462 391191959 /nfs/dbraw/zinc/19/19/59/391191959.db2.gz LMXQIWWZQBJNRV-UHFFFAOYSA-N 2 0 289.427 1.439 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C1)C(C)C ZINC000417058384 391341163 /nfs/dbraw/zinc/34/11/63/391341163.db2.gz FOILLPQGPIWOAI-HUUCEWRRSA-N 2 0 294.443 1.346 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCCC#N ZINC000360154170 391643612 /nfs/dbraw/zinc/64/36/12/391643612.db2.gz GRWUXGVKXRHZBG-HNNXBMFYSA-N 2 0 294.443 1.555 20 30 CDEDRP C[NH+]=C(NCc1cccn1C)NC1CC[NH+](C2CC2)CC1 ZINC000262803728 391825998 /nfs/dbraw/zinc/82/59/98/391825998.db2.gz RVEBTPMHCPUBIM-UHFFFAOYSA-N 2 0 289.427 1.317 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(C#N)o1 ZINC000518619297 260471154 /nfs/dbraw/zinc/47/11/54/260471154.db2.gz PEEZHHKDEMBSGF-UHFFFAOYSA-N 2 0 264.373 1.076 20 30 CDEDRP C=CC1CC[NH+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000414692200 263032826 /nfs/dbraw/zinc/03/28/26/263032826.db2.gz KIUKGLJXQCDSCS-AWEZNQCLSA-N 2 0 265.401 1.082 20 30 CDEDRP CCCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000285046464 263089543 /nfs/dbraw/zinc/08/95/43/263089543.db2.gz KVRWRJOQZCIPHE-GXTWGEPZSA-N 2 0 292.431 1.117 20 30 CDEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653060529 424195263 /nfs/dbraw/zinc/19/52/63/424195263.db2.gz GYYBWCULHRUPNI-ZDUSSCGKSA-N 2 0 281.425 1.542 20 30 CDEDRP C[NH+](C)Cc1cc(CNC(=[NH2+])NC2CC2)ccc1F ZINC000267405012 328178455 /nfs/dbraw/zinc/17/84/55/328178455.db2.gz GRQDVOWAMOLKKM-UHFFFAOYSA-N 2 0 264.348 1.454 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C)CCCC[NH3+])CC1 ZINC000417527375 328496165 /nfs/dbraw/zinc/49/61/65/328496165.db2.gz NLIYKCWTIMGUDH-CYBMUJFWSA-N 2 0 282.432 1.454 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000098092855 328701624 /nfs/dbraw/zinc/70/16/24/328701624.db2.gz XQMMCKHFXFGJIY-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP C[NH+]=C(NCC[NH+]1CCCC1)NC[C@H]1CCCS1 ZINC000179187222 329205762 /nfs/dbraw/zinc/20/57/62/329205762.db2.gz ZVBLDPYXNLKVTG-GFCCVEGCSA-N 2 0 270.446 1.143 20 30 CDEDRP CC[NH+]=C(NCC[NH+]1CCCC1)N1CC[C@@]2(CCOC2)C1 ZINC000179197085 329205781 /nfs/dbraw/zinc/20/57/81/329205781.db2.gz LGWVGBQBFAAEJI-MRXNPFEDSA-N 2 0 294.443 1.160 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@](C)(OC)C1(C)C ZINC000262528083 330019669 /nfs/dbraw/zinc/01/96/69/330019669.db2.gz MAOVGKFQBSKHAA-WWGRRREGSA-N 2 0 296.459 1.579 20 30 CDEDRP CC1(C)CCC[N@@H+]1CCNC(=[NH2+])NCC1CCC1 ZINC000263151181 330046095 /nfs/dbraw/zinc/04/60/95/330046095.db2.gz PMPOCKOUNAEWRX-UHFFFAOYSA-N 2 0 252.406 1.565 20 30 CDEDRP COCC1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC[NH2+]CC1 ZINC000423402314 330196389 /nfs/dbraw/zinc/19/63/89/330196389.db2.gz HAYRWURIIMEXGO-KGLIPLIRSA-N 2 0 265.401 1.675 20 30 CDEDRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424139482 330278967 /nfs/dbraw/zinc/27/89/67/330278967.db2.gz ANMCRVVQCOVBKQ-KGLIPLIRSA-N 2 0 280.416 1.244 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])C(C)C ZINC000424143203 330287020 /nfs/dbraw/zinc/28/70/20/330287020.db2.gz ZJVQQEANMXVPBW-HZSPNIEDSA-N 2 0 265.401 1.148 20 30 CDEDRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424160792 330306319 /nfs/dbraw/zinc/30/63/19/330306319.db2.gz UVDLPVACLUDVNA-GJZGRUSLSA-N 2 0 294.443 1.778 20 30 CDEDRP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424197106 330325602 /nfs/dbraw/zinc/32/56/02/330325602.db2.gz WFHJAMMGYDBGGA-ZDUSSCGKSA-N 2 0 268.405 1.054 20 30 CDEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442791552 330783937 /nfs/dbraw/zinc/78/39/37/330783937.db2.gz JPAMSQUMVNHXNT-BZUAXINKSA-N 2 0 278.444 1.542 20 30 CDEDRP C=CCN1CCC([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000459408465 331280258 /nfs/dbraw/zinc/28/02/58/331280258.db2.gz WQWXQRSTEHVPMW-UHFFFAOYSA-N 3 0 263.429 1.853 20 30 CDEDRP C#CCNC(=O)CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000491154958 332157982 /nfs/dbraw/zinc/15/79/82/332157982.db2.gz NPGJYBTUZBJTKK-HNNXBMFYSA-N 2 0 277.412 1.076 20 30 CDEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000577099034 335299832 /nfs/dbraw/zinc/29/98/32/335299832.db2.gz SJIKYCWYPKLHIT-JKSUJKDBSA-N 2 0 291.443 1.293 20 30 CDEDRP C#CCN(C)CCC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000380838836 336036122 /nfs/dbraw/zinc/03/61/22/336036122.db2.gz NIXUWUMEVBLCGZ-RRFJBIMHSA-N 2 0 264.413 1.735 20 30 CDEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001755432785 1160162886 /nfs/dbraw/zinc/16/28/86/1160162886.db2.gz YUINTWMZXUQUEW-FPCVCCKLSA-N 2 0 293.455 1.587 20 30 CDEDRP C=CCN1CCC([NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000675828621 483373392 /nfs/dbraw/zinc/37/33/92/483373392.db2.gz VOOVYMPPSHZWIU-CQSZACIVSA-N 2 0 265.445 1.957 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(CC[NH3+])Cc1ccccc1 ZINC001122011035 1161114185 /nfs/dbraw/zinc/11/41/85/1161114185.db2.gz GGSSFWFOZJHHHH-OAHLLOKOSA-N 2 0 275.396 1.658 20 30 CDEDRP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108756767 1162022613 /nfs/dbraw/zinc/02/26/13/1162022613.db2.gz VBPMJRUMSAAAGL-XHSDSOJGSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001113007013 1162068448 /nfs/dbraw/zinc/06/84/48/1162068448.db2.gz HJVCDEUENTXBCZ-LSDHHAIUSA-N 2 0 281.444 1.826 20 30 CDEDRP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001753639894 1185282299 /nfs/dbraw/zinc/28/22/99/1185282299.db2.gz OBEQRACLXQJUHN-ILXRZTDVSA-N 2 0 279.428 1.082 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132111876 1163176567 /nfs/dbraw/zinc/17/65/67/1163176567.db2.gz XOMMRRQACPQDNT-GJZGRUSLSA-N 2 0 291.439 1.463 20 30 CDEDRP NC(=[NH2+])N=NC1CCCC[C@H]1[NH+]1CCCCCC1 ZINC000749807081 576963747 /nfs/dbraw/zinc/96/37/47/576963747.db2.gz JPQGXTXWFMDQEO-GFCCVEGCSA-N 2 0 251.378 1.644 20 30 CDEDRP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000981367905 612958617 /nfs/dbraw/zinc/95/86/17/612958617.db2.gz PKAYHDVEZVREGA-CVEARBPZSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000971539662 613088800 /nfs/dbraw/zinc/08/88/00/613088800.db2.gz NDTWLNPPHXORBU-HNNXBMFYSA-N 2 0 291.439 1.417 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000957774145 613257936 /nfs/dbraw/zinc/25/79/36/613257936.db2.gz LNLKYGZHXPNSJT-UHFFFAOYSA-N 2 0 293.455 1.973 20 30 CDEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000969792526 613302353 /nfs/dbraw/zinc/30/23/53/613302353.db2.gz KEKSLEFWEZHVNG-GOEBONIOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000968644577 613385461 /nfs/dbraw/zinc/38/54/61/613385461.db2.gz BOFJLPJGAUOMJH-ZIAGYGMSSA-N 2 0 299.846 1.802 20 30 CDEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000969698595 613485721 /nfs/dbraw/zinc/48/57/21/613485721.db2.gz FFEZCLPAAHMGKD-GZBFAFLISA-N 2 0 279.428 1.339 20 30 CDEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000968780395 613545515 /nfs/dbraw/zinc/54/55/15/613545515.db2.gz FEAAUIFMHMPFFW-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000971777517 613610340 /nfs/dbraw/zinc/61/03/40/613610340.db2.gz DOZLECBBHKXUMU-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000971641847 613615178 /nfs/dbraw/zinc/61/51/78/613615178.db2.gz OLAPVKYRXKSCNE-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000971942068 613637703 /nfs/dbraw/zinc/63/77/03/613637703.db2.gz CFNAOPBYYGMGGS-HNNXBMFYSA-N 2 0 284.363 1.667 20 30 CDEDRP C=CC[NH+]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975060148 613826318 /nfs/dbraw/zinc/82/63/18/613826318.db2.gz IMHATBZZJXFWGK-KBPBESRZSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000974778268 613829233 /nfs/dbraw/zinc/82/92/33/613829233.db2.gz ONMMTJOGCYJKIB-HNNXBMFYSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000969457234 613864462 /nfs/dbraw/zinc/86/44/62/613864462.db2.gz DGXZBNVDZBEKBS-HUUCEWRRSA-N 2 0 277.412 1.237 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000969169653 613865549 /nfs/dbraw/zinc/86/55/49/613865549.db2.gz GITPSLZTPCVTQE-HUUCEWRRSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC000939808679 613868627 /nfs/dbraw/zinc/86/86/27/613868627.db2.gz GBGXOSDYZLHLJW-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000981414847 613871564 /nfs/dbraw/zinc/87/15/64/613871564.db2.gz PNYPAASQAPLHKE-JKSUJKDBSA-N 2 0 293.455 1.921 20 30 CDEDRP N#Cc1ccc(NCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000925892473 617985894 /nfs/dbraw/zinc/98/58/94/617985894.db2.gz BMOVOGPWSCSYMZ-XHSDSOJGSA-N 2 0 299.422 1.875 20 30 CDEDRP CCN(CC)C(=[NH2+])NC[C@@H](C)C[NH+]1CCCCC1 ZINC000104176357 618045590 /nfs/dbraw/zinc/04/55/90/618045590.db2.gz KIZDKCRICUDHKX-CYBMUJFWSA-N 2 0 254.422 1.765 20 30 CDEDRP C#CCN1CCC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000895747213 619821735 /nfs/dbraw/zinc/82/17/35/619821735.db2.gz FYXXVTVOOSNNIG-QGZVFWFLSA-N 2 0 298.434 1.738 20 30 CDEDRP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000896890416 620279747 /nfs/dbraw/zinc/27/97/47/620279747.db2.gz KPPGXNXQYHUORA-CQSZACIVSA-N 2 0 294.443 1.553 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911651679 629397018 /nfs/dbraw/zinc/39/70/18/629397018.db2.gz CJPBEASDNSNJIE-CHWSQXEVSA-N 2 0 255.406 1.624 20 30 CDEDRP C=C(Cl)CN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032945083 683072406 /nfs/dbraw/zinc/07/24/06/683072406.db2.gz NLQVHIABONXPCH-QWHCGFSZSA-N 2 0 285.819 1.366 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993758199 679699983 /nfs/dbraw/zinc/69/99/83/679699983.db2.gz IDSWOCBZLTUPNJ-GOEBONIOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001041402339 679722662 /nfs/dbraw/zinc/72/26/62/679722662.db2.gz HRMHOCGYDMOVBV-NVXWUHKLSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001028445192 679737271 /nfs/dbraw/zinc/73/72/71/679737271.db2.gz LVGMZJMEQUIBHC-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001074888532 679736908 /nfs/dbraw/zinc/73/69/08/679736908.db2.gz IJXXBIYAVMPDFD-AVGNSLFASA-N 2 0 253.390 1.092 20 30 CDEDRP C#CCN1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000923581760 679758912 /nfs/dbraw/zinc/75/89/12/679758912.db2.gz KAPQDFRVDOCVQQ-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023130179 679772109 /nfs/dbraw/zinc/77/21/09/679772109.db2.gz CVVWPPBWERSWRV-GASCZTMLSA-N 2 0 287.407 1.785 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007348005 679777281 /nfs/dbraw/zinc/77/72/81/679777281.db2.gz XSYJNIBTIYJACH-CVEARBPZSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001024436267 679787685 /nfs/dbraw/zinc/78/76/85/679787685.db2.gz AWYJDFCQCPRTCE-HOTGVXAUSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001020499876 679794071 /nfs/dbraw/zinc/79/40/71/679794071.db2.gz GNMWMEGTMQBSKZ-RBSFLKMASA-N 2 0 279.428 1.531 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000849023107 679794455 /nfs/dbraw/zinc/79/44/55/679794455.db2.gz LZRGEYSUTBOYSO-CQSZACIVSA-N 2 0 290.411 1.962 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001000377362 679812761 /nfs/dbraw/zinc/81/27/61/679812761.db2.gz KULOQMVORUATJB-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001050648723 679814485 /nfs/dbraw/zinc/81/44/85/679814485.db2.gz MXPKNVGQIWEZEW-OAHLLOKOSA-N 2 0 291.439 1.130 20 30 CDEDRP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033938125 679818902 /nfs/dbraw/zinc/81/89/02/679818902.db2.gz SMTKHOITHQWTGA-JYJNAYRXSA-N 2 0 291.439 1.273 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001001534422 679741822 /nfs/dbraw/zinc/74/18/22/679741822.db2.gz KFUABSKIPJGWOW-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001032399650 679831535 /nfs/dbraw/zinc/83/15/35/679831535.db2.gz BIAGEKKFTDHBOB-HRCADAONSA-N 2 0 289.423 1.168 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999795408 679832571 /nfs/dbraw/zinc/83/25/71/679832571.db2.gz YSQKKRXMFNRVEJ-JKSUJKDBSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2 ZINC001035797383 679845916 /nfs/dbraw/zinc/84/59/16/679845916.db2.gz ZZAZPZBALKTHOH-HNNXBMFYSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001022714609 679847826 /nfs/dbraw/zinc/84/78/26/679847826.db2.gz XFCUIVRNUJQSFF-MELADBBJSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000985482511 681235284 /nfs/dbraw/zinc/23/52/84/681235284.db2.gz VESAYKMEYRTEJM-HNNXBMFYSA-N 2 0 281.444 1.681 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)C(C)C)C1 ZINC001027448239 681578986 /nfs/dbraw/zinc/57/89/86/681578986.db2.gz SIXHGMPSEXYGCI-HOTGVXAUSA-N 2 0 291.439 1.415 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001000194511 681602790 /nfs/dbraw/zinc/60/27/90/681602790.db2.gz VUWCTIAIYGCPDF-TZMCWYRMSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCN3C)CCC[C@H]12 ZINC000990013323 681801125 /nfs/dbraw/zinc/80/11/25/681801125.db2.gz HYIDLDCHUMKGRK-YQQAZPJKSA-N 2 0 291.439 1.770 20 30 CDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000876751724 681834500 /nfs/dbraw/zinc/83/45/00/681834500.db2.gz WMTSPJKHPOYGIM-NEPJUHHUSA-N 2 0 273.808 1.447 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001003631168 681816606 /nfs/dbraw/zinc/81/66/06/681816606.db2.gz RYLGVNPOTUUZGK-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001009203807 682071894 /nfs/dbraw/zinc/07/18/94/682071894.db2.gz SMJSDHHQNOYWCC-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995825906 682134280 /nfs/dbraw/zinc/13/42/80/682134280.db2.gz UDNOFTIKCUFITI-LSDHHAIUSA-N 2 0 291.439 1.341 20 30 CDEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001052253050 682198432 /nfs/dbraw/zinc/19/84/32/682198432.db2.gz YVYYAYRRBBHXIF-ZIAGYGMSSA-N 2 0 299.846 1.804 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C(C)C)C2 ZINC001072823806 682308398 /nfs/dbraw/zinc/30/83/98/682308398.db2.gz PDVGLYKBZQWOAG-HNNXBMFYSA-N 2 0 289.423 1.027 20 30 CDEDRP C#CC[N@@H+](C)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC000985480641 682321048 /nfs/dbraw/zinc/32/10/48/682321048.db2.gz LKNAVFAWOUNCRE-HNNXBMFYSA-N 2 0 291.439 1.417 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001049994954 682364375 /nfs/dbraw/zinc/36/43/75/682364375.db2.gz CRRUZHWKLRGVSD-ARFHVFGLSA-N 2 0 291.439 1.580 20 30 CDEDRP C[NH+]=C(NCCC[N@@H+]1CCCC[C@@H]1C)NC1CC1 ZINC000848982391 682411892 /nfs/dbraw/zinc/41/18/92/682411892.db2.gz OWFMQXPNUAAVSO-LBPRGKRZSA-N 2 0 252.406 1.578 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@H](C1CCCCC1)[NH+](C)C ZINC000303902402 682456787 /nfs/dbraw/zinc/45/67/87/682456787.db2.gz TYERFXXXLKPLPQ-OAHLLOKOSA-N 2 0 298.475 1.828 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073127565 682620938 /nfs/dbraw/zinc/62/09/38/682620938.db2.gz FSEDVCOACZTJMB-OAHLLOKOSA-N 2 0 291.439 1.439 20 30 CDEDRP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001045557481 682682027 /nfs/dbraw/zinc/68/20/27/682682027.db2.gz MCGMIUVHYFGXLE-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052526878 682720334 /nfs/dbraw/zinc/72/03/34/682720334.db2.gz MFWMQHZCRYYSSZ-HNNXBMFYSA-N 2 0 289.423 1.219 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000786211938 682809975 /nfs/dbraw/zinc/80/99/75/682809975.db2.gz JOBNFODTEPSAQC-UHFFFAOYSA-N 2 0 296.374 1.552 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCCC[N@@H+]1CCCC[C@H]1C ZINC000303781030 682815678 /nfs/dbraw/zinc/81/56/78/682815678.db2.gz LXWVXLXPSOCATI-QWHCGFSZSA-N 2 0 270.421 1.190 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000987521693 682821299 /nfs/dbraw/zinc/82/12/99/682821299.db2.gz CZOKBPFQFPJESR-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C[C@@H](CNC(=[NH2+])N1CCCCC1)C[NH+]1CCCC1 ZINC000303903455 682835094 /nfs/dbraw/zinc/83/50/94/682835094.db2.gz YJZSXEOWQBOYKF-ZDUSSCGKSA-N 2 0 252.406 1.519 20 30 CDEDRP C[C@H](CNC(=[NH2+])N1CCCCCC1)C[NH+]1CCCC1 ZINC000305051918 682836712 /nfs/dbraw/zinc/83/67/12/682836712.db2.gz HTTGTTCHSVXSHP-CQSZACIVSA-N 2 0 266.433 1.909 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001019397341 682838636 /nfs/dbraw/zinc/83/86/36/682838636.db2.gz VLFLHFNRLKIQKA-RYUDHWBXSA-N 2 0 273.808 1.270 20 30 CDEDRP C[C@H]1CCCN(C(=[NH2+])NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000104172518 683059134 /nfs/dbraw/zinc/05/91/34/683059134.db2.gz VVAJKMQMVOGONR-QWHCGFSZSA-N 2 0 264.417 1.517 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999033475 683076604 /nfs/dbraw/zinc/07/66/04/683076604.db2.gz LUKFZMDTYXMKAD-GPANFISMSA-N 2 0 291.439 1.319 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001036896349 683150093 /nfs/dbraw/zinc/15/00/93/683150093.db2.gz NMYVWGROQDYOEW-HZPDHXFCSA-N 2 0 289.423 1.028 20 30 CDEDRP C[C@H](CNC(=[NH2+])NC(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000261979816 683163726 /nfs/dbraw/zinc/16/37/26/683163726.db2.gz HLTJWPHRXNQYNB-VXGBXAGGSA-N 2 0 254.422 1.810 20 30 CDEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046597216 683230937 /nfs/dbraw/zinc/23/09/37/683230937.db2.gz GIELEPBAMHQGTC-HNNXBMFYSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001017906626 683265906 /nfs/dbraw/zinc/26/59/06/683265906.db2.gz YUGBNKPMFGXIDU-OWCLPIDISA-N 2 0 293.455 1.824 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC000996448189 683270133 /nfs/dbraw/zinc/27/01/33/683270133.db2.gz FUDAQVTVOQOBOU-OAHLLOKOSA-N 2 0 293.455 1.731 20 30 CDEDRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NCCCOCC ZINC000303895529 683343817 /nfs/dbraw/zinc/34/38/17/683343817.db2.gz TYMRYNQQWADXLN-OAHLLOKOSA-N 2 0 298.475 1.972 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001050456211 683375889 /nfs/dbraw/zinc/37/58/89/683375889.db2.gz DBAWQEHLVKUXOY-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033551708 683556691 /nfs/dbraw/zinc/55/66/91/683556691.db2.gz PIDPPNDGNAEDCO-MRXNPFEDSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001038863151 683664713 /nfs/dbraw/zinc/66/47/13/683664713.db2.gz KIPUYSYPPWUGHD-INIZCTEOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073426104 683673533 /nfs/dbraw/zinc/67/35/33/683673533.db2.gz QEXKUFCAJRRLRK-CQSZACIVSA-N 2 0 277.412 1.049 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001072541637 683691066 /nfs/dbraw/zinc/69/10/66/683691066.db2.gz AVZMKWBTGNORIB-AWEZNQCLSA-N 2 0 277.412 1.191 20 30 CDEDRP C[C@@H]1CNC(NN=C2CCC(C)([NH+]3CCCC3)CC2)=[NH+]1 ZINC000884448066 683703664 /nfs/dbraw/zinc/70/36/64/683703664.db2.gz QOMSIQJMCHNFNK-KEKZHRQWSA-N 2 0 277.416 1.708 20 30 CDEDRP C#CCN1CC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033366103 683785597 /nfs/dbraw/zinc/78/55/97/683785597.db2.gz NFIOHJUHXQDQMR-AWEZNQCLSA-N 2 0 289.379 1.121 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000928648889 683793297 /nfs/dbraw/zinc/79/32/97/683793297.db2.gz UMBWPCXUZKBWSB-UHFFFAOYSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001027410043 683814939 /nfs/dbraw/zinc/81/49/39/683814939.db2.gz SBMTZRVMEJTSHS-JKSUJKDBSA-N 2 0 293.455 1.968 20 30 CDEDRP CCCCNC(=[NH2+])NCC[C@@H](C)[NH+]1CCCCC1 ZINC000305813638 683819627 /nfs/dbraw/zinc/81/96/27/683819627.db2.gz KWDOIAPQYQZDAZ-CYBMUJFWSA-N 2 0 254.422 1.955 20 30 CDEDRP C[C@H]1CCC[N@H+](CCCCNC(=[NH2+])N2CCSCC2)C1 ZINC000104169972 683904058 /nfs/dbraw/zinc/90/40/58/683904058.db2.gz KVVSARUXBQGGTP-AWEZNQCLSA-N 2 0 298.500 1.862 20 30 CDEDRP C#CCN1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071820602 683940479 /nfs/dbraw/zinc/94/04/79/683940479.db2.gz ALYIJEOLOFGJLH-LSDHHAIUSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000987121992 683941140 /nfs/dbraw/zinc/94/11/40/683941140.db2.gz BESVCXPTUJZFRR-ZFWWWQNUSA-N 2 0 279.428 1.483 20 30 CDEDRP C[NH+]=C(NCC(C)(C)[NH+](C)C)N1CC[C@@]2(CCOC2)C1 ZINC000261986579 683960898 /nfs/dbraw/zinc/96/08/98/683960898.db2.gz QGYGJCUMGAGDCR-OAHLLOKOSA-N 2 0 282.432 1.014 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2ncc[nH]2)CC1 ZINC001052823648 684039456 /nfs/dbraw/zinc/03/94/56/684039456.db2.gz LFVOHZVCOLTXCB-CYBMUJFWSA-N 2 0 276.384 1.499 20 30 CDEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000997100698 684118291 /nfs/dbraw/zinc/11/82/91/684118291.db2.gz OERLIBRVPMTITC-IIAWOOMASA-N 2 0 291.439 1.177 20 30 CDEDRP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028647901 684146132 /nfs/dbraw/zinc/14/61/32/684146132.db2.gz PKVLXDGBURFCJX-JKSUJKDBSA-N 2 0 291.439 1.178 20 30 CDEDRP C[NH+]=C(NCC1CC[NH+](C)CC1)N1CC[C@]2(CCOC2)C1 ZINC000158033230 684181924 /nfs/dbraw/zinc/18/19/24/684181924.db2.gz YDNLCUKBPUVAMR-INIZCTEOSA-N 2 0 294.443 1.016 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995804215 684241482 /nfs/dbraw/zinc/24/14/82/684241482.db2.gz RDKGBHIROFSOTR-LSDHHAIUSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001023403734 684247056 /nfs/dbraw/zinc/24/70/56/684247056.db2.gz NNTZHABZOHHTQW-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023377530 684260505 /nfs/dbraw/zinc/26/05/05/684260505.db2.gz PGQNFVLAPIEOKK-OWCLPIDISA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001832881 684289219 /nfs/dbraw/zinc/28/92/19/684289219.db2.gz IODLVHVDDJIZKU-ZBFHGGJFSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001054735294 684289782 /nfs/dbraw/zinc/28/97/82/684289782.db2.gz CFKCBUHGSZKRSL-GXTWGEPZSA-N 2 0 265.401 1.093 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129849584 1162499215 /nfs/dbraw/zinc/49/92/15/1162499215.db2.gz LGRNQCIYWUZWDA-GFCCVEGCSA-N 2 0 273.808 1.319 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130190459 1162566457 /nfs/dbraw/zinc/56/64/57/1162566457.db2.gz ZSXIEAIATVFMFP-KGLIPLIRSA-N 2 0 265.401 1.285 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130710775 1162697314 /nfs/dbraw/zinc/69/73/14/1162697314.db2.gz DOHBLJDSEILAEZ-CYBMUJFWSA-N 2 0 287.835 1.565 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131370097 1162878457 /nfs/dbraw/zinc/87/84/57/1162878457.db2.gz CWWPASSCSSMBEM-UHFFFAOYSA-N 2 0 278.743 1.406 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001109731923 1162037075 /nfs/dbraw/zinc/03/70/75/1162037075.db2.gz TYZZPLMPCSYYFT-RFGFWPKPSA-N 2 0 265.401 1.234 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001133183371 1163598894 /nfs/dbraw/zinc/59/88/94/1163598894.db2.gz ZMACWHLFPOZVKW-CVEARBPZSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCCC[NH+]1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273487882 1164359465 /nfs/dbraw/zinc/35/94/65/1164359465.db2.gz UMHPNRPXYBMMLP-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP N#CC[C@@H](O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001647445484 1168698874 /nfs/dbraw/zinc/69/88/74/1168698874.db2.gz AOPOIVLKMIWNSQ-MRXNPFEDSA-N 2 0 295.427 1.085 20 30 CDEDRP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001713408778 1178543318 /nfs/dbraw/zinc/54/33/18/1178543318.db2.gz BBEOQJIXXPEHRB-HOCLYGCPSA-N 2 0 291.439 1.511 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001753459072 1184545094 /nfs/dbraw/zinc/54/50/94/1184545094.db2.gz LAGGVTGOCPPVRT-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001752811848 1184920037 /nfs/dbraw/zinc/92/00/37/1184920037.db2.gz DTEIXQZCIUVPTD-CVEARBPZSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CC[NH2+]C1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001752850934 1184933861 /nfs/dbraw/zinc/93/38/61/1184933861.db2.gz SCVVJKZOALXWMR-UHFFFAOYSA-N 2 0 277.412 1.121 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001752939790 1184970675 /nfs/dbraw/zinc/97/06/75/1184970675.db2.gz ZMDNLBNHRKFQHF-JKSUJKDBSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001753153069 1185088376 /nfs/dbraw/zinc/08/83/76/1185088376.db2.gz VMKKPBBPFGBYQJ-HNNXBMFYSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001753331902 1185157630 /nfs/dbraw/zinc/15/76/30/1185157630.db2.gz CVMNEJQAPIUVKI-HNNXBMFYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001753359812 1185168582 /nfs/dbraw/zinc/16/85/82/1185168582.db2.gz LYTJBUZAIARNHF-AWEZNQCLSA-N 2 0 267.417 1.293 20 30 CDEDRP C=CC[NH2+]CC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCCC1 ZINC001753508178 1185241374 /nfs/dbraw/zinc/24/13/74/1185241374.db2.gz YXCLMVLQYQTXJX-AWEZNQCLSA-N 2 0 279.428 1.533 20 30 CDEDRP C#CC[NH2+]C[C@]1(NC(=O)CCC[NH+](C)C)CCCC[C@@H]1C ZINC001753533514 1185248809 /nfs/dbraw/zinc/24/88/09/1185248809.db2.gz KGYJURKPWIXRKX-DOTOQJQBSA-N 2 0 293.455 1.616 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001753896087 1185384799 /nfs/dbraw/zinc/38/47/99/1185384799.db2.gz SROHCXRNIAEVND-HUUCEWRRSA-N 2 0 291.439 1.226 20 30 CDEDRP C=CC[NH2+]C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001754277133 1185546886 /nfs/dbraw/zinc/54/68/86/1185546886.db2.gz VAICMEDFNKFCGM-AWEZNQCLSA-N 2 0 281.444 1.921 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001754445390 1185621061 /nfs/dbraw/zinc/62/10/61/1185621061.db2.gz RBTNTPKUFJSNET-JKSUJKDBSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001754580673 1185673070 /nfs/dbraw/zinc/67/30/70/1185673070.db2.gz IMHDRFSEHNBPQF-AWEZNQCLSA-N 2 0 293.455 1.826 20 30 CDEDRP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001754794615 1185733754 /nfs/dbraw/zinc/73/37/54/1185733754.db2.gz DWPJVKBMMBOIJM-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001754794832 1185734180 /nfs/dbraw/zinc/73/41/80/1185734180.db2.gz HXOOSFHCOVDXHC-UONOGXRCSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CCC=C)CC1 ZINC001755617796 1186013709 /nfs/dbraw/zinc/01/37/09/1186013709.db2.gz FEPHTIAHSREXBN-OAHLLOKOSA-N 2 0 291.439 1.344 20 30 CDEDRP C=CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC001755756815 1186059379 /nfs/dbraw/zinc/05/93/79/1186059379.db2.gz GSYSJIRLSKFHNT-HNNXBMFYSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001755776791 1186063631 /nfs/dbraw/zinc/06/36/31/1186063631.db2.gz ZMASRHREMFONMS-CQSZACIVSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133856502 1163933800 /nfs/dbraw/zinc/93/38/00/1163933800.db2.gz HKPRJGVKJNSWKY-INIZCTEOSA-N 2 0 299.434 1.871 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001566773505 1168415446 /nfs/dbraw/zinc/41/54/46/1168415446.db2.gz JZVOGJROXQOGHO-UONOGXRCSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CCN1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H]1C ZINC001088897272 912226560 /nfs/dbraw/zinc/22/65/60/912226560.db2.gz BNVJJOHEEWEEFN-PMPSAXMXSA-N 2 0 291.439 1.462 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001106246570 913709557 /nfs/dbraw/zinc/70/95/57/913709557.db2.gz OUONUFHEHCDDRZ-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089336875 914029634 /nfs/dbraw/zinc/02/96/34/914029634.db2.gz ZDKJFXXWZUAFPE-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001106581666 914045606 /nfs/dbraw/zinc/04/56/06/914045606.db2.gz KLJRVZNQUSCQKP-FXUDXRNXSA-N 2 0 291.439 1.034 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106633405 914080271 /nfs/dbraw/zinc/08/02/71/914080271.db2.gz JMTUBYCPMZRIIU-BZUAXINKSA-N 2 0 293.455 1.280 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2ccnc2)C[C@H]1C ZINC001106712614 914172820 /nfs/dbraw/zinc/17/28/20/914172820.db2.gz DNKVQWOLGQTEPG-QLFBSQMISA-N 2 0 288.395 1.152 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001203414403 899393327 /nfs/dbraw/zinc/39/33/27/899393327.db2.gz KJLPZDMVLJSQHK-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176930062 914362632 /nfs/dbraw/zinc/36/26/32/914362632.db2.gz CPLSKXWQOOUMOM-UHFFFAOYSA-N 2 0 281.444 1.925 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001167736538 899624606 /nfs/dbraw/zinc/62/46/06/899624606.db2.gz DHMXFBKPTLWEDG-CQSZACIVSA-N 2 0 279.428 1.390 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001105064424 899838887 /nfs/dbraw/zinc/83/88/87/899838887.db2.gz OCUCQOZZAMBXTH-HUUCEWRRSA-N 2 0 281.444 1.587 20 30 CDEDRP N#CC1(c2ccc(NC(=[NH2+])NCCCC[NH3+])nc2)CC1 ZINC001167879059 901610741 /nfs/dbraw/zinc/61/07/41/901610741.db2.gz XRDXWSFZCXPAEI-UHFFFAOYSA-N 2 0 272.356 1.312 20 30 CDEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001088278096 906779405 /nfs/dbraw/zinc/77/94/05/906779405.db2.gz OPVNGGANQCUPPS-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189109775 921313914 /nfs/dbraw/zinc/31/39/14/921313914.db2.gz DFDLNRHWCDVWBN-HRCADAONSA-N 2 0 291.439 1.273 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000986459395 907486373 /nfs/dbraw/zinc/48/63/73/907486373.db2.gz BSCCNPRWMGJGIQ-XJKSGUPXSA-N 2 0 296.374 1.469 20 30 CDEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088562562 907930589 /nfs/dbraw/zinc/93/05/89/907930589.db2.gz CHFLVQSWUANPGA-PMPSAXMXSA-N 2 0 291.439 1.462 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168291022 908915531 /nfs/dbraw/zinc/91/55/31/908915531.db2.gz OANCWTOAYLUSIZ-GASCZTMLSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168291227 908917576 /nfs/dbraw/zinc/91/75/76/908917576.db2.gz SCPBQWOATRNKQR-GASCZTMLSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001178467540 915450866 /nfs/dbraw/zinc/45/08/66/915450866.db2.gz DBDNRWOBEULRMY-INIZCTEOSA-N 2 0 293.455 1.759 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001178832061 915647519 /nfs/dbraw/zinc/64/75/19/915647519.db2.gz CAJJCDFXEOWSGZ-MRXNPFEDSA-N 2 0 293.455 1.760 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179435144 915836008 /nfs/dbraw/zinc/83/60/08/915836008.db2.gz KXUFMJDXLNLHAS-STQMWFEESA-N 2 0 253.390 1.093 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)C1CC[NH+](C)CC1 ZINC001179461463 915845813 /nfs/dbraw/zinc/84/58/13/915845813.db2.gz LDLLEDPYIHIPBR-UHFFFAOYSA-N 2 0 281.444 1.780 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001179779198 915959185 /nfs/dbraw/zinc/95/91/85/915959185.db2.gz DVYRPCHWVDYGOV-HOTGVXAUSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001180148929 916179041 /nfs/dbraw/zinc/17/90/41/916179041.db2.gz SZQLOMAWYFCXJQ-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001181653065 917246126 /nfs/dbraw/zinc/24/61/26/917246126.db2.gz VBRPNTDMNOKBMC-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001182607695 918009635 /nfs/dbraw/zinc/00/96/35/918009635.db2.gz JVYCMVIPGXEJJW-BFYDXBDKSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001184557204 919192244 /nfs/dbraw/zinc/19/22/44/919192244.db2.gz UCWAIAFUOKQRMP-GJZGRUSLSA-N 2 0 291.439 1.178 20 30 CDEDRP C[NH+](C)CCOc1ccc(CN2CC[C@@H](C#N)C2)cc1 ZINC001138773036 936565346 /nfs/dbraw/zinc/56/53/46/936565346.db2.gz MQEGUISYFVYSRH-HNNXBMFYSA-N 2 0 273.380 1.972 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001202864799 936566123 /nfs/dbraw/zinc/56/61/23/936566123.db2.gz ZURZTXKQUJCNFP-ZDUSSCGKSA-N 2 0 288.395 1.192 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001185032488 919390032 /nfs/dbraw/zinc/39/00/32/919390032.db2.gz ZDMBOHJFQRRFFP-JKSUJKDBSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185082314 919414716 /nfs/dbraw/zinc/41/47/16/919414716.db2.gz BCPCSNCXFNLRHI-HOTGVXAUSA-N 2 0 295.471 1.979 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001185447017 919630933 /nfs/dbraw/zinc/63/09/33/919630933.db2.gz PZDYFZJCJUGDBR-CVEARBPZSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188158469 920907246 /nfs/dbraw/zinc/90/72/46/920907246.db2.gz PKSGLDPOIZJXHM-HUUCEWRRSA-N 2 0 281.444 1.872 20 30 CDEDRP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001191967071 922856604 /nfs/dbraw/zinc/85/66/04/922856604.db2.gz CYODBUMWTJHAGX-HRCADAONSA-N 2 0 291.439 1.273 20 30 CDEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001192188991 922939313 /nfs/dbraw/zinc/93/93/13/922939313.db2.gz AEJBVXANUJCVKQ-LSDHHAIUSA-N 2 0 279.428 1.129 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001080782781 924630234 /nfs/dbraw/zinc/63/02/34/924630234.db2.gz AZURHRRXOQLANQ-QLFBSQMISA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001100980976 936951043 /nfs/dbraw/zinc/95/10/43/936951043.db2.gz PDMFCTZTGSZRSS-SLTAFYQDSA-N 2 0 279.428 1.389 20 30 CDEDRP C#CCC[NH+]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001196341964 924877239 /nfs/dbraw/zinc/87/72/39/924877239.db2.gz TUVPKXHLTIVCQI-UHFFFAOYSA-N 2 0 279.428 1.274 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084831200 925448341 /nfs/dbraw/zinc/44/83/41/925448341.db2.gz CGWVMRFHRWBRCH-OWCLPIDISA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001085319800 925883035 /nfs/dbraw/zinc/88/30/35/925883035.db2.gz PEDKFOYWLWWPIU-HUUCEWRRSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102368538 937054531 /nfs/dbraw/zinc/05/45/31/937054531.db2.gz ZGWZMBVSEDIGIG-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102381840 937056318 /nfs/dbraw/zinc/05/63/18/937056318.db2.gz DRMLGYXBKSIQAM-KFWWJZLASA-N 2 0 279.428 1.034 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001201267093 926247814 /nfs/dbraw/zinc/24/78/14/926247814.db2.gz JXXMCRBMENXPMT-OAHLLOKOSA-N 2 0 277.412 1.075 20 30 CDEDRP C[C@@H]1CC[N@H+](Cc2ccccc2)CC1N=NC(N)=[NH2+] ZINC000776186048 926296763 /nfs/dbraw/zinc/29/67/63/926296763.db2.gz PONGXEGQOBOXJN-LLVKDONJSA-N 2 0 259.357 1.367 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001086046033 926637245 /nfs/dbraw/zinc/63/72/45/926637245.db2.gz HYSMIYJKVHHKBV-MJBXVCDLSA-N 2 0 265.401 1.141 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001086084881 926679672 /nfs/dbraw/zinc/67/96/72/926679672.db2.gz JOCWCDVNVXEKQP-XHSDSOJGSA-N 2 0 293.455 1.920 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086216885 926838951 /nfs/dbraw/zinc/83/89/51/926838951.db2.gz FDBWZAUMBBHJMC-OWCLPIDISA-N 2 0 291.439 1.367 20 30 CDEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103084093 937121110 /nfs/dbraw/zinc/12/11/10/937121110.db2.gz YADYLBONFFALRK-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001086398328 927075706 /nfs/dbraw/zinc/07/57/06/927075706.db2.gz BYDRIXCXNXZNLC-SHTZXODSSA-N 2 0 291.439 1.533 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103375063 937138763 /nfs/dbraw/zinc/13/87/63/937138763.db2.gz XKRSKZNTWMOIBK-HUUCEWRRSA-N 2 0 293.455 1.588 20 30 CDEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203327069 927467815 /nfs/dbraw/zinc/46/78/15/927467815.db2.gz XLBOJXWKVKMQPX-LSDHHAIUSA-N 2 0 291.439 1.369 20 30 CDEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103999839 937184267 /nfs/dbraw/zinc/18/42/67/937184267.db2.gz MRVSVIBUWKGHSP-BZUAXINKSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001104210994 937196336 /nfs/dbraw/zinc/19/63/36/937196336.db2.gz MBMKTICDASDBQN-KLHDSHLOSA-N 2 0 291.439 1.034 20 30 CDEDRP CC[NH+]1CCC(NC(=[NH2+])c2ccc(Cl)cn2)CC1 ZINC001169230830 927838166 /nfs/dbraw/zinc/83/81/66/927838166.db2.gz LTJSHWRVIIEZSY-UHFFFAOYSA-N 2 0 266.776 1.925 20 30 CDEDRP CCNC(NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)=[NH+]CC ZINC000693006987 937237884 /nfs/dbraw/zinc/23/78/84/937237884.db2.gz SLDCYQBMXBVPDS-LBPRGKRZSA-N 2 0 254.422 1.682 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001086534826 929113746 /nfs/dbraw/zinc/11/37/46/929113746.db2.gz ANAVIVSSRYGYHN-JOCQHMNTSA-N 2 0 288.395 1.432 20 30 CDEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001115119401 937327428 /nfs/dbraw/zinc/32/74/28/937327428.db2.gz WPWUYFZVESHKCU-LJIGWXMPSA-N 2 0 291.439 1.341 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001098461780 929450049 /nfs/dbraw/zinc/45/00/49/929450049.db2.gz OWJXGXRKVMWIQV-LVQVYYBASA-N 2 0 291.439 1.768 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001112979686 929614441 /nfs/dbraw/zinc/61/44/41/929614441.db2.gz BHHHGEUQACJIOD-INIZCTEOSA-N 2 0 293.455 1.971 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001115303370 937346064 /nfs/dbraw/zinc/34/60/64/937346064.db2.gz BXBDATQTURTUNU-FOLVSLTJSA-N 2 0 279.428 1.339 20 30 CDEDRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001152439539 937361729 /nfs/dbraw/zinc/36/17/29/937361729.db2.gz ODYYHEBUNJHVQZ-UHFFFAOYSA-N 2 0 288.395 1.104 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001091119148 931829308 /nfs/dbraw/zinc/82/93/08/931829308.db2.gz ORLQHTXEGATANR-UHFFFAOYSA-N 2 0 277.412 1.285 20 30 CDEDRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C1 ZINC001275828721 932071447 /nfs/dbraw/zinc/07/14/47/932071447.db2.gz HGMDIQCZJIPEFO-ZWKOTPCHSA-N 2 0 298.434 1.626 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001091376172 932120372 /nfs/dbraw/zinc/12/03/72/932120372.db2.gz OFPODQRZWHWXTI-UHFFFAOYSA-N 2 0 299.418 1.479 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146609650 932271405 /nfs/dbraw/zinc/27/14/05/932271405.db2.gz FUMKYEPRAMAAGG-CABCVRRESA-N 2 0 281.444 1.921 20 30 CDEDRP C=CCCCCC[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001276040461 932462397 /nfs/dbraw/zinc/46/23/97/932462397.db2.gz OPCFITVSLJYIHW-CALCHBBNSA-N 2 0 295.471 1.679 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147333288 932470950 /nfs/dbraw/zinc/47/09/50/932470950.db2.gz IEXCROILVNGTHD-UHFFFAOYSA-N 2 0 299.846 1.567 20 30 CDEDRP C=C(Cl)CN(CC)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154903955 937601612 /nfs/dbraw/zinc/60/16/12/937601612.db2.gz INRPSNFURRTHRP-CYBMUJFWSA-N 2 0 289.851 1.907 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161043115 932539268 /nfs/dbraw/zinc/53/92/68/932539268.db2.gz XZWMBLLBGRHEKY-CYBMUJFWSA-N 2 0 253.390 1.143 20 30 CDEDRP C[C@H]1[NH2+]CC[C@H]1Nc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001155181954 937645354 /nfs/dbraw/zinc/64/53/54/937645354.db2.gz ZIDOUEOPZJJRIB-QMTHXVAHSA-N 2 0 271.368 1.151 20 30 CDEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000930702510 933433873 /nfs/dbraw/zinc/43/38/73/933433873.db2.gz GNGBZLRRDINRKN-HNNXBMFYSA-N 2 0 294.443 1.553 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC001120536939 937807554 /nfs/dbraw/zinc/80/75/54/937807554.db2.gz SQNVDGPMGKUBGL-CABCVRRESA-N 2 0 294.443 1.100 20 30 CDEDRP C[N@H+]1CC=C(C[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC001120583828 937813805 /nfs/dbraw/zinc/81/38/05/937813805.db2.gz XAPXLDNPPDOHTI-CYBMUJFWSA-N 2 0 251.374 1.139 20 30 CDEDRP CN(c1ncc2c(c1C#N)CCC[NH2+]C2)[C@@]1(C)CCC[NH2+]C1 ZINC001156947365 938437453 /nfs/dbraw/zinc/43/74/53/938437453.db2.gz IXOGIOQIYAYRTE-KRWDZBQOSA-N 2 0 299.422 1.567 20 30 CDEDRP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001158486430 938629288 /nfs/dbraw/zinc/62/92/88/938629288.db2.gz CDJYLWAQYQOBKA-CVEARBPZSA-N 2 0 293.455 1.663 20 30 CDEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158751573 938659776 /nfs/dbraw/zinc/65/97/76/938659776.db2.gz YTGNDVMIYDNNAF-JKSUJKDBSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CC[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161699568 938922209 /nfs/dbraw/zinc/92/22/09/938922209.db2.gz VCAXJZRSVWADRT-MRXNPFEDSA-N 2 0 289.423 1.100 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001165617966 939572109 /nfs/dbraw/zinc/57/21/09/939572109.db2.gz STDZACYIJPJIBZ-HNNXBMFYSA-N 2 0 293.455 1.472 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166627392 939620807 /nfs/dbraw/zinc/62/08/07/939620807.db2.gz UUFOFVTZXFENNR-GJZGRUSLSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166677557 939625278 /nfs/dbraw/zinc/62/52/78/939625278.db2.gz JYCZMXWTZKBTGS-HUUCEWRRSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203630912 939698466 /nfs/dbraw/zinc/69/84/66/939698466.db2.gz JGGVZKDRYRTBRT-CABCVRRESA-N 2 0 293.455 1.921 20 30 CDEDRP C#Cc1cccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205240339 939841243 /nfs/dbraw/zinc/84/12/43/939841243.db2.gz IWCWEDBGRVIFHV-MRXNPFEDSA-N 2 0 258.365 1.344 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001206275168 940010209 /nfs/dbraw/zinc/01/02/09/940010209.db2.gz PCUOGAJQMMFZRE-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP CCC[NH+]1C[C@H]2CN(Cc3cc(C#N)n(C)c3)C[C@@H]2C1 ZINC001207110482 940151981 /nfs/dbraw/zinc/15/19/81/940151981.db2.gz OFMWVLJHMSILPF-GJZGRUSLSA-N 2 0 272.396 1.670 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001209250910 940452925 /nfs/dbraw/zinc/45/29/25/940452925.db2.gz JINJQOHGNYHXCF-JYJNAYRXSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@@H]2C[C@H]2C)CC1 ZINC001209426946 940589079 /nfs/dbraw/zinc/58/90/79/940589079.db2.gz NISGBMKDOGSVEU-SJORKVTESA-N 2 0 277.456 1.934 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426645 940690177 /nfs/dbraw/zinc/69/01/77/940690177.db2.gz JUKIKDVEWOSNJA-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211241716 940740485 /nfs/dbraw/zinc/74/04/85/940740485.db2.gz WVGJRMQNMHVMPB-INIZCTEOSA-N 2 0 291.439 1.466 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001216053467 940918611 /nfs/dbraw/zinc/91/86/11/940918611.db2.gz OEHXUROZZQQINO-HZPDHXFCSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCOc1ccccc1[C@H](C)NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220664027 941462520 /nfs/dbraw/zinc/46/25/20/941462520.db2.gz UPSLPAJCNQVEDC-GXTWGEPZSA-N 2 0 291.395 1.495 20 30 CDEDRP C=CC[C@@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1ccccc1 ZINC001221361463 941521794 /nfs/dbraw/zinc/52/17/94/941521794.db2.gz UHDDPPDCXHFEGE-HUUCEWRRSA-N 2 0 285.391 1.229 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001223846356 941702951 /nfs/dbraw/zinc/70/29/51/941702951.db2.gz GBUYEXUUFLSBDB-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001227907914 942243241 /nfs/dbraw/zinc/24/32/41/942243241.db2.gz JABGAXJKKRWEIC-HNNXBMFYSA-N 2 0 281.444 1.729 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001228053928 942263415 /nfs/dbraw/zinc/26/34/15/942263415.db2.gz LSIWGLBFRIWJOX-UHFFFAOYSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230592155 942651160 /nfs/dbraw/zinc/65/11/60/942651160.db2.gz TTZSHWKIMRNKTL-INIZCTEOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001282414164 942709004 /nfs/dbraw/zinc/70/90/04/942709004.db2.gz VSMYFPLNUHYSGE-ZIAGYGMSSA-N 2 0 269.433 1.729 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235336096 944126707 /nfs/dbraw/zinc/12/67/07/944126707.db2.gz NJLMVLSSGFEIQS-HOTGVXAUSA-N 2 0 293.455 1.826 20 30 CDEDRP CC#CCN1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235589572 944214414 /nfs/dbraw/zinc/21/44/14/944214414.db2.gz TWZUVRKPVZFAQH-GJZGRUSLSA-N 2 0 279.428 1.129 20 30 CDEDRP C=CC[NH2+]CCN1CC[NH2+]C[C@H]1Cc1ccccc1 ZINC001235847923 944296788 /nfs/dbraw/zinc/29/67/88/944296788.db2.gz OBLSOMFGENCJMH-MRXNPFEDSA-N 2 0 259.397 1.279 20 30 CDEDRP C=CC[NH2+]CCN(Cc1ccncc1)[C@@H]1CC[NH2+]C1 ZINC001236440565 944496803 /nfs/dbraw/zinc/49/68/03/944496803.db2.gz PLABINIDOORISR-OAHLLOKOSA-N 2 0 260.385 1.021 20 30 CDEDRP C=CC[NH2+]CCN(Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236664089 944539664 /nfs/dbraw/zinc/53/96/64/944539664.db2.gz ORKSEXKHFBFGQV-JCNLHEQBSA-N 2 0 288.439 1.929 20 30 CDEDRP CC(C)[NH+]1CCN(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254643666 947565247 /nfs/dbraw/zinc/56/52/47/947565247.db2.gz QPYTYYFYLVTSJP-HUUCEWRRSA-N 2 0 264.417 1.294 20 30 CDEDRP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1CC[NH2+]CC1)C2 ZINC001246158882 947998439 /nfs/dbraw/zinc/99/84/39/947998439.db2.gz VBDSNUAPJZUSFZ-HNNXBMFYSA-N 2 0 287.407 1.233 20 30 CDEDRP N#Cc1ccc(C(=[NH2+])NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246196456 948023390 /nfs/dbraw/zinc/02/33/90/948023390.db2.gz FVHWDYHPTIDMTJ-PBWFPOADSA-N 2 0 254.337 1.547 20 30 CDEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCC[NH2+]CCCC[NH3+] ZINC001246458727 948184829 /nfs/dbraw/zinc/18/48/29/948184829.db2.gz UPVURLKYQRCUBC-HNNXBMFYSA-N 2 0 288.439 1.797 20 30 CDEDRP CC[NH+](CC)CCN(CC[NH3+])C1CCC(C#N)CC1 ZINC001256957943 948463531 /nfs/dbraw/zinc/46/35/31/948463531.db2.gz NSKQENCXPNZVMA-UHFFFAOYSA-N 2 0 266.433 1.671 20 30 CDEDRP C=CC[N@H+](Cc1ccccc1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246839170 948469579 /nfs/dbraw/zinc/46/95/79/948469579.db2.gz HSXGNGDZCLKRJV-INIZCTEOSA-N 2 0 271.408 1.769 20 30 CDEDRP C#CCOC[C@@H](O)C[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001251887757 950919435 /nfs/dbraw/zinc/91/94/35/950919435.db2.gz IPSCROZTFYDWHB-CABCVRRESA-N 2 0 270.417 1.097 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]CC1CC[NH+](C2CCC2)CC1 ZINC001252495245 951368291 /nfs/dbraw/zinc/36/82/91/951368291.db2.gz LOXMFMOMOJSTAR-INIZCTEOSA-N 2 0 282.428 1.404 20 30 CDEDRP C=C[C@](C)(O)C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001252572373 951464283 /nfs/dbraw/zinc/46/42/83/951464283.db2.gz PVBDWIYLYSIYJC-KKUMJFAQSA-N 2 0 254.418 1.881 20 30 CDEDRP C=C[C@H](O)C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001253586499 951976997 /nfs/dbraw/zinc/97/69/97/951976997.db2.gz NVUVLGYTCAQXFJ-BZSNNMDCSA-N 2 0 286.419 1.987 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC001340146201 962774058 /nfs/dbraw/zinc/77/40/58/962774058.db2.gz DGIFOEUJXVZCSK-HNNXBMFYSA-N 2 0 273.380 1.590 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH+](CC(C)C)CC1 ZINC001341629673 963489223 /nfs/dbraw/zinc/48/92/23/963489223.db2.gz IOIKLTAKYLXNIF-AWEZNQCLSA-N 2 0 267.417 1.470 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001341659750 963500412 /nfs/dbraw/zinc/50/04/12/963500412.db2.gz SGKYYYXFFJTWLT-CABCVRRESA-N 2 0 279.428 1.757 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC001353468494 968000147 /nfs/dbraw/zinc/00/01/47/968000147.db2.gz DNBNIIAQNSVHOW-KGLIPLIRSA-N 2 0 267.417 1.613 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001505410584 974863918 /nfs/dbraw/zinc/86/39/18/974863918.db2.gz DCQUFIOXJXPUBE-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001507090126 975332323 /nfs/dbraw/zinc/33/23/23/975332323.db2.gz PERXTSAFUGPSPZ-LBPRGKRZSA-N 2 0 287.835 1.660 20 30 CDEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001507963120 975569314 /nfs/dbraw/zinc/56/93/14/975569314.db2.gz GMZDZLJPAOPARQ-UONOGXRCSA-N 2 0 279.428 1.224 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001397624730 975658595 /nfs/dbraw/zinc/65/85/95/975658595.db2.gz MENNPTVLOFXMOW-BETUJISGSA-N 2 0 299.846 1.565 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCC1 ZINC001402544309 976352173 /nfs/dbraw/zinc/35/21/73/976352173.db2.gz FSCJFJWALXVQOI-UHFFFAOYSA-N 2 0 299.846 1.852 20 30 CDEDRP CC#CC[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132250274 1163212627 /nfs/dbraw/zinc/21/26/27/1163212627.db2.gz ZVAMVOWOOFKAEB-HUUCEWRRSA-N 2 0 279.428 1.321 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133091901 1163568624 /nfs/dbraw/zinc/56/86/24/1163568624.db2.gz WBQHLQKNMYZSKH-CVEARBPZSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001133226559 1163608925 /nfs/dbraw/zinc/60/89/25/1163608925.db2.gz WBPYYKNMEGFNPJ-JKSUJKDBSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CC[C@@]1(C(=O)N2CCC(CC)([NH+](C)C)CC2)CCC[NH2+]1 ZINC001574517634 1170990787 /nfs/dbraw/zinc/99/07/87/1170990787.db2.gz OXDPUSSDPQTSFQ-KRWDZBQOSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C1C[NH2+]C1)C(C)C ZINC001574927011 1171052170 /nfs/dbraw/zinc/05/21/70/1171052170.db2.gz AYLDFRKLOLIRMF-CQSZACIVSA-N 2 0 265.401 1.021 20 30 CDEDRP C=CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CC1 ZINC000438998401 361788954 /nfs/dbraw/zinc/78/89/54/361788954.db2.gz IUXHVKOAEIUYEH-HZPDHXFCSA-N 2 0 293.455 1.908 20 30 CDEDRP C=CCNC(=[NH2+])NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000081781012 342373673 /nfs/dbraw/zinc/37/36/73/342373673.db2.gz DPQWAGVPAREKPJ-AWEZNQCLSA-N 2 0 274.412 1.987 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000612878832 347311444 /nfs/dbraw/zinc/31/14/44/347311444.db2.gz OBBUQAXZULPBLY-HNNXBMFYSA-N 2 0 280.416 1.078 20 30 CDEDRP C=CCNC(=[NH2+])NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264079950 362960288 /nfs/dbraw/zinc/96/02/88/362960288.db2.gz HAGZXFLRTVVZAM-MRXNPFEDSA-N 2 0 286.423 1.641 20 30 CDEDRP COCCN(CCC#N)CCCn1ccnc1C ZINC000136404575 363043326 /nfs/dbraw/zinc/04/33/26/363043326.db2.gz JCKLDNXLLHPITO-UHFFFAOYSA-N 2 0 250.346 1.444 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(C#N)c(F)c1 ZINC000567603843 358705966 /nfs/dbraw/zinc/70/59/66/358705966.db2.gz FDGCCBSQYRYSLT-UHFFFAOYSA-N 2 0 292.402 1.623 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000178769016 189144583 /nfs/dbraw/zinc/14/45/83/189144583.db2.gz ONLNBCLMVCZWJM-UHFFFAOYSA-N 2 0 273.380 1.526 20 30 CDEDRP CC[C@H](CNC(=[NH2+])Nc1ccccn1)[NH+]1CCCC1 ZINC000170912881 365162404 /nfs/dbraw/zinc/16/24/04/365162404.db2.gz OWCNYNLZUMEDCL-GFCCVEGCSA-N 2 0 261.373 1.683 20 30 CDEDRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000361430867 368817534 /nfs/dbraw/zinc/81/75/34/368817534.db2.gz BGNHZWOPGSLDAK-HUUCEWRRSA-N 2 0 279.428 1.894 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC000989800300 684877826 /nfs/dbraw/zinc/87/78/26/684877826.db2.gz QIUKVGRTACPLNJ-OLZOCXBDSA-N 2 0 285.819 1.414 20 30 CDEDRP C[C@H]1CCC[N@H+](CCCCNC2=[NH+]CCCN2)C1 ZINC000341607784 373824858 /nfs/dbraw/zinc/82/48/58/373824858.db2.gz BRRGCHYUQNRGPL-ZDUSSCGKSA-N 2 0 252.406 1.437 20 30 CDEDRP CC[NH+]1CCN(CCC[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000075800635 374199233 /nfs/dbraw/zinc/19/92/33/374199233.db2.gz AGVNMZVDLZPALO-UHFFFAOYSA-N 2 0 286.423 1.675 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000572047397 377683773 /nfs/dbraw/zinc/68/37/73/377683773.db2.gz FUKZDJCSRKOKED-UHFFFAOYSA-N 2 0 274.412 1.483 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000417521555 377818592 /nfs/dbraw/zinc/81/85/92/377818592.db2.gz FNTXGUUARKGRAC-MRXNPFEDSA-N 2 0 294.443 1.326 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639144159 378791779 /nfs/dbraw/zinc/79/17/79/378791779.db2.gz HFZQQAYURHOKNJ-ZBFHGGJFSA-N 2 0 296.455 1.793 20 30 CDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000449546780 390904701 /nfs/dbraw/zinc/90/47/01/390904701.db2.gz DTECKCHXFNFQDU-VIRABCJISA-N 2 0 250.386 1.935 20 30 CDEDRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000352484121 391155511 /nfs/dbraw/zinc/15/55/11/391155511.db2.gz LRMOCJDSSWFXMJ-UHFFFAOYSA-N 2 0 296.434 1.730 20 30 CDEDRP CC[NH+]1CCN(CCC[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442712023 391732734 /nfs/dbraw/zinc/73/27/34/391732734.db2.gz FYZOATYEWHXFMB-GJZGRUSLSA-N 2 0 264.417 1.296 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCc2ccccc2C[NH+]2CCCC2)N1 ZINC000262661039 391808395 /nfs/dbraw/zinc/80/83/95/391808395.db2.gz MXPOIKVOJUSGCH-CYBMUJFWSA-N 2 0 272.396 1.720 20 30 CDEDRP C[C@@H]1C[NH+]=C(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)N1 ZINC000262685701 391812957 /nfs/dbraw/zinc/81/29/57/391812957.db2.gz YIFJCTGQSHYDLM-OLZOCXBDSA-N 2 0 292.452 1.897 20 30 CDEDRP C[NH2+]C[C@H](C)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423284362 392959998 /nfs/dbraw/zinc/95/99/98/392959998.db2.gz YFKDRLTXVIVZDN-AWEZNQCLSA-N 2 0 286.423 1.972 20 30 CDEDRP C=CCNC(=[NH2+])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000195522353 262251727 /nfs/dbraw/zinc/25/17/27/262251727.db2.gz SPFNFPRCHRSWEV-UHFFFAOYSA-N 2 0 272.396 1.873 20 30 CDEDRP CCNC(=[NH2+])NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264082377 262866487 /nfs/dbraw/zinc/86/64/87/262866487.db2.gz HXBZPTHDOLTANR-OAHLLOKOSA-N 2 0 274.412 1.475 20 30 CDEDRP C[N@@H+]1CCN(CCNC(=[NH2+])Nc2ccccc2)CC1(C)C ZINC000281770373 263072016 /nfs/dbraw/zinc/07/20/16/263072016.db2.gz MDWQJCXFCKQWOC-UHFFFAOYSA-N 2 0 289.427 1.439 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000417527870 264415735 /nfs/dbraw/zinc/41/57/35/264415735.db2.gz OAFIPRXIMXURIN-HIFRSBDPSA-N 2 0 294.443 1.406 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)C(C)C ZINC000357168178 266259373 /nfs/dbraw/zinc/25/93/73/266259373.db2.gz BFYRSDTWFLYFMX-HOCLYGCPSA-N 2 0 293.455 1.657 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000334910991 277775330 /nfs/dbraw/zinc/77/53/30/277775330.db2.gz QHNNLGDEZSFZRT-UONOGXRCSA-N 2 0 294.443 1.419 20 30 CDEDRP C[C@@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)N1CC[NH+](C)CC1 ZINC000353428286 278285601 /nfs/dbraw/zinc/28/56/01/278285601.db2.gz RFQVBOGGKCIAKY-KBXCAEBGSA-N 2 0 298.434 1.771 20 30 CDEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000340598865 328295677 /nfs/dbraw/zinc/29/56/77/328295677.db2.gz ASGQJUVZAGGZGN-CQSZACIVSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC000171714506 329078759 /nfs/dbraw/zinc/07/87/59/329078759.db2.gz UDPCYDLBIHVGTD-UHFFFAOYSA-N 2 0 253.390 1.093 20 30 CDEDRP CC(C)C[N@@H+]1CC[C@@H](C[NH+]=C(N(C)C)N(C)C)C1 ZINC000262340870 330006896 /nfs/dbraw/zinc/00/68/96/330006896.db2.gz COMBGEUNWOKIDN-ZDUSSCGKSA-N 2 0 254.422 1.444 20 30 CDEDRP C=CC[NH+]1CCC(N[C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422861790 330157978 /nfs/dbraw/zinc/15/79/78/330157978.db2.gz OZRPNIFITHOFSS-CABCVRRESA-N 2 0 251.418 1.886 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000423372993 330195169 /nfs/dbraw/zinc/19/51/69/330195169.db2.gz GOAZJINXQGWSOR-OCCSQVGLSA-N 2 0 267.417 1.372 20 30 CDEDRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]([NH3+])CCCC#N ZINC000424170539 330310749 /nfs/dbraw/zinc/31/07/49/330310749.db2.gz BHLKGXQFSXPNNQ-TZMCWYRMSA-N 2 0 280.416 1.196 20 30 CDEDRP CC(C)[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)N1CC[NH+](C)CC1 ZINC000442723094 330780790 /nfs/dbraw/zinc/78/07/90/330780790.db2.gz WTWUDDLVOQGFMR-JYJNAYRXSA-N 2 0 278.444 1.540 20 30 CDEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCC(C)(C)C#N)CC1 ZINC000451988703 331049541 /nfs/dbraw/zinc/04/95/41/331049541.db2.gz PIJRCTTZGCVVIJ-UHFFFAOYSA-N 2 0 280.460 1.932 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000458339623 331249483 /nfs/dbraw/zinc/24/94/83/331249483.db2.gz SUDCIPWJWAICMR-UHFFFAOYSA-N 2 0 282.432 1.276 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000491666862 332275316 /nfs/dbraw/zinc/27/53/16/332275316.db2.gz QXWMRFYXPRYGTH-UHFFFAOYSA-N 2 0 296.459 1.361 20 30 CDEDRP C#CCN(C)CCC[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC000491807830 332360927 /nfs/dbraw/zinc/36/09/27/332360927.db2.gz TWYTXBFTIDDJGY-WBVHZDCISA-N 2 0 274.408 1.696 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000491813100 332365143 /nfs/dbraw/zinc/36/51/43/332365143.db2.gz PXLWZYWHYQAJNQ-OAHLLOKOSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CCCCC[C@@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000579220588 335722538 /nfs/dbraw/zinc/72/25/38/335722538.db2.gz JSYNQJIUFYWIDM-CYBMUJFWSA-N 2 0 253.390 1.143 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001754824526 1159467689 /nfs/dbraw/zinc/46/76/89/1159467689.db2.gz CHVLEXJJZROMOZ-CVEARBPZSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001753053349 1185024034 /nfs/dbraw/zinc/02/40/34/1185024034.db2.gz ORWCTBKVBCMLRZ-ZDUSSCGKSA-N 2 0 253.390 1.095 20 30 CDEDRP C#CC[N@H+](CCC)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001753144994 1185083204 /nfs/dbraw/zinc/08/32/04/1185083204.db2.gz QGFNTEIAQSTYDJ-OAHLLOKOSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000334905466 526429890 /nfs/dbraw/zinc/42/98/90/526429890.db2.gz AOAJQOHEEALQKL-UHFFFAOYSA-N 2 0 280.416 1.030 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000764495392 575916092 /nfs/dbraw/zinc/91/60/92/575916092.db2.gz SUUNAKPVWLHGGS-UHFFFAOYSA-N 2 0 267.417 1.341 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC000970452909 612962779 /nfs/dbraw/zinc/96/27/79/612962779.db2.gz LKQJEKJGVIRPQW-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974604089 613031970 /nfs/dbraw/zinc/03/19/70/613031970.db2.gz FCQOTCJWRPMUPK-RBSFLKMASA-N 2 0 291.439 1.177 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000971521858 613092929 /nfs/dbraw/zinc/09/29/29/613092929.db2.gz FFFJWOJUBXJGMO-LSDHHAIUSA-N 2 0 277.412 1.025 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000968737731 613348876 /nfs/dbraw/zinc/34/88/76/613348876.db2.gz FWIMDQKVZKIRFL-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000970795202 613385357 /nfs/dbraw/zinc/38/53/57/613385357.db2.gz ANPSZTYSUIPJMB-ZIAGYGMSSA-N 2 0 299.846 1.804 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000890880058 617344448 /nfs/dbraw/zinc/34/44/48/617344448.db2.gz OVMXMJUHMRRADF-AWEZNQCLSA-N 2 0 279.428 1.130 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000948858625 613503020 /nfs/dbraw/zinc/50/30/20/613503020.db2.gz MQEJULXMRVHLRP-HNNXBMFYSA-N 2 0 279.428 1.581 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948039183 613520695 /nfs/dbraw/zinc/52/06/95/613520695.db2.gz DZMGZJPCHNGOEW-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974604751 613554545 /nfs/dbraw/zinc/55/45/45/613554545.db2.gz JZZYGMNWHXXSSX-KFWWJZLASA-N 2 0 293.455 1.729 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968149885 613572023 /nfs/dbraw/zinc/57/20/23/613572023.db2.gz GFKHDJHNUYXRHJ-ZBFHGGJFSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000980476538 613614667 /nfs/dbraw/zinc/61/46/67/613614667.db2.gz SNDXUVXLJTZIPS-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000943755335 613742949 /nfs/dbraw/zinc/74/29/49/613742949.db2.gz CCEKPBOPDDWBAO-JKSUJKDBSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944152211 613779975 /nfs/dbraw/zinc/77/99/75/613779975.db2.gz CCGFFGRRWSUSDF-KGLIPLIRSA-N 2 0 277.412 1.095 20 30 CDEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2cccc(OC)c2)C1 ZINC000104172340 617483564 /nfs/dbraw/zinc/48/35/64/617483564.db2.gz AFMHOUKGGPELIF-LBPRGKRZSA-N 2 0 276.384 1.764 20 30 CDEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2cccc(OC)c2)C1 ZINC000104172336 617483781 /nfs/dbraw/zinc/48/37/81/617483781.db2.gz AFMHOUKGGPELIF-GFCCVEGCSA-N 2 0 276.384 1.764 20 30 CDEDRP COc1ccc(NC(=[NH2+])NCC(C)(C)[NH+](C)C)cc1OC ZINC000104155038 617617046 /nfs/dbraw/zinc/61/70/46/617617046.db2.gz PGBXNNCVTMVSFF-UHFFFAOYSA-N 2 0 294.399 1.771 20 30 CDEDRP CCN(CC)C(=[NH2+])NCC(C)(C)[NH+]1CCCCC1 ZINC000104155069 617617195 /nfs/dbraw/zinc/61/71/95/617617195.db2.gz FGDAMXSNBFEKFG-UHFFFAOYSA-N 2 0 254.422 1.907 20 30 CDEDRP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000924966224 618481021 /nfs/dbraw/zinc/48/10/21/618481021.db2.gz QMKVKFPKDQGPPY-KGLIPLIRSA-N 2 0 266.433 1.540 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000911726219 629443684 /nfs/dbraw/zinc/44/36/84/629443684.db2.gz RTISKHSMFXUBEV-XQQFMLRXSA-N 2 0 253.390 1.174 20 30 CDEDRP C#CCN1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000886208918 684336014 /nfs/dbraw/zinc/33/60/14/684336014.db2.gz ADRUMHDXTNULGQ-JYJNAYRXSA-N 2 0 261.413 1.300 20 30 CDEDRP CCN(CC)C(=[NH2+])NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000303783248 685340756 /nfs/dbraw/zinc/34/07/56/685340756.db2.gz ODHJLCPUQPFLFW-BETUJISGSA-N 2 0 284.448 1.531 20 30 CDEDRP CCCC1(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000305098315 685469805 /nfs/dbraw/zinc/46/98/05/685469805.db2.gz WOXWRGHMWCAFGX-ZDUSSCGKSA-N 2 0 266.433 1.955 20 30 CDEDRP C=C(Cl)CN1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023744746 685623631 /nfs/dbraw/zinc/62/36/31/685623631.db2.gz UNJQDQSVIJITCE-ZIAGYGMSSA-N 2 0 299.846 1.519 20 30 CDEDRP C=CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001038264057 684369446 /nfs/dbraw/zinc/36/94/46/684369446.db2.gz YNZXRQWWPPIOCH-HZSPNIEDSA-N 2 0 265.401 1.093 20 30 CDEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000985638587 684381707 /nfs/dbraw/zinc/38/17/07/684381707.db2.gz QBHHLWHRYQGPGA-OAHLLOKOSA-N 2 0 279.428 1.129 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000996861077 684415459 /nfs/dbraw/zinc/41/54/59/684415459.db2.gz YPOAABRJOXXEDE-INIZCTEOSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001046318263 684462923 /nfs/dbraw/zinc/46/29/23/684462923.db2.gz WRWRLTZAAOIORC-DOTOQJQBSA-N 2 0 291.439 1.463 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001044859021 684473684 /nfs/dbraw/zinc/47/36/84/684473684.db2.gz YWTPYSQVWVAQMI-KBPBESRZSA-N 2 0 299.846 1.804 20 30 CDEDRP C[C@@H]1CCCN(C(=[NH2+])NCCCN2CCC[N@H+](C)CC2)C1 ZINC000303973463 684489718 /nfs/dbraw/zinc/48/97/18/684489718.db2.gz GXUHQGMQYZPSMM-OAHLLOKOSA-N 2 0 295.475 1.061 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000997950695 684636841 /nfs/dbraw/zinc/63/68/41/684636841.db2.gz SDEYCGVAMMBFSK-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031729745 684691940 /nfs/dbraw/zinc/69/19/40/684691940.db2.gz SMYKZADDUMCHLS-INIZCTEOSA-N 2 0 293.455 1.588 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000820847071 684781768 /nfs/dbraw/zinc/78/17/68/684781768.db2.gz QEYSQUIDYHNQQQ-UHFFFAOYSA-N 2 0 286.423 1.727 20 30 CDEDRP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001050119770 684819479 /nfs/dbraw/zinc/81/94/79/684819479.db2.gz MFUXEVGMEBZBCQ-HRCADAONSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CCC[N@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023572738 684827195 /nfs/dbraw/zinc/82/71/95/684827195.db2.gz MDMHHTLBHTVLAA-OAHLLOKOSA-N 2 0 293.455 1.733 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(CCOC)CC1 ZINC000305187365 684895691 /nfs/dbraw/zinc/89/56/91/684895691.db2.gz XMSTXEZQLMZHTC-CYBMUJFWSA-N 2 0 282.432 1.192 20 30 CDEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001042731341 684911797 /nfs/dbraw/zinc/91/17/97/684911797.db2.gz IKKMHOLKWNWJGU-INIZCTEOSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049902998 684996365 /nfs/dbraw/zinc/99/63/65/684996365.db2.gz WDIOYUWMDPONFG-HUUCEWRRSA-N 2 0 277.412 1.334 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023572737 685030574 /nfs/dbraw/zinc/03/05/74/685030574.db2.gz MDMHHTLBHTVLAA-HNNXBMFYSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001049557626 685703989 /nfs/dbraw/zinc/70/39/89/685703989.db2.gz JNSOVNFQDHSQHW-XHSDSOJGSA-N 2 0 291.439 1.722 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001036294516 685719285 /nfs/dbraw/zinc/71/92/85/685719285.db2.gz RWVLOCARUMXZLG-JSGCOSHPSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001054240160 685739353 /nfs/dbraw/zinc/73/93/53/685739353.db2.gz NRMDSURWPUJILU-NVXWUHKLSA-N 2 0 291.439 1.439 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC001033683478 685811373 /nfs/dbraw/zinc/81/13/73/685811373.db2.gz HIPNZLMWWZCGAU-INIZCTEOSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001036113943 685918106 /nfs/dbraw/zinc/91/81/06/685918106.db2.gz VUFIBDZYLCKQNT-CZUORRHYSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000996728560 685936862 /nfs/dbraw/zinc/93/68/62/685936862.db2.gz KZVXZTZDRMZGSN-CQSZACIVSA-N 2 0 265.401 1.237 20 30 CDEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001072854156 685948270 /nfs/dbraw/zinc/94/82/70/685948270.db2.gz FMNQVKIISSHCAE-OAHLLOKOSA-N 2 0 289.423 1.028 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995552750 685950896 /nfs/dbraw/zinc/95/08/96/685950896.db2.gz RQGJDLLHNNRZKA-OLZOCXBDSA-N 2 0 299.846 1.660 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049696133 685965090 /nfs/dbraw/zinc/96/50/90/685965090.db2.gz XRQYJGSMHWZBOX-JKSUJKDBSA-N 2 0 291.439 1.580 20 30 CDEDRP C[C@@H](CNC(=[NH2+])N(C)C1CC1)C[NH+]1CCCCC1 ZINC000305817497 685968606 /nfs/dbraw/zinc/96/86/06/685968606.db2.gz MWHNLABYTFXOGZ-LBPRGKRZSA-N 2 0 252.406 1.517 20 30 CDEDRP CC1CC[NH+](CCNC(=[NH2+])NCCc2ccccc2)CC1 ZINC000303876147 686036372 /nfs/dbraw/zinc/03/63/72/686036372.db2.gz DRHBYYILDIVHRY-UHFFFAOYSA-N 2 0 288.439 1.865 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033828266 686073772 /nfs/dbraw/zinc/07/37/72/686073772.db2.gz NXDXLOLMQKJEDP-HOTGVXAUSA-N 2 0 293.455 1.968 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028779105 686161943 /nfs/dbraw/zinc/16/19/43/686161943.db2.gz UUAQJXLEXYBDGW-AWEZNQCLSA-N 2 0 279.428 1.342 20 30 CDEDRP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052937869 686502588 /nfs/dbraw/zinc/50/25/88/686502588.db2.gz OFCAOXHRXXQRBG-AWEZNQCLSA-N 2 0 299.846 1.805 20 30 CDEDRP C=CC[NH+]1CCC(N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925547685 686829543 /nfs/dbraw/zinc/82/95/43/686829543.db2.gz CMGHKNHGECTCKI-AMSCCUFHSA-N 2 0 261.413 1.223 20 30 CDEDRP C[NH+]=C(NC[C@]1([NH+](C)C)CCC[C@H](C)C1)NC1CC1 ZINC000303387432 686937464 /nfs/dbraw/zinc/93/74/64/686937464.db2.gz BHLWRTWVJNMTDT-WFASDCNBSA-N 2 0 266.433 1.824 20 30 CDEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001035669481 686997355 /nfs/dbraw/zinc/99/73/55/686997355.db2.gz RQEFNLSQMYHJKB-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C[NH+](C)CC1(CNC(=[NH2+])N2CCCCC2)CCCC1 ZINC000305816282 686999973 /nfs/dbraw/zinc/99/99/73/686999973.db2.gz MIDRUPSWEFKGHO-UHFFFAOYSA-N 2 0 266.433 1.909 20 30 CDEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000985500189 687012866 /nfs/dbraw/zinc/01/28/66/687012866.db2.gz CJVHSWCFARLEDN-HNNXBMFYSA-N 2 0 277.412 1.027 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001022809429 687081436 /nfs/dbraw/zinc/08/14/36/687081436.db2.gz LUURQTYPBGYFPJ-OKILXGFUSA-N 2 0 265.401 1.141 20 30 CDEDRP C#CC[NH2+]C1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001026522803 687350891 /nfs/dbraw/zinc/35/08/91/687350891.db2.gz XNXJXNNYVBJUJP-UHFFFAOYSA-N 2 0 296.374 1.598 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000923297997 687664209 /nfs/dbraw/zinc/66/42/09/687664209.db2.gz QMQHYGBDFNTFJZ-CYBMUJFWSA-N 2 0 256.390 1.143 20 30 CDEDRP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000886577294 687680804 /nfs/dbraw/zinc/68/08/04/687680804.db2.gz CRCYHUASSYMKCV-GJZGRUSLSA-N 2 0 291.439 1.273 20 30 CDEDRP CCCC[N@H+](C)CCNC(=[NH2+])N1CCSCC1 ZINC000304748703 688116549 /nfs/dbraw/zinc/11/65/49/688116549.db2.gz HHIDEJRDJOBLHS-UHFFFAOYSA-N 2 0 258.435 1.082 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130709244 1162697769 /nfs/dbraw/zinc/69/77/69/1162697769.db2.gz XZHZJNYESWFYIT-AWEZNQCLSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)C[C@H](C)n2ccnc2)CC1 ZINC001167354722 1158636060 /nfs/dbraw/zinc/63/60/60/1158636060.db2.gz WVKXFEVIQAAGHX-AWEZNQCLSA-N 2 0 288.395 1.344 20 30 CDEDRP C#CCOc1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)cc1 ZINC001222537902 1159640947 /nfs/dbraw/zinc/64/09/47/1159640947.db2.gz IFYVCIZNGFHSHW-UHFFFAOYSA-N 2 0 276.355 1.961 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001481439290 1159699545 /nfs/dbraw/zinc/69/95/45/1159699545.db2.gz UGDJJUNCQYMWIE-LSDHHAIUSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132153465 1163182412 /nfs/dbraw/zinc/18/24/12/1163182412.db2.gz QWBNIZXMNMPNLZ-GJZGRUSLSA-N 2 0 293.455 1.709 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132423889 1163276762 /nfs/dbraw/zinc/27/67/62/1163276762.db2.gz CPUIQZKWAJJMRK-CABCVRRESA-N 2 0 297.443 1.110 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133850929 1163923904 /nfs/dbraw/zinc/92/39/04/1163923904.db2.gz RSGBAHIKXYKOSY-OAHLLOKOSA-N 2 0 285.407 1.481 20 30 CDEDRP C[NH+](C)CCCC[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000045697019 1166275397 /nfs/dbraw/zinc/27/53/97/1166275397.db2.gz MCRBJUBOSDFGAN-HNNXBMFYSA-N 2 0 291.395 1.229 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001121784956 1167023436 /nfs/dbraw/zinc/02/34/36/1167023436.db2.gz NQCUVMYAAJMKQW-JNJRBNHSSA-N 2 0 279.428 1.530 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001155289746 1167115340 /nfs/dbraw/zinc/11/53/40/1167115340.db2.gz WVYSCBLGCYGUCA-KGLIPLIRSA-N 2 0 267.417 1.177 20 30 CDEDRP C#CCN(CCNC(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC001574666707 1170999138 /nfs/dbraw/zinc/99/91/38/1170999138.db2.gz DXPKEMAEJSMQHH-UHFFFAOYSA-N 2 0 281.400 1.198 20 30 CDEDRP C#CC[NH2+]CC(=O)N1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001574729868 1171000618 /nfs/dbraw/zinc/00/06/18/1171000618.db2.gz RVDFGJOIMPQHLQ-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCN(C)CC[N@@H+](CC)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC001574920914 1171049421 /nfs/dbraw/zinc/04/94/21/1171049421.db2.gz MZKAUBASGIRNRC-CVEARBPZSA-N 2 0 281.444 1.195 20 30 CDEDRP C=C(C)C[NH+](C)CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001752060485 1184815833 /nfs/dbraw/zinc/81/58/33/1184815833.db2.gz TXJFXYBPTFZQIK-AWEZNQCLSA-N 2 0 267.417 1.342 20 30 CDEDRP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)CC[N@@H+](C)CC ZINC001753037243 1185004420 /nfs/dbraw/zinc/00/44/20/1185004420.db2.gz LYXQIOFNLHASEB-INIZCTEOSA-N 2 0 293.455 1.712 20 30 CDEDRP C=C(C)CC[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001753049553 1185018880 /nfs/dbraw/zinc/01/88/80/1185018880.db2.gz HVHFMDIVRXBRRH-OAHLLOKOSA-N 2 0 279.428 1.342 20 30 CDEDRP C=C(C)C[NH2+]CCN(CC)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001754084608 1185453405 /nfs/dbraw/zinc/45/34/05/1185453405.db2.gz KGJWXKRGCZBIDK-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001754337347 1185586768 /nfs/dbraw/zinc/58/67/68/1185586768.db2.gz UPBBLEVRFGEVLJ-CABCVRRESA-N 2 0 279.428 1.321 20 30 CDEDRP CC#CC[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001755135343 1185827452 /nfs/dbraw/zinc/82/74/52/1185827452.db2.gz LVEURCXPMSZLFK-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001755165951 1185837510 /nfs/dbraw/zinc/83/75/10/1185837510.db2.gz UQYUBBJLTDDNOV-KGLIPLIRSA-N 2 0 267.417 1.482 20 30 CDEDRP C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001755267505 1185883797 /nfs/dbraw/zinc/88/37/97/1185883797.db2.gz BLOJJVRLXPVWEU-ZIAGYGMSSA-N 2 0 269.433 1.776 20 30 CDEDRP C#CC[NH+](C)[C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001755316131 1185912633 /nfs/dbraw/zinc/91/26/33/1185912633.db2.gz DPUKHXWMIUUZGE-CZUORRHYSA-N 2 0 297.418 1.269 20 30 CDEDRP C#CCC[NH+](C)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001755530448 1185981894 /nfs/dbraw/zinc/98/18/94/1185981894.db2.gz DORWYHMXLBACAA-UHFFFAOYSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001755562666 1185992069 /nfs/dbraw/zinc/99/20/69/1185992069.db2.gz SNKOUDQPGSQFQO-ARFHVFGLSA-N 2 0 291.439 1.177 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001755748665 1186056627 /nfs/dbraw/zinc/05/66/27/1186056627.db2.gz YALCVAROCZPBLY-HUUCEWRRSA-N 2 0 279.428 1.226 20 30 CDEDRP C#CC[NH2+]CC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382766725 1187265013 /nfs/dbraw/zinc/26/50/13/1187265013.db2.gz WACJJWZMILJOBI-QGZVFWFLSA-N 2 0 299.418 1.190 20 30 CDEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001154000985 1165841814 /nfs/dbraw/zinc/84/18/14/1165841814.db2.gz NMCAGTDKGHWZQJ-HUUCEWRRSA-N 2 0 299.459 1.356 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001089038670 912516736 /nfs/dbraw/zinc/51/67/36/912516736.db2.gz GRTJRNFTHWSAOC-KFWWJZLASA-N 2 0 279.428 1.483 20 30 CDEDRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(C#N)nc2)CC1 ZINC001206310768 915074322 /nfs/dbraw/zinc/07/43/22/915074322.db2.gz BXMKWMVSCWUDCO-HNNXBMFYSA-N 2 0 258.369 1.904 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001175317194 913540397 /nfs/dbraw/zinc/54/03/97/913540397.db2.gz MTYQXUUSXYSRNV-KBPBESRZSA-N 2 0 267.417 1.224 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001106272008 913762263 /nfs/dbraw/zinc/76/22/63/913762263.db2.gz QAVVMBLNENQHJE-BZUAXINKSA-N 2 0 291.439 1.178 20 30 CDEDRP C[NH+](C)CCN(CCc1ccc(C#N)cc1)CC[NH+](C)C ZINC001208925967 894397233 /nfs/dbraw/zinc/39/72/33/894397233.db2.gz AGUSEEPIOYIUPG-UHFFFAOYSA-N 2 0 288.439 1.526 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001266353089 894516213 /nfs/dbraw/zinc/51/62/13/894516213.db2.gz OCUFPLRCPOFZPR-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001209474633 894746647 /nfs/dbraw/zinc/74/66/47/894746647.db2.gz IEGBJXLWDZVRDB-HUUCEWRRSA-N 2 0 279.428 1.177 20 30 CDEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206927813 894942090 /nfs/dbraw/zinc/94/20/90/894942090.db2.gz RMZIGXZNJAPPFW-AWEZNQCLSA-N 2 0 299.846 1.519 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001104290522 895423075 /nfs/dbraw/zinc/42/30/75/895423075.db2.gz BHRKSLQAEILPAM-FVQBIDKESA-N 2 0 293.455 1.587 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356812 914043758 /nfs/dbraw/zinc/04/37/58/914043758.db2.gz OFGWSOXMFWXUBI-HNNXBMFYSA-N 2 0 291.439 1.370 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001104676715 898873646 /nfs/dbraw/zinc/87/36/46/898873646.db2.gz VGVMOMTYQNTCON-OWCLPIDISA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001482236258 904024165 /nfs/dbraw/zinc/02/41/65/904024165.db2.gz CIKKPXQKBTVRRA-CYBMUJFWSA-N 2 0 299.846 1.709 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H]1CC ZINC001087726247 905795601 /nfs/dbraw/zinc/79/56/01/905795601.db2.gz YANKQGJXFZTPKT-HRCADAONSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001088327641 906903563 /nfs/dbraw/zinc/90/35/63/906903563.db2.gz SODKEQIIGYXNNH-CVEARBPZSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127082310 911316742 /nfs/dbraw/zinc/31/67/42/911316742.db2.gz PJBXXQJVNFMZNZ-CQSZACIVSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105941968 911762065 /nfs/dbraw/zinc/76/20/65/911762065.db2.gz SLMGFQLERHPAOC-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[NH+]1CCCCC1 ZINC000691601330 915685298 /nfs/dbraw/zinc/68/52/98/915685298.db2.gz LILFJDAKQWSGAJ-ZIAGYGMSSA-N 2 0 280.416 1.388 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001178990298 915717282 /nfs/dbraw/zinc/71/72/82/915717282.db2.gz QUOWPXQHDAAYGC-SOUVJXGZSA-N 2 0 281.444 1.872 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179439672 915833993 /nfs/dbraw/zinc/83/39/93/915833993.db2.gz VYCRLLVOIHWJNK-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001179498936 915863076 /nfs/dbraw/zinc/86/30/76/915863076.db2.gz JEBXTRVRCJXRLN-MRXNPFEDSA-N 2 0 295.471 1.862 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180131594 916148135 /nfs/dbraw/zinc/14/81/35/916148135.db2.gz HRDUUVOWHTYNHF-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151096994 917736385 /nfs/dbraw/zinc/73/63/85/917736385.db2.gz ISGXPOVTYBGEQH-CYBMUJFWSA-N 2 0 253.390 1.143 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)NCC[C@H]1CCC[N@H+]1C ZINC001183086021 918280136 /nfs/dbraw/zinc/28/01/36/918280136.db2.gz NWRFYJNJRRVTIJ-CQSZACIVSA-N 2 0 265.401 1.239 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996608893 918317450 /nfs/dbraw/zinc/31/74/50/918317450.db2.gz HUTHXPYXLFXFNO-KBPBESRZSA-N 2 0 279.428 1.341 20 30 CDEDRP C#CCC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCCC1 ZINC001115707933 918955917 /nfs/dbraw/zinc/95/59/17/918955917.db2.gz FJRMXXHBIOAVNN-UHFFFAOYSA-N 2 0 279.428 1.370 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C1CCC1 ZINC001032448503 919143181 /nfs/dbraw/zinc/14/31/81/919143181.db2.gz QTYAUTOBDPCUSN-HOTGVXAUSA-N 2 0 291.439 1.722 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001184609327 919214756 /nfs/dbraw/zinc/21/47/56/919214756.db2.gz MBBWMOYKDTUUSW-OAHLLOKOSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1C ZINC001185335166 919556268 /nfs/dbraw/zinc/55/62/68/919556268.db2.gz APMXXWPJOHRGJX-LSDHHAIUSA-N 2 0 281.444 1.588 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187241300 920423600 /nfs/dbraw/zinc/42/36/00/920423600.db2.gz VXZVSTCANLXTGH-CYBMUJFWSA-N 2 0 287.835 1.661 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001202983736 936658874 /nfs/dbraw/zinc/65/88/74/936658874.db2.gz OKWSGKZIUTUSPL-INIZCTEOSA-N 2 0 293.455 1.567 20 30 CDEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190084498 921835338 /nfs/dbraw/zinc/83/53/38/921835338.db2.gz OMHVKDFGIAYTLI-CVEARBPZSA-N 2 0 291.439 1.415 20 30 CDEDRP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001190492199 922047827 /nfs/dbraw/zinc/04/78/27/922047827.db2.gz QEFDRHFTSGDNQQ-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CCC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001191030526 922361659 /nfs/dbraw/zinc/36/16/59/922361659.db2.gz URXSWUXOGJSUHZ-AWEZNQCLSA-N 2 0 279.428 1.273 20 30 CDEDRP CC#CC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001190996250 922362930 /nfs/dbraw/zinc/36/29/30/922362930.db2.gz BQLPXQYAIYMJIK-CQSZACIVSA-N 2 0 279.428 1.273 20 30 CDEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191145615 922444593 /nfs/dbraw/zinc/44/45/93/922444593.db2.gz XJTUCMJEFFNLOG-HNNXBMFYSA-N 2 0 289.423 1.171 20 30 CDEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001192198996 922943392 /nfs/dbraw/zinc/94/33/92/922943392.db2.gz XIMOPDKQHAZNQD-HUUCEWRRSA-N 2 0 279.428 1.129 20 30 CDEDRP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001192550730 923125400 /nfs/dbraw/zinc/12/54/00/923125400.db2.gz LAYYVRHDTCOOOY-HIFRSBDPSA-N 2 0 290.411 1.840 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192948194 923332365 /nfs/dbraw/zinc/33/23/65/923332365.db2.gz PYTDKLWINFMWTO-AWEZNQCLSA-N 2 0 267.417 1.437 20 30 CDEDRP C[C@H]1CC[N@H+](Cc2ccnc(C#N)c2)CC[C@@H]1C[NH3+] ZINC001205651361 924057701 /nfs/dbraw/zinc/05/77/01/924057701.db2.gz CZCRKCBCYIHUCQ-GXTWGEPZSA-N 2 0 258.369 1.760 20 30 CDEDRP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001194266701 924140598 /nfs/dbraw/zinc/14/05/98/924140598.db2.gz YSSTYGOLGZSRNL-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP N#Cc1cccc(CCC[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205664889 924224614 /nfs/dbraw/zinc/22/46/14/924224614.db2.gz PHIPZXKBYBZBJM-QGZVFWFLSA-N 2 0 287.407 1.667 20 30 CDEDRP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001079849094 924443368 /nfs/dbraw/zinc/44/33/68/924443368.db2.gz NTIYMYPVDFOGMB-BZUAXINKSA-N 2 0 291.439 1.319 20 30 CDEDRP C#Cc1cccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205688328 924478478 /nfs/dbraw/zinc/47/84/78/924478478.db2.gz FUXJWYKAWCNRIN-MRXNPFEDSA-N 2 0 258.365 1.344 20 30 CDEDRP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001195268251 924515932 /nfs/dbraw/zinc/51/59/32/924515932.db2.gz RIEDXUALUGLIAE-HNNXBMFYSA-N 2 0 279.428 1.581 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001196341460 924875687 /nfs/dbraw/zinc/87/56/87/924875687.db2.gz PLVFPNADPKHFNU-UHFFFAOYSA-N 2 0 281.444 1.827 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCCCCC)CC1 ZINC001152330228 925115134 /nfs/dbraw/zinc/11/51/34/925115134.db2.gz JOSZTQSSHBCAJT-UHFFFAOYSA-N 2 0 293.455 1.618 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001085149157 925689152 /nfs/dbraw/zinc/68/91/52/925689152.db2.gz FDLXQMIEFPPAMF-MCIONIFRSA-N 2 0 265.401 1.284 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001085149158 925690153 /nfs/dbraw/zinc/69/01/53/925690153.db2.gz FDLXQMIEFPPAMF-MGPQQGTHSA-N 2 0 265.401 1.284 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)CCc2ncc[nH]2)[C@H](C)C1 ZINC001101927887 937028129 /nfs/dbraw/zinc/02/81/29/937028129.db2.gz PSXQZEGQKDCEDC-ZIAGYGMSSA-N 2 0 290.411 1.603 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201259539 926246077 /nfs/dbraw/zinc/24/60/77/926246077.db2.gz BCTGIUHGJHZDRJ-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102782677 937088266 /nfs/dbraw/zinc/08/82/66/937088266.db2.gz OODJHFAVMIMEAO-RBSFLKMASA-N 2 0 279.428 1.341 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086106538 926712573 /nfs/dbraw/zinc/71/25/73/926712573.db2.gz NMQUQBHCYMWWNN-OAGGEKHMSA-N 2 0 291.439 1.082 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001161226616 937140527 /nfs/dbraw/zinc/14/05/27/937140527.db2.gz LHXCREGDWPLSHV-UHFFFAOYSA-N 2 0 255.406 1.389 20 30 CDEDRP C[C@@]1(C#N)CC[N@@H+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256696879 937182904 /nfs/dbraw/zinc/18/29/04/937182904.db2.gz OROYKIGHSOIJME-GPANFISMSA-N 2 0 277.412 1.865 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+](CC)CC)C2 ZINC001108784167 928634940 /nfs/dbraw/zinc/63/49/40/928634940.db2.gz KZNHNCMHKCVXEA-XHSDSOJGSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001112585982 929203529 /nfs/dbraw/zinc/20/35/29/929203529.db2.gz BXOZJCGHZCJXJO-RDJZCZTQSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001112911815 929557944 /nfs/dbraw/zinc/55/79/44/929557944.db2.gz YDFURISFMAWXGT-HNNXBMFYSA-N 2 0 299.434 1.777 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C[C@H](C)n1ccnc1 ZINC001134498835 929773970 /nfs/dbraw/zinc/77/39/70/929773970.db2.gz PNXRCNITGIFRSA-KBPBESRZSA-N 2 0 278.400 1.895 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001152458191 937361944 /nfs/dbraw/zinc/36/19/44/937361944.db2.gz MMHQJXZZHNJQIB-CYBMUJFWSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CC[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134750163 929883671 /nfs/dbraw/zinc/88/36/71/929883671.db2.gz NSDKIIDIIHRGBL-CYBMUJFWSA-N 2 0 253.390 1.143 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298882 930135767 /nfs/dbraw/zinc/13/57/67/930135767.db2.gz QPUPWSZANNFFRF-ZIAGYGMSSA-N 2 0 281.444 1.777 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)C[N@@H+](C)CCCCCC ZINC001135440254 930209789 /nfs/dbraw/zinc/20/97/89/930209789.db2.gz ISYZQVIPMMTLML-UHFFFAOYSA-N 2 0 269.433 1.780 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135745954 930393129 /nfs/dbraw/zinc/39/31/29/930393129.db2.gz CNSLTZKAKTYUJF-KBPBESRZSA-N 2 0 267.417 1.224 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767419 930400315 /nfs/dbraw/zinc/40/03/15/930400315.db2.gz CQIJTDRRONNBKU-HUUCEWRRSA-N 2 0 279.428 1.224 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863633 930509615 /nfs/dbraw/zinc/50/96/15/930509615.db2.gz WXJAWGZWGNESDC-RBSFLKMASA-N 2 0 279.428 1.224 20 30 CDEDRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3ccc(C#N)cn3)[C@@H]2C1 ZINC001275034726 931639059 /nfs/dbraw/zinc/63/90/59/931639059.db2.gz OJKQHJMTSCVCPS-DOTOQJQBSA-N 2 0 299.422 1.021 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146337427 932236115 /nfs/dbraw/zinc/23/61/15/932236115.db2.gz CKSFDFVKJYNJMA-OLZOCXBDSA-N 2 0 253.390 1.141 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147825157 932613988 /nfs/dbraw/zinc/61/39/88/932613988.db2.gz PIVWLSIMYDBWPS-UONOGXRCSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155085014 937632232 /nfs/dbraw/zinc/63/22/32/937632232.db2.gz GXGJWIOSGQXPPI-HUUCEWRRSA-N 2 0 281.444 1.423 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203621 932925935 /nfs/dbraw/zinc/92/59/35/932925935.db2.gz ULUQMGBBSCONDN-ZBFHGGJFSA-N 2 0 289.423 1.049 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1CCC ZINC001263104375 936306930 /nfs/dbraw/zinc/30/69/30/936306930.db2.gz FNOWXDOPSKICKC-QWHCGFSZSA-N 2 0 253.390 1.271 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC001122055747 937902553 /nfs/dbraw/zinc/90/25/53/937902553.db2.gz NCMDJXQNHGEHRC-CVEARBPZSA-N 2 0 293.455 1.908 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092119 938452947 /nfs/dbraw/zinc/45/29/47/938452947.db2.gz LRZIISTZTUWNBN-OAHLLOKOSA-N 2 0 279.428 1.322 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157108764 938455255 /nfs/dbraw/zinc/45/52/55/938455255.db2.gz DHIAGIXPVQHZBV-HUUCEWRRSA-N 2 0 279.428 1.321 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)Cn1ccnc1 ZINC001157294439 938475924 /nfs/dbraw/zinc/47/59/24/938475924.db2.gz ZQDKBTLKJSXIKT-CYBMUJFWSA-N 2 0 264.373 1.286 20 30 CDEDRP CN(c1ncc2c(c1C#N)CCC[NH2+]C2)C(C)(C)C[NH3+] ZINC001159051494 938697916 /nfs/dbraw/zinc/69/79/16/938697916.db2.gz MYJFBESEAWZXPT-UHFFFAOYSA-N 2 0 273.384 1.163 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001161643902 938917062 /nfs/dbraw/zinc/91/70/62/938917062.db2.gz DHPZJCDHVPWULA-HNNXBMFYSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001163243171 939231338 /nfs/dbraw/zinc/23/13/38/939231338.db2.gz VXWKLIJTUPLMEW-UHFFFAOYSA-N 2 0 281.444 1.780 20 30 CDEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001163820931 939338121 /nfs/dbraw/zinc/33/81/21/939338121.db2.gz JSXSHFUALJIYHC-HNNXBMFYSA-N 2 0 293.455 1.923 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166687278 939626827 /nfs/dbraw/zinc/62/68/27/939626827.db2.gz LMDIKXUQIJHXTB-MRXNPFEDSA-N 2 0 297.418 1.318 20 30 CDEDRP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203523289 939691054 /nfs/dbraw/zinc/69/10/54/939691054.db2.gz QEEYNJZLHZIFDU-CABCVRRESA-N 2 0 293.455 1.921 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001205469592 939891949 /nfs/dbraw/zinc/89/19/49/939891949.db2.gz NRRSXXGCDHIEOD-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001205462471 939892600 /nfs/dbraw/zinc/89/26/00/939892600.db2.gz ZDVFRTIRHJRRTF-INIZCTEOSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001205516314 939895469 /nfs/dbraw/zinc/89/54/69/939895469.db2.gz YSZWWHUICCKZFL-CQSZACIVSA-N 2 0 267.417 1.341 20 30 CDEDRP C[C@@H]1C[N@H+](Cc2cncc(C#N)c2)CCC[C@@H]1C[NH3+] ZINC001206012826 939966943 /nfs/dbraw/zinc/96/69/43/939966943.db2.gz OEJZLCWGXKOOCL-IUODEOHRSA-N 2 0 258.369 1.760 20 30 CDEDRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(C#N)ccn2)CC1 ZINC001206317502 940017197 /nfs/dbraw/zinc/01/71/97/940017197.db2.gz GLEKPBVUOSJQLM-HNNXBMFYSA-N 2 0 258.369 1.904 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001206890463 940108142 /nfs/dbraw/zinc/10/81/42/940108142.db2.gz SRIPHQHSWWYHEG-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207437280 940195935 /nfs/dbraw/zinc/19/59/35/940195935.db2.gz SBOONIBJBUXWSI-IAGOWNOFSA-N 2 0 294.439 1.812 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001208261612 940313201 /nfs/dbraw/zinc/31/32/01/940313201.db2.gz QSSGWCBILVPRJE-CABCVRRESA-N 2 0 299.434 1.823 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208447991 940331046 /nfs/dbraw/zinc/33/10/46/940331046.db2.gz SWHQKZUVLTYHBR-AWEZNQCLSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208515605 940336646 /nfs/dbraw/zinc/33/66/46/940336646.db2.gz WBNHDOQUJATAFL-RBSFLKMASA-N 2 0 281.444 1.585 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210493670 940694649 /nfs/dbraw/zinc/69/46/49/940694649.db2.gz MZGNZKRLIRTJFJ-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211282848 940745550 /nfs/dbraw/zinc/74/55/50/940745550.db2.gz DGVSXWZNQYTKBU-HNNXBMFYSA-N 2 0 297.443 1.110 20 30 CDEDRP C=C1CC[NH2+]C[C@@H]1Oc1cccc([C@@H]([NH3+])CC(=O)OC)c1 ZINC001218209014 941044328 /nfs/dbraw/zinc/04/43/28/941044328.db2.gz SUBCTMABPMVYIS-GJZGRUSLSA-N 2 0 290.363 1.546 20 30 CDEDRP C[C@@H](C#N)c1ccc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cc1 ZINC001218871170 941282549 /nfs/dbraw/zinc/28/25/49/941282549.db2.gz HYZVSXWHIIBYLW-SMDDNHRTSA-N 2 0 284.363 1.061 20 30 CDEDRP N#Cc1ccc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])c(O)c1 ZINC001218992071 941298997 /nfs/dbraw/zinc/29/89/97/941298997.db2.gz DWVHEODTSKLNHU-NSHDSACASA-N 2 0 276.340 1.049 20 30 CDEDRP N#C[C@H]1CC[C@H](NC(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001220096779 941412359 /nfs/dbraw/zinc/41/23/59/941412359.db2.gz JFJLPWBGPBEMEF-AVGNSLFASA-N 2 0 266.389 1.031 20 30 CDEDRP C#Cc1cccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222099980 941565108 /nfs/dbraw/zinc/56/51/08/941565108.db2.gz PEWXFDVIUPBUAK-UHFFFAOYSA-N 2 0 269.392 1.195 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]21 ZINC001223962185 941709839 /nfs/dbraw/zinc/70/98/39/941709839.db2.gz KMSJTSLVKLCLQR-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001224752761 941789636 /nfs/dbraw/zinc/78/96/36/941789636.db2.gz DFDOQIOKMGJTCX-UHFFFAOYSA-N 2 0 291.439 1.180 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)CC ZINC001227150228 942141694 /nfs/dbraw/zinc/14/16/94/942141694.db2.gz NGYJGALYSFTMAQ-HUUCEWRRSA-N 2 0 293.455 1.757 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001230147954 942587580 /nfs/dbraw/zinc/58/75/80/942587580.db2.gz YMTFYLWXKCKUBL-HUUCEWRRSA-N 2 0 279.428 1.675 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001230262931 942597853 /nfs/dbraw/zinc/59/78/53/942597853.db2.gz YGZCXGDVVPBQBA-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230366809 942611555 /nfs/dbraw/zinc/61/15/55/942611555.db2.gz IVRSTQIFLAPVOW-UHFFFAOYSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001316617930 942673781 /nfs/dbraw/zinc/67/37/81/942673781.db2.gz NTNXXLKXVQPMHR-XHSDSOJGSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](C(C)C)CC1 ZINC001263111187 943751530 /nfs/dbraw/zinc/75/15/30/943751530.db2.gz VBENSUUWHDKLJF-CQSZACIVSA-N 2 0 267.417 1.659 20 30 CDEDRP C=CCCCCCC[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235050459 944021965 /nfs/dbraw/zinc/02/19/65/944021965.db2.gz DIRCEXTVLSRVJA-HNNXBMFYSA-N 2 0 251.418 1.760 20 30 CDEDRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2CCCC#N ZINC001277945094 944154710 /nfs/dbraw/zinc/15/47/10/944154710.db2.gz MAWAIIWYRKKESG-KBPBESRZSA-N 2 0 250.390 1.000 20 30 CDEDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](CCCCC#N)C2 ZINC001277951350 944188395 /nfs/dbraw/zinc/18/83/95/944188395.db2.gz JCLPGMDCLKHIFN-CABCVRRESA-N 2 0 264.417 1.248 20 30 CDEDRP N#Cc1cc(-c2ncc3c(n2)CC[NH2+]C3)cc(C2C[NH2+]C2)c1 ZINC001240337495 945795185 /nfs/dbraw/zinc/79/51/85/945795185.db2.gz LEIRNTABYQETHG-UHFFFAOYSA-N 2 0 291.358 1.348 20 30 CDEDRP CC[NH+](CC)CCN(CC[NH3+])[C@@H]1CC[C@H](C#N)C1 ZINC001254644536 947567862 /nfs/dbraw/zinc/56/78/62/947567862.db2.gz YWORUGBOXBBLIR-UONOGXRCSA-N 2 0 252.406 1.281 20 30 CDEDRP C=CCC[C@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001246023005 947902937 /nfs/dbraw/zinc/90/29/37/947902937.db2.gz ZDYMDSDMOIWCNO-GJZGRUSLSA-N 2 0 297.443 1.023 20 30 CDEDRP C=C1C[C@@H]2CC([N@H+]3C[C@H](N)[C@@H](C(=O)OC)C3)C[C@H](C1)C2 ZINC001246928737 948523661 /nfs/dbraw/zinc/52/36/61/948523661.db2.gz AGLZYOWJAWBFIY-AWQNUYMJSA-N 2 0 278.396 1.553 20 30 CDEDRP C=C1C[NH2+][C@](C)(c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)C1 ZINC001249231304 949473586 /nfs/dbraw/zinc/47/35/86/949473586.db2.gz BTNPGTHORHLAKZ-INIZCTEOSA-N 2 0 297.362 1.542 20 30 CDEDRP C=C[C@](C)(O)C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC001252582917 951477057 /nfs/dbraw/zinc/47/70/57/951477057.db2.gz ZAGAZFAEWFUYCJ-INIZCTEOSA-N 2 0 278.396 1.654 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001252604619 951502142 /nfs/dbraw/zinc/50/21/42/951502142.db2.gz VYQCWIFLMUIRLL-INIZCTEOSA-N 2 0 275.396 1.839 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491829883 955457463 /nfs/dbraw/zinc/45/74/63/955457463.db2.gz SUFIXHRHUYSEAE-ZDUSSCGKSA-N 2 0 299.846 1.519 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001366348858 956761067 /nfs/dbraw/zinc/76/10/67/956761067.db2.gz WOGREFKGHSPOFL-ZDUSSCGKSA-N 2 0 287.835 1.565 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001419949385 962274641 /nfs/dbraw/zinc/27/46/41/962274641.db2.gz XQCKHNIDXVKXPL-OLZOCXBDSA-N 2 0 289.851 1.810 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001340669843 963062464 /nfs/dbraw/zinc/06/24/64/963062464.db2.gz AOUGHCPQHXCZPJ-HZPDHXFCSA-N 2 0 293.455 1.908 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001340864738 963158249 /nfs/dbraw/zinc/15/82/49/963158249.db2.gz JIDQPWXSWUPRSN-XQQFMLRXSA-N 2 0 253.390 1.269 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001341605547 963480101 /nfs/dbraw/zinc/48/01/01/963480101.db2.gz OKYCZNRSDHEONV-CABCVRRESA-N 2 0 279.428 1.757 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001341777907 963538753 /nfs/dbraw/zinc/53/87/53/963538753.db2.gz NHPAODGEVWOILQ-XHSDSOJGSA-N 2 0 293.455 1.908 20 30 CDEDRP CC(C)(C)N1CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC001353330047 967903905 /nfs/dbraw/zinc/90/39/05/967903905.db2.gz REZRTJFJRVFOMV-OLZOCXBDSA-N 2 0 267.417 1.750 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCCCC1 ZINC001354189621 968527399 /nfs/dbraw/zinc/52/73/99/968527399.db2.gz BHCZAFKUVBIHQL-AWEZNQCLSA-N 2 0 267.417 1.614 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001375212388 974292810 /nfs/dbraw/zinc/29/28/10/974292810.db2.gz DYFGFIBIGJBNPI-CHWSQXEVSA-N 2 0 285.819 1.318 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001393051884 977688396 /nfs/dbraw/zinc/68/83/96/977688396.db2.gz HBWWJZQIWVISNE-ZDUSSCGKSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001133083434 1163563322 /nfs/dbraw/zinc/56/33/22/1163563322.db2.gz JZJTYZUNAYRTEB-ZBFHGGJFSA-N 2 0 293.455 1.588 20 30 CDEDRP C#CCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001676063485 1174177482 /nfs/dbraw/zinc/17/74/82/1174177482.db2.gz AOESEHOYIZUZJO-INIZCTEOSA-N 2 0 291.439 1.417 20 30 CDEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](C)CCC#N)C2)CC1 ZINC000585726719 342454062 /nfs/dbraw/zinc/45/40/62/342454062.db2.gz BSJRVOYPKAOLJM-HZPDHXFCSA-N 2 0 278.444 1.638 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccsc1 ZINC000170903929 342524762 /nfs/dbraw/zinc/52/47/62/342524762.db2.gz OWXBMNBYFPZFFR-ZDUSSCGKSA-N 2 0 280.441 1.679 20 30 CDEDRP C[NH+](C)CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C(C)(C)C ZINC000594437092 342898163 /nfs/dbraw/zinc/89/81/63/342898163.db2.gz HWVIKNSRUIFAFH-KBPBESRZSA-N 2 0 296.459 1.880 20 30 CDEDRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594438593 342906262 /nfs/dbraw/zinc/90/62/62/342906262.db2.gz KLLQTGCFDLDPPO-HUUCEWRRSA-N 2 0 294.443 1.588 20 30 CDEDRP CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000598720052 343883057 /nfs/dbraw/zinc/88/30/57/343883057.db2.gz LSYYCJBYLUUCDA-UONOGXRCSA-N 2 0 265.401 1.361 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(NCc1ccco1)=[NH+]C ZINC000264072516 362958511 /nfs/dbraw/zinc/95/85/11/362958511.db2.gz SCOKBXNPIOTQPK-LBPRGKRZSA-N 2 0 264.373 1.429 20 30 CDEDRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000107369038 186172225 /nfs/dbraw/zinc/17/22/25/186172225.db2.gz IFTNNQNVFOUNHG-SFHVURJKSA-N 2 0 298.434 1.770 20 30 CDEDRP CNC(=[NH2+])NCC1CC[NH+](Cc2cccs2)CC1 ZINC000264114981 362971128 /nfs/dbraw/zinc/97/11/28/362971128.db2.gz SHOSMWUUSJSCRK-UHFFFAOYSA-N 2 0 266.414 1.494 20 30 CDEDRP CCC[N@H+](C)C[C@@H]1CCN(CC(=O)N(CC)CCC#N)C1 ZINC000081516134 359857669 /nfs/dbraw/zinc/85/76/69/359857669.db2.gz NPCDWEXEEDSMIN-HNNXBMFYSA-N 2 0 294.443 1.412 20 30 CDEDRP C=CCN1CC[C@@H]([NH+]2CCC(C[NH+](C)C)CC2)C1=O ZINC000337141824 360005855 /nfs/dbraw/zinc/00/58/55/360005855.db2.gz SQQZEPHPGFYQEM-CQSZACIVSA-N 2 0 265.401 1.047 20 30 CDEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC000120243975 360185432 /nfs/dbraw/zinc/18/54/32/360185432.db2.gz DUZPHHJZRXDFSW-HNNXBMFYSA-N 2 0 293.455 1.568 20 30 CDEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170910537 365161268 /nfs/dbraw/zinc/16/12/68/365161268.db2.gz VBTJQLUOPZEKRM-LBPRGKRZSA-N 2 0 261.373 1.540 20 30 CDEDRP CN(C)C(=[NH2+])NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000170912086 365161902 /nfs/dbraw/zinc/16/19/02/365161902.db2.gz RJWRCVXKCBXXLX-HNNXBMFYSA-N 2 0 274.412 1.427 20 30 CDEDRP CN(CCC[N@H+](C)Cc1cc(C#N)cs1)CC[NH+](C)C ZINC000514666430 374106154 /nfs/dbraw/zinc/10/61/54/374106154.db2.gz PZQRPZHMXTVRSY-UHFFFAOYSA-N 2 0 294.468 1.935 20 30 CDEDRP C=C(C)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130655595 375317062 /nfs/dbraw/zinc/31/70/62/375317062.db2.gz BSWJTMLWLFCKKE-UHFFFAOYSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000417532294 377889493 /nfs/dbraw/zinc/88/94/93/377889493.db2.gz FBODJSLZDKCAHQ-CQSZACIVSA-N 2 0 282.432 1.309 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H](C)[C@@H](C)[NH3+])C(C)C ZINC000192097257 378184606 /nfs/dbraw/zinc/18/46/06/378184606.db2.gz WHGGREOOTNEVHQ-KFWWJZLASA-N 2 0 281.444 1.785 20 30 CDEDRP CC[C@]1([NH2+]CC#CC[NH2+][C@@]2(CC)CCOC2)CCOC1 ZINC000671243687 483198125 /nfs/dbraw/zinc/19/81/25/483198125.db2.gz JKXYFMQSBOSJJN-HOTGVXAUSA-N 2 0 280.412 1.307 20 30 CDEDRP C[NH+]=C(NCc1ccc(OCC[NH+](C)C)cc1)NC1CC1 ZINC000103338009 390476357 /nfs/dbraw/zinc/47/63/57/390476357.db2.gz KOXQMYCUVWOBED-UHFFFAOYSA-N 2 0 290.411 1.454 20 30 CDEDRP CCCNC(=[NH2+])NCCC[N@@H+]1CCc2ccccc2C1 ZINC000104168663 390485673 /nfs/dbraw/zinc/48/56/73/390485673.db2.gz YCZPPPIXBHRSIX-UHFFFAOYSA-N 2 0 274.412 1.749 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCC(C)(C)[NH3+])C(C)C ZINC000417070769 391340283 /nfs/dbraw/zinc/34/02/83/391340283.db2.gz VTALLLWYZZQXPY-AWEZNQCLSA-N 2 0 296.459 1.722 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647797096 391649500 /nfs/dbraw/zinc/64/95/00/391649500.db2.gz YVWXBWQRIFUWNS-NPJQDHAYSA-N 2 0 264.413 1.945 20 30 CDEDRP CC[C@@H](C)NC(=[NH2+])NCCN1CCc2sccc2C1 ZINC000261709469 391682493 /nfs/dbraw/zinc/68/24/93/391682493.db2.gz DLOPQUJFBHKAMR-LLVKDONJSA-N 2 0 280.441 1.809 20 30 CDEDRP CC[NH+]=C(NCc1ccoc1)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261728407 391685986 /nfs/dbraw/zinc/68/59/86/391685986.db2.gz JDWGLNKQTMDNCJ-WFASDCNBSA-N 2 0 290.411 1.817 20 30 CDEDRP C[NH+]=C(NCc1ccn(C)c1)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000158524250 261166668 /nfs/dbraw/zinc/16/66/68/261166668.db2.gz JVKKOFZEOPOVKF-HIFRSBDPSA-N 2 0 291.443 1.419 20 30 CDEDRP C[NH+](C)CC1CC[NH+](CCCSCC#N)CC1 ZINC000336714327 262382557 /nfs/dbraw/zinc/38/25/57/262382557.db2.gz RCDHUKYUXJMIJP-UHFFFAOYSA-N 2 0 255.431 1.907 20 30 CDEDRP CCN(CC)C(=[NH2+])NCCc1cn2ccccc2n1 ZINC000264148308 328157872 /nfs/dbraw/zinc/15/78/72/328157872.db2.gz YMDVSHIWUFXUMP-UHFFFAOYSA-N 2 0 259.357 1.533 20 30 CDEDRP CNC(=[NH2+])NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000264149562 328158174 /nfs/dbraw/zinc/15/81/74/328158174.db2.gz YVQZKNCKJGUKJJ-ZDUSSCGKSA-N 2 0 274.412 1.953 20 30 CDEDRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185774173 329331579 /nfs/dbraw/zinc/33/15/79/329331579.db2.gz DSIWWDXYDAXGTQ-GDBMZVCRSA-N 2 0 278.444 1.684 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCCS1 ZINC000262163654 330001143 /nfs/dbraw/zinc/00/11/43/330001143.db2.gz BLMLVDMINVTLIV-CHWSQXEVSA-N 2 0 284.473 1.661 20 30 CDEDRP C#CCNC(NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)=[NH+]CC ZINC000262627853 330023413 /nfs/dbraw/zinc/02/34/13/330023413.db2.gz UDWGRNCBOZRUAD-CQSZACIVSA-N 2 0 278.444 1.685 20 30 CDEDRP CN1CC[NH+]=C1NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000262661826 330025060 /nfs/dbraw/zinc/02/50/60/330025060.db2.gz NCRYTMOPDHUNAQ-HNNXBMFYSA-N 2 0 278.444 1.922 20 30 CDEDRP C#CCN(C)CCC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000327957159 330257800 /nfs/dbraw/zinc/25/78/00/330257800.db2.gz BNLPNSFEUNHWRC-HNNXBMFYSA-N 2 0 252.402 1.472 20 30 CDEDRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424170533 330310858 /nfs/dbraw/zinc/31/08/58/330310858.db2.gz BHLKGXQFSXPNNQ-JSGCOSHPSA-N 2 0 280.416 1.196 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000490590333 332093852 /nfs/dbraw/zinc/09/38/52/332093852.db2.gz QSROJDROBFIOKB-CVEARBPZSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CC[N@H+](C)CCCNC1CC[NH+](C(C)(C)C)CC1 ZINC000491210607 332167109 /nfs/dbraw/zinc/16/71/09/332167109.db2.gz WNNCYCMOOPSPOQ-UHFFFAOYSA-N 2 0 265.445 1.794 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(F)cc(C#N)c1 ZINC001139874777 1159943268 /nfs/dbraw/zinc/94/32/68/1159943268.db2.gz LQNURFXZEWCUOT-UHFFFAOYSA-N 2 0 292.402 1.623 20 30 CDEDRP C=CC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001755837684 1160622205 /nfs/dbraw/zinc/62/22/05/1160622205.db2.gz WNSIBNZGQMUQPA-ZDUSSCGKSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001085245321 1161937743 /nfs/dbraw/zinc/93/77/43/1161937743.db2.gz SWDBOEBKKRAXBR-KFWWJZLASA-N 2 0 279.428 1.674 20 30 CDEDRP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001755288332 1185890368 /nfs/dbraw/zinc/89/03/68/1185890368.db2.gz TZEXYCADSPXTGD-UHFFFAOYSA-N 2 0 281.444 1.424 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000773117488 575784362 /nfs/dbraw/zinc/78/43/62/575784362.db2.gz RFENPJJVQHJYIT-AWEZNQCLSA-N 2 0 293.455 1.757 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000774019712 575848409 /nfs/dbraw/zinc/84/84/09/575848409.db2.gz OYZBULJUDPUIIF-UHFFFAOYSA-N 2 0 297.443 1.110 20 30 CDEDRP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000981229266 612957738 /nfs/dbraw/zinc/95/77/38/612957738.db2.gz VASDACMJKQWPCT-HUUCEWRRSA-N 2 0 296.374 1.598 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948041072 613017374 /nfs/dbraw/zinc/01/73/74/613017374.db2.gz XVUOADSOCCWZQG-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968386703 613218102 /nfs/dbraw/zinc/21/81/02/613218102.db2.gz OFNWVIGPASEEBS-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000981666712 613305742 /nfs/dbraw/zinc/30/57/42/613305742.db2.gz ZFHKYBNGALZPDP-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@H]1C ZINC000961768617 613344436 /nfs/dbraw/zinc/34/44/36/613344436.db2.gz COGZCMNLAUEZGT-NYTXWWLZSA-N 2 0 277.412 1.093 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000970490084 613384294 /nfs/dbraw/zinc/38/42/94/613384294.db2.gz KJRXWELTKDCGGN-GFCCVEGCSA-N 2 0 283.803 1.025 20 30 CDEDRP C=CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000974899232 613826487 /nfs/dbraw/zinc/82/64/87/613826487.db2.gz KDZAUQJDTAQMTF-AWEZNQCLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC000964034458 613858569 /nfs/dbraw/zinc/85/85/69/613858569.db2.gz BXZWSBHSVMWLDU-UKEPKTAJSA-N 2 0 291.439 1.674 20 30 CDEDRP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000981366375 613861933 /nfs/dbraw/zinc/86/19/33/613861933.db2.gz BXUHMWMUEFYAIN-CVEARBPZSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000969300976 613867331 /nfs/dbraw/zinc/86/73/31/613867331.db2.gz AKYYDWHJLPCOAU-CYBMUJFWSA-N 2 0 297.362 1.257 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000891520136 617458201 /nfs/dbraw/zinc/45/82/01/617458201.db2.gz DTQFHNDYOLNYHG-GASCZTMLSA-N 2 0 292.427 1.173 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000891522174 617459073 /nfs/dbraw/zinc/45/90/73/617459073.db2.gz NTWMFSIDSILKNO-GJZGRUSLSA-N 2 0 292.427 1.173 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NCCC[NH+]1CCCCCC1 ZINC000104155558 617626662 /nfs/dbraw/zinc/62/66/62/617626662.db2.gz FUGYKOFEEQPEPU-CYBMUJFWSA-N 2 0 270.421 1.192 20 30 CDEDRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000157392297 617984019 /nfs/dbraw/zinc/98/40/19/617984019.db2.gz MDUISUHSMUJIHA-AWEZNQCLSA-N 2 0 282.432 1.001 20 30 CDEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)CC(C)(C)C#N ZINC000924995407 618571957 /nfs/dbraw/zinc/57/19/57/618571957.db2.gz YYVOJEPQVSWYGT-ZIAGYGMSSA-N 2 0 266.433 1.540 20 30 CDEDRP CC#CC[C@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000895096182 619285730 /nfs/dbraw/zinc/28/57/30/619285730.db2.gz MRLBRVRXKBISCS-CQSZACIVSA-N 2 0 252.402 1.613 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900597810 623275511 /nfs/dbraw/zinc/27/55/11/623275511.db2.gz AEARQTCZVTWJQP-CVEARBPZSA-N 2 0 291.439 1.770 20 30 CDEDRP CC[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cccc(C#N)c1 ZINC000902954934 625689851 /nfs/dbraw/zinc/68/98/51/625689851.db2.gz ZMSXAMYNIPLKSP-JKSUJKDBSA-N 2 0 273.380 1.666 20 30 CDEDRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000903823962 626104107 /nfs/dbraw/zinc/10/41/07/626104107.db2.gz MMGXDQDUHRRSAW-KRWDZBQOSA-N 2 0 287.407 1.708 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000996245339 693884539 /nfs/dbraw/zinc/88/45/39/693884539.db2.gz IHQSAVHXAIVPAL-HUUCEWRRSA-N 2 0 295.471 1.975 20 30 CDEDRP C[C@H](CNC(=[NH2+])N1CCCCC1)C[NH+]1CCCCC1 ZINC000104176441 693889422 /nfs/dbraw/zinc/88/94/22/693889422.db2.gz GMGRICBJWIXOBD-CQSZACIVSA-N 2 0 266.433 1.909 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023569561 693894958 /nfs/dbraw/zinc/89/49/58/693894958.db2.gz MOXUEHBODHPSEA-CQSZACIVSA-N 2 0 279.428 1.342 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001020214051 694002117 /nfs/dbraw/zinc/00/21/17/694002117.db2.gz FVWURNGVIVAQHU-IHRRRGAJSA-N 2 0 265.401 1.284 20 30 CDEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001016340250 694005258 /nfs/dbraw/zinc/00/52/58/694005258.db2.gz VXABSBCCMWFGSD-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001028580085 694009054 /nfs/dbraw/zinc/00/90/54/694009054.db2.gz PPPLGIIUSQSKJQ-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001019775053 694069662 /nfs/dbraw/zinc/06/96/62/694069662.db2.gz USSQIWMGTBVISD-LBPRGKRZSA-N 2 0 271.792 1.025 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000995928415 694071127 /nfs/dbraw/zinc/07/11/27/694071127.db2.gz TZAOCXLUOMFECY-KGLIPLIRSA-N 2 0 279.428 1.032 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000855899692 694084927 /nfs/dbraw/zinc/08/49/27/694084927.db2.gz SAKPYZMCPBUABE-AWEZNQCLSA-N 2 0 267.417 1.341 20 30 CDEDRP CCCCNC(=[NH2+])NCCCC[NH+]1CCN(CC)CC1 ZINC000303882743 688197008 /nfs/dbraw/zinc/19/70/08/688197008.db2.gz IKFNNWXBAAHEGL-UHFFFAOYSA-N 2 0 283.464 1.109 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071795553 688270240 /nfs/dbraw/zinc/27/02/40/688270240.db2.gz LGBGNVUFBSIPES-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997865595 688402656 /nfs/dbraw/zinc/40/26/56/688402656.db2.gz GCSBOVYQKHPPBG-GOEBONIOSA-N 2 0 293.455 1.731 20 30 CDEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000924658584 688496929 /nfs/dbraw/zinc/49/69/29/688496929.db2.gz LPPGELIYSQZPLB-HNNXBMFYSA-N 2 0 280.460 1.932 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033398507 688539301 /nfs/dbraw/zinc/53/93/01/688539301.db2.gz XIJRVLIHFRFOAC-OAHLLOKOSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000989486617 688786630 /nfs/dbraw/zinc/78/66/30/688786630.db2.gz OXTRHJRPFQUOPV-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=[NH2+])N2CCOCC2)C1 ZINC000104178847 688835451 /nfs/dbraw/zinc/83/54/51/688835451.db2.gz REQBESJDWGERHV-KBPBESRZSA-N 2 0 296.459 1.390 20 30 CDEDRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])NCC2CCC2)C1 ZINC000262022964 694241186 /nfs/dbraw/zinc/24/11/86/694241186.db2.gz YMBTZHMMHICCMC-GFCCVEGCSA-N 2 0 252.406 1.423 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001054862881 694258959 /nfs/dbraw/zinc/25/89/59/694258959.db2.gz MKKXQJOVGVKNBA-DOMZBBRYSA-N 2 0 284.363 1.570 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)CCCn1ccnc1C ZINC000818599443 694289713 /nfs/dbraw/zinc/28/97/13/694289713.db2.gz QULWNULPIDGNBV-UHFFFAOYSA-N 2 0 276.384 1.043 20 30 CDEDRP C=CCONC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000838706459 694406103 /nfs/dbraw/zinc/40/61/03/694406103.db2.gz PKQTUHOOROPEKE-AWEZNQCLSA-N 2 0 298.431 1.162 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001016928917 694417736 /nfs/dbraw/zinc/41/77/36/694417736.db2.gz AZFYSWIUFWFNLG-CABCVRRESA-N 2 0 291.439 1.485 20 30 CDEDRP CC(C)CCNC(=[NH2+])NCC[NH+]1CCCCCC1 ZINC000303891340 694436339 /nfs/dbraw/zinc/43/63/39/694436339.db2.gz NARCNSXITCXSKD-UHFFFAOYSA-N 2 0 254.422 1.813 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000996245346 694479998 /nfs/dbraw/zinc/47/99/98/694479998.db2.gz IHQSAVHXAIVPAL-LSDHHAIUSA-N 2 0 295.471 1.975 20 30 CDEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000999408558 692243006 /nfs/dbraw/zinc/24/30/06/692243006.db2.gz LHSRXOOXPBQHAV-WLYUNCDWSA-N 2 0 279.428 1.483 20 30 CDEDRP CC[N@@H+]1CC[C@@H]([NH2+]CCNc2ccc(C#N)cn2)[C@H](C)C1 ZINC000927166102 692277074 /nfs/dbraw/zinc/27/70/74/692277074.db2.gz UBGBRNDVBAQTJX-UKRRQHHQSA-N 2 0 287.411 1.685 20 30 CDEDRP CNC(NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)=[NH+]C ZINC000386516641 694515919 /nfs/dbraw/zinc/51/59/19/694515919.db2.gz XZUORJLKERGMTD-MRXNPFEDSA-N 2 0 274.412 1.693 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032042334 692339769 /nfs/dbraw/zinc/33/97/69/692339769.db2.gz AJVTXYJLTXHENM-HOTGVXAUSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(Cl)CN1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001000522368 692394220 /nfs/dbraw/zinc/39/42/20/692394220.db2.gz QGLHGBHPMDQVBF-CQSZACIVSA-N 2 0 297.830 1.581 20 30 CDEDRP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001054240299 692482305 /nfs/dbraw/zinc/48/23/05/692482305.db2.gz RZQHJDOCQDZCPB-KRWDZBQOSA-N 2 0 291.439 1.583 20 30 CDEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=[NH2+])N2CCOCC2)C1 ZINC000104170061 692492216 /nfs/dbraw/zinc/49/22/16/692492216.db2.gz NPEAJTOOYAZJSB-HUUCEWRRSA-N 2 0 296.459 1.391 20 30 CDEDRP CC(C)C[C@](C)(C[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884035155 692550127 /nfs/dbraw/zinc/55/01/27/692550127.db2.gz SSQGSRDMCXLZDT-GOPBEWJXSA-N 2 0 292.427 1.005 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001049889094 692595148 /nfs/dbraw/zinc/59/51/48/692595148.db2.gz BNPQGZRXNQFTEL-HRCADAONSA-N 2 0 291.439 1.580 20 30 CDEDRP CC[N@H+](CCCNC(NC)=[NH+]C)C1CCCCC1 ZINC000849046716 692684609 /nfs/dbraw/zinc/68/46/09/692684609.db2.gz JYXQKYXDJOZQPF-UHFFFAOYSA-N 2 0 254.422 1.826 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC000986564832 692703850 /nfs/dbraw/zinc/70/38/50/692703850.db2.gz FSINUXFZVIGBRN-WFASDCNBSA-N 2 0 284.363 1.713 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001032206070 692842132 /nfs/dbraw/zinc/84/21/32/692842132.db2.gz QTSSFODFXWXKAT-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033091411 692884287 /nfs/dbraw/zinc/88/42/87/692884287.db2.gz IRFNPTSHPIXRSA-OWCLPIDISA-N 2 0 293.455 1.826 20 30 CDEDRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])N2CCCCCC2)C1 ZINC000305045311 692885525 /nfs/dbraw/zinc/88/55/25/692885525.db2.gz FEZLHXASSVWYEX-CQSZACIVSA-N 2 0 266.433 1.909 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001020170923 692893656 /nfs/dbraw/zinc/89/36/56/692893656.db2.gz DFQBGZZDBFTMAD-FDYHWXHSSA-N 2 0 285.819 1.316 20 30 CDEDRP C=C(C)CC[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031947532 692909594 /nfs/dbraw/zinc/90/95/94/692909594.db2.gz HVUXVBICCJDJIX-UHFFFAOYSA-N 2 0 279.428 1.342 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031729468 693003059 /nfs/dbraw/zinc/00/30/59/693003059.db2.gz OJPFWACTUCFKQD-OAHLLOKOSA-N 2 0 279.428 1.198 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)Cn2cncc2C)C[C@H]1CC ZINC001037876315 693017873 /nfs/dbraw/zinc/01/78/73/693017873.db2.gz PJKUSDUBZYFDHG-CABCVRRESA-N 2 0 290.411 1.594 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000838185469 693190584 /nfs/dbraw/zinc/19/05/84/693190584.db2.gz HFYDSEGSZPSFSB-UHFFFAOYSA-N 2 0 295.452 1.756 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032044073 693208541 /nfs/dbraw/zinc/20/85/41/693208541.db2.gz PLGUTGIHSXSSNU-HUUCEWRRSA-N 2 0 277.412 1.237 20 30 CDEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001045440478 693268502 /nfs/dbraw/zinc/26/85/02/693268502.db2.gz MOWOIGJPXVUFPV-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)CN1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001072552007 693325117 /nfs/dbraw/zinc/32/51/17/693325117.db2.gz LASWXDZHZKABLG-ZDUSSCGKSA-N 2 0 297.830 1.367 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1CC)NC1CCCC1 ZINC000103905659 693347514 /nfs/dbraw/zinc/34/75/14/693347514.db2.gz PRWWFPMXGYBDOH-AWEZNQCLSA-N 2 0 266.433 1.968 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703706 693411713 /nfs/dbraw/zinc/41/17/13/693411713.db2.gz SGBUEYFWSCLHTQ-CQSZACIVSA-N 2 0 277.412 1.096 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001023273525 694689271 /nfs/dbraw/zinc/68/92/71/694689271.db2.gz NLPIQTZKOWFRHT-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024762356 694692689 /nfs/dbraw/zinc/69/26/89/694692689.db2.gz QJOCUYPFLTWOBB-OAHLLOKOSA-N 2 0 289.423 1.076 20 30 CDEDRP C[N@H+](Cc1ccccc1)C1CCC(N=NC(N)=[NH2+])CC1 ZINC000797787280 694706048 /nfs/dbraw/zinc/70/60/48/694706048.db2.gz JSZVSKVZEVHGRQ-UHFFFAOYSA-N 2 0 273.384 1.900 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015793191 693463134 /nfs/dbraw/zinc/46/31/34/693463134.db2.gz PASMZHQCRDCZOB-AWEZNQCLSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999143191 693466839 /nfs/dbraw/zinc/46/68/39/693466839.db2.gz FMLOOOAGOBTMAJ-CABCVRRESA-N 2 0 279.428 1.626 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001044826416 694759617 /nfs/dbraw/zinc/75/96/17/694759617.db2.gz ZMRHJVSTBOBARE-ZIAGYGMSSA-N 2 0 277.412 1.237 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001014628587 694804121 /nfs/dbraw/zinc/80/41/21/694804121.db2.gz JFANWBKXHQGPIF-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001022279137 694816323 /nfs/dbraw/zinc/81/63/23/694816323.db2.gz UMLRWZVOZDPDOM-LXTVHRRPSA-N 2 0 277.412 1.426 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC001044680599 694605316 /nfs/dbraw/zinc/60/53/16/694605316.db2.gz GLLNQZXTDNKSBV-DZGCQCFKSA-N 2 0 296.374 1.550 20 30 CDEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001035667906 694611204 /nfs/dbraw/zinc/61/12/04/694611204.db2.gz AWLFMSZQFGCNQG-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999379465 694611809 /nfs/dbraw/zinc/61/18/09/694611809.db2.gz YTKHIVAITUVVLA-KBPBESRZSA-N 2 0 299.846 1.660 20 30 CDEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073426094 694636331 /nfs/dbraw/zinc/63/63/31/694636331.db2.gz PYJLSNUEGCMMCH-OAHLLOKOSA-N 2 0 291.439 1.439 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001036225471 694769032 /nfs/dbraw/zinc/76/90/32/694769032.db2.gz OTXMFPDKEHCRLF-HZPDHXFCSA-N 2 0 291.439 1.178 20 30 CDEDRP CNC(N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)=[NH+]C ZINC000261729393 694864665 /nfs/dbraw/zinc/86/46/65/694864665.db2.gz HBVRRLQKOOKLSO-TZMCWYRMSA-N 2 0 260.385 1.617 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000987257384 694867246 /nfs/dbraw/zinc/86/72/46/694867246.db2.gz WJOCXYNIXMNBAM-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C[C@@H]1CCCN(C(=[NH2+])NCCN2CCC([NH+](C)C)CC2)C1 ZINC000304735957 694871689 /nfs/dbraw/zinc/87/16/89/694871689.db2.gz SFVTWEKTSGUDES-CQSZACIVSA-N 2 0 295.475 1.059 20 30 CDEDRP CC(C)[C@H](CNC(=[NH2+])NCC1CCC1)[NH+]1CCCC1 ZINC000303792355 694873939 /nfs/dbraw/zinc/87/39/39/694873939.db2.gz YKYCIYSIQGNEFT-AWEZNQCLSA-N 2 0 266.433 1.811 20 30 CDEDRP CCc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C)C2)cc1 ZINC000303909438 695051239 /nfs/dbraw/zinc/05/12/39/695051239.db2.gz YERWLJXCOCHMGU-ZDUSSCGKSA-N 2 0 260.385 1.927 20 30 CDEDRP C=CC[NH2+]C1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001026560245 695077117 /nfs/dbraw/zinc/07/71/17/695077117.db2.gz IAUIGMOHTPQRJP-UHFFFAOYSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014729567 695088562 /nfs/dbraw/zinc/08/85/62/695088562.db2.gz SFMOJMOZVWKTRG-GJZGRUSLSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC[NH+](C)CC1 ZINC000886581197 695091690 /nfs/dbraw/zinc/09/16/90/695091690.db2.gz MXDAZNYHIWECDD-HUUCEWRRSA-N 2 0 291.439 1.415 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034401014 695093084 /nfs/dbraw/zinc/09/30/84/695093084.db2.gz ZTLWPHRXESULPJ-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[NH2+]CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398078676 1160094014 /nfs/dbraw/zinc/09/40/14/1160094014.db2.gz RENFTILJVFPKEJ-WBVHZDCISA-N 2 0 299.418 1.236 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001755471944 1160186356 /nfs/dbraw/zinc/18/63/56/1160186356.db2.gz JAUWONKPACGODV-SHTZXODSSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001086460173 1161978342 /nfs/dbraw/zinc/97/83/42/1161978342.db2.gz LCLJTDRQGOKKNS-MQMHXKEQSA-N 2 0 289.379 1.072 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001113629450 1162244213 /nfs/dbraw/zinc/24/42/13/1162244213.db2.gz IZBSJQKHJBKBKW-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001133347758 1163649859 /nfs/dbraw/zinc/64/98/59/1163649859.db2.gz ZHJHCCYTALROPI-GJZGRUSLSA-N 2 0 279.428 1.034 20 30 CDEDRP C=CCC[C@H](O)C[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001252616845 1164664564 /nfs/dbraw/zinc/66/45/64/1164664564.db2.gz UTTRARVVUAMVQG-HNNXBMFYSA-N 2 0 270.417 1.404 20 30 CDEDRP C=CC1(CC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C[NH2+]C1 ZINC001574881015 1171036028 /nfs/dbraw/zinc/03/60/28/1171036028.db2.gz XGMCDLCECBOYEH-OAHLLOKOSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1C[NH2+]C1)C(C)C ZINC001574927010 1171053326 /nfs/dbraw/zinc/05/33/26/1171053326.db2.gz AYLDFRKLOLIRMF-AWEZNQCLSA-N 2 0 265.401 1.021 20 30 CDEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001725271515 1181947489 /nfs/dbraw/zinc/94/74/89/1181947489.db2.gz QGDLUALIIXKESQ-DZGCQCFKSA-N 2 0 281.444 1.585 20 30 CDEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001752655748 1184890207 /nfs/dbraw/zinc/89/02/07/1184890207.db2.gz XXFTXBGNAQLDEM-HDJSIYSDSA-N 2 0 279.428 1.531 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001752996873 1184988466 /nfs/dbraw/zinc/98/84/66/1184988466.db2.gz PYOIYARBDNDQMO-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP CN(CC[NH2+]CC#Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001753176044 1185104064 /nfs/dbraw/zinc/10/40/64/1185104064.db2.gz BOPWDCXAUPXVSD-KRWDZBQOSA-N 2 0 299.418 1.180 20 30 CDEDRP C#CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1CCC)C(C)C ZINC001753286482 1185142305 /nfs/dbraw/zinc/14/23/05/1185142305.db2.gz BTXXHWNBDLLZPZ-MRXNPFEDSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001753766413 1185330464 /nfs/dbraw/zinc/33/04/64/1185330464.db2.gz JKYGAEZOJVPDDR-GJZGRUSLSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001754178077 1185494687 /nfs/dbraw/zinc/49/46/87/1185494687.db2.gz IAZAZFZIOCGTBM-XHPSBEMXSA-N 2 0 279.428 1.697 20 30 CDEDRP CC#CC[NH2+]CC1CC(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001755218830 1185860275 /nfs/dbraw/zinc/86/02/75/1185860275.db2.gz RQIHMTAOQKSUMJ-UYSNPLJNSA-N 2 0 293.455 1.615 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001755267500 1185883931 /nfs/dbraw/zinc/88/39/31/1185883931.db2.gz BLOJJVRLXPVWEU-KBPBESRZSA-N 2 0 269.433 1.776 20 30 CDEDRP C#CC[NH2+]CC(C)(C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001755286247 1185890251 /nfs/dbraw/zinc/89/02/51/1185890251.db2.gz RXIXMOFGQQOSNX-UHFFFAOYSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[NH2+][C@H](CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001755348895 1185925509 /nfs/dbraw/zinc/92/55/09/1185925509.db2.gz KULMVMVMSRAPPE-JKSUJKDBSA-N 2 0 295.471 1.977 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001755662772 1186028545 /nfs/dbraw/zinc/02/85/45/1186028545.db2.gz HAIRPXNXRMWCSC-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001755679919 1186034934 /nfs/dbraw/zinc/03/49/34/1186034934.db2.gz ATJDOBVKPMTYHR-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001755724936 1186048381 /nfs/dbraw/zinc/04/83/81/1186048381.db2.gz ZXGOWBXAIPSZAV-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC1(C)C ZINC001755765696 1186061080 /nfs/dbraw/zinc/06/10/80/1186061080.db2.gz VQOLQNRAVZKSFA-CQSZACIVSA-N 2 0 279.428 1.178 20 30 CDEDRP CC[C@@H](C(=O)NCC[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001133982727 1163997019 /nfs/dbraw/zinc/99/70/19/1163997019.db2.gz JQNVERVOYSDDRP-INIZCTEOSA-N 2 0 287.407 1.084 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134857817 1164108106 /nfs/dbraw/zinc/10/81/06/1164108106.db2.gz KBDWOQWNBOPTLY-GJZGRUSLSA-N 2 0 291.439 1.511 20 30 CDEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001027985887 723438785 /nfs/dbraw/zinc/43/87/85/723438785.db2.gz QGPNQLYOHGHNHS-HOTGVXAUSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046373586 723532576 /nfs/dbraw/zinc/53/25/76/723532576.db2.gz BHNKHXAGXXLYLJ-RDJZCZTQSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1cc(OC)c(O)c(OC)c1 ZINC000392886510 723547376 /nfs/dbraw/zinc/54/73/76/723547376.db2.gz LBSCJLLMXOBHHI-UHFFFAOYSA-N 2 0 292.379 1.454 20 30 CDEDRP CN(C(=O)C#CC1CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000837411909 723658648 /nfs/dbraw/zinc/65/86/48/723658648.db2.gz FYFNBDOEAKVAFR-INIZCTEOSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001050754087 723674306 /nfs/dbraw/zinc/67/43/06/723674306.db2.gz PJGVYYVPWULAMV-UHFFFAOYSA-N 2 0 291.439 1.583 20 30 CDEDRP C#CCC[N@H+]1CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001038393909 723664263 /nfs/dbraw/zinc/66/42/63/723664263.db2.gz LNLXKQYTXQHWPH-HNNXBMFYSA-N 2 0 289.423 1.076 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001018857581 723686731 /nfs/dbraw/zinc/68/67/31/723686731.db2.gz YMGLNSGVQBYXNT-UONOGXRCSA-N 2 0 297.830 1.271 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001020297275 723251449 /nfs/dbraw/zinc/25/14/49/723251449.db2.gz FHBJEBYPEVJUID-MGPQQGTHSA-N 2 0 265.401 1.284 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001036054217 723375960 /nfs/dbraw/zinc/37/59/60/723375960.db2.gz JXPIUDPCEQJUAK-HIFRSBDPSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001036208002 723470723 /nfs/dbraw/zinc/47/07/23/723470723.db2.gz ILOBBJLPZCFLOB-GOEBONIOSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccnc1 ZINC001018336465 723548024 /nfs/dbraw/zinc/54/80/24/723548024.db2.gz AFYBKYACPAVQMB-GASCZTMLSA-N 2 0 288.395 1.525 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001028446869 723578797 /nfs/dbraw/zinc/57/87/97/723578797.db2.gz JFTIOEBYPVADFX-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001036158492 723639388 /nfs/dbraw/zinc/63/93/88/723639388.db2.gz BUFNBSUJJUPFPE-UKRRQHHQSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001022584807 723640251 /nfs/dbraw/zinc/64/02/51/723640251.db2.gz GNMWMEGTMQBSKZ-SOUVJXGZSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000989449529 723665409 /nfs/dbraw/zinc/66/54/09/723665409.db2.gz IPDVYJKDCYNVJA-KGLIPLIRSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC001574902540 1167642350 /nfs/dbraw/zinc/64/23/50/1167642350.db2.gz CBQJKROCPMIZAT-ZFWWWQNUSA-N 2 0 265.401 1.271 20 30 CDEDRP C=CCOC1CCC(NC(=[NH2+])SCC[NH3+])CC1 ZINC001173313321 912407618 /nfs/dbraw/zinc/40/76/18/912407618.db2.gz UXFOUEVDFQRWNJ-UHFFFAOYSA-N 2 0 257.403 1.716 20 30 CDEDRP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001272566063 913455330 /nfs/dbraw/zinc/45/53/30/913455330.db2.gz QYVPJHHPEHBOAI-GJZGRUSLSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001175314781 913536397 /nfs/dbraw/zinc/53/63/97/913536397.db2.gz BOKQWAXSHZDKEW-CABCVRRESA-N 2 0 281.444 1.615 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001167236668 894927549 /nfs/dbraw/zinc/92/75/49/894927549.db2.gz OKQSKXJUFKYXSH-KBPBESRZSA-N 2 0 279.428 1.246 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001022279135 896223271 /nfs/dbraw/zinc/22/32/71/896223271.db2.gz UMLRWZVOZDPDOM-BARDWOONSA-N 2 0 277.412 1.426 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001106729203 914216388 /nfs/dbraw/zinc/21/63/88/914216388.db2.gz MKPLCBZFQKNIBT-GDBMZVCRSA-N 2 0 293.455 1.588 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176760077 914262256 /nfs/dbraw/zinc/26/22/56/914262256.db2.gz PQDLNXVQBXCYCN-CVEARBPZSA-N 2 0 293.455 1.759 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001106784929 914300943 /nfs/dbraw/zinc/30/09/43/914300943.db2.gz OLRZAFINYXHDRK-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105007536 899782502 /nfs/dbraw/zinc/78/25/02/899782502.db2.gz BEOZUJSGYVNFLX-BZUAXINKSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCn1cc(C[NH+]2CCC(F)(C[NH3+])CC2)cn1 ZINC001222538929 900224483 /nfs/dbraw/zinc/22/44/83/900224483.db2.gz RQPWAPPSKKXDKN-UHFFFAOYSA-N 2 0 252.337 1.332 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176999451 914424421 /nfs/dbraw/zinc/42/44/21/914424421.db2.gz WWZPIBKMJQLXEL-OAHLLOKOSA-N 2 0 281.444 1.779 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075613400 901641931 /nfs/dbraw/zinc/64/19/31/901641931.db2.gz BSWCQLAGUPLBAH-RRFJBIMHSA-N 2 0 277.412 1.189 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000989682898 908969301 /nfs/dbraw/zinc/96/93/01/908969301.db2.gz KQYCYGAVSRIPHG-ZIAGYGMSSA-N 2 0 277.412 1.237 20 30 CDEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189400821 921475655 /nfs/dbraw/zinc/47/56/55/921475655.db2.gz OLWJLKQTVDFMTR-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092504335 909439359 /nfs/dbraw/zinc/43/93/59/909439359.db2.gz LYXNFHNIHFJWNB-BNOWGMLFSA-N 2 0 299.846 1.517 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001092736568 909504034 /nfs/dbraw/zinc/50/40/34/909504034.db2.gz VSISUWFYUFXYHI-OAGGEKHMSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH2+]CCCCCCNC(=O)CC[NH+](C)C ZINC001179464159 915846100 /nfs/dbraw/zinc/84/61/00/915846100.db2.gz OGMGCVATSSIBAL-UHFFFAOYSA-N 2 0 269.433 1.780 20 30 CDEDRP COc1ccc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c(C#N)c1 ZINC001137700976 936391589 /nfs/dbraw/zinc/39/15/89/936391589.db2.gz HAIRZEPBAFLTAO-ZBFHGGJFSA-N 2 0 285.391 1.950 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182623396 917988338 /nfs/dbraw/zinc/98/83/38/917988338.db2.gz KYIHEJHWYIGCPR-CVEARBPZSA-N 2 0 291.439 1.485 20 30 CDEDRP C[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])c1ccc(C#N)cc1 ZINC001182800316 918136469 /nfs/dbraw/zinc/13/64/69/918136469.db2.gz RZHQNBYOQNRWBT-LLVKDONJSA-N 2 0 287.367 1.123 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995973975 918192038 /nfs/dbraw/zinc/19/20/38/918192038.db2.gz GPSREGRAIOSAOU-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996609974 918331394 /nfs/dbraw/zinc/33/13/94/918331394.db2.gz IVMAVCOGSRAEGI-CHWSQXEVSA-N 2 0 299.846 1.517 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000996761141 918410670 /nfs/dbraw/zinc/41/06/70/918410670.db2.gz DSAUFBCLCCKJBJ-INIZCTEOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@H+]1CC=C(CNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001000914129 936542674 /nfs/dbraw/zinc/54/26/74/936542674.db2.gz NXZIDUHSKFXBRO-UHFFFAOYSA-N 2 0 296.374 1.882 20 30 CDEDRP C=CCCCC[N@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273495205 919357334 /nfs/dbraw/zinc/35/73/34/919357334.db2.gz QIFNHWHSLCSLIK-KRWDZBQOSA-N 2 0 293.455 1.829 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001185030289 919391601 /nfs/dbraw/zinc/39/16/01/919391601.db2.gz KPEBKLVZUCZWSG-CVEARBPZSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000999310351 919732906 /nfs/dbraw/zinc/73/29/06/919732906.db2.gz XITXBGNONCHOHK-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[C@H](C)n2ccnc2)C1 ZINC001185967891 919833296 /nfs/dbraw/zinc/83/32/96/919833296.db2.gz CXBVWDUWDLFIFM-LSDHHAIUSA-N 2 0 290.411 1.991 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001168666921 920093788 /nfs/dbraw/zinc/09/37/88/920093788.db2.gz NBXHEJKZGFRLLI-CQSZACIVSA-N 2 0 269.433 1.635 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001192316633 923006258 /nfs/dbraw/zinc/00/62/58/923006258.db2.gz PJXSLHZHPITODU-GJZGRUSLSA-N 2 0 281.444 1.826 20 30 CDEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001192326333 923007632 /nfs/dbraw/zinc/00/76/32/923007632.db2.gz QCRHIBQJNWLMSS-HOTGVXAUSA-N 2 0 293.455 1.663 20 30 CDEDRP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193292631 923589936 /nfs/dbraw/zinc/58/99/36/923589936.db2.gz QIRUJRYOXGHGIZ-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194283493 924160643 /nfs/dbraw/zinc/16/06/43/924160643.db2.gz CFPWTAWHLAMLDD-CQSZACIVSA-N 2 0 267.417 1.435 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001100734367 936931744 /nfs/dbraw/zinc/93/17/44/936931744.db2.gz ZIQDPBZGRARKEP-UHFFFAOYSA-N 2 0 291.439 1.226 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)C[NH+](CC)CC)C1 ZINC001100769493 936933893 /nfs/dbraw/zinc/93/38/93/936933893.db2.gz MIRISIUIYRVWIM-UHFFFAOYSA-N 2 0 267.417 1.389 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001082520848 924951158 /nfs/dbraw/zinc/95/11/58/924951158.db2.gz XGILZAXYGCFFFF-FMKGYKFTSA-N 2 0 299.846 1.516 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)CCc2ncc[nH]2)[C@H](C)C1 ZINC001101926711 937028332 /nfs/dbraw/zinc/02/83/32/937028332.db2.gz MFQNPMNZGDBSTR-CHWSQXEVSA-N 2 0 276.384 1.212 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001085203712 925797581 /nfs/dbraw/zinc/79/75/81/925797581.db2.gz XVBZEHSZVLRXRK-ZJIFWQFVSA-N 2 0 291.439 1.367 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001085217621 925810241 /nfs/dbraw/zinc/81/02/41/925810241.db2.gz JSKUICNBDCNTIX-OAGGEKHMSA-N 2 0 291.439 1.511 20 30 CDEDRP C=CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085593533 926191638 /nfs/dbraw/zinc/19/16/38/926191638.db2.gz LLAXBUAFISQQME-LSDHHAIUSA-N 2 0 279.428 1.578 20 30 CDEDRP C=CCC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001102525735 937063001 /nfs/dbraw/zinc/06/30/01/937063001.db2.gz SDRTYXOOIFTMGS-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001201440899 926308393 /nfs/dbraw/zinc/30/83/93/926308393.db2.gz OLSIMRTUMJSKEH-UHFFFAOYSA-N 2 0 291.439 1.772 20 30 CDEDRP C#Cc1cc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)ccn1 ZINC001201649403 926373147 /nfs/dbraw/zinc/37/31/47/926373147.db2.gz SMNPPBZCOHCJFH-UHFFFAOYSA-N 2 0 293.374 1.375 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001086045578 926639351 /nfs/dbraw/zinc/63/93/51/926639351.db2.gz OOHMOHMTGUZXJX-XQQFMLRXSA-N 2 0 285.819 1.318 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001086119370 926723095 /nfs/dbraw/zinc/72/30/95/926723095.db2.gz KXKNBDCLJMAUDQ-QKPAOTATSA-N 2 0 291.439 1.674 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001086138500 926739975 /nfs/dbraw/zinc/73/99/75/926739975.db2.gz LVAXDJJGYRHZME-XBXGTLAGSA-N 2 0 284.363 1.618 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001086225934 926857812 /nfs/dbraw/zinc/85/78/12/926857812.db2.gz RHKATZLNJTUTTO-WOVMCDHWSA-N 2 0 299.418 1.479 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001086365183 927039918 /nfs/dbraw/zinc/03/99/18/927039918.db2.gz HTRLLJNLIPMSHJ-YHUYYLMFSA-N 2 0 291.439 1.531 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103395861 937140195 /nfs/dbraw/zinc/14/01/95/937140195.db2.gz PNOVJPOXAYBWRH-GDBMZVCRSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398077 937140252 /nfs/dbraw/zinc/14/02/52/937140252.db2.gz BVZCRNQTUSBXHK-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]CC1CC[NH+](CCCC)CC1 ZINC001252490000 928723779 /nfs/dbraw/zinc/72/37/79/928723779.db2.gz BZRNXZYGBORCGI-INIZCTEOSA-N 2 0 284.444 1.652 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001086558811 929438697 /nfs/dbraw/zinc/43/86/97/929438697.db2.gz SQSHJFIGQUBFDA-KKUMJFAQSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134729514 929866029 /nfs/dbraw/zinc/86/60/29/929866029.db2.gz IZFNGYNRDHEJLD-CABCVRRESA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134758952 929886765 /nfs/dbraw/zinc/88/67/65/929886765.db2.gz CVSOSNHMRLNWFO-AWEZNQCLSA-N 2 0 267.417 1.533 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135297414 930134549 /nfs/dbraw/zinc/13/45/49/930134549.db2.gz BCKXRCVTNWWBIY-UONOGXRCSA-N 2 0 279.428 1.224 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000883131367 930148073 /nfs/dbraw/zinc/14/80/73/930148073.db2.gz YPTSAXOYPCVYEA-UHFFFAOYSA-N 2 0 272.352 1.714 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135336629 930162852 /nfs/dbraw/zinc/16/28/52/930162852.db2.gz FJPRATXSAUDNJR-UHFFFAOYSA-N 2 0 275.396 1.644 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135380209 930178470 /nfs/dbraw/zinc/17/84/70/930178470.db2.gz XCBWWIHZBCRUQT-KBPBESRZSA-N 2 0 281.444 1.777 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135391356 930181532 /nfs/dbraw/zinc/18/15/32/930181532.db2.gz RWJKHSKWIQGTSK-STQMWFEESA-N 2 0 267.417 1.387 20 30 CDEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170819311 930244819 /nfs/dbraw/zinc/24/48/19/930244819.db2.gz SSYABANMVJBJLT-ZBFHGGJFSA-N 2 0 293.455 1.779 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135788933 930420629 /nfs/dbraw/zinc/42/06/29/930420629.db2.gz MYTDXMCVTYYVNQ-HZPDHXFCSA-N 2 0 293.455 1.615 20 30 CDEDRP N#CCc1ccc([N+](=O)[O-])c(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001170902913 930707849 /nfs/dbraw/zinc/70/78/49/930707849.db2.gz HHJJMRFISLUAHY-LBPRGKRZSA-N 2 0 263.301 1.096 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246138096 931097686 /nfs/dbraw/zinc/09/76/86/931097686.db2.gz AJFVHPBOJCXUFI-ZIAGYGMSSA-N 2 0 251.418 1.805 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001154123254 937506291 /nfs/dbraw/zinc/50/62/91/937506291.db2.gz RAQJHZQUGKODQD-CVEARBPZSA-N 2 0 293.455 1.567 20 30 CDEDRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(C#N)cn1)CC2 ZINC001275031966 931638067 /nfs/dbraw/zinc/63/80/67/931638067.db2.gz DLFKDZUCVHQXFC-UHFFFAOYSA-N 2 0 270.380 1.871 20 30 CDEDRP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCN(CC[NH3+])CC1 ZINC001171182796 931823128 /nfs/dbraw/zinc/82/31/28/931823128.db2.gz YQWYZPDCKCOFCK-AWEZNQCLSA-N 2 0 272.396 1.066 20 30 CDEDRP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146408395 932245273 /nfs/dbraw/zinc/24/52/73/932245273.db2.gz IMAROQXJOVDOTF-HUUCEWRRSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCn1ccnc1 ZINC001146707029 932285327 /nfs/dbraw/zinc/28/53/27/932285327.db2.gz MLERNTQFSSIHFG-KBPBESRZSA-N 2 0 278.400 1.722 20 30 CDEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210554 932666506 /nfs/dbraw/zinc/66/65/06/932666506.db2.gz QCAIGFOCPDHPTH-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001148292529 932691541 /nfs/dbraw/zinc/69/15/41/932691541.db2.gz JQHRCHBDCWLPAI-UHFFFAOYSA-N 2 0 293.455 1.685 20 30 CDEDRP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000924753306 932819281 /nfs/dbraw/zinc/81/92/81/932819281.db2.gz CWPIOHYYISPUMA-QWHCGFSZSA-N 2 0 253.390 1.361 20 30 CDEDRP C[C@@H](C[NH2+][C@@H](C)CC(C)(C)C#N)CN1CC[NH+](C)CC1 ZINC000924952692 932836123 /nfs/dbraw/zinc/83/61/23/932836123.db2.gz YQNSYJNTEPSDES-GJZGRUSLSA-N 2 0 280.460 1.788 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086875205 932838599 /nfs/dbraw/zinc/83/85/99/932838599.db2.gz KMXQCFBVANAOEA-RRFJBIMHSA-N 2 0 279.428 1.389 20 30 CDEDRP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001091782774 932884644 /nfs/dbraw/zinc/88/46/44/932884644.db2.gz FGUYUZSORLXJOQ-INMHGKMJSA-N 2 0 291.439 1.130 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001111309224 934549562 /nfs/dbraw/zinc/54/95/62/934549562.db2.gz MEJJCQDCNBPBSC-MCIONIFRSA-N 2 0 265.401 1.236 20 30 CDEDRP CC(C)[N@H+](C)CCC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC001120569557 937811505 /nfs/dbraw/zinc/81/15/05/937811505.db2.gz BMSUGGJDEGDXNX-ZDUSSCGKSA-N 2 0 255.406 1.607 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H](C)C[NH+]1CCCCC1 ZINC000303871792 935046273 /nfs/dbraw/zinc/04/62/73/935046273.db2.gz GBJGBZUDVLPRMV-QWHCGFSZSA-N 2 0 270.421 1.048 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001008532439 935405702 /nfs/dbraw/zinc/40/57/02/935405702.db2.gz NRIFEBDDKPNDAM-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001019290183 935699810 /nfs/dbraw/zinc/69/98/10/935699810.db2.gz UTCRWXKIRLCEHU-IHRRRGAJSA-N 2 0 299.846 1.660 20 30 CDEDRP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001041684216 935802346 /nfs/dbraw/zinc/80/23/46/935802346.db2.gz BUIBCSHDUAABLL-DOTOQJQBSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001095962706 935846094 /nfs/dbraw/zinc/84/60/94/935846094.db2.gz ATMWTZNLDIQNKX-PMPSAXMXSA-N 2 0 291.439 1.626 20 30 CDEDRP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046330634 935941616 /nfs/dbraw/zinc/94/16/16/935941616.db2.gz OYBPWJKYDOBFQB-UXLLHSPISA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001049994955 936198770 /nfs/dbraw/zinc/19/87/70/936198770.db2.gz CRRUZHWKLRGVSD-HRCADAONSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001120835060 937840579 /nfs/dbraw/zinc/84/05/79/937840579.db2.gz UUINUYCMHIZNJA-UKEPKTAJSA-N 2 0 291.439 1.674 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC001121957260 937894242 /nfs/dbraw/zinc/89/42/42/937894242.db2.gz RBYFWGZYWSMPJW-ILXRZTDVSA-N 2 0 279.428 1.613 20 30 CDEDRP N#Cc1cc(Cl)nc(NC(=[NH2+])NCCCC[NH3+])c1 ZINC001157093815 938453060 /nfs/dbraw/zinc/45/30/60/938453060.db2.gz FNZIHUOVGPJOLS-UHFFFAOYSA-N 2 0 266.736 1.282 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158098333 938582415 /nfs/dbraw/zinc/58/24/15/938582415.db2.gz IDAARUSKHHCIPN-HNNXBMFYSA-N 2 0 293.455 1.923 20 30 CDEDRP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001159628781 938742510 /nfs/dbraw/zinc/74/25/10/938742510.db2.gz PWMMXYSHSPHSSC-INIZCTEOSA-N 2 0 289.423 1.242 20 30 CDEDRP C=C(C)CN(CC)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160687840 938814624 /nfs/dbraw/zinc/81/46/24/938814624.db2.gz JHOJAWQQXDVOSY-ZDUSSCGKSA-N 2 0 265.401 1.285 20 30 CDEDRP N#Cc1cnc(Cl)cc1NCCC[NH2+]CCCC[NH3+] ZINC001162289316 938971921 /nfs/dbraw/zinc/97/19/21/938971921.db2.gz OCTILGPXLQNSLN-UHFFFAOYSA-N 2 0 281.791 1.737 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(OC)c(C#N)cn1 ZINC001163123242 939205288 /nfs/dbraw/zinc/20/52/88/939205288.db2.gz ZUKHSBUUFGHZOZ-UHFFFAOYSA-N 2 0 290.371 1.240 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001163297757 939241709 /nfs/dbraw/zinc/24/17/09/939241709.db2.gz RYPPNJSBSLYOIJ-UHFFFAOYSA-N 2 0 267.417 1.533 20 30 CDEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203520001 939691023 /nfs/dbraw/zinc/69/10/23/939691023.db2.gz CJEUBHFYADEVNX-LSDHHAIUSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203630914 939698317 /nfs/dbraw/zinc/69/83/17/939698317.db2.gz JGGVZKDRYRTBRT-HUUCEWRRSA-N 2 0 293.455 1.921 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001205524597 939896228 /nfs/dbraw/zinc/89/62/28/939896228.db2.gz RCNNYSWXNBRKPP-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP N#Cc1cccc(CN2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205763474 939933280 /nfs/dbraw/zinc/93/32/80/939933280.db2.gz QCXKOTWZGFGZDT-ZDUSSCGKSA-N 2 0 265.307 1.974 20 30 CDEDRP Cn1cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)cc1C#N ZINC001207108541 940150957 /nfs/dbraw/zinc/15/09/57/940150957.db2.gz FESUXFVNPPXMCX-UHFFFAOYSA-N 2 0 258.369 1.424 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001208563874 940340656 /nfs/dbraw/zinc/34/06/56/940340656.db2.gz GMFQCPITINPHAV-HNNXBMFYSA-N 2 0 296.374 1.552 20 30 CDEDRP CC[NH+]1CCC(C[N@@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001208596507 940345504 /nfs/dbraw/zinc/34/55/04/940345504.db2.gz RDYLMGGZEDGPCH-CQSZACIVSA-N 2 0 280.437 1.992 20 30 CDEDRP C=CCN(CC[NH+]1CCC(C[NH+](C)C)CC1)C(=O)OCC ZINC001209022270 940425031 /nfs/dbraw/zinc/42/50/31/940425031.db2.gz TYHWVABNGUDBRF-UHFFFAOYSA-N 2 0 297.443 1.905 20 30 CDEDRP C=CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213764750 940785442 /nfs/dbraw/zinc/78/54/42/940785442.db2.gz ASVLPTPFDYNYNY-HUUCEWRRSA-N 2 0 297.443 1.110 20 30 CDEDRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000402181304 940890566 /nfs/dbraw/zinc/89/05/66/940890566.db2.gz WFVNETZNILWLJN-CVEARBPZSA-N 2 0 275.396 1.897 20 30 CDEDRP N#C[C@@H](NC(=O)C[C@@H]([NH3+])CCCC[NH3+])c1ccccc1 ZINC001219558837 941355233 /nfs/dbraw/zinc/35/52/33/941355233.db2.gz XFYYOLKPFUUZFX-UONOGXRCSA-N 2 0 274.368 1.214 20 30 CDEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1ccc(C#N)c(F)c1 ZINC001220449070 941448273 /nfs/dbraw/zinc/44/82/73/941448273.db2.gz ISVYNBCYOYBCNS-AWEZNQCLSA-N 2 0 292.358 1.031 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001220868394 941478972 /nfs/dbraw/zinc/47/89/72/941478972.db2.gz IBXBZVJWUSLWHO-QWHCGFSZSA-N 2 0 267.417 1.517 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(C(C)C)CCC[NH2+]C1 ZINC001220868111 941479111 /nfs/dbraw/zinc/47/91/11/941479111.db2.gz BMXHLEXNXBUTQP-RDJZCZTQSA-N 2 0 293.455 1.779 20 30 CDEDRP C#CC[C@]1(C(=O)NC[C@]2(CC3CC3)CCC[NH2+]2)CCC[NH2+]1 ZINC001221248246 941507259 /nfs/dbraw/zinc/50/72/59/941507259.db2.gz OQRGWBDFEWUSBM-IAGOWNOFSA-N 2 0 289.423 1.170 20 30 CDEDRP C=CCCCCC[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222086045 941561615 /nfs/dbraw/zinc/56/16/15/941561615.db2.gz RKUJIWFICDPDNI-UHFFFAOYSA-N 2 0 251.418 1.760 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001223472368 941679929 /nfs/dbraw/zinc/67/99/29/941679929.db2.gz PCRAWAYLAIUULH-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228262693 942285850 /nfs/dbraw/zinc/28/58/50/942285850.db2.gz XJUDSQNFQDLPKW-HUUCEWRRSA-N 2 0 279.428 1.369 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)CCn2ccnc2)CC1 ZINC001228534175 942331908 /nfs/dbraw/zinc/33/19/08/942331908.db2.gz CMNZTBHPMXXQSN-UHFFFAOYSA-N 2 0 290.411 1.820 20 30 CDEDRP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001316614752 942625403 /nfs/dbraw/zinc/62/54/03/942625403.db2.gz HWZDJRNHFPJJFV-LVQVYYBASA-N 2 0 293.455 1.777 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1CCC ZINC001263104373 943746347 /nfs/dbraw/zinc/74/63/47/943746347.db2.gz FNOWXDOPSKICKC-CHWSQXEVSA-N 2 0 253.390 1.271 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC001263111401 943751710 /nfs/dbraw/zinc/75/17/10/943751710.db2.gz BUPIOOVWSGEQPP-KBPBESRZSA-N 2 0 267.417 1.613 20 30 CDEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235356761 944134546 /nfs/dbraw/zinc/13/45/46/944134546.db2.gz YQVHZVBMIWPKTD-LSDHHAIUSA-N 2 0 279.428 1.435 20 30 CDEDRP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](CCCC#N)C2 ZINC001277945076 944154246 /nfs/dbraw/zinc/15/42/46/944154246.db2.gz LJSSFDJBSFYYSB-MRXNPFEDSA-N 2 0 278.444 1.640 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001235513371 944182256 /nfs/dbraw/zinc/18/22/56/944182256.db2.gz OMCBHMMWIQVFAL-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C[NH+](C)CCN1CC[C@H]2C[N@@H+](CCCCC#N)C[C@H]2CC1 ZINC001277951001 944183317 /nfs/dbraw/zinc/18/33/17/944183317.db2.gz BMBQZBLGLIUBED-CALCHBBNSA-N 2 0 292.471 1.886 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001258722929 945392494 /nfs/dbraw/zinc/39/24/94/945392494.db2.gz WNQIGFWBISRDOB-SYQHCUMBSA-N 2 0 256.390 1.656 20 30 CDEDRP N#C[C@H]1CC[C@@H]([N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001254647405 947569915 /nfs/dbraw/zinc/56/99/15/947569915.db2.gz CKBXQYFPMKWHPD-XDQVBPFNSA-N 2 0 263.385 1.649 20 30 CDEDRP C=CCCCCCC[C@@H](O)C[NH2+]CCCNCCC[NH3+] ZINC001246011549 947891271 /nfs/dbraw/zinc/89/12/71/947891271.db2.gz WIENZBOIPDZGDT-MRXNPFEDSA-N 2 0 285.476 1.792 20 30 CDEDRP C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246024221 947903946 /nfs/dbraw/zinc/90/39/46/947903946.db2.gz RCAYDYCOJLGKDQ-RBSFLKMASA-N 2 0 270.417 1.268 20 30 CDEDRP C[C@@H]1C[C@H]([NH2+]CCOc2cccc(C#N)c2)CC[NH2+]1 ZINC001246328538 948108317 /nfs/dbraw/zinc/10/83/17/948108317.db2.gz YTRAYNOEOLOBGV-TZMCWYRMSA-N 2 0 259.353 1.667 20 30 CDEDRP CC[NH+](CC)CC[C@@H](C)NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001255950492 948136441 /nfs/dbraw/zinc/13/64/41/948136441.db2.gz IGEXHLXRIIYODH-GFCCVEGCSA-N 2 0 290.411 1.611 20 30 CDEDRP N#C[C@@H]1C[C@H]([NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)CCN1 ZINC001246666650 948396717 /nfs/dbraw/zinc/39/67/17/948396717.db2.gz ROEHJXDFPWDOMH-XHSDSOJGSA-N 2 0 276.428 1.485 20 30 CDEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246766741 948430663 /nfs/dbraw/zinc/43/06/63/948430663.db2.gz LBRAIURGEJHGAO-QZWWFDLISA-N 2 0 294.439 1.953 20 30 CDEDRP N#Cc1ccc(F)c(-c2noc([C@H]3C[NH2+]CC34C[NH2+]C4)n2)c1 ZINC001247829835 948804246 /nfs/dbraw/zinc/80/42/46/948804246.db2.gz JYFJUONFVCVRKM-LLVKDONJSA-N 2 0 299.309 1.024 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001252494278 951366379 /nfs/dbraw/zinc/36/63/79/951366379.db2.gz XIGKCWWXPWHAGW-AWEZNQCLSA-N 2 0 284.444 1.791 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001421005659 963411212 /nfs/dbraw/zinc/41/12/12/963411212.db2.gz MGGBLWGMMSDLSI-ZDUSSCGKSA-N 2 0 299.846 1.852 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001341715291 963520570 /nfs/dbraw/zinc/52/05/70/963520570.db2.gz TYLYFNHZNOGFSM-GJZGRUSLSA-N 2 0 279.428 1.614 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001341777906 963539141 /nfs/dbraw/zinc/53/91/41/963539141.db2.gz NHPAODGEVWOILQ-PMPSAXMXSA-N 2 0 293.455 1.908 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001100457125 968409085 /nfs/dbraw/zinc/40/90/85/968409085.db2.gz PYUDXHKIKKTKKV-UHFFFAOYSA-N 2 0 279.428 1.224 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001100606377 968787662 /nfs/dbraw/zinc/78/76/62/968787662.db2.gz AZIDVWQXYLYYBO-UIDBIOKJSA-N 2 0 293.455 1.777 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001100680966 968937649 /nfs/dbraw/zinc/93/76/49/968937649.db2.gz ONKNALITJOITRB-UHFFFAOYSA-N 2 0 291.439 1.226 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132931485 1163511415 /nfs/dbraw/zinc/51/14/15/1163511415.db2.gz AFXNMKXGAKUVTP-LSDHHAIUSA-N 2 0 293.455 1.424 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001133073272 1163552374 /nfs/dbraw/zinc/55/23/74/1163552374.db2.gz SBGNFPBUOVWFGS-CVEARBPZSA-N 2 0 293.455 1.426 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001133347760 1163649891 /nfs/dbraw/zinc/64/98/91/1163649891.db2.gz ZHJHCCYTALROPI-LSDHHAIUSA-N 2 0 279.428 1.034 20 30 CDEDRP C=CC[C@H](C(=O)OC)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC001574887815 1171036970 /nfs/dbraw/zinc/03/69/70/1171036970.db2.gz CMYQKLKPMLXMJL-LSDHHAIUSA-N 2 0 280.412 1.816 20 30 CDEDRP CC[C@H](C#N)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000593464510 342803855 /nfs/dbraw/zinc/80/38/55/342803855.db2.gz KTAPJGBOCRXTOM-CQSZACIVSA-N 2 0 282.432 1.268 20 30 CDEDRP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000595611908 343109223 /nfs/dbraw/zinc/10/92/23/343109223.db2.gz OWXOOQBHQSXOBM-LSDHHAIUSA-N 2 0 292.427 1.165 20 30 CDEDRP CC[NH+]1CCC(C[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598719853 343883116 /nfs/dbraw/zinc/88/31/16/343883116.db2.gz KDYVLTDTHDFWJT-CQSZACIVSA-N 2 0 267.417 1.609 20 30 CDEDRP C[C@@H](CCC#N)C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000602508284 344457967 /nfs/dbraw/zinc/45/79/67/344457967.db2.gz LWIONNDEDBNHRX-AWEZNQCLSA-N 2 0 266.433 1.542 20 30 CDEDRP C[C@@H](CCC#N)C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000602548993 344463924 /nfs/dbraw/zinc/46/39/24/344463924.db2.gz QAUFVBNAZNDORN-LSDHHAIUSA-N 2 0 278.444 1.684 20 30 CDEDRP CC1(C#N)CCC([NH2+][C@@H]2CCCN(CCCO)C2)CC1 ZINC000449396215 362691684 /nfs/dbraw/zinc/69/16/84/362691684.db2.gz KSNZXJSTJRCLHC-HWOWSKLDSA-N 2 0 279.428 1.895 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccco1 ZINC000066244980 348977321 /nfs/dbraw/zinc/97/73/21/348977321.db2.gz OKOZMEIQEWEPRE-LLVKDONJSA-N 2 0 250.346 1.168 20 30 CDEDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602516354 350116343 /nfs/dbraw/zinc/11/63/43/350116343.db2.gz ZMWBBQATUVIQRS-AWEZNQCLSA-N 2 0 287.411 1.069 20 30 CDEDRP CC[NH+]1CCN(CCC[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602594447 350130611 /nfs/dbraw/zinc/13/06/11/350130611.db2.gz WPTDOLPUGDPIIF-UHFFFAOYSA-N 2 0 287.411 1.070 20 30 CDEDRP COCC[N@H+](C)CCCNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000264070289 362958477 /nfs/dbraw/zinc/95/84/77/362958477.db2.gz DBDUFTLGLZNJLJ-UHFFFAOYSA-N 2 0 294.399 1.390 20 30 CDEDRP CCNC(=[NH2+])NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000264093866 362965500 /nfs/dbraw/zinc/96/55/00/362965500.db2.gz LZQCXUJFYONDMN-GFCCVEGCSA-N 2 0 280.441 1.884 20 30 CDEDRP CCC[N@H+](C)CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000355468454 366102526 /nfs/dbraw/zinc/10/25/26/366102526.db2.gz DZSQPJXADDILNF-UHFFFAOYSA-N 2 0 268.405 1.022 20 30 CDEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)s1 ZINC000185862247 357586233 /nfs/dbraw/zinc/58/62/33/357586233.db2.gz SCAIBOSQRKNMNI-ZDUSSCGKSA-N 2 0 292.452 1.735 20 30 CDEDRP CN(Cc1ccc(C#N)cn1)C[C@@H]1CCC[N@H+](C)C1 ZINC000566413645 357664484 /nfs/dbraw/zinc/66/44/84/357664484.db2.gz HADCUTZOUKJWRC-CQSZACIVSA-N 2 0 258.369 1.727 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000358816108 367906794 /nfs/dbraw/zinc/90/67/94/367906794.db2.gz RLJUWNAZPGOOPB-ZDUSSCGKSA-N 2 0 282.432 1.276 20 30 CDEDRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000361430868 368817618 /nfs/dbraw/zinc/81/76/18/368817618.db2.gz BGNHZWOPGSLDAK-LSDHHAIUSA-N 2 0 279.428 1.894 20 30 CDEDRP C=CCC[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000276439079 193331774 /nfs/dbraw/zinc/33/17/74/193331774.db2.gz OLOHCPMIIWOVHC-MRXNPFEDSA-N 2 0 289.423 1.913 20 30 CDEDRP C=CCNC(=O)[C@@H](C)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246922071 377018365 /nfs/dbraw/zinc/01/83/65/377018365.db2.gz DDIGBRGOLOFRQA-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000417518814 377821220 /nfs/dbraw/zinc/82/12/20/377821220.db2.gz DDSOBQOCBNBQSU-AWEZNQCLSA-N 2 0 294.443 1.326 20 30 CDEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)o1)CN1CCOCC1 ZINC000174417664 379473974 /nfs/dbraw/zinc/47/39/74/379473974.db2.gz IGVNGKOOCLSBOH-LBPRGKRZSA-N 2 0 263.341 1.209 20 30 CDEDRP C[C@@H](CNC(=[NH2+])N(C)C1CC1)N1CCc2sccc2C1 ZINC000262162409 391029492 /nfs/dbraw/zinc/02/94/92/391029492.db2.gz BEENISBKTFBUHT-NSHDSACASA-N 2 0 292.452 1.904 20 30 CDEDRP C[NH+]=C(NCc1ccoc1)NCC1([NH+](C)C)CCOCC1 ZINC000176406883 391151586 /nfs/dbraw/zinc/15/15/86/391151586.db2.gz HKIBKUZNRSKUOU-UHFFFAOYSA-N 2 0 294.399 1.055 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1ccccn1 ZINC000269371611 391248275 /nfs/dbraw/zinc/24/82/75/391248275.db2.gz MIDIFZYZOFDFLZ-HNNXBMFYSA-N 2 0 289.427 1.403 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647797097 391649721 /nfs/dbraw/zinc/64/97/21/391649721.db2.gz YVWXBWQRIFUWNS-QCODTGAPSA-N 2 0 264.413 1.945 20 30 CDEDRP C[C@H]1C[NH+]=C(NCC(C)(C)N2CCc3ccccc3C2)N1 ZINC000262678704 391811244 /nfs/dbraw/zinc/81/12/44/391811244.db2.gz VBQLLTICQDEBBO-ZDUSSCGKSA-N 2 0 286.423 1.761 20 30 CDEDRP C[C@H]1C[NH+]=C(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)N1 ZINC000262685703 391812881 /nfs/dbraw/zinc/81/28/81/391812881.db2.gz YIFJCTGQSHYDLM-STQMWFEESA-N 2 0 292.452 1.897 20 30 CDEDRP CC(C)([NH3+])C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423286671 392960920 /nfs/dbraw/zinc/96/09/20/392960920.db2.gz ICGYJYACVRCAAJ-UHFFFAOYSA-N 2 0 272.396 1.854 20 30 CDEDRP C=CCC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)C1CC1 ZINC000665291898 414030914 /nfs/dbraw/zinc/03/09/14/414030914.db2.gz NNWIRGIUYUFILB-GFCCVEGCSA-N 2 0 262.357 1.475 20 30 CDEDRP C=CCN(CC=C)[C@H](CNC1=[NH+]C[C@@H](C)N1)C(C)C ZINC000285023397 263089395 /nfs/dbraw/zinc/08/93/95/263089395.db2.gz JIGWIERICFAUBP-ZIAGYGMSSA-N 2 0 264.417 1.622 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000417536970 264427683 /nfs/dbraw/zinc/42/76/83/264427683.db2.gz YYJQQSFHBMEXCM-UONOGXRCSA-N 2 0 294.443 1.263 20 30 CDEDRP C=CC[C@]1(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662679967 424300370 /nfs/dbraw/zinc/30/03/70/424300370.db2.gz QNYHMOZUAQQWHR-ZMSDIMECSA-N 2 0 293.455 1.921 20 30 CDEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCCC#N)C1 ZINC000350366293 528146054 /nfs/dbraw/zinc/14/60/54/528146054.db2.gz MATHRHKTAVJOAL-CQSZACIVSA-N 2 0 253.390 1.723 20 30 CDEDRP C[NH+](C)C1(CNC(=[NH2+])Nc2ccccn2)CCCC1 ZINC000262254440 330002924 /nfs/dbraw/zinc/00/29/24/330002924.db2.gz IXIYTPBYJLJISZ-UHFFFAOYSA-N 2 0 261.373 1.683 20 30 CDEDRP CC[NH+]=C(NCC(C)C)N[C@@H]1CCN(C2CC2)C1 ZINC000262828924 330034442 /nfs/dbraw/zinc/03/44/42/330034442.db2.gz UOGHUSUTDAOSES-GFCCVEGCSA-N 2 0 252.406 1.434 20 30 CDEDRP [NH2+]=C(NCCc1cn2ccccc2n1)N1CCSCC1 ZINC000263280142 330051556 /nfs/dbraw/zinc/05/15/56/330051556.db2.gz ZWXSRCYKPKMXSG-UHFFFAOYSA-N 2 0 289.408 1.240 20 30 CDEDRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424142994 330286672 /nfs/dbraw/zinc/28/66/72/330286672.db2.gz JFTPRDQOJSAFAS-ZIAGYGMSSA-N 2 0 280.416 1.198 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000424144886 330290070 /nfs/dbraw/zinc/29/00/70/330290070.db2.gz MLKFKSXUOIWHBE-HUUCEWRRSA-N 2 0 292.427 1.342 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000424161707 330307282 /nfs/dbraw/zinc/30/72/82/330307282.db2.gz VYOCOGAFSWATLJ-OAHLLOKOSA-N 2 0 292.427 1.484 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000424166231 330309265 /nfs/dbraw/zinc/30/92/65/330309265.db2.gz GOLQHSUQDINILW-HUUCEWRRSA-N 2 0 286.379 1.011 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1 ZINC001754980945 1159494373 /nfs/dbraw/zinc/49/43/73/1159494373.db2.gz XFUCFJJXYHBQQK-UONOGXRCSA-N 2 0 279.428 1.531 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@H]1C ZINC001088858199 1161022900 /nfs/dbraw/zinc/02/29/00/1161022900.db2.gz SJIKCVOVHBBQDJ-ZNMIVQPWSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CCC[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001753726263 1185318848 /nfs/dbraw/zinc/31/88/48/1185318848.db2.gz IIEFDDXMDDHXOL-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001690045217 1175355098 /nfs/dbraw/zinc/35/50/98/1175355098.db2.gz NEWYWGDHOUMETH-ZDUSSCGKSA-N 2 0 253.390 1.095 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947614978 613222217 /nfs/dbraw/zinc/22/22/17/613222217.db2.gz BWZLXSQPPZXHIQ-LSDHHAIUSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942555460 613256451 /nfs/dbraw/zinc/25/64/51/613256451.db2.gz KMIFEOKCUBLWSA-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980406702 613288760 /nfs/dbraw/zinc/28/87/60/613288760.db2.gz RESAUXXMRGTTER-AWEZNQCLSA-N 2 0 265.401 1.191 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942597717 613335014 /nfs/dbraw/zinc/33/50/14/613335014.db2.gz MMYLXELIVZUQRJ-ZBFHGGJFSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC000978346259 613343809 /nfs/dbraw/zinc/34/38/09/613343809.db2.gz IKCOWBGPECMECJ-LVQVYYBASA-N 2 0 291.439 1.341 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977503135 613543473 /nfs/dbraw/zinc/54/34/73/613543473.db2.gz UWWIVDLZTGAHLS-CQSZACIVSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[NH+]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977455008 613553770 /nfs/dbraw/zinc/55/37/70/613553770.db2.gz QSHLCHRONINCLJ-GJZGRUSLSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978662771 613560322 /nfs/dbraw/zinc/56/03/22/613560322.db2.gz BZUQROGXPUUECI-PHZGNYQRSA-N 2 0 291.439 1.198 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000972335089 613612383 /nfs/dbraw/zinc/61/23/83/613612383.db2.gz MTOOOIRTVMDXCH-UONOGXRCSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000971678502 613615193 /nfs/dbraw/zinc/61/51/93/613615193.db2.gz NAIJJWBPYIGSKO-ZIAGYGMSSA-N 2 0 265.401 1.045 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000971862300 613626443 /nfs/dbraw/zinc/62/64/43/613626443.db2.gz YKMHSAFCYUABPP-AWEZNQCLSA-N 2 0 277.412 1.334 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000943332970 613780703 /nfs/dbraw/zinc/78/07/03/613780703.db2.gz GSOLEZDSKVXFDM-HOCLYGCPSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC000965065711 613858585 /nfs/dbraw/zinc/85/85/85/613858585.db2.gz ZAHVTULAXGRHIZ-BJOWLINFSA-N 2 0 291.439 1.387 20 30 CDEDRP CC1(C)[NH2+]CC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000925608672 617553313 /nfs/dbraw/zinc/55/33/13/617553313.db2.gz HHYMYEIAYOZUJT-OAHLLOKOSA-N 2 0 299.422 1.652 20 30 CDEDRP CC[NH+]1CCN(CCC[NH2+]CC#Cc2ccccc2)CC1 ZINC000893328433 617580996 /nfs/dbraw/zinc/58/09/96/617580996.db2.gz XYBYMJWVRRIBRY-UHFFFAOYSA-N 2 0 285.435 1.655 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CC)C[C@H]2C)CC1 ZINC000910287019 628962692 /nfs/dbraw/zinc/96/26/92/628962692.db2.gz JLLJUAWQFKDLOC-OAHLLOKOSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CCO[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000835013198 631559699 /nfs/dbraw/zinc/55/96/99/631559699.db2.gz LFZAOVWHCJDUCP-UHFFFAOYSA-N 2 0 259.353 1.975 20 30 CDEDRP C[NH+]=C(NCCC(F)(F)F)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000153533426 631683483 /nfs/dbraw/zinc/68/34/83/631683483.db2.gz QTGINJHVDMYKIM-LLVKDONJSA-N 2 0 290.333 1.460 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001000194496 695239807 /nfs/dbraw/zinc/23/98/07/695239807.db2.gz VUQFNAIJVCSMGF-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001005590281 695268892 /nfs/dbraw/zinc/26/88/92/695268892.db2.gz XSGLXZZBGKTNNA-INIZCTEOSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCn2ccnc2)[C@H]1C ZINC000986628111 695320853 /nfs/dbraw/zinc/32/08/53/695320853.db2.gz IXMODDJVFKEALA-STQMWFEESA-N 2 0 296.802 1.605 20 30 CDEDRP CNC(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)=[NH+]C ZINC000386520743 695333242 /nfs/dbraw/zinc/33/32/42/695333242.db2.gz YSLQJQYLYOCBQD-OAHLLOKOSA-N 2 0 274.412 1.693 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001036294517 695348650 /nfs/dbraw/zinc/34/86/50/695348650.db2.gz RWVLOCARUMXZLG-OCCSQVGLSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008405669 695364569 /nfs/dbraw/zinc/36/45/69/695364569.db2.gz LFJMYJYSJDNRRL-CQSZACIVSA-N 2 0 265.401 1.095 20 30 CDEDRP CCN(CC)C(=[NH2+])NCCC[NH+]1CCC(C)CC1 ZINC000104157349 695425534 /nfs/dbraw/zinc/42/55/34/695425534.db2.gz CQTKRZILVLWBSJ-UHFFFAOYSA-N 2 0 254.422 1.765 20 30 CDEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001026139788 695443252 /nfs/dbraw/zinc/44/32/52/695443252.db2.gz SRNTXFWEVZDQMZ-ZVDSWSACSA-N 2 0 291.439 1.339 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC000999316685 695472243 /nfs/dbraw/zinc/47/22/43/695472243.db2.gz IGWHUCCLBRMGTI-UHFFFAOYSA-N 2 0 291.395 1.720 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995895943 695497992 /nfs/dbraw/zinc/49/79/92/695497992.db2.gz NEDZJEJIPQCBTR-ZIAGYGMSSA-N 2 0 279.428 1.339 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001036896498 695526546 /nfs/dbraw/zinc/52/65/46/695526546.db2.gz PJBSKBSQVPAISP-JKSUJKDBSA-N 2 0 291.439 1.581 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000821213705 695540311 /nfs/dbraw/zinc/54/03/11/695540311.db2.gz OCIQRWQGOYMPPH-UHFFFAOYSA-N 2 0 299.418 1.640 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000999366789 695621618 /nfs/dbraw/zinc/62/16/18/695621618.db2.gz ZZKNXOSOOUGQTM-ZDUSSCGKSA-N 2 0 299.846 1.804 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000996691083 695622660 /nfs/dbraw/zinc/62/26/60/695622660.db2.gz SAFUHIFQHMBGBG-HNNXBMFYSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001020352878 695629621 /nfs/dbraw/zinc/62/96/21/695629621.db2.gz DBLKSBJBFYYCNI-HDJSIYSDSA-N 2 0 284.363 1.761 20 30 CDEDRP Cc1nccn1CCCCNC(=[NH2+])N1CCSCC1 ZINC000304758282 695639899 /nfs/dbraw/zinc/63/98/99/695639899.db2.gz PUHUHMVMRQDIKL-UHFFFAOYSA-N 2 0 281.429 1.335 20 30 CDEDRP C[NH+]1CCN(c2ccc(C=[NH+]N[C@H]3CCOC3)cc2)CC1 ZINC000788446381 695729327 /nfs/dbraw/zinc/72/93/27/695729327.db2.gz KZMAMVDDLYXNHI-HNNXBMFYSA-N 2 0 288.395 1.151 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001001264690 695747731 /nfs/dbraw/zinc/74/77/31/695747731.db2.gz ORUQOVYSQOJQRC-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001028662496 695801465 /nfs/dbraw/zinc/80/14/65/695801465.db2.gz YDXJTFWMEYQCAZ-ZDUSSCGKSA-N 2 0 282.347 1.019 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1ncc[nH]1 ZINC001049446527 695838097 /nfs/dbraw/zinc/83/80/97/695838097.db2.gz IYVTVRUAMGKGND-KGLIPLIRSA-N 2 0 288.395 1.594 20 30 CDEDRP C#CCN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000886208919 695840495 /nfs/dbraw/zinc/84/04/95/695840495.db2.gz ADRUMHDXTNULGQ-OWCLPIDISA-N 2 0 261.413 1.300 20 30 CDEDRP C=CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033420445 695842254 /nfs/dbraw/zinc/84/22/54/695842254.db2.gz OZBLWSGUZKMHEX-ZIAGYGMSSA-N 2 0 265.401 1.047 20 30 CDEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001031776827 695844687 /nfs/dbraw/zinc/84/46/87/695844687.db2.gz PHOGVVIQQUPDLQ-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C#CC(C)(C)C ZINC000837413989 695847939 /nfs/dbraw/zinc/84/79/39/695847939.db2.gz MORNHXDQDJSOOK-UHFFFAOYSA-N 2 0 295.471 1.768 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001044796346 695859800 /nfs/dbraw/zinc/85/98/00/695859800.db2.gz JSEPUOGYZFMSQY-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP CN(CCNC(=[NH2+])N1CCCCC1)Cc1ccccc1 ZINC000303902603 695864188 /nfs/dbraw/zinc/86/41/88/695864188.db2.gz XXXXGURHQHQLFU-UHFFFAOYSA-N 2 0 274.412 1.919 20 30 CDEDRP C[C@H]1C[NH+]=C(NCCC[N@H+](C)C2CCCCC2)N1 ZINC000380817048 695876837 /nfs/dbraw/zinc/87/68/37/695876837.db2.gz VYSOVEAEQUVRKJ-LBPRGKRZSA-N 2 0 252.406 1.578 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCCCCC[NH+]1CCCCC1 ZINC000304759135 695876912 /nfs/dbraw/zinc/87/69/12/695876912.db2.gz QUVMKTVDGFFYGZ-AWEZNQCLSA-N 2 0 284.448 1.582 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015596507 695881126 /nfs/dbraw/zinc/88/11/26/695881126.db2.gz CDICVVOGGYRHTL-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001000028811 695909749 /nfs/dbraw/zinc/90/97/49/695909749.db2.gz VMIGTTASZYFUAX-AWEZNQCLSA-N 2 0 289.379 1.169 20 30 CDEDRP C#CCN1CCC[C@@H](NC(=O)NCC[N@@H+](C)[C@@H](C)CC)C1 ZINC000884128509 695932775 /nfs/dbraw/zinc/93/27/75/695932775.db2.gz GGEYGGQGPUFYQM-LSDHHAIUSA-N 2 0 294.443 1.114 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003633854 695977558 /nfs/dbraw/zinc/97/75/58/695977558.db2.gz IHKMKACORZWRHI-ZBFHGGJFSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001054910414 696047771 /nfs/dbraw/zinc/04/77/71/696047771.db2.gz ZVKQGXPLKHATHN-CJNGLKHVSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996299940 696176905 /nfs/dbraw/zinc/17/69/05/696176905.db2.gz HDCKINABNVCWGE-KGLIPLIRSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001019652250 696196630 /nfs/dbraw/zinc/19/66/30/696196630.db2.gz IZQYAVULNQQKST-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815476 1163066994 /nfs/dbraw/zinc/06/69/94/1163066994.db2.gz FJLRQRCJQBHEPP-UHFFFAOYSA-N 2 0 267.417 1.533 20 30 CDEDRP C=CC[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001755511947 1160204042 /nfs/dbraw/zinc/20/40/42/1160204042.db2.gz RPQFGKOVFGXFNG-CQSZACIVSA-N 2 0 281.444 1.921 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106322115 1161143497 /nfs/dbraw/zinc/14/34/97/1161143497.db2.gz KBHBWTLJOYBKKV-OAGGEKHMSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2nnnc2C[NH3+])cc1 ZINC001168923474 1161993177 /nfs/dbraw/zinc/99/31/77/1161993177.db2.gz KQILMKCWSJBRPC-CQSZACIVSA-N 2 0 284.367 1.444 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086699778 1163568059 /nfs/dbraw/zinc/56/80/59/1163568059.db2.gz GHXFHSYSBXCXGB-LXTVHRRPSA-N 2 0 279.428 1.387 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001133183374 1163598819 /nfs/dbraw/zinc/59/88/19/1163598819.db2.gz ZMACWHLFPOZVKW-JKSUJKDBSA-N 2 0 293.455 1.426 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001133274440 1163622618 /nfs/dbraw/zinc/62/26/18/1163622618.db2.gz IDXHETBSKKVWHU-CVEARBPZSA-N 2 0 293.455 1.426 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001133275606 1163622900 /nfs/dbraw/zinc/62/29/00/1163622900.db2.gz VEQJYTBOGGALHJ-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773144 1164104575 /nfs/dbraw/zinc/10/45/75/1164104575.db2.gz LYEIGGVYNGTKNA-ZIAGYGMSSA-N 2 0 281.444 1.613 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114410713 1164899817 /nfs/dbraw/zinc/89/98/17/1164899817.db2.gz ZCBVVXZPVDDAEY-FXUDXRNXSA-N 2 0 291.439 1.339 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155630538 1167269292 /nfs/dbraw/zinc/26/92/92/1167269292.db2.gz APOBRKPKJDJMMO-OAHLLOKOSA-N 2 0 293.455 1.568 20 30 CDEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001567218236 1168625712 /nfs/dbraw/zinc/62/57/12/1168625712.db2.gz GUAFGSKKMKDTLW-LSDHHAIUSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CC(C)(C)CCC[NH2+]C1CCN(CC[NH3+])CC1 ZINC001574872187 1171032909 /nfs/dbraw/zinc/03/29/09/1171032909.db2.gz JBZQTJJHNVWFLX-UHFFFAOYSA-N 2 0 253.434 1.992 20 30 CDEDRP CC#CC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001574962370 1171063744 /nfs/dbraw/zinc/06/37/44/1171063744.db2.gz KLCJXOBATOUECM-UKRRQHHQSA-N 2 0 277.412 1.060 20 30 CDEDRP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001714313817 1179080841 /nfs/dbraw/zinc/08/08/41/1179080841.db2.gz UCZBEEJHDVTXFA-RBSFLKMASA-N 2 0 279.428 1.367 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001752708605 1184896956 /nfs/dbraw/zinc/89/69/56/1184896956.db2.gz UUMKJYIDUMSLLY-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001752775771 1184909548 /nfs/dbraw/zinc/90/95/48/1184909548.db2.gz VQCHOYJWPBJLNB-ZQDZILKHSA-N 2 0 277.412 1.119 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001752841083 1184929650 /nfs/dbraw/zinc/92/96/50/1184929650.db2.gz OLVPQBPBYBCLFC-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001753014908 1184995377 /nfs/dbraw/zinc/99/53/77/1184995377.db2.gz TZYLUCSRGXIBIY-CZUORRHYSA-N 2 0 299.434 1.869 20 30 CDEDRP C=C(C)CC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001753074261 1185039852 /nfs/dbraw/zinc/03/98/52/1185039852.db2.gz FLEHHXDVESKYPB-HNNXBMFYSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CCC[N@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001753094621 1185055787 /nfs/dbraw/zinc/05/57/87/1185055787.db2.gz FAQFFMWJIFWYMU-INIZCTEOSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CC[NH+]1CCC(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001753597046 1185261825 /nfs/dbraw/zinc/26/18/25/1185261825.db2.gz NSJYUSUGVGHEOF-UHFFFAOYSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(C)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001753852894 1185362282 /nfs/dbraw/zinc/36/22/82/1185362282.db2.gz DNNQGIFHHQHOQM-OAHLLOKOSA-N 2 0 281.444 1.826 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001753896628 1185386259 /nfs/dbraw/zinc/38/62/59/1185386259.db2.gz WWTPCVFCVNIZMT-HOTGVXAUSA-N 2 0 291.439 1.226 20 30 CDEDRP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001754710787 1185711965 /nfs/dbraw/zinc/71/19/65/1185711965.db2.gz MTOWMBPMEPEFRS-INIZCTEOSA-N 2 0 291.439 1.487 20 30 CDEDRP CC#CC[NH2+]CC1(NC(=O)CC[N@@H+](C)CC)CCCCC1 ZINC001755354485 1185926515 /nfs/dbraw/zinc/92/65/15/1185926515.db2.gz LVFGOWHUHXTEOB-UHFFFAOYSA-N 2 0 293.455 1.760 20 30 CDEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001755383694 1185936627 /nfs/dbraw/zinc/93/66/27/1185936627.db2.gz WYUDLOMQSLLINU-AWEZNQCLSA-N 2 0 281.444 1.731 20 30 CDEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001755573591 1185994297 /nfs/dbraw/zinc/99/42/97/1185994297.db2.gz USSFZAUDPYYTLY-HZPDHXFCSA-N 2 0 291.439 1.319 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001755748663 1186056750 /nfs/dbraw/zinc/05/67/50/1186056750.db2.gz YALCVAROCZPBLY-CABCVRRESA-N 2 0 279.428 1.226 20 30 CDEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001755899579 1186105024 /nfs/dbraw/zinc/10/50/24/1186105024.db2.gz KWBPVDNUIURQBW-UHFFFAOYSA-N 2 0 277.412 1.407 20 30 CDEDRP CC[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCCC(C)C)C1 ZINC000303898652 1186580881 /nfs/dbraw/zinc/58/08/81/1186580881.db2.gz VORMCOHGKVFFAE-ZDUSSCGKSA-N 2 0 254.422 1.669 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001159149267 1164080521 /nfs/dbraw/zinc/08/05/21/1164080521.db2.gz XWIUGYZPYXFEHE-ZDUSSCGKSA-N 2 0 273.396 1.338 20 30 CDEDRP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001027981109 723742585 /nfs/dbraw/zinc/74/25/85/723742585.db2.gz JMVFEYHCYPZQGA-UONOGXRCSA-N 2 0 288.395 1.212 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC[C@H](C)[NH+]1CCCCC1 ZINC000848995469 723744254 /nfs/dbraw/zinc/74/42/54/723744254.db2.gz KTPSTTXNLXOWSC-ZDUSSCGKSA-N 2 0 278.400 1.819 20 30 CDEDRP C[NH+]=C(NCC1([NH+](C)C)CCCC1)NC[C@@]1(C)CCCO1 ZINC000261720494 723755201 /nfs/dbraw/zinc/75/52/01/723755201.db2.gz IHFVYQMIZOGLDR-OAHLLOKOSA-N 2 0 296.459 1.595 20 30 CDEDRP C#CCOCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000851886769 723772013 /nfs/dbraw/zinc/77/20/13/723772013.db2.gz SAZICJJOUKAWBK-UHFFFAOYSA-N 2 0 252.402 1.690 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)Cn2cncc2C)CC[C@@H]1C ZINC001071689986 723772865 /nfs/dbraw/zinc/77/28/65/723772865.db2.gz SPUQMWVTAMBUMD-ZFWWWQNUSA-N 2 0 288.395 1.184 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033069824 723773017 /nfs/dbraw/zinc/77/30/17/723773017.db2.gz LMQNDZGQFAUDFP-JKSUJKDBSA-N 2 0 293.455 1.968 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996516255 723787174 /nfs/dbraw/zinc/78/71/74/723787174.db2.gz YQHYWKPAXBHNMD-GJZGRUSLSA-N 2 0 293.455 1.731 20 30 CDEDRP COC(=O)C1(C#N)CC[NH+](CCCc2cncn2C)CC1 ZINC000846960449 723869259 /nfs/dbraw/zinc/86/92/59/723869259.db2.gz TZIXYVVJVQIZIO-UHFFFAOYSA-N 2 0 290.367 1.131 20 30 CDEDRP C#CCCCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000129140764 724108940 /nfs/dbraw/zinc/10/89/40/724108940.db2.gz BPJAMWHVQZMSSZ-CYBMUJFWSA-N 2 0 250.390 1.179 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001020719947 724454832 /nfs/dbraw/zinc/45/48/32/724454832.db2.gz SGACFSYVIVQBAG-VGWMRTNUSA-N 2 0 291.439 1.816 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC000999832719 724455664 /nfs/dbraw/zinc/45/56/64/724455664.db2.gz HGKGYQZOSNMKHZ-UHFFFAOYSA-N 2 0 285.819 1.414 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000985751499 724460865 /nfs/dbraw/zinc/46/08/65/724460865.db2.gz MTGOTBVCUFESNM-CQSZACIVSA-N 2 0 279.428 1.437 20 30 CDEDRP CC1CC[NH+](CCNC(=[NH2+])N2CCC[C@@H](C)C2)CC1 ZINC000303908549 726007025 /nfs/dbraw/zinc/00/70/25/726007025.db2.gz XPCDEHCQHQQSAF-CQSZACIVSA-N 2 0 266.433 1.765 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998722637 724580115 /nfs/dbraw/zinc/58/01/15/724580115.db2.gz PDTTYQZCKVPEGW-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C[C@@H]1CCCC[N@@H+]1CCCCNC1=[NH+]CCCN1C ZINC000848989608 724677033 /nfs/dbraw/zinc/67/70/33/724677033.db2.gz ZRPWRGUWXXJVOE-CQSZACIVSA-N 2 0 266.433 1.922 20 30 CDEDRP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028647289 724681947 /nfs/dbraw/zinc/68/19/47/724681947.db2.gz HABJCAOQNORUJY-HOTGVXAUSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[N@@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989492570 724747784 /nfs/dbraw/zinc/74/77/84/724747784.db2.gz OIQOJWWRKAXCKO-UHFFFAOYSA-N 2 0 277.412 1.193 20 30 CDEDRP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001023365887 724788899 /nfs/dbraw/zinc/78/88/99/724788899.db2.gz KZHQNAZJMDBSQQ-JKSUJKDBSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000997072340 724795713 /nfs/dbraw/zinc/79/57/13/724795713.db2.gz NBACBRBSJZWMEO-HNNXBMFYSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034130529 724821053 /nfs/dbraw/zinc/82/10/53/724821053.db2.gz IEDQRAAAJIXQQS-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C1=CC[N@H+](C)CC1 ZINC000819219982 723744307 /nfs/dbraw/zinc/74/43/07/723744307.db2.gz JHJMPIBWMPVFAA-SUMWQHHRSA-N 2 0 285.391 1.832 20 30 CDEDRP C#CC[NH+](C)C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000985646952 723761820 /nfs/dbraw/zinc/76/18/20/723761820.db2.gz MJJGUTUBZLJUCV-CQSZACIVSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CCN(C)CCC[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000926488879 723779374 /nfs/dbraw/zinc/77/93/74/723779374.db2.gz BHTHSNTVLCXKGP-SJORKVTESA-N 2 0 288.439 1.676 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035839550 723781011 /nfs/dbraw/zinc/78/10/11/723781011.db2.gz VQLZYTHDZMTYST-OAHLLOKOSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001072816829 723902346 /nfs/dbraw/zinc/90/23/46/723902346.db2.gz BJDJEOHUZWOPHS-UHFFFAOYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033534193 724046196 /nfs/dbraw/zinc/04/61/96/724046196.db2.gz KINKKQCVYGBKRR-OAHLLOKOSA-N 2 0 279.428 1.437 20 30 CDEDRP NC(=[NH2+])N=NC1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000781124000 724063102 /nfs/dbraw/zinc/06/31/02/724063102.db2.gz RUTAEIUKYLVWOK-KGLIPLIRSA-N 2 0 285.395 1.758 20 30 CDEDRP C[NH2+]Cc1ccccc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884013033 724087487 /nfs/dbraw/zinc/08/74/87/724087487.db2.gz ATMQPCQBWNMYAJ-UUCFBXCCSA-N 2 0 298.390 1.484 20 30 CDEDRP C=CC[N@H+]1C[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]2C1 ZINC001048939925 724259889 /nfs/dbraw/zinc/25/98/89/724259889.db2.gz YSLRICYKAUYJCO-GASCZTMLSA-N 2 0 296.374 1.524 20 30 CDEDRP C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001000101454 724283518 /nfs/dbraw/zinc/28/35/18/724283518.db2.gz RFYTZCXBGRSRNT-HNNXBMFYSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001001535358 724300943 /nfs/dbraw/zinc/30/09/43/724300943.db2.gz UTQWEOXDTVOUNR-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994257864 725081459 /nfs/dbraw/zinc/08/14/59/725081459.db2.gz USHRUQXRVCEKHJ-GJZGRUSLSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000989190680 725138055 /nfs/dbraw/zinc/13/80/55/725138055.db2.gz XBNLWUXPFDTSPP-JSGCOSHPSA-N 2 0 282.347 1.160 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001023446584 725145356 /nfs/dbraw/zinc/14/53/56/725145356.db2.gz SNEPFOYYQBAVRC-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001021088585 725185419 /nfs/dbraw/zinc/18/54/19/725185419.db2.gz UVHBUTIOYRDOAL-AAVRWANBSA-N 2 0 265.401 1.282 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001027650422 725192360 /nfs/dbraw/zinc/19/23/60/725192360.db2.gz GFEJYOZONVRJLL-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1(C)C ZINC000995828466 725192703 /nfs/dbraw/zinc/19/27/03/725192703.db2.gz YTWBWRNBDWZNKG-ZNMIVQPWSA-N 2 0 291.439 1.177 20 30 CDEDRP C=C(C)CCN1CC(N(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001044333298 725220293 /nfs/dbraw/zinc/22/02/93/725220293.db2.gz UWZGNZQQJHXMQJ-GASCZTMLSA-N 2 0 293.455 1.968 20 30 CDEDRP C[C@@H](CNC(=[NH2+])NCC1CCC1)C[NH+]1CCCCC1 ZINC000303902525 725226242 /nfs/dbraw/zinc/22/62/42/725226242.db2.gz XUIKKEGMAWJVKQ-ZDUSSCGKSA-N 2 0 266.433 1.813 20 30 CDEDRP C[NH+]=C(NCC[C@H](C)[NH+]1CCCCC1)NC1CC1 ZINC000305832840 725238322 /nfs/dbraw/zinc/23/83/22/725238322.db2.gz VEIYIABTKXJGRV-LBPRGKRZSA-N 2 0 252.406 1.578 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001835529 725241527 /nfs/dbraw/zinc/24/15/27/725241527.db2.gz WZSBTZOJRBNJMS-ZFWWWQNUSA-N 2 0 279.428 1.198 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001023367154 725269287 /nfs/dbraw/zinc/26/92/87/725269287.db2.gz WIOAFZRYFLLQKU-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001019810787 725277921 /nfs/dbraw/zinc/27/79/21/725277921.db2.gz KHPNNJANCLPHRQ-INIZCTEOSA-N 2 0 287.407 1.738 20 30 CDEDRP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001040112501 725307175 /nfs/dbraw/zinc/30/71/75/725307175.db2.gz AAQOJFXMDWUPKB-RDJZCZTQSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3cncn3C2)C1 ZINC000999536349 725328808 /nfs/dbraw/zinc/32/88/08/725328808.db2.gz OCQWTFHZSPVADC-UONOGXRCSA-N 2 0 288.395 1.212 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001027466401 725329219 /nfs/dbraw/zinc/32/92/19/725329219.db2.gz WDFYUQAMADSBAF-LSDHHAIUSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023126376 725360965 /nfs/dbraw/zinc/36/09/65/725360965.db2.gz TUQKHOYZPHSYRT-IYBDPMFKSA-N 2 0 287.407 1.785 20 30 CDEDRP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001028335679 725379964 /nfs/dbraw/zinc/37/99/64/725379964.db2.gz ZFMSNKQOZZQOQZ-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000933355006 725411902 /nfs/dbraw/zinc/41/19/02/725411902.db2.gz MPVKYSXPVPQWOK-INIZCTEOSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000998190507 725412116 /nfs/dbraw/zinc/41/21/16/725412116.db2.gz QIDFBJVVPCJSQS-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001027419769 725413617 /nfs/dbraw/zinc/41/36/17/725413617.db2.gz SXURXAIRIDHJPB-HRCADAONSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001018175835 725416800 /nfs/dbraw/zinc/41/68/00/725416800.db2.gz UDXAPMIHYMRTLP-OAGGEKHMSA-N 2 0 291.439 1.580 20 30 CDEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001073129163 725418845 /nfs/dbraw/zinc/41/88/45/725418845.db2.gz JHIFGUQCDCKHTJ-UHFFFAOYSA-N 2 0 289.423 1.193 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000989112151 725432231 /nfs/dbraw/zinc/43/22/31/725432231.db2.gz OAUAFRAYNLSFCV-TZMCWYRMSA-N 2 0 282.347 1.160 20 30 CDEDRP CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001032400341 725433358 /nfs/dbraw/zinc/43/33/58/725433358.db2.gz DHGXROUYCZWOPL-JYJNAYRXSA-N 2 0 289.423 1.168 20 30 CDEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1(C)C ZINC000996674747 725472879 /nfs/dbraw/zinc/47/28/79/725472879.db2.gz WFHBSUVSKWMTDL-CABCVRRESA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014723396 725494890 /nfs/dbraw/zinc/49/48/90/725494890.db2.gz OWLCEAHNBOZNDS-HOTGVXAUSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001054829776 725621652 /nfs/dbraw/zinc/62/16/52/725621652.db2.gz JBCAUKKIFZVPSN-MLGOLLRUSA-N 2 0 296.374 1.326 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000883131309 725918224 /nfs/dbraw/zinc/91/82/24/725918224.db2.gz VNAZHNFXAKPISC-UHFFFAOYSA-N 2 0 274.412 1.344 20 30 CDEDRP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001029004066 725933264 /nfs/dbraw/zinc/93/32/64/725933264.db2.gz SPBGPLHBCRXUIK-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001028446839 725941506 /nfs/dbraw/zinc/94/15/06/725941506.db2.gz JFTIOEBYPVADFX-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001174959739 913417130 /nfs/dbraw/zinc/41/71/30/913417130.db2.gz BWHRSHKFMOCCLP-OAHLLOKOSA-N 2 0 281.444 1.616 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175265487 913516747 /nfs/dbraw/zinc/51/67/47/913516747.db2.gz YKTZGHITWYDNGA-HOTGVXAUSA-N 2 0 293.455 1.616 20 30 CDEDRP C[NH+]1CCN(c2ccc(Nc3[nH]cc[nH+]3)cc2C#N)CC1 ZINC001176084277 913926903 /nfs/dbraw/zinc/92/69/03/913926903.db2.gz IOKVYCWZCPRBQS-UHFFFAOYSA-N 2 0 282.351 1.777 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176185604 913982976 /nfs/dbraw/zinc/98/29/76/913982976.db2.gz ZPQVXVMBKAUSKB-HNNXBMFYSA-N 2 0 291.439 1.370 20 30 CDEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176279320 914014401 /nfs/dbraw/zinc/01/44/01/914014401.db2.gz LVECAIJQLLGPEH-CQSZACIVSA-N 2 0 269.433 1.779 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001167640018 897137505 /nfs/dbraw/zinc/13/75/05/897137505.db2.gz KKBWEEKCSLXFQT-UHFFFAOYSA-N 2 0 281.444 1.780 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001020336050 899257745 /nfs/dbraw/zinc/25/77/45/899257745.db2.gz RADSWYQSPKDGQK-JOCQHMNTSA-N 2 0 282.347 1.126 20 30 CDEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001112531127 901010919 /nfs/dbraw/zinc/01/09/19/901010919.db2.gz GYJOWOAUURVULY-ZOBUZTSGSA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c[nH]ccc-2n1 ZINC001027969932 901085012 /nfs/dbraw/zinc/08/50/12/901085012.db2.gz COQBXKHMEZQYBV-AWEZNQCLSA-N 2 0 296.374 1.780 20 30 CDEDRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cncc(C#N)c2)CC1 ZINC001206318966 915276422 /nfs/dbraw/zinc/27/64/22/915276422.db2.gz WGTYONHROSJQCY-OAHLLOKOSA-N 2 0 258.369 1.904 20 30 CDEDRP CC#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087797202 905855263 /nfs/dbraw/zinc/85/52/63/905855263.db2.gz CLBGSOVKKSCMLF-HRCADAONSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001271254289 906211079 /nfs/dbraw/zinc/21/10/79/906211079.db2.gz MFDAPISPVYQCEO-LSDHHAIUSA-N 2 0 281.444 1.777 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088105783 906321292 /nfs/dbraw/zinc/32/12/92/906321292.db2.gz CPEXAYUTQONBCO-XHSDSOJGSA-N 2 0 291.439 1.295 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001088277443 906780997 /nfs/dbraw/zinc/78/09/97/906780997.db2.gz AIJJAGYBGAJJNT-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001088336362 906948476 /nfs/dbraw/zinc/94/84/76/906948476.db2.gz BXPPPEJMWKVDRD-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001003507674 921338092 /nfs/dbraw/zinc/33/80/92/921338092.db2.gz LOGOZKRDCJSOPS-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001171501994 910805423 /nfs/dbraw/zinc/80/54/23/910805423.db2.gz ZNAQASKTZVSQRB-ZIAGYGMSSA-N 2 0 269.433 1.777 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)CC[N@@H+](C)CCC ZINC001171731320 910908972 /nfs/dbraw/zinc/90/89/72/910908972.db2.gz CAVKTZVJTWYULS-UHFFFAOYSA-N 2 0 255.406 1.390 20 30 CDEDRP N#Cc1nc(N[C@@H]([NH3+])CCC[NH3+])ccc1Br ZINC001170900390 930699648 /nfs/dbraw/zinc/69/96/48/930699648.db2.gz KTEVHLOGYWFLRT-SECBINFHSA-N 2 0 284.161 1.151 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)CCC[NH+](C)C ZINC001179399712 915824584 /nfs/dbraw/zinc/82/45/84/915824584.db2.gz FTNHBUVBQHBNOI-UHFFFAOYSA-N 2 0 269.433 1.780 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001179585053 915908898 /nfs/dbraw/zinc/90/88/98/915908898.db2.gz BIIRAMBEAFESOR-GJZGRUSLSA-N 2 0 279.428 1.084 20 30 CDEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001181983823 917523969 /nfs/dbraw/zinc/52/39/69/917523969.db2.gz SOEQRLORDXRYQK-CABCVRRESA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001183255775 918412150 /nfs/dbraw/zinc/41/21/50/918412150.db2.gz PNHAZELAWJVXDO-HZPDHXFCSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001183391398 918468241 /nfs/dbraw/zinc/46/82/41/918468241.db2.gz RASWTLXPZYMBML-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001185357702 919544567 /nfs/dbraw/zinc/54/45/67/919544567.db2.gz DSOZMXFVTNMPMR-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001185660129 919698580 /nfs/dbraw/zinc/69/85/80/919698580.db2.gz YOVCHAGAMKDOQF-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001185680648 919725381 /nfs/dbraw/zinc/72/53/81/919725381.db2.gz GDXNQDUMEAAUTD-JKSUJKDBSA-N 2 0 291.439 1.180 20 30 CDEDRP C[N@@H+]1CCC[C@@H](NC(=[NH2+])c2ccc(Cl)cn2)C1 ZINC001255469872 936648077 /nfs/dbraw/zinc/64/80/77/936648077.db2.gz JDQRRAUYCHFVMK-SNVBAGLBSA-N 2 0 252.749 1.535 20 30 CDEDRP C#CCCC[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273541667 920558596 /nfs/dbraw/zinc/55/85/96/920558596.db2.gz HMUFGNOWRPDEAL-MRXNPFEDSA-N 2 0 277.412 1.028 20 30 CDEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001190774883 922188912 /nfs/dbraw/zinc/18/89/12/922188912.db2.gz AEJBVXANUJCVKQ-GJZGRUSLSA-N 2 0 279.428 1.129 20 30 CDEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001190949075 922298650 /nfs/dbraw/zinc/29/86/50/922298650.db2.gz XFTNNSLSWPAQTB-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001192190768 922939002 /nfs/dbraw/zinc/93/90/02/922939002.db2.gz RYNBINPTBQHSGN-HUUCEWRRSA-N 2 0 281.444 1.681 20 30 CDEDRP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001192354494 923030168 /nfs/dbraw/zinc/03/01/68/923030168.db2.gz LZBTYFLZSAHBAK-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCCC[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193279572 923585041 /nfs/dbraw/zinc/58/50/41/923585041.db2.gz PPWCKFFYDLJRGR-HNNXBMFYSA-N 2 0 281.444 1.827 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194226368 924124597 /nfs/dbraw/zinc/12/45/97/924124597.db2.gz AVWXFBOPANWAFS-HNNXBMFYSA-N 2 0 279.428 1.581 20 30 CDEDRP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001079687599 924403602 /nfs/dbraw/zinc/40/36/02/924403602.db2.gz SUXVSBCLELRBOJ-KFWWJZLASA-N 2 0 279.428 1.482 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001080329561 924535747 /nfs/dbraw/zinc/53/57/47/924535747.db2.gz DTWLNPRHNHJQRF-FXUDXRNXSA-N 2 0 293.455 1.729 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001100765837 936933654 /nfs/dbraw/zinc/93/36/54/936933654.db2.gz CTZKMHOTOPKHBN-UYSNPLJNSA-N 2 0 293.455 1.470 20 30 CDEDRP C=CCC[N@H+]1CCCN(C(=O)C[NH+](CC)CC)CC1 ZINC001197511116 925156438 /nfs/dbraw/zinc/15/64/38/925156438.db2.gz IGTRJENOOVBUKH-UHFFFAOYSA-N 2 0 267.417 1.439 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664002 925338289 /nfs/dbraw/zinc/33/82/89/925338289.db2.gz AIUVNGUTJVVKJJ-HUUCEWRRSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102046142 937038640 /nfs/dbraw/zinc/03/86/40/937038640.db2.gz ORVFCJJJTUZUOX-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102046157 937038735 /nfs/dbraw/zinc/03/87/35/937038735.db2.gz PMJKWFAECLFIDY-ZIAGYGMSSA-N 2 0 279.428 1.341 20 30 CDEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102059406 937039232 /nfs/dbraw/zinc/03/92/32/937039232.db2.gz NXQGOASPWALNDB-BZUAXINKSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085597833 926199040 /nfs/dbraw/zinc/19/90/40/926199040.db2.gz GYKIGEWKLDXZBQ-HOTGVXAUSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001201259959 926245883 /nfs/dbraw/zinc/24/58/83/926245883.db2.gz ITRCUMNJUNOPDF-UHFFFAOYSA-N 2 0 296.374 1.780 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001086084770 926677872 /nfs/dbraw/zinc/67/78/72/926677872.db2.gz FXBUIVHSQPMDFH-QLFBSQMISA-N 2 0 279.428 1.530 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001086457300 927148824 /nfs/dbraw/zinc/14/88/24/927148824.db2.gz RIMJJMVDADYSEC-VGWMRTNUSA-N 2 0 293.455 1.777 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169128049 927741866 /nfs/dbraw/zinc/74/18/66/927741866.db2.gz ZJCHOVPFGUGWPW-UHFFFAOYSA-N 2 0 267.417 1.390 20 30 CDEDRP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001111788381 937231529 /nfs/dbraw/zinc/23/15/29/937231529.db2.gz BBPBBSBGJVBHCE-UXLLHSPISA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001112966432 929607828 /nfs/dbraw/zinc/60/78/28/929607828.db2.gz YFKMMVIOPJPIEA-HOCLYGCPSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001112979687 929614776 /nfs/dbraw/zinc/61/47/76/929614776.db2.gz BHHHGEUQACJIOD-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780339 929896235 /nfs/dbraw/zinc/89/62/35/929896235.db2.gz BHOKYQGRQCAKRP-AWEZNQCLSA-N 2 0 281.444 1.779 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135308037 930140040 /nfs/dbraw/zinc/14/00/40/930140040.db2.gz NDTXIGZXKXSOHE-QWHCGFSZSA-N 2 0 289.851 1.954 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001086734672 930212999 /nfs/dbraw/zinc/21/29/99/930212999.db2.gz OTKYCMPPFDWXII-RRFJBIMHSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767838 930400296 /nfs/dbraw/zinc/40/02/96/930400296.db2.gz ISVWWGAVNSETDW-HOTGVXAUSA-N 2 0 293.455 1.615 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135882234 930496276 /nfs/dbraw/zinc/49/62/76/930496276.db2.gz JKAGXTAAAIBCTI-QWHCGFSZSA-N 2 0 289.851 1.954 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135882980 930502052 /nfs/dbraw/zinc/50/20/52/930502052.db2.gz WVKLTKHRTSZMDE-CHWSQXEVSA-N 2 0 255.406 1.387 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135955092 930564754 /nfs/dbraw/zinc/56/47/54/930564754.db2.gz GTJJIVLRGKAJBG-KBPBESRZSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135974275 930584602 /nfs/dbraw/zinc/58/46/02/930584602.db2.gz MABWDWPEOADSOC-KBPBESRZSA-N 2 0 269.433 1.777 20 30 CDEDRP N#Cc1cc(Cl)c(Cl)nc1N[C@H]([NH3+])CCC[NH3+] ZINC001159782996 930840890 /nfs/dbraw/zinc/84/08/90/930840890.db2.gz AGJPWDMKZNVGOP-QMMMGPOBSA-N 2 0 274.155 1.696 20 30 CDEDRP N#Cc1ccc2ccnc(N[C@@H]([NH3+])CCC[NH3+])c2c1 ZINC001159784911 930848639 /nfs/dbraw/zinc/84/86/39/930848639.db2.gz MDHLCYCXJZCTEG-CYBMUJFWSA-N 2 0 255.325 1.542 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000890078327 931405436 /nfs/dbraw/zinc/40/54/36/931405436.db2.gz AOTYFRGTTKVMEG-UHFFFAOYSA-N 2 0 291.439 1.180 20 30 CDEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)c1ccccc1F ZINC000717762900 931506679 /nfs/dbraw/zinc/50/66/79/931506679.db2.gz WIFHMVUMSLLXII-AWEZNQCLSA-N 2 0 250.317 1.014 20 30 CDEDRP C[C@H](Cc1cccc(C#N)c1)NC(=[NH2+])SCC[NH3+] ZINC001171182684 931822905 /nfs/dbraw/zinc/82/29/05/931822905.db2.gz XUGHBQUJMLZFBW-SNVBAGLBSA-N 2 0 262.382 1.706 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171225936 932036085 /nfs/dbraw/zinc/03/60/85/932036085.db2.gz BQTRAPZHNFHNJD-GJZGRUSLSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111407273 934757765 /nfs/dbraw/zinc/75/77/65/934757765.db2.gz PSIWMACMUGWEPA-FPCVCCKLSA-N 2 0 291.439 1.626 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC ZINC001114829492 935002357 /nfs/dbraw/zinc/00/23/57/935002357.db2.gz XRTPKLSCTQJGHX-XUWVNRHRSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001096540660 936150648 /nfs/dbraw/zinc/15/06/48/936150648.db2.gz YYELOHKCYVZLAF-KBXIAJHMSA-N 2 0 277.412 1.236 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001097064192 936263073 /nfs/dbraw/zinc/26/30/73/936263073.db2.gz CJVYAZWCNWLYFR-WCVJEAGWSA-N 2 0 291.439 1.767 20 30 CDEDRP N#Cc1cc(NC(=[NH2+])NCCCC[NH3+])nc2ccccc12 ZINC001157099510 938454480 /nfs/dbraw/zinc/45/44/80/938454480.db2.gz PSIGOPNFRXYFOY-UHFFFAOYSA-N 2 0 282.351 1.782 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157108763 938455011 /nfs/dbraw/zinc/45/50/11/938455011.db2.gz DHIAGIXPVQHZBV-CABCVRRESA-N 2 0 279.428 1.321 20 30 CDEDRP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001158473940 938628633 /nfs/dbraw/zinc/62/86/33/938628633.db2.gz QUFLMINQVPCJEW-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001158704554 938652702 /nfs/dbraw/zinc/65/27/02/938652702.db2.gz PPFWTFJPYLWPGM-MRXNPFEDSA-N 2 0 293.455 1.664 20 30 CDEDRP N#Cc1cc(N[C@H]([NH3+])CCC[NH3+])nc2ccccc12 ZINC001159787357 938753487 /nfs/dbraw/zinc/75/34/87/938753487.db2.gz UWMDYUQNBWOLKD-ZDUSSCGKSA-N 2 0 255.325 1.542 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001159900914 938759732 /nfs/dbraw/zinc/75/97/32/938759732.db2.gz DCFVQAMFPMVTPD-CQSZACIVSA-N 2 0 267.417 1.531 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160272809 938778405 /nfs/dbraw/zinc/77/84/05/938778405.db2.gz DTLLVJWQGFQXTN-HNNXBMFYSA-N 2 0 281.444 1.923 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160862868 938834076 /nfs/dbraw/zinc/83/40/76/938834076.db2.gz YSASDPOHSOMBAG-ZIAGYGMSSA-N 2 0 265.401 1.285 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161032617 938857539 /nfs/dbraw/zinc/85/75/39/938857539.db2.gz IJSQGXSLGZPRRS-LBPRGKRZSA-N 2 0 273.808 1.319 20 30 CDEDRP C#CCNc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001163367829 939257933 /nfs/dbraw/zinc/25/79/33/939257933.db2.gz FWGMHQASAWIADB-UHFFFAOYSA-N 2 0 257.381 1.902 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001164576752 939495087 /nfs/dbraw/zinc/49/50/87/939495087.db2.gz YQFTXDLVLXTFMQ-HUUCEWRRSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166687731 939626864 /nfs/dbraw/zinc/62/68/64/939626864.db2.gz YEWHPZKJLRVMJH-MRXNPFEDSA-N 2 0 299.434 1.871 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203623531 939697287 /nfs/dbraw/zinc/69/72/87/939697287.db2.gz KKIWHSSCQFRCEV-HUUCEWRRSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001205492645 939893770 /nfs/dbraw/zinc/89/37/70/939893770.db2.gz GASUUPJQZVBTNY-INIZCTEOSA-N 2 0 295.471 1.977 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001206275618 940009788 /nfs/dbraw/zinc/00/97/88/940009788.db2.gz XBILOKSMEJGGOK-OAHLLOKOSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001206794360 940093112 /nfs/dbraw/zinc/09/31/12/940093112.db2.gz MIEULEHPCJGZQQ-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209305247 940458097 /nfs/dbraw/zinc/45/80/97/940458097.db2.gz WSJXXVYJKFVMLM-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210812278 940715110 /nfs/dbraw/zinc/71/51/10/940715110.db2.gz WAZKKMOPNUZILY-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000402139614 940889149 /nfs/dbraw/zinc/88/91/49/940889149.db2.gz IILGKTZEPKWGHM-GLQYFDAESA-N 2 0 259.353 1.261 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215569160 940893765 /nfs/dbraw/zinc/89/37/65/940893765.db2.gz WGCLUDCJDAFUOV-HUUCEWRRSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216751851 940964331 /nfs/dbraw/zinc/96/43/31/940964331.db2.gz AQPIYRWCTSFBGU-QLFBSQMISA-N 2 0 279.428 1.341 20 30 CDEDRP C[C@@H](C#N)c1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cc1 ZINC001218871289 941282228 /nfs/dbraw/zinc/28/22/28/941282228.db2.gz KJULHNVFSPTGHK-DXCKQFNASA-N 2 0 298.390 1.451 20 30 CDEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@@H](C#N)c1ccccc1 ZINC001219558879 941355244 /nfs/dbraw/zinc/35/52/44/941355244.db2.gz YUJMNWHZSCFRBA-GJZGRUSLSA-N 2 0 288.395 1.427 20 30 CDEDRP C#C[C@](C)([NH3+])C(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001220511419 941451070 /nfs/dbraw/zinc/45/10/70/941451070.db2.gz WSBVKCACOGOCOJ-HNNXBMFYSA-N 2 0 265.401 1.105 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC001221911280 941554858 /nfs/dbraw/zinc/55/48/58/941554858.db2.gz JEFGPTFDWKENRK-AWEZNQCLSA-N 2 0 296.459 1.217 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001226799514 942073210 /nfs/dbraw/zinc/07/32/10/942073210.db2.gz BEJUQGCOVKQJDK-OAGGEKHMSA-N 2 0 291.439 1.367 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001226800613 942073824 /nfs/dbraw/zinc/07/38/24/942073824.db2.gz MVRCVMZZRRUFGQ-OAGGEKHMSA-N 2 0 293.455 1.920 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001227619095 942198476 /nfs/dbraw/zinc/19/84/76/942198476.db2.gz NFYFYVXYNNXHIO-OAHLLOKOSA-N 2 0 299.434 1.823 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228904914 942390675 /nfs/dbraw/zinc/39/06/75/942390675.db2.gz YZHDNAPTPWNKKN-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001230141451 942587616 /nfs/dbraw/zinc/58/76/16/942587616.db2.gz LLGGLANAWZPZPL-HUUCEWRRSA-N 2 0 277.412 1.123 20 30 CDEDRP C=CC[NH2+]CCN1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001235069156 944040495 /nfs/dbraw/zinc/04/04/95/944040495.db2.gz KGXDJEQMLUGUKE-LBPRGKRZSA-N 2 0 291.361 1.911 20 30 CDEDRP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235320976 944119261 /nfs/dbraw/zinc/11/92/61/944119261.db2.gz RDBHIKDPVMWSNL-HNNXBMFYSA-N 2 0 293.455 1.970 20 30 CDEDRP C[C@@H]1CC(=O)C=C(c2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC001242741379 946865323 /nfs/dbraw/zinc/86/53/23/946865323.db2.gz PLTTZXBKCWXKME-LBPRGKRZSA-N 2 0 271.364 1.874 20 30 CDEDRP C[N@@H+]1CCC[C@@H](NC(=[NH2+])c2ccc(C#N)cc2)CC1 ZINC001254500848 947458383 /nfs/dbraw/zinc/45/83/83/947458383.db2.gz MGXHQMIIBZBCGO-CQSZACIVSA-N 2 0 256.353 1.748 20 30 CDEDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2[C@@H]1CC[C@@H](C#N)C1 ZINC001254666807 947580693 /nfs/dbraw/zinc/58/06/93/947580693.db2.gz YKCKDOJFQNATTK-LVQVYYBASA-N 2 0 276.428 1.389 20 30 CDEDRP CC[C@@H](CC#N)[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001255169499 947761702 /nfs/dbraw/zinc/76/17/02/947761702.db2.gz FYXLSJGCEQDRTH-SOUVJXGZSA-N 2 0 264.417 1.389 20 30 CDEDRP CC[NH+](CC)CC[C@H](C)NC1(C#N)CC[NH+](C)CC1 ZINC001255953399 948138556 /nfs/dbraw/zinc/13/85/56/948138556.db2.gz QWJVNQZHVMYVGI-AWEZNQCLSA-N 2 0 266.433 1.684 20 30 CDEDRP CC1(C#N)CCC([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246475956 948194872 /nfs/dbraw/zinc/19/48/72/948194872.db2.gz HXDOXUSHTPQJOW-AHPWVWPOSA-N 2 0 253.365 1.996 20 30 CDEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)C1 ZINC001246518618 948221807 /nfs/dbraw/zinc/22/18/07/948221807.db2.gz ILEZJJWJUVOHMY-ILXRZTDVSA-N 2 0 292.427 1.388 20 30 CDEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246766743 948430241 /nfs/dbraw/zinc/43/02/41/948430241.db2.gz LBRAIURGEJHGAO-VVLHAWIVSA-N 2 0 294.439 1.953 20 30 CDEDRP CCCC[N@H+](CCC#N)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246771197 948432016 /nfs/dbraw/zinc/43/20/16/948432016.db2.gz WKAUPDQDQBQGNR-CYBMUJFWSA-N 2 0 250.390 1.096 20 30 CDEDRP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001479969022 971517474 /nfs/dbraw/zinc/51/74/74/971517474.db2.gz RGEZTOFDPKKRKI-GJZGRUSLSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C[C@](C)(O)C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001252578952 951470950 /nfs/dbraw/zinc/47/09/50/951470950.db2.gz IJLQDDLVXDXHQY-INIZCTEOSA-N 2 0 282.428 1.404 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)C)CC1 ZINC001318361626 958054079 /nfs/dbraw/zinc/05/40/79/958054079.db2.gz AIHCGNGMRJYXPW-UHFFFAOYSA-N 2 0 267.417 1.531 20 30 CDEDRP N#Cc1ccc(NCC[NH2+]C2CCC(C[NH3+])CC2)nc1 ZINC001335266952 959672093 /nfs/dbraw/zinc/67/20/93/959672093.db2.gz IVFGDCWGDGFGEL-UHFFFAOYSA-N 2 0 273.384 1.472 20 30 CDEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001336785341 960587310 /nfs/dbraw/zinc/58/73/10/960587310.db2.gz YRYAXRDKYVGHNY-CQSZACIVSA-N 2 0 284.762 1.667 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC001341662756 963502824 /nfs/dbraw/zinc/50/28/24/963502824.db2.gz NCFDYOKZDVSENE-JSGCOSHPSA-N 2 0 285.457 1.224 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC001343391391 963965811 /nfs/dbraw/zinc/96/58/11/963965811.db2.gz IRYQDRQQPKVPSO-OLZOCXBDSA-N 2 0 253.390 1.128 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001100186121 967587743 /nfs/dbraw/zinc/58/77/43/967587743.db2.gz ZZOADCJODBDDLV-NRXISQOPSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC001353495982 968020073 /nfs/dbraw/zinc/02/00/73/968020073.db2.gz QOLBWSOXQLSUFD-KBPBESRZSA-N 2 0 267.417 1.470 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001100377983 968166188 /nfs/dbraw/zinc/16/61/88/968166188.db2.gz QHTJUSXQWOCJQM-NRXISQOPSA-N 2 0 299.434 1.727 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001200839777 968999849 /nfs/dbraw/zinc/99/98/49/968999849.db2.gz HEHNPBJPXZTWFT-HNNXBMFYSA-N 2 0 297.418 1.270 20 30 CDEDRP C=CCNC(=[NH2+])NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000849006623 969399103 /nfs/dbraw/zinc/39/91/03/969399103.db2.gz UVACSKXPJUVOKF-UHFFFAOYSA-N 2 0 294.443 1.710 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001522325281 970421109 /nfs/dbraw/zinc/42/11/09/970421109.db2.gz CARCAQKSFBBYFD-TZMCWYRMSA-N 2 0 286.379 1.487 20 30 CDEDRP C#CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132433890 1163288199 /nfs/dbraw/zinc/28/81/99/1163288199.db2.gz RNLAOBDIJLCXBE-CABCVRRESA-N 2 0 279.428 1.321 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001133063516 1163554924 /nfs/dbraw/zinc/55/49/24/1163554924.db2.gz BULCBDBOCBZQAN-CABCVRRESA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133281993 1163621055 /nfs/dbraw/zinc/62/10/55/1163621055.db2.gz WKWGEJIPQUJMNI-UHFFFAOYSA-N 2 0 253.390 1.000 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133419746 1163686756 /nfs/dbraw/zinc/68/67/56/1163686756.db2.gz WWCFWVGNGANVSB-CYBMUJFWSA-N 2 0 255.406 1.245 20 30 CDEDRP CC#CC[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001574972227 1171070400 /nfs/dbraw/zinc/07/04/00/1171070400.db2.gz KYXCDXZUIQRHIJ-KKUMJFAQSA-N 2 0 293.455 1.600 20 30 CDEDRP CC#CC[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC001574973670 1171073225 /nfs/dbraw/zinc/07/32/25/1171073225.db2.gz XUIAQGCUJYSHGM-CABCVRRESA-N 2 0 293.455 1.744 20 30 CDEDRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000596651449 343371429 /nfs/dbraw/zinc/37/14/29/343371429.db2.gz QFACYPZKYDDUQH-VBNZEHGJSA-N 2 0 273.380 1.443 20 30 CDEDRP CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000598720053 343883256 /nfs/dbraw/zinc/88/32/56/343883256.db2.gz LSYYCJBYLUUCDA-ZIAGYGMSSA-N 2 0 265.401 1.361 20 30 CDEDRP C[C@H](CCC#N)CN(CC[NH+](C)C)CC[NH+](C)C ZINC000602655392 344517767 /nfs/dbraw/zinc/51/77/67/344517767.db2.gz GJMOTYKNDNSFRG-CQSZACIVSA-N 2 0 254.422 1.351 20 30 CDEDRP COCC[N@H+](CCC#N)C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001579025655 1172082777 /nfs/dbraw/zinc/08/27/77/1172082777.db2.gz GSGIUYIPAUFKRI-HDJSIYSDSA-N 2 0 253.390 1.614 20 30 CDEDRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611393613 346777004 /nfs/dbraw/zinc/77/70/04/346777004.db2.gz XZRFVENGKYJNPN-QGZVFWFLSA-N 2 0 299.418 1.982 20 30 CDEDRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611393590 346777093 /nfs/dbraw/zinc/77/70/93/346777093.db2.gz XZRFVENGKYJNPN-KRWDZBQOSA-N 2 0 299.418 1.982 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000068102897 349050287 /nfs/dbraw/zinc/05/02/87/349050287.db2.gz ICHPKPRLFNDHKD-OAHLLOKOSA-N 2 0 291.439 1.180 20 30 CDEDRP C[N@@H+]1CCN(CC[NH2+]Cc2cccc(C#N)n2)CC1(C)C ZINC000602654008 350138704 /nfs/dbraw/zinc/13/87/04/350138704.db2.gz FRCFQTPJCOZDFB-UHFFFAOYSA-N 2 0 287.411 1.069 20 30 CDEDRP C[C@@H](C(=O)Nc1cccc(C#N)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910151 350326416 /nfs/dbraw/zinc/32/64/16/350326416.db2.gz KVQCVEODEHSZTC-FPMFFAJLSA-N 2 0 284.363 1.036 20 30 CDEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc(OC)cc2)C1 ZINC000264065514 362955700 /nfs/dbraw/zinc/95/57/00/362955700.db2.gz AXXDOBJOYLBOQP-GFCCVEGCSA-N 2 0 276.384 1.764 20 30 CDEDRP CNC(NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)=[NH+]C ZINC000069672571 357688967 /nfs/dbraw/zinc/68/89/67/357688967.db2.gz GCDPILSQDYDZBW-LBPRGKRZSA-N 2 0 262.401 1.911 20 30 CDEDRP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)CN1CC[NH+](C)CC1 ZINC000249043079 360115089 /nfs/dbraw/zinc/11/50/89/360115089.db2.gz VGSVROKNDCQKRF-BZUAXINKSA-N 2 0 278.444 1.542 20 30 CDEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170910536 365160410 /nfs/dbraw/zinc/16/04/10/365160410.db2.gz VBTJQLUOPZEKRM-GFCCVEGCSA-N 2 0 261.373 1.540 20 30 CDEDRP [NH2+]=C(NCC[NH+]1CCCCCC1)Nc1ccccn1 ZINC000170913371 365162036 /nfs/dbraw/zinc/16/20/36/365162036.db2.gz VHMXHWYAPMXUIO-UHFFFAOYSA-N 2 0 261.373 1.684 20 30 CDEDRP CC[N@H+](C)C[C@H]1CCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000268720193 365387167 /nfs/dbraw/zinc/38/71/67/365387167.db2.gz VPGUHRGBVDYMJT-WBVHZDCISA-N 2 0 287.407 1.865 20 30 CDEDRP C[C@H](CCNC1=[NH+]CCN1C)[N@H+](C)Cc1ccccc1 ZINC000284926589 377724029 /nfs/dbraw/zinc/72/40/29/377724029.db2.gz CGXAOOKTQIXGRU-CQSZACIVSA-N 2 0 274.412 1.788 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417534271 377875595 /nfs/dbraw/zinc/87/55/95/377875595.db2.gz VVZWDBTZFKKDMN-KGLIPLIRSA-N 2 0 294.443 1.454 20 30 CDEDRP C=CCC[C@@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339658309 391320850 /nfs/dbraw/zinc/32/08/50/391320850.db2.gz RMZRROPSWGKYSC-FCLJQHQZSA-N 2 0 296.455 1.887 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](C)C[NH3+])C(C)C ZINC000285806911 391721290 /nfs/dbraw/zinc/72/12/90/391721290.db2.gz QYFFMOSQXPQFKJ-UONOGXRCSA-N 2 0 267.417 1.396 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)CCC(C)(C)[NH3+])CC1 ZINC000649323722 392027034 /nfs/dbraw/zinc/02/70/34/392027034.db2.gz UASCNBVELWLEQK-UHFFFAOYSA-N 2 0 253.390 1.271 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC000423328915 392962436 /nfs/dbraw/zinc/96/24/36/392962436.db2.gz SRVJKCZSZSVAPH-GOSISDBHSA-N 2 0 298.434 1.850 20 30 CDEDRP C=CCN1CC[C@H]([NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)C1=O ZINC000662291143 414618051 /nfs/dbraw/zinc/61/80/51/414618051.db2.gz BVCLQKDHNYSYPT-CVEARBPZSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000364740252 262260883 /nfs/dbraw/zinc/26/08/83/262260883.db2.gz PYUQEWIGWXOFEB-CVEARBPZSA-N 2 0 289.423 1.075 20 30 CDEDRP Cc1nccn1-c1ncccc1CNC(=[NH2+])N(C)C1CC1 ZINC000273324472 263015487 /nfs/dbraw/zinc/01/54/87/263015487.db2.gz HDFAQPBFTQPXBW-UHFFFAOYSA-N 2 0 284.367 1.485 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)CCC[NH3+])CC1 ZINC000417539804 328496897 /nfs/dbraw/zinc/49/68/97/328496897.db2.gz OYTDEXXENVZPLC-ZDUSSCGKSA-N 2 0 282.432 1.454 20 30 CDEDRP C#C[C@H](NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)C(C)(C)C ZINC000262334095 330006561 /nfs/dbraw/zinc/00/65/61/330006561.db2.gz WIFOWCKEROHBDW-OLZOCXBDSA-N 2 0 264.417 1.423 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC(F)(F)C1 ZINC000262379999 330011729 /nfs/dbraw/zinc/01/17/29/330011729.db2.gz GVPAXLXFLOHIHR-NEPJUHHUSA-N 2 0 288.386 1.810 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@H](OC)C12CCC2 ZINC000263176768 330047425 /nfs/dbraw/zinc/04/74/25/330047425.db2.gz SUVLUXQHTPOZDZ-MGPQQGTHSA-N 2 0 294.443 1.333 20 30 CDEDRP C=C(C)CN1CCC([NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422979618 330162567 /nfs/dbraw/zinc/16/25/67/330162567.db2.gz NFTJTQNCMRPWHQ-HIFRSBDPSA-N 2 0 251.418 1.744 20 30 CDEDRP C=C[C@H](CO)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423121362 330171023 /nfs/dbraw/zinc/17/10/23/330171023.db2.gz ILZSTJGUKFKGJS-XNRPHZJLSA-N 2 0 274.364 1.379 20 30 CDEDRP C=CCC[C@H](CO)[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423151786 330172861 /nfs/dbraw/zinc/17/28/61/330172861.db2.gz DYLCTBUXVVYNQS-UONOGXRCSA-N 2 0 298.427 1.225 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC000491777369 332342537 /nfs/dbraw/zinc/34/25/37/332342537.db2.gz XCKUAGXZCFHRCU-CQSZACIVSA-N 2 0 267.417 1.178 20 30 CDEDRP CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cn1ccnc1 ZINC001752157406 1159456479 /nfs/dbraw/zinc/45/64/79/1159456479.db2.gz PTGCZBFBWOONCL-LSDHHAIUSA-N 2 0 288.395 1.266 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001168137017 1160434159 /nfs/dbraw/zinc/43/41/59/1160434159.db2.gz KZNKUJKHAFHQCL-ZDUSSCGKSA-N 2 0 265.401 1.000 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417545878 482595202 /nfs/dbraw/zinc/59/52/02/482595202.db2.gz YLJQVIGDXYYNME-DZGCQCFKSA-N 2 0 294.443 1.596 20 30 CDEDRP C[C@H]1CN(C2CC2)CC1=NNCC[NH+]1CCCCC1 ZINC000755891159 575616935 /nfs/dbraw/zinc/61/69/35/575616935.db2.gz XHYDQCDCJRBULD-ZDUSSCGKSA-N 2 0 264.417 1.532 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000764429305 575906457 /nfs/dbraw/zinc/90/64/57/575906457.db2.gz ZENIWNZWXDZZQH-CYBMUJFWSA-N 2 0 281.444 1.731 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000968915072 612963839 /nfs/dbraw/zinc/96/38/39/612963839.db2.gz BPQZGKCKPNJPED-GDBMZVCRSA-N 2 0 289.423 1.217 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000971681729 613081223 /nfs/dbraw/zinc/08/12/23/613081223.db2.gz GFZZLCWJBPAWCM-HZPDHXFCSA-N 2 0 291.439 1.415 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000957649506 613260593 /nfs/dbraw/zinc/26/05/93/613260593.db2.gz MJTLWUJZTXDEAM-AWEZNQCLSA-N 2 0 265.401 1.049 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980391312 613289905 /nfs/dbraw/zinc/28/99/05/613289905.db2.gz PKWCKFVSTTUEIW-KGLIPLIRSA-N 2 0 265.401 1.047 20 30 CDEDRP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000969144660 613306423 /nfs/dbraw/zinc/30/64/23/613306423.db2.gz QPBUODVVEWQEIM-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981462612 613347350 /nfs/dbraw/zinc/34/73/50/613347350.db2.gz YCCILMJPGVIQHV-HUUCEWRRSA-N 2 0 291.439 1.675 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000968924346 613384618 /nfs/dbraw/zinc/38/46/18/613384618.db2.gz CIDNBKDOJFROAL-GFCCVEGCSA-N 2 0 285.819 1.414 20 30 CDEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000969791534 613485811 /nfs/dbraw/zinc/48/58/11/613485811.db2.gz FPXQNJSJIZBDMA-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948738373 613506068 /nfs/dbraw/zinc/50/60/68/613506068.db2.gz DCBKMLWULUDFEX-MRXNPFEDSA-N 2 0 293.455 1.685 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968332395 613728278 /nfs/dbraw/zinc/72/82/78/613728278.db2.gz WCRBECAOTPJCEN-CABCVRRESA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942257172 613741168 /nfs/dbraw/zinc/74/11/68/613741168.db2.gz KLCPOSKXCVIPMM-LSDHHAIUSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000968966811 613863450 /nfs/dbraw/zinc/86/34/50/613863450.db2.gz DCDAQJLUISLFJA-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCS(=O)(=O)CC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925634273 617580103 /nfs/dbraw/zinc/58/01/03/617580103.db2.gz JBYFDTKANCJXTH-OAHLLOKOSA-N 2 0 296.436 1.657 20 30 CDEDRP C[NH+]1CCC(N2CC[C@H]([NH2+]CC#Cc3ccccc3)C2)CC1 ZINC000892948690 617957737 /nfs/dbraw/zinc/95/77/37/617957737.db2.gz XPRCVSDEJPURSH-SFHVURJKSA-N 2 0 297.446 1.796 20 30 CDEDRP CC#CC[C@H](CO)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000895096737 619286394 /nfs/dbraw/zinc/28/63/94/619286394.db2.gz QBVCHXYDTZWVFO-OAHLLOKOSA-N 2 0 250.386 1.225 20 30 CDEDRP N#CC1(c2ccccc2)CCC([NH2+]C[C@@H](O)C[NH3+])CC1 ZINC001170359979 1162340487 /nfs/dbraw/zinc/34/04/87/1162340487.db2.gz KSLSGOMDUKJYQX-PCKAHOCUSA-N 2 0 273.380 1.300 20 30 CDEDRP C#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000809616240 1163048828 /nfs/dbraw/zinc/04/88/28/1163048828.db2.gz LPLHYJLRYQVSEK-QGZVFWFLSA-N 2 0 299.418 1.345 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001085244948 1161937862 /nfs/dbraw/zinc/93/78/62/1161937862.db2.gz FQOGISMOYZGAOL-RBSFLKMASA-N 2 0 277.412 1.121 20 30 CDEDRP C#CCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132411118 1163278902 /nfs/dbraw/zinc/27/89/02/1163278902.db2.gz UDHJELIIFFBMRZ-HUUCEWRRSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001661045499 1172329607 /nfs/dbraw/zinc/32/96/07/1172329607.db2.gz KYZZIVOQYXTAKD-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH2+][C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001752902373 1184957304 /nfs/dbraw/zinc/95/73/04/1184957304.db2.gz ZVSPZELXKJENFG-ZDUSSCGKSA-N 2 0 269.433 1.635 20 30 CDEDRP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001752970714 1184979602 /nfs/dbraw/zinc/97/96/02/1184979602.db2.gz DUWCMDOLMGAFFY-ZIAGYGMSSA-N 2 0 277.412 1.121 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001753040404 1185006933 /nfs/dbraw/zinc/00/69/33/1185006933.db2.gz XBDCTCIVEHBHCB-INIZCTEOSA-N 2 0 291.439 1.466 20 30 CDEDRP C#CC[N@H+](CC)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001753084690 1185049348 /nfs/dbraw/zinc/04/93/48/1185049348.db2.gz ZHGDFBWFMLIGBQ-UHFFFAOYSA-N 2 0 284.363 1.328 20 30 CDEDRP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001753815441 1185343043 /nfs/dbraw/zinc/34/30/43/1185343043.db2.gz NFCUVVABYLCEHX-LSDHHAIUSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001754000120 1185423238 /nfs/dbraw/zinc/42/32/38/1185423238.db2.gz UHWWYGBGNNSRMV-LSDHHAIUSA-N 2 0 281.444 1.779 20 30 CDEDRP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001754000118 1185423592 /nfs/dbraw/zinc/42/35/92/1185423592.db2.gz UHWWYGBGNNSRMV-GJZGRUSLSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCCC[NH2+]C[C@@H](C)NC(=O)Cn1ccnc1C ZINC001754253458 1185531102 /nfs/dbraw/zinc/53/11/02/1185531102.db2.gz MVMUMCWRWPAICG-GFCCVEGCSA-N 2 0 264.373 1.252 20 30 CDEDRP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001754502533 1185646405 /nfs/dbraw/zinc/64/64/05/1185646405.db2.gz KQXLLOGTVCKSLK-AWEZNQCLSA-N 2 0 265.401 1.239 20 30 CDEDRP C#CCC[NH+]1CCC(C)(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001754722415 1185714782 /nfs/dbraw/zinc/71/47/82/1185714782.db2.gz VYZBHFFPEPWOPS-UHFFFAOYSA-N 2 0 293.455 1.568 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001755481583 1185965108 /nfs/dbraw/zinc/96/51/08/1185965108.db2.gz OYSVCNMQHYMKIX-HDJSIYSDSA-N 2 0 277.412 1.143 20 30 CDEDRP C=C(C)CC[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001755892213 1186103671 /nfs/dbraw/zinc/10/36/71/1186103671.db2.gz BGPPJUVCSPHTJN-UHFFFAOYSA-N 2 0 279.428 1.653 20 30 CDEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H](C#N)CCC#N ZINC001772050870 1187027700 /nfs/dbraw/zinc/02/77/00/1187027700.db2.gz MLCIMQAXDOAVMM-GJZGRUSLSA-N 2 0 277.416 1.046 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175262438 1164303879 /nfs/dbraw/zinc/30/38/79/1164303879.db2.gz GZWQHDYRNLXXBZ-GJZGRUSLSA-N 2 0 279.428 1.226 20 30 CDEDRP C#CCN1CCC[C@@H](NC(=O)N[C@H](C)C[NH+](CC)CC)C1 ZINC000884200560 726015332 /nfs/dbraw/zinc/01/53/32/726015332.db2.gz FPHRPNSCNPZIOK-HUUCEWRRSA-N 2 0 294.443 1.114 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001000690577 726009688 /nfs/dbraw/zinc/00/96/88/726009688.db2.gz WJKKRLYNLUVNDQ-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001020591960 726010865 /nfs/dbraw/zinc/01/08/65/726010865.db2.gz XTRJHGGLQSMNDZ-JOCQHMNTSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032128529 726026615 /nfs/dbraw/zinc/02/66/15/726026615.db2.gz GLSOQKAULVZDHI-CVEARBPZSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014454180 726035392 /nfs/dbraw/zinc/03/53/92/726035392.db2.gz HEEPZKHMHPWPTE-GJZGRUSLSA-N 2 0 277.412 1.095 20 30 CDEDRP C[C@@H](C#N)OCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134917 726089317 /nfs/dbraw/zinc/08/93/17/726089317.db2.gz SLDXMMZYZJSLDF-KBPBESRZSA-N 2 0 274.368 1.521 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000303781923 726113699 /nfs/dbraw/zinc/11/36/99/726113699.db2.gz MRIDYIIKORYSQA-CYBMUJFWSA-N 2 0 252.406 1.587 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001027409791 726122301 /nfs/dbraw/zinc/12/23/01/726122301.db2.gz NUHHOQRSQYAPDP-JKSUJKDBSA-N 2 0 291.439 1.415 20 30 CDEDRP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001072832708 726146493 /nfs/dbraw/zinc/14/64/93/726146493.db2.gz SCAIGQPNWDPZPP-HNNXBMFYSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034736997 726158339 /nfs/dbraw/zinc/15/83/39/726158339.db2.gz GIBYOHWDLPVISV-TUVASFSCSA-N 2 0 279.428 1.387 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000997188073 726179093 /nfs/dbraw/zinc/17/90/93/726179093.db2.gz YIBWVVUCAJZZFF-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000987257383 726201031 /nfs/dbraw/zinc/20/10/31/726201031.db2.gz WJOCXYNIXMNBAM-HOTGVXAUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000999128552 726227421 /nfs/dbraw/zinc/22/74/21/726227421.db2.gz YGHSUNWNYNGZCC-UHFFFAOYSA-N 2 0 284.363 1.713 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001003632424 726259063 /nfs/dbraw/zinc/25/90/63/726259063.db2.gz ZVDKBXHMSAGHHY-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001074695328 726264790 /nfs/dbraw/zinc/26/47/90/726264790.db2.gz WZMYCNUIAGTVOC-KKUMJFAQSA-N 2 0 277.412 1.073 20 30 CDEDRP [NH2+]=C(NCCC[NH+]1CCCCCC1)NC[C@H]1CCCO1 ZINC000303257060 726267017 /nfs/dbraw/zinc/26/70/17/726267017.db2.gz ITVGHABISXXWKI-CQSZACIVSA-N 2 0 282.432 1.336 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000985802010 726299998 /nfs/dbraw/zinc/29/99/98/726299998.db2.gz NHYCAIJGFATKLO-UHFFFAOYSA-N 2 0 293.455 1.971 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001054664300 726355004 /nfs/dbraw/zinc/35/50/04/726355004.db2.gz XRJOGXZSUANRTJ-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC(C)C)C2)CC1 ZINC001021090419 726369389 /nfs/dbraw/zinc/36/93/89/726369389.db2.gz VFJIVCRYLMZEIY-WKILWMFISA-N 2 0 291.439 1.224 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050753300 726386954 /nfs/dbraw/zinc/38/69/54/726386954.db2.gz HONNKVZGQDUGEM-OAHLLOKOSA-N 2 0 291.439 1.439 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001023446582 726413470 /nfs/dbraw/zinc/41/34/70/726413470.db2.gz SNEPFOYYQBAVRC-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000993928243 726820876 /nfs/dbraw/zinc/82/08/76/726820876.db2.gz MKTULLXVTDKTJF-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP CC[NH+](CC)[C@H](CNC(=[NH2+])N[C@H](C)COC)CC(C)C ZINC000303773744 726838712 /nfs/dbraw/zinc/83/87/12/726838712.db2.gz FKFGFGBTRCUZMT-KGLIPLIRSA-N 2 0 286.464 1.682 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(F)(F)F ZINC000304736991 726868864 /nfs/dbraw/zinc/86/88/64/726868864.db2.gz AJHDEZKUMAZENE-SECBINFHSA-N 2 0 266.311 1.327 20 30 CDEDRP C=CCC[C@@H](O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000923384248 726878785 /nfs/dbraw/zinc/87/87/85/726878785.db2.gz VJKFLSWRMDAKBV-UONOGXRCSA-N 2 0 252.402 1.778 20 30 CDEDRP CN1CCC[NH+]=C1NCCCCCCC[NH+](C)C ZINC000848998232 726895327 /nfs/dbraw/zinc/89/53/27/726895327.db2.gz IEAVCRGNHYNLJW-UHFFFAOYSA-N 2 0 254.422 1.780 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000856479379 726925173 /nfs/dbraw/zinc/92/51/73/726925173.db2.gz KXIJGPKAOMXQMU-HNNXBMFYSA-N 2 0 279.428 1.342 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001020589111 726926856 /nfs/dbraw/zinc/92/68/56/726926856.db2.gz XFCUIVRNUJQSFF-IHRRRGAJSA-N 2 0 265.401 1.141 20 30 CDEDRP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992471488 726943822 /nfs/dbraw/zinc/94/38/22/726943822.db2.gz BZOZVSJTLGQIPN-YQQAZPJKSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@H]12 ZINC000992187769 726944452 /nfs/dbraw/zinc/94/44/52/726944452.db2.gz JWOZUWGAKPDJSI-HLLBOEOZSA-N 2 0 291.439 1.770 20 30 CDEDRP CCNC(NCC[C@H](C)[NH+]1CCCCC1)=[NH+]CC ZINC000305797207 726954900 /nfs/dbraw/zinc/95/49/00/726954900.db2.gz BBWPUFPVKBPOJP-ZDUSSCGKSA-N 2 0 254.422 1.826 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001039471153 726961775 /nfs/dbraw/zinc/96/17/75/726961775.db2.gz KDGUMDZCDLGHFE-XHSDSOJGSA-N 2 0 289.423 1.027 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001019383092 726993992 /nfs/dbraw/zinc/99/39/92/726993992.db2.gz VUHXJDVRPWWCQO-AAEUAGOBSA-N 2 0 285.819 1.271 20 30 CDEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992149928 727005813 /nfs/dbraw/zinc/00/58/13/727005813.db2.gz GNDQNEQZQXRDFG-DOTOQJQBSA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034738657 727063578 /nfs/dbraw/zinc/06/35/78/727063578.db2.gz VINYUQQAKDWVCS-KLHDSHLOSA-N 2 0 293.455 1.777 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N1CCCCCC1 ZINC000305041103 727066110 /nfs/dbraw/zinc/06/61/10/727066110.db2.gz CVJROFMGTSYEQE-ZDUSSCGKSA-N 2 0 252.406 1.661 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001016331837 727105836 /nfs/dbraw/zinc/10/58/36/727105836.db2.gz AJKHDBMBDYBSJJ-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046318331 727109690 /nfs/dbraw/zinc/10/96/90/727109690.db2.gz KLONBJGKLHLLME-RDJZCZTQSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC000989393442 727123341 /nfs/dbraw/zinc/12/33/41/727123341.db2.gz ZVKNNAUTAFFHRL-TZMCWYRMSA-N 2 0 299.846 1.660 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001018963113 727131826 /nfs/dbraw/zinc/13/18/26/727131826.db2.gz ZPZJCLVZEYWRHN-ZDUSSCGKSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001026422075 727214891 /nfs/dbraw/zinc/21/48/91/727214891.db2.gz ZILSNNGVCXHARE-SOUVJXGZSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001045556351 727221977 /nfs/dbraw/zinc/22/19/77/727221977.db2.gz CVSDJYRBMGVIGO-ZIAGYGMSSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855285868 727225888 /nfs/dbraw/zinc/22/58/88/727225888.db2.gz IXMXLVFIDXHRTQ-GFCCVEGCSA-N 2 0 253.390 1.093 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033926900 727251982 /nfs/dbraw/zinc/25/19/82/727251982.db2.gz GMXMTBSNJHKAEP-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001052716881 727286667 /nfs/dbraw/zinc/28/66/67/727286667.db2.gz QFPGZZISAJGKBT-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001052253048 727302913 /nfs/dbraw/zinc/30/29/13/727302913.db2.gz YVYYAYRRBBHXIF-KGLIPLIRSA-N 2 0 299.846 1.804 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C ZINC000303775663 727309647 /nfs/dbraw/zinc/30/96/47/727309647.db2.gz GWIAZCVTTULQBN-ZDUSSCGKSA-N 2 0 272.437 1.294 20 30 CDEDRP CC[NH+]1CCC(CCNC(=[NH2+])N[C@H](C)COC)CC1 ZINC000304739515 727355026 /nfs/dbraw/zinc/35/50/26/727355026.db2.gz BGTSAKUDRPINEM-GFCCVEGCSA-N 2 0 270.421 1.048 20 30 CDEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2 ZINC001035798624 727360114 /nfs/dbraw/zinc/36/01/14/727360114.db2.gz PKZNAMHUZUQVAD-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000303908296 727372727 /nfs/dbraw/zinc/37/27/27/727372727.db2.gz XLDXHNMTGHILFW-KGLIPLIRSA-N 2 0 284.448 1.438 20 30 CDEDRP C#CC[NH+]1CC[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21 ZINC001042093804 727376131 /nfs/dbraw/zinc/37/61/31/727376131.db2.gz BQHCDNQAYZKLCR-HOCLYGCPSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033531907 727380682 /nfs/dbraw/zinc/38/06/82/727380682.db2.gz ONYUDDSJNJQOQP-INIZCTEOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001022837359 727384628 /nfs/dbraw/zinc/38/46/28/727384628.db2.gz WHHXOBYPTLMBAT-BARDWOONSA-N 2 0 277.412 1.426 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3nccn32)C[C@H]1C ZINC001054895929 727399243 /nfs/dbraw/zinc/39/92/43/727399243.db2.gz NBJPBMJNNPZIJP-CHWSQXEVSA-N 2 0 284.363 1.570 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001032052779 727424362 /nfs/dbraw/zinc/42/43/62/727424362.db2.gz ADHIPBXOLXTPCB-UHFFFAOYSA-N 2 0 299.418 1.433 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000986823556 727440808 /nfs/dbraw/zinc/44/08/08/727440808.db2.gz JVYOAYCGUNOKLJ-GXTWGEPZSA-N 2 0 299.846 1.660 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001000381321 727461093 /nfs/dbraw/zinc/46/10/93/727461093.db2.gz YEHOVHINEFNABS-JKSUJKDBSA-N 2 0 291.439 1.463 20 30 CDEDRP CCOCCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000303897920 727463730 /nfs/dbraw/zinc/46/37/30/727463730.db2.gz QVFWQSBFUSCVNO-ZDUSSCGKSA-N 2 0 270.421 1.192 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038660378 727469925 /nfs/dbraw/zinc/46/99/25/727469925.db2.gz BUXJNZMMINNRND-AWEZNQCLSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001003776103 727478787 /nfs/dbraw/zinc/47/87/87/727478787.db2.gz IIEBZQCGSASGQO-HOTGVXAUSA-N 2 0 291.439 1.770 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049547708 727871927 /nfs/dbraw/zinc/87/19/27/727871927.db2.gz BMHHUNCGVLSYHV-OWCLPIDISA-N 2 0 291.439 1.415 20 30 CDEDRP N#Cc1ccc(CC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923522818 727888463 /nfs/dbraw/zinc/88/84/63/727888463.db2.gz ZTLZCXRZUQTSTK-JKSUJKDBSA-N 2 0 255.365 1.642 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001027972254 727889686 /nfs/dbraw/zinc/88/96/86/727889686.db2.gz SQZVNWDGCMVDQP-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033222070 727967121 /nfs/dbraw/zinc/96/71/21/727967121.db2.gz ZKMPIWQLWYHRHG-HNNXBMFYSA-N 2 0 298.390 1.975 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000862791806 728035578 /nfs/dbraw/zinc/03/55/78/728035578.db2.gz HVVQIMFYQNXRLV-OAHLLOKOSA-N 2 0 291.439 1.180 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001054970038 728035865 /nfs/dbraw/zinc/03/58/65/728035865.db2.gz YWHYHRYBBMYSQE-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000999419656 728063712 /nfs/dbraw/zinc/06/37/12/728063712.db2.gz FFKINQUFWVXFPH-CABCVRRESA-N 2 0 281.444 1.729 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)Cn2cncc2C)CC[C@@H]1C ZINC001071689844 728072544 /nfs/dbraw/zinc/07/25/44/728072544.db2.gz QMUYIVWLNUMPAD-JSGCOSHPSA-N 2 0 276.384 1.347 20 30 CDEDRP C#CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000886581195 728153684 /nfs/dbraw/zinc/15/36/84/728153684.db2.gz MXDAZNYHIWECDD-GASCZTMLSA-N 2 0 291.439 1.415 20 30 CDEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2CC[N@H+](C)C2)c1 ZINC000303906579 728180689 /nfs/dbraw/zinc/18/06/89/728180689.db2.gz WFXQEALUQIGNKW-LLVKDONJSA-N 2 0 292.383 1.382 20 30 CDEDRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834493665 728273771 /nfs/dbraw/zinc/27/37/71/728273771.db2.gz GLNVUWVZUQPNGB-UONOGXRCSA-N 2 0 280.416 1.116 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC)C[C@@H]2C)CC1 ZINC001044869576 728293929 /nfs/dbraw/zinc/29/39/29/728293929.db2.gz ATCDXBIZRZHFGI-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001005587661 728357237 /nfs/dbraw/zinc/35/72/37/728357237.db2.gz HWSCFPAXDFLFNH-MRXNPFEDSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033219050 728366735 /nfs/dbraw/zinc/36/67/35/728366735.db2.gz XGJPZMTYSAWNLO-CVEARBPZSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001106149460 913434860 /nfs/dbraw/zinc/43/48/60/913434860.db2.gz MCCXFRGRSZBGAE-KLHDSHLOSA-N 2 0 293.455 1.587 20 30 CDEDRP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150470798 913467239 /nfs/dbraw/zinc/46/72/39/913467239.db2.gz VHLYDTSGMMWXCJ-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C#CCCC[NH+]1CCN(CC[NH+](CC=C)CC=C)CC1 ZINC001209268037 894580952 /nfs/dbraw/zinc/58/09/52/894580952.db2.gz QIQIMBNVBYUQSW-UHFFFAOYSA-N 2 0 275.440 1.691 20 30 CDEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)Cc1cncn1C ZINC001176174104 913977597 /nfs/dbraw/zinc/97/75/97/913977597.db2.gz BESGCIBZRYIUHS-AWEZNQCLSA-N 2 0 292.427 1.803 20 30 CDEDRP C#CC[NH2+]CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000708591252 897860366 /nfs/dbraw/zinc/86/03/66/897860366.db2.gz PAYDWPKNVPSYGO-RDJZCZTQSA-N 2 0 299.418 1.094 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267561130 898373871 /nfs/dbraw/zinc/37/38/71/898373871.db2.gz MCFKLYHHSCCPNC-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001112522554 898933446 /nfs/dbraw/zinc/93/34/46/898933446.db2.gz DLOXIYMUPYFMJV-RDJZCZTQSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001027466398 900518305 /nfs/dbraw/zinc/51/83/05/900518305.db2.gz WDFYUQAMADSBAF-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001270443521 904639279 /nfs/dbraw/zinc/63/92/79/904639279.db2.gz HZBHKPGBIUFXFM-HOTGVXAUSA-N 2 0 293.455 1.472 20 30 CDEDRP C[C@H]1CCC[C@](CNC(=[NH2+])N2CCSCC2)([NH+](C)C)C1 ZINC000261976847 904651072 /nfs/dbraw/zinc/65/10/72/904651072.db2.gz GGOQVCDLCOJBJJ-ZFWWWQNUSA-N 2 0 298.500 1.860 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088571904 907990177 /nfs/dbraw/zinc/99/01/77/907990177.db2.gz RBACMIILQBJQQW-SNPRPXQTSA-N 2 0 277.412 1.093 20 30 CDEDRP C=CC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001102524475 909643113 /nfs/dbraw/zinc/64/31/13/909643113.db2.gz HNRHRLMIKRABDS-ZIAGYGMSSA-N 2 0 267.417 1.198 20 30 CDEDRP C[C@H](CCCC#N)[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001172499950 911736582 /nfs/dbraw/zinc/73/65/82/911736582.db2.gz HITPPLYQXNLFEH-OAHLLOKOSA-N 2 0 266.433 1.638 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC001088860724 911993036 /nfs/dbraw/zinc/99/30/36/911993036.db2.gz ZFULQPULFTVBFV-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=[NH2+])N(C)C)C1 ZINC000170903814 912091505 /nfs/dbraw/zinc/09/15/05/912091505.db2.gz TZZZFKFTOSCVRU-STQMWFEESA-N 2 0 254.422 1.621 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178689260 915564851 /nfs/dbraw/zinc/56/48/51/915564851.db2.gz OPDMRDRPVXIWTR-JYJNAYRXSA-N 2 0 291.439 1.462 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179482422 915851677 /nfs/dbraw/zinc/85/16/77/915851677.db2.gz SIDAKKSETAQOQZ-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)[C@H]1C ZINC001179534587 915860984 /nfs/dbraw/zinc/86/09/84/915860984.db2.gz PLVJXWZENOMMFA-ILXRZTDVSA-N 2 0 277.412 1.073 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001052713311 936397481 /nfs/dbraw/zinc/39/74/81/936397481.db2.gz USJOPBVPMRTDBT-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC(C)(C)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001182635455 917993591 /nfs/dbraw/zinc/99/35/91/917993591.db2.gz AGYJSCNBULONOM-UHFFFAOYSA-N 2 0 281.444 1.378 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001182963866 918222255 /nfs/dbraw/zinc/22/22/55/918222255.db2.gz GSQYTUDKPAWGBP-KGLIPLIRSA-N 2 0 285.407 1.433 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H]2C[NH+](CCC)C[C@H]2C1 ZINC001183044743 918269858 /nfs/dbraw/zinc/26/98/58/918269858.db2.gz MGJSRMIKFRODPF-HOTGVXAUSA-N 2 0 291.439 1.439 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001183647784 918585134 /nfs/dbraw/zinc/58/51/34/918585134.db2.gz LHOMLRDEEMGAIV-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP N#Cc1ccc(CC[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001205209396 918915036 /nfs/dbraw/zinc/91/50/36/918915036.db2.gz JAAHKNOSUMRIHN-INIZCTEOSA-N 2 0 273.380 1.276 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000997370234 919132578 /nfs/dbraw/zinc/13/25/78/919132578.db2.gz WYENTSUBPXKXRB-INIZCTEOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001185446676 919592328 /nfs/dbraw/zinc/59/23/28/919592328.db2.gz NNFLZAGGODUIRA-JKSUJKDBSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999190717 919690888 /nfs/dbraw/zinc/69/08/88/919690888.db2.gz SOLKOFVYGVJYLR-MGPQQGTHSA-N 2 0 299.846 1.660 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001032731285 919858911 /nfs/dbraw/zinc/85/89/11/919858911.db2.gz HXKIERXDLKWGRJ-ILXRZTDVSA-N 2 0 277.412 1.189 20 30 CDEDRP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001108022424 919999566 /nfs/dbraw/zinc/99/95/66/919999566.db2.gz IEXCFLXYZRLJBA-GDBMZVCRSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CCn1cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)cn1 ZINC001139771170 936645693 /nfs/dbraw/zinc/64/56/93/936645693.db2.gz QPNOSOGHMSBEEC-UHFFFAOYSA-N 2 0 260.385 1.597 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001191997158 922846683 /nfs/dbraw/zinc/84/66/83/922846683.db2.gz FYBVJQDHYNCZNC-CYBMUJFWSA-N 2 0 265.401 1.047 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192037989 922888916 /nfs/dbraw/zinc/88/89/16/922888916.db2.gz MZSDLDTUABRUPF-CQSZACIVSA-N 2 0 267.417 1.437 20 30 CDEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001192326334 923008447 /nfs/dbraw/zinc/00/84/47/923008447.db2.gz QCRHIBQJNWLMSS-HZPDHXFCSA-N 2 0 293.455 1.663 20 30 CDEDRP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001192344455 923017367 /nfs/dbraw/zinc/01/73/67/923017367.db2.gz XCNQFYRJFDCDPE-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP N#Cc1ccc(CN2CCCC[C@@](O)(C[NH3+])C2)s1 ZINC001205688927 924487945 /nfs/dbraw/zinc/48/79/45/924487945.db2.gz MCOPGCJNMZTVRV-CYBMUJFWSA-N 2 0 265.382 1.295 20 30 CDEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100980975 936950875 /nfs/dbraw/zinc/95/08/75/936950875.db2.gz PDMFCTZTGSZRSS-SHARSMKWSA-N 2 0 279.428 1.389 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001082589111 924961455 /nfs/dbraw/zinc/96/14/55/924961455.db2.gz IYVLYRARWFXBSG-RAIGVLPGSA-N 2 0 287.835 1.516 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001082782712 924997943 /nfs/dbraw/zinc/99/79/43/924997943.db2.gz MHQOLELRAOVYIK-BZUAXINKSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084629381 925313255 /nfs/dbraw/zinc/31/32/55/925313255.db2.gz UEAWJZHOEKCCOU-HZPDHXFCSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001084667807 925340409 /nfs/dbraw/zinc/34/04/09/925340409.db2.gz ZBNNLPDZAYPPCO-OWCLPIDISA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)[C@H](C)C1 ZINC001102101351 937041698 /nfs/dbraw/zinc/04/16/98/937041698.db2.gz ZQVGNUNGQUOQKV-HUUCEWRRSA-N 2 0 295.471 1.977 20 30 CDEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102480221 937059667 /nfs/dbraw/zinc/05/96/67/937059667.db2.gz DTUYRWVGWDMPRE-HZPDHXFCSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CCC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370007 937054020 /nfs/dbraw/zinc/05/40/20/937054020.db2.gz NVQBXJGBBUZGGJ-ARFHVFGLSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102380748 937056410 /nfs/dbraw/zinc/05/64/10/937056410.db2.gz VHWFKWQTXPHEGD-KFWWJZLASA-N 2 0 279.428 1.034 20 30 CDEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514687 937061811 /nfs/dbraw/zinc/06/18/11/937061811.db2.gz IVJGMIZNSCFOTG-OWCLPIDISA-N 2 0 291.439 1.036 20 30 CDEDRP C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001085987533 926569483 /nfs/dbraw/zinc/56/94/83/926569483.db2.gz FUSRVIAALFBMAE-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155237836 926671072 /nfs/dbraw/zinc/67/10/72/926671072.db2.gz MJXPNSWEUZFROM-HUUCEWRRSA-N 2 0 279.428 1.178 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103380146 937138687 /nfs/dbraw/zinc/13/86/87/937138687.db2.gz GUTNCFUJTPUFNN-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103998115 937184515 /nfs/dbraw/zinc/18/45/15/937184515.db2.gz JUKITEDXKLWSIA-RBSFLKMASA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606609 937240254 /nfs/dbraw/zinc/24/02/54/937240254.db2.gz IFJJLZBXSWEPGE-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361965 937281652 /nfs/dbraw/zinc/28/16/52/937281652.db2.gz QUOJGPTWDGNYCI-UHFFFAOYSA-N 2 0 281.444 1.925 20 30 CDEDRP C#CC[C@H](CCOC)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000862547479 929423162 /nfs/dbraw/zinc/42/31/62/929423162.db2.gz HDNRXFLVMXXCHT-OAHLLOKOSA-N 2 0 264.413 1.879 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152236889 937346763 /nfs/dbraw/zinc/34/67/63/937346763.db2.gz HORJVSXRKSQTRO-UHFFFAOYSA-N 2 0 275.396 1.644 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340916 937354523 /nfs/dbraw/zinc/35/45/23/937354523.db2.gz ZPOGQJMUMHBDEB-UHFFFAOYSA-N 2 0 273.808 1.321 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583710 929799171 /nfs/dbraw/zinc/79/91/71/929799171.db2.gz NQDRKGPSKHZPDJ-UONOGXRCSA-N 2 0 279.428 1.367 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135308010 930139530 /nfs/dbraw/zinc/13/95/30/930139530.db2.gz MQAPPKNLOSVECI-STQMWFEESA-N 2 0 291.395 1.461 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135977757 930586255 /nfs/dbraw/zinc/58/62/55/930586255.db2.gz YNSWLUKOOSSACE-CHWSQXEVSA-N 2 0 289.851 1.954 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2nccn21 ZINC001153819317 937473756 /nfs/dbraw/zinc/47/37/56/937473756.db2.gz WJSCWTKYNKOEDU-KGLIPLIRSA-N 2 0 288.395 1.220 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153879877 937479730 /nfs/dbraw/zinc/47/97/30/937479730.db2.gz OJEXVUOBHGYVRD-HZPDHXFCSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1CCC([NH3+])CC1 ZINC001160510573 931676319 /nfs/dbraw/zinc/67/63/19/931676319.db2.gz DDFUJBMVODURTA-ZDUSSCGKSA-N 2 0 253.390 1.400 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171176361 931807539 /nfs/dbraw/zinc/80/75/39/931807539.db2.gz YKXIGFYEUYJXGU-HUUCEWRRSA-N 2 0 279.428 1.226 20 30 CDEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCSCC[NH3+] ZINC001171193824 931868288 /nfs/dbraw/zinc/86/82/88/931868288.db2.gz CTWKLFFPWVUQDX-LBPRGKRZSA-N 2 0 263.410 1.771 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001091198730 932000895 /nfs/dbraw/zinc/00/08/95/932000895.db2.gz QQEZQIASNPIWJD-HWOWSKLDSA-N 2 0 291.439 1.226 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001091213660 932015408 /nfs/dbraw/zinc/01/54/08/932015408.db2.gz RISYJHIGLTZXIN-UHFFFAOYSA-N 2 0 299.846 1.565 20 30 CDEDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1C#N)C2 ZINC001275968618 932180033 /nfs/dbraw/zinc/18/00/33/932180033.db2.gz FSNWGPLZZXZKGK-QAPCUYQASA-N 2 0 298.434 1.626 20 30 CDEDRP CC#CC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001148656735 932760000 /nfs/dbraw/zinc/76/00/00/932760000.db2.gz BJWZOOZRTZZWHI-UHFFFAOYSA-N 2 0 291.439 1.276 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001171367425 932881350 /nfs/dbraw/zinc/88/13/50/932881350.db2.gz MBMMKGWWPTUVSW-CABCVRRESA-N 2 0 281.444 1.470 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226066 937651124 /nfs/dbraw/zinc/65/11/24/937651124.db2.gz GKWWVECCTSFNHT-UONOGXRCSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155282955 937656416 /nfs/dbraw/zinc/65/64/16/937656416.db2.gz DQRGMYZORSUELG-CQSZACIVSA-N 2 0 279.428 1.178 20 30 CDEDRP C[N@@H+]1CC[C@@H]2C[NH+](CCCSCC#N)C[C@@H]2C1 ZINC000931435040 933558583 /nfs/dbraw/zinc/55/85/83/933558583.db2.gz FAVZMTNDYBMIPT-OLZOCXBDSA-N 2 0 253.415 1.517 20 30 CDEDRP CC#CC[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCCCC1 ZINC001120207780 937786453 /nfs/dbraw/zinc/78/64/53/937786453.db2.gz FSPNNZNGWMSCLT-UHFFFAOYSA-N 2 0 293.455 1.759 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303877528 935046384 /nfs/dbraw/zinc/04/63/84/935046384.db2.gz FLFMYWKHPSFJKJ-HZSPNIEDSA-N 2 0 284.448 1.294 20 30 CDEDRP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015597378 935574610 /nfs/dbraw/zinc/57/46/10/935574610.db2.gz RBVAOMRJORLTMS-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049893753 936186957 /nfs/dbraw/zinc/18/69/57/936186957.db2.gz FACZEPRKNIAMHW-HZPDHXFCSA-N 2 0 289.423 1.171 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)CC1CC[NH2+]CC1 ZINC001122567597 937942277 /nfs/dbraw/zinc/94/22/77/937942277.db2.gz UZGPPIJSHMDTRY-ZDUSSCGKSA-N 2 0 253.390 1.128 20 30 CDEDRP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001157977841 938570371 /nfs/dbraw/zinc/57/03/71/938570371.db2.gz MAWOPAGLZSEPNM-BZUAXINKSA-N 2 0 291.439 1.273 20 30 CDEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158450170 938626833 /nfs/dbraw/zinc/62/68/33/938626833.db2.gz MZFNIXNCQBYARC-OAHLLOKOSA-N 2 0 279.428 1.274 20 30 CDEDRP N#Cc1c(NCC[C@H]2CCC[NH2+]2)ncc2c1CCC[NH2+]C2 ZINC001158628895 938643674 /nfs/dbraw/zinc/64/36/74/938643674.db2.gz PPZXYNLXSRVIIA-CYBMUJFWSA-N 2 0 285.395 1.543 20 30 CDEDRP CCCCN(CC#N)C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001160735006 938822430 /nfs/dbraw/zinc/82/24/30/938822430.db2.gz OFRUDKKNCAILEA-AWEZNQCLSA-N 2 0 282.432 1.634 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203622423 939697241 /nfs/dbraw/zinc/69/72/41/939697241.db2.gz ASGQRQQLXYVPHY-CABCVRRESA-N 2 0 291.439 1.369 20 30 CDEDRP N#CCc1ccccc1C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205725254 939926780 /nfs/dbraw/zinc/92/67/80/939926780.db2.gz FMPGBZJNLKCLDJ-MRXNPFEDSA-N 2 0 273.380 1.428 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207653011 940226939 /nfs/dbraw/zinc/22/69/39/940226939.db2.gz SXJHCCAXIYGPSV-KFWWJZLASA-N 2 0 279.428 1.032 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001209668716 940624662 /nfs/dbraw/zinc/62/46/62/940624662.db2.gz HGRZFCUVQYMNEG-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001209661182 940624700 /nfs/dbraw/zinc/62/47/00/940624700.db2.gz UIVJUHZGVHWFDG-CQSZACIVSA-N 2 0 281.444 1.731 20 30 CDEDRP N#Cc1cc(N)ccc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210268016 940677172 /nfs/dbraw/zinc/67/71/72/940677172.db2.gz RILFISXBAGFMBL-UHFFFAOYSA-N 2 0 294.362 1.689 20 30 CDEDRP C=CC[NH2+]CCN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001210266539 940677267 /nfs/dbraw/zinc/67/72/67/940677267.db2.gz HGATZDUYQDHLEI-MRXNPFEDSA-N 2 0 259.397 1.279 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210433586 940690496 /nfs/dbraw/zinc/69/04/96/940690496.db2.gz TXNLDYHQZLICCE-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214335863 940815764 /nfs/dbraw/zinc/81/57/64/940815764.db2.gz LHWRHGMEVBBXBU-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214890563 940843732 /nfs/dbraw/zinc/84/37/32/940843732.db2.gz XYFXZXKHAANHFP-BZUAXINKSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215460727 940887718 /nfs/dbraw/zinc/88/77/18/940887718.db2.gz FEMPIIBDMGQWFZ-RBSFLKMASA-N 2 0 281.444 1.729 20 30 CDEDRP Cc1c(O[C@H]2C[NH2+]C[C@H]2C#N)ccc2c1CC[NH2+]C2 ZINC001218199910 941043657 /nfs/dbraw/zinc/04/36/57/941043657.db2.gz HXVOVHRLASTJHL-DOMZBBRYSA-N 2 0 257.337 1.131 20 30 CDEDRP C[C@@H](C#N)c1ccc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cc1 ZINC001218871826 941282159 /nfs/dbraw/zinc/28/21/59/941282159.db2.gz UPYPZHLPIWQDQJ-GWCFXTLKSA-N 2 0 292.408 1.271 20 30 CDEDRP N#CCc1cccc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c1 ZINC001218987888 941297763 /nfs/dbraw/zinc/29/77/63/941297763.db2.gz OKLPBIDKQNHHAM-CQSZACIVSA-N 2 0 272.352 1.018 20 30 CDEDRP N#C[C@@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ccccc1 ZINC001219557453 941355239 /nfs/dbraw/zinc/35/52/39/941355239.db2.gz AKBVGAJJWMYYQL-HUUCEWRRSA-N 2 0 298.390 1.242 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772348 941549850 /nfs/dbraw/zinc/54/98/50/941549850.db2.gz VVMADDGCLURRPW-ZIAGYGMSSA-N 2 0 277.412 1.047 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001223984391 941712088 /nfs/dbraw/zinc/71/20/88/941712088.db2.gz BHHIAGDPBSSTHM-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C[N+](C)(C)CCO[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC001224775971 941790258 /nfs/dbraw/zinc/79/02/58/941790258.db2.gz QLWMCWYXLKOXDK-KRWDZBQOSA-N 2 0 288.415 1.855 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N(CC[NH3+])CC(F)(F)F ZINC001263180304 943776633 /nfs/dbraw/zinc/77/66/33/943776633.db2.gz IXMSUZPGMUEUTH-VIFPVBQESA-N 2 0 267.295 1.020 20 30 CDEDRP C[NH+](C)CCN1CC2(C1)CC[NH+](CCCCC#N)CC2 ZINC001277951680 944190187 /nfs/dbraw/zinc/19/01/87/944190187.db2.gz MPXTZDQBFZGWMZ-UHFFFAOYSA-N 2 0 278.444 1.640 20 30 CDEDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1C(=O)N(O)C[C@@H]1C ZINC001258903276 945444260 /nfs/dbraw/zinc/44/42/60/945444260.db2.gz OVHMGPNCENISQG-AVGNSLFASA-N 2 0 271.405 1.323 20 30 CDEDRP C=CCOC[C@@H](O)C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001246036704 947913044 /nfs/dbraw/zinc/91/30/44/947913044.db2.gz ZCUCKWSEGNFAAA-JKSUJKDBSA-N 2 0 282.428 1.404 20 30 CDEDRP CCCCCCCC[C@@H](O)CN1C[C@H]([NH3+])C2(COC2)C1 ZINC001246068161 947923349 /nfs/dbraw/zinc/92/33/49/947923349.db2.gz ZEFQGYBWJNDUPE-CABCVRRESA-N 2 0 284.444 1.757 20 30 CDEDRP [NH2+]=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cn1 ZINC001246216129 948033107 /nfs/dbraw/zinc/03/31/07/948033107.db2.gz XBTHGDYGUXYZOD-ZACCUICWSA-N 2 0 264.760 1.723 20 30 CDEDRP CC(C)(S)C[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256685927 948395529 /nfs/dbraw/zinc/39/55/29/948395529.db2.gz ISRXSAHRHQLGLF-UHFFFAOYSA-N 2 0 272.458 1.928 20 30 CDEDRP SCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256853893 948434955 /nfs/dbraw/zinc/43/49/55/948434955.db2.gz ZRVBSDOAFFJLHU-UHFFFAOYSA-N 2 0 251.399 1.960 20 30 CDEDRP C#CCOC[C@@H](O)C[N@@H+](C)C1CC[NH+](CCCC)CC1 ZINC001251857974 950879322 /nfs/dbraw/zinc/87/93/22/950879322.db2.gz OMUCHWLUQXEQLT-INIZCTEOSA-N 2 0 282.428 1.193 20 30 CDEDRP C=C[C@](C)(O)C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001252558449 951451702 /nfs/dbraw/zinc/45/17/02/951451702.db2.gz WUQRWEKWIHZNOT-HNNXBMFYSA-N 2 0 261.369 1.449 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001421714590 955498272 /nfs/dbraw/zinc/49/82/72/955498272.db2.gz ZQCUTWQJPDLWPZ-GFCCVEGCSA-N 2 0 299.846 1.709 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCC[C@@H]2C)CC1 ZINC001333666224 958493847 /nfs/dbraw/zinc/49/38/47/958493847.db2.gz BPJWCOUZAGPTHI-AWEZNQCLSA-N 2 0 294.443 1.420 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC001340151806 962778715 /nfs/dbraw/zinc/77/87/15/962778715.db2.gz OBQBNVBISISOBM-AWEZNQCLSA-N 2 0 267.417 1.662 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](Cc1ccccc1)[NH2+]C ZINC001341027695 963241757 /nfs/dbraw/zinc/24/17/57/963241757.db2.gz KGJWQOBINGKUBD-HZPDHXFCSA-N 2 0 289.423 1.617 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC001341767618 963534358 /nfs/dbraw/zinc/53/43/58/963534358.db2.gz OOCURBSCMDLWCJ-QWHCGFSZSA-N 2 0 253.390 1.257 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001100187933 967595398 /nfs/dbraw/zinc/59/53/98/967595398.db2.gz SPXZKGJAQLXSBT-JXQTWKCFSA-N 2 0 265.401 1.141 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100636878 968840597 /nfs/dbraw/zinc/84/05/97/968840597.db2.gz PQHUNQQJQGROHM-UHFFFAOYSA-N 2 0 273.808 1.175 20 30 CDEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001496612451 972989262 /nfs/dbraw/zinc/98/92/62/972989262.db2.gz NYLNSNJTWJHTIT-KBPBESRZSA-N 2 0 269.433 1.633 20 30 CDEDRP C#CCC[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132376393 1163260865 /nfs/dbraw/zinc/26/08/65/1163260865.db2.gz MKHJGSIAALKCOJ-HUUCEWRRSA-N 2 0 279.428 1.321 20 30 CDEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132376391 1163262011 /nfs/dbraw/zinc/26/20/11/1163262011.db2.gz MKHJGSIAALKCOJ-CABCVRRESA-N 2 0 279.428 1.321 20 30 CDEDRP C#CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132411116 1163278180 /nfs/dbraw/zinc/27/81/80/1163278180.db2.gz UDHJELIIFFBMRZ-CABCVRRESA-N 2 0 279.428 1.321 20 30 CDEDRP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001158773577 1163566110 /nfs/dbraw/zinc/56/61/10/1163566110.db2.gz SEWPSIXVJNMJOT-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001133225991 1163608686 /nfs/dbraw/zinc/60/86/86/1163608686.db2.gz MBGZLFABNXBVJX-JKSUJKDBSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[C@]1(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)CCC[NH2+]1 ZINC001574893052 1171040385 /nfs/dbraw/zinc/04/03/85/1171040385.db2.gz NXJNGXSRBAXJKR-DVOMOZLQSA-N 2 0 279.428 1.530 20 30 CDEDRP CC#CC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC001574962801 1171065092 /nfs/dbraw/zinc/06/50/92/1171065092.db2.gz OOUKZGAVCVQISD-LSDHHAIUSA-N 2 0 277.412 1.204 20 30 CDEDRP CC#CC[C@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC001574973224 1171070385 /nfs/dbraw/zinc/07/03/85/1171070385.db2.gz ULAYFJFYBJXFJP-AWEZNQCLSA-N 2 0 279.428 1.498 20 30 CDEDRP C[C@@H](CCNC(=O)[C@H]([NH3+])CCCC#N)[NH+]1CCCCC1 ZINC001575962538 1171305382 /nfs/dbraw/zinc/30/53/82/1171305382.db2.gz SWCQKQMQBZHFQS-UONOGXRCSA-N 2 0 280.416 1.388 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC000591667752 342641123 /nfs/dbraw/zinc/64/11/23/342641123.db2.gz VSHTWKZZPCNQFO-CVEARBPZSA-N 2 0 293.455 1.753 20 30 CDEDRP C[N@@H+]1CCN(CC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1(C)C ZINC000442877700 362099852 /nfs/dbraw/zinc/09/98/52/362099852.db2.gz ROKYXLUTICKIQY-KGLIPLIRSA-N 2 0 264.417 1.294 20 30 CDEDRP C=CCN1CC[C@@H]([N@H+](C)CCCC[NH+]2CCCCC2)C1=O ZINC000640534176 362404297 /nfs/dbraw/zinc/40/42/97/362404297.db2.gz MWECTCBAMGOPLW-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP COCC#CC[NH+]1CCC2(C[NH2+][C@@H]2C(C)C)CC1 ZINC001578948756 1172058951 /nfs/dbraw/zinc/05/89/51/1172058951.db2.gz GCJFOHSNPZAZBR-CQSZACIVSA-N 2 0 250.386 1.346 20 30 CDEDRP CC1(C#N)CCC([NH2+][C@H]2CCCN(CCCO)C2)CC1 ZINC000449396216 362691051 /nfs/dbraw/zinc/69/10/51/362691051.db2.gz KSNZXJSTJRCLHC-PCKAHOCUSA-N 2 0 279.428 1.895 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000491661197 347585359 /nfs/dbraw/zinc/58/53/59/347585359.db2.gz DGNUEADWWFIXRN-HNNXBMFYSA-N 2 0 294.443 1.148 20 30 CDEDRP C[NH+](C)CCOC1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602472324 350113479 /nfs/dbraw/zinc/11/34/79/350113479.db2.gz DZURPVVHDVWESI-UHFFFAOYSA-N 2 0 288.395 1.496 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cccnc1 ZINC000264076566 362958962 /nfs/dbraw/zinc/95/89/62/362958962.db2.gz HNWYYPMFBZRJFY-AWEZNQCLSA-N 2 0 275.400 1.013 20 30 CDEDRP CCNC(=[NH2+])NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000264110638 362968985 /nfs/dbraw/zinc/96/89/85/362968985.db2.gz QSGNDRQLZYEAGI-UHFFFAOYSA-N 2 0 289.427 1.123 20 30 CDEDRP CCNC(NCc1cccc(OCC[NH+](C)C)c1)=[NH+]CC ZINC000264112024 362970190 /nfs/dbraw/zinc/97/01/90/362970190.db2.gz OZKGQYABPDGTSG-UHFFFAOYSA-N 2 0 292.427 1.702 20 30 CDEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181721428 357376479 /nfs/dbraw/zinc/37/64/79/357376479.db2.gz MBCULQYYCSXUAY-CABCVRRESA-N 2 0 286.423 1.845 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)CC[NH3+])C(C)C ZINC000236680280 358795332 /nfs/dbraw/zinc/79/53/32/358795332.db2.gz XLZGCVHBILXCEZ-CYBMUJFWSA-N 2 0 253.390 1.150 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)C(C)C ZINC000236688308 358798992 /nfs/dbraw/zinc/79/89/92/358798992.db2.gz ZKETVNLKVABJOF-ARFHVFGLSA-N 2 0 293.455 1.929 20 30 CDEDRP C=CCN1CC[C@@H](N(C)C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000337188317 360031182 /nfs/dbraw/zinc/03/11/82/360031182.db2.gz QGVJHXLYTABSLY-ZIAGYGMSSA-N 2 0 265.401 1.047 20 30 CDEDRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC000429682967 360867655 /nfs/dbraw/zinc/86/76/55/360867655.db2.gz HVOPAQRTRMGKLX-LSDHHAIUSA-N 2 0 264.417 1.248 20 30 CDEDRP C=CCCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000338669386 360954264 /nfs/dbraw/zinc/95/42/64/360954264.db2.gz XNMFENHRSMVZQD-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181721461 189304942 /nfs/dbraw/zinc/30/49/42/189304942.db2.gz MBCULQYYCSXUAY-HUUCEWRRSA-N 2 0 286.423 1.845 20 30 CDEDRP COc1ccc(NC(=[NH2+])NCC[NH+]2CCCC2)cc1OC ZINC000170907818 365159796 /nfs/dbraw/zinc/15/97/96/365159796.db2.gz GOZYNPLZYQVUTM-UHFFFAOYSA-N 2 0 292.383 1.526 20 30 CDEDRP COc1ccccc1CNC(=[NH2+])NCC[NH+]1CCCC1 ZINC000170907904 365160013 /nfs/dbraw/zinc/16/00/13/365160013.db2.gz WWWJXKMETRBLEY-UHFFFAOYSA-N 2 0 276.384 1.195 20 30 CDEDRP C[C@H]1C[NH+]=C(NCC2CC[NH+](Cc3ccccc3)CC2)N1 ZINC000262655369 370443133 /nfs/dbraw/zinc/44/31/33/370443133.db2.gz LLDXJDUXDHZDLM-AWEZNQCLSA-N 2 0 286.423 1.836 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ncccc1C#N ZINC000176820341 372788470 /nfs/dbraw/zinc/78/84/70/372788470.db2.gz ZXDZXSSQHYJHMP-UHFFFAOYSA-N 2 0 289.427 1.663 20 30 CDEDRP C=C(C)C[N@@H+](CC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000340938047 373101672 /nfs/dbraw/zinc/10/16/72/373101672.db2.gz ZCJYMCFABKCIHG-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CCN1CC[C@H]([NH+]2CCC(CC[NH2+]C)CC2)C1=O ZINC000420299381 376323537 /nfs/dbraw/zinc/32/35/37/376323537.db2.gz BAIHOXDKHAIOSX-AWEZNQCLSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000491645983 261730255 /nfs/dbraw/zinc/73/02/55/261730255.db2.gz QVQXKTVXSBAOEL-ZDUSSCGKSA-N 2 0 250.390 1.198 20 30 CDEDRP N#Cc1cccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000383522353 378660403 /nfs/dbraw/zinc/66/04/03/378660403.db2.gz IPSGCPLKVSWBDJ-INIZCTEOSA-N 2 0 270.380 1.038 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158952529 390938383 /nfs/dbraw/zinc/93/83/83/390938383.db2.gz BLYGZXCEBIXAGW-ZNMIVQPWSA-N 2 0 252.402 1.730 20 30 CDEDRP C[C@@H]1C[N@H+](CCC(C)(C)C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000345952298 391323917 /nfs/dbraw/zinc/32/39/17/391323917.db2.gz NEHNRLAXSGTHED-CVEARBPZSA-N 2 0 292.471 1.884 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N(C)CCc1cccs1 ZINC000261665724 391673808 /nfs/dbraw/zinc/67/38/08/391673808.db2.gz BKSGUHIGFQZERK-ZDUSSCGKSA-N 2 0 294.468 1.892 20 30 CDEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000345116410 392019584 /nfs/dbraw/zinc/01/95/84/392019584.db2.gz VUEBXSDWLMUPJY-HUUCEWRRSA-N 2 0 294.443 1.553 20 30 CDEDRP C[NH+](C)CCOCC[NH2+]Cc1cc(C#N)cs1 ZINC000230004694 140206032 /nfs/dbraw/zinc/20/60/32/140206032.db2.gz BBMWTVSUVAYFOB-UHFFFAOYSA-N 2 0 253.371 1.288 20 30 CDEDRP C=CC[C@]1(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662702711 413346976 /nfs/dbraw/zinc/34/69/76/413346976.db2.gz CTZMQPIIOFTMDV-XJKSGUPXSA-N 2 0 279.428 1.531 20 30 CDEDRP CC[NH+](CC)CCOCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000359669210 158330215 /nfs/dbraw/zinc/33/02/15/158330215.db2.gz DQXVODPTIIKTTF-UHFFFAOYSA-N 2 0 278.400 1.345 20 30 CDEDRP C=CC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C)CC2)C1 ZINC000661378219 414036675 /nfs/dbraw/zinc/03/66/75/414036675.db2.gz APBHHGORUBKSBX-CQSZACIVSA-N 2 0 265.401 1.049 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])[C@H](C)CC)CC1 ZINC000236960814 260632790 /nfs/dbraw/zinc/63/27/90/260632790.db2.gz PXSYTPUNOQGUJF-DGCLKSJQSA-N 2 0 253.390 1.126 20 30 CDEDRP C[NH+]=C(NCc1cc(C)no1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158197075 261160600 /nfs/dbraw/zinc/16/06/00/261160600.db2.gz DGBDNCAKHULQDQ-SMDDNHRTSA-N 2 0 293.415 1.377 20 30 CDEDRP COc1ccccc1CNC(=[NH2+])NCCCC[NH+](C)C ZINC000264109277 262873024 /nfs/dbraw/zinc/87/30/24/262873024.db2.gz QGMATWDTCCQKKH-UHFFFAOYSA-N 2 0 278.400 1.441 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)C(C)C ZINC000165201150 264209820 /nfs/dbraw/zinc/20/98/20/264209820.db2.gz VXBONYRNEWTCNJ-HOTGVXAUSA-N 2 0 293.455 1.943 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1cccc(C#N)n1 ZINC000152461402 289135218 /nfs/dbraw/zinc/13/52/18/289135218.db2.gz DTKQWBCRKJAXIO-UHFFFAOYSA-N 2 0 289.427 1.663 20 30 CDEDRP C[NH+]=C(NCc1ccoc1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262022537 328143742 /nfs/dbraw/zinc/14/37/42/328143742.db2.gz ZCBYTHZVZDHLSC-BXUZGUMPSA-N 2 0 276.384 1.427 20 30 CDEDRP CSC1(CNC(=[NH2+])NC2CCCC2)CC[NH+](C)CC1 ZINC000262418178 330009000 /nfs/dbraw/zinc/00/90/00/330009000.db2.gz ZSADRUKSXWZPMA-UHFFFAOYSA-N 2 0 284.473 1.661 20 30 CDEDRP C[C@@H]1C[NH+]=C(NC[C@H](C2CCCCC2)[NH+](C)C)N1 ZINC000262634361 330023717 /nfs/dbraw/zinc/02/37/17/330023717.db2.gz GJRLQXXIWKKORK-DGCLKSJQSA-N 2 0 252.406 1.434 20 30 CDEDRP C#CCNC(NCC1([NH+]2CCSCC2)CCCC1)=[NH+]C ZINC000262608391 330028475 /nfs/dbraw/zinc/02/84/75/330028475.db2.gz HVBULUBSIWLIMI-UHFFFAOYSA-N 2 0 294.468 1.146 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CN[C@@H](C)C1C[NH2+]C1)C(C)C ZINC000422825750 330156473 /nfs/dbraw/zinc/15/64/73/330156473.db2.gz BAKFWAIADPBAOI-HOCLYGCPSA-N 2 0 265.445 1.883 20 30 CDEDRP C=C(C)COCC[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422989000 330163055 /nfs/dbraw/zinc/16/30/55/330163055.db2.gz KIEHORUWYLJZMZ-CQSZACIVSA-N 2 0 298.427 1.490 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000424125917 330258986 /nfs/dbraw/zinc/25/89/86/330258986.db2.gz AXGKFRQTLWYEKK-GJZGRUSLSA-N 2 0 292.427 1.484 20 30 CDEDRP C=CCC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C1CC1 ZINC000121014438 330394929 /nfs/dbraw/zinc/39/49/29/330394929.db2.gz CKOYQOTXTHFMOM-GOEBONIOSA-N 2 0 265.445 1.957 20 30 CDEDRP N#C[C@H]1CC[C@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000429715930 330553406 /nfs/dbraw/zinc/55/34/06/330553406.db2.gz OHUWKWLZJJMJKP-HOTGVXAUSA-N 2 0 277.412 1.723 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC[NH2+]1)C(C)C ZINC000444182673 330811125 /nfs/dbraw/zinc/81/11/25/330811125.db2.gz LLUURMLXPMMNCD-ZIAGYGMSSA-N 2 0 265.401 1.163 20 30 CDEDRP C#CCN1CCN(C(=O)C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000490780362 332115281 /nfs/dbraw/zinc/11/52/81/332115281.db2.gz KONDJMXVIYJNPH-CVEARBPZSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000565949442 334610987 /nfs/dbraw/zinc/61/09/87/334610987.db2.gz QMAGROXNIZYAKH-QGZVFWFLSA-N 2 0 299.418 1.640 20 30 CDEDRP C#CCN(C)CCC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000380838832 336036077 /nfs/dbraw/zinc/03/60/77/336036077.db2.gz NIXUWUMEVBLCGZ-KFWWJZLASA-N 2 0 264.413 1.735 20 30 CDEDRP C=CC[NH2+]CCN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000323456125 1159638508 /nfs/dbraw/zinc/63/85/08/1159638508.db2.gz GEHLCVDVCWWSBU-UHFFFAOYSA-N 2 0 273.424 1.970 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000236684452 482601147 /nfs/dbraw/zinc/60/11/47/482601147.db2.gz YVGOYQPIPIDTPK-OWCLPIDISA-N 2 0 293.455 1.929 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H](C)[NH3+])C(C)C ZINC000669385688 482763604 /nfs/dbraw/zinc/76/36/04/482763604.db2.gz FGVMLVPSLHQFMT-KBPBESRZSA-N 2 0 282.432 1.331 20 30 CDEDRP CC[C@H](CNC(=[NH2+])N1CCC(C)CC1)[NH+]1CCCC1 ZINC000303373951 483144084 /nfs/dbraw/zinc/14/40/84/483144084.db2.gz MXYVYNVQMHPXAI-CQSZACIVSA-N 2 0 266.433 1.907 20 30 CDEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089559416 1161219255 /nfs/dbraw/zinc/21/92/55/1161219255.db2.gz OIJFYGPKIJCMDF-CABCVRRESA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)CCCC[NH+](C)C)CC1 ZINC000740709965 574705811 /nfs/dbraw/zinc/70/58/11/574705811.db2.gz CTQZPTXRODQVGF-UHFFFAOYSA-N 2 0 279.428 1.132 20 30 CDEDRP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000969145146 613000958 /nfs/dbraw/zinc/00/09/58/613000958.db2.gz ZCZAGBMDLMGTFM-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000980475977 613092138 /nfs/dbraw/zinc/09/21/38/613092138.db2.gz LXRMUBPDUYMFTD-GJZGRUSLSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CC[N@H+]1CCCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000981812683 613139933 /nfs/dbraw/zinc/13/99/33/613139933.db2.gz TVVGHGGWZZLPIZ-UHFFFAOYSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942717861 613225503 /nfs/dbraw/zinc/22/55/03/613225503.db2.gz ASQDXXYUXSIJRZ-LSDHHAIUSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000947852816 613258536 /nfs/dbraw/zinc/25/85/36/613258536.db2.gz LWAOFMGMSIYIRE-CVEARBPZSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000971641026 613285530 /nfs/dbraw/zinc/28/55/30/613285530.db2.gz KOTSTMHYGWPROS-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981462610 613350851 /nfs/dbraw/zinc/35/08/51/613350851.db2.gz YCCILMJPGVIQHV-GJZGRUSLSA-N 2 0 291.439 1.675 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942597999 613519709 /nfs/dbraw/zinc/51/97/09/613519709.db2.gz PTJFVPQNHRKNJS-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968149880 613574330 /nfs/dbraw/zinc/57/43/30/613574330.db2.gz GFKHDJHNUYXRHJ-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948038774 613579315 /nfs/dbraw/zinc/57/93/15/613579315.db2.gz BKZNSMCRZKLAHY-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000971686281 613628132 /nfs/dbraw/zinc/62/81/32/613628132.db2.gz CBNSNUYHHSJXAE-AWEZNQCLSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000970019981 613668653 /nfs/dbraw/zinc/66/86/53/613668653.db2.gz JKUIGSIHWXNLGT-HOCLYGCPSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000981813357 613679860 /nfs/dbraw/zinc/67/98/60/613679860.db2.gz JKYCSTNMXYJVGQ-HNNXBMFYSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000943332968 613742509 /nfs/dbraw/zinc/74/25/09/613742509.db2.gz GSOLEZDSKVXFDM-GOEBONIOSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967397117 613769350 /nfs/dbraw/zinc/76/93/50/613769350.db2.gz MDZLEJUFBDTPPL-BBRMVZONSA-N 2 0 298.390 1.961 20 30 CDEDRP C=C(C)C[NH+]1CCC(N[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925608563 617552934 /nfs/dbraw/zinc/55/29/34/617552934.db2.gz FIUWAYXNKTYEJX-AWEZNQCLSA-N 2 0 251.418 1.757 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1ccc(C(=O)OCC)[nH]1 ZINC000894863869 619107291 /nfs/dbraw/zinc/10/72/91/619107291.db2.gz YXORKYYDYQPMAQ-UHFFFAOYSA-N 2 0 277.368 1.236 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000896520353 620127363 /nfs/dbraw/zinc/12/73/63/620127363.db2.gz HYZOYNPBZWGCBD-OAHLLOKOSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000911685949 629415956 /nfs/dbraw/zinc/41/59/56/629415956.db2.gz WRUOKBKKEOGAOB-AGIUHOORSA-N 2 0 253.390 1.398 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000913519704 630524555 /nfs/dbraw/zinc/52/45/55/630524555.db2.gz LHOUDRZBHWTRHG-OAHLLOKOSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001753893412 1158487836 /nfs/dbraw/zinc/48/78/36/1158487836.db2.gz AUUKXMBGBNCCLX-LSDHHAIUSA-N 2 0 291.439 1.226 20 30 CDEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001110102034 1162465320 /nfs/dbraw/zinc/46/53/20/1162465320.db2.gz PSIWMACMUGWEPA-FZKCQIBNSA-N 2 0 291.439 1.626 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430251 1162473464 /nfs/dbraw/zinc/47/34/64/1162473464.db2.gz QFFPVWBSWKRHLR-OAHLLOKOSA-N 2 0 279.428 1.675 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130172243 1162564522 /nfs/dbraw/zinc/56/45/22/1162564522.db2.gz ZGCCQDZOFSLHOE-UHFFFAOYSA-N 2 0 279.428 1.534 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130297220 1162596875 /nfs/dbraw/zinc/59/68/75/1162596875.db2.gz IZPZDXIMIPBRDH-ZIAGYGMSSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CC[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001130656451 1162687355 /nfs/dbraw/zinc/68/73/55/1162687355.db2.gz QNMBGWDJVXFOAV-UHFFFAOYSA-N 2 0 258.325 1.148 20 30 CDEDRP C#CC[NH2+]CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379682270 1159711084 /nfs/dbraw/zinc/71/10/84/1159711084.db2.gz WQPRPNNARDYXKI-DOTOQJQBSA-N 2 0 299.418 1.379 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131840214 1163071378 /nfs/dbraw/zinc/07/13/78/1163071378.db2.gz DMNBHKZSVRQJSK-UHFFFAOYSA-N 2 0 281.444 1.923 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001088899160 1161038716 /nfs/dbraw/zinc/03/87/16/1161038716.db2.gz PIOIQCWEKMGCDR-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132265580 1163219183 /nfs/dbraw/zinc/21/91/83/1163219183.db2.gz PBRIMPZGLWRRDG-CABCVRRESA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[N@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132426399 1163282078 /nfs/dbraw/zinc/28/20/78/1163282078.db2.gz WZMOWKBHBHRUBU-LSDHHAIUSA-N 2 0 297.443 1.110 20 30 CDEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001133073249 1163551637 /nfs/dbraw/zinc/55/16/37/1163551637.db2.gz RSPAFRLWJKKAPS-GJZGRUSLSA-N 2 0 279.428 1.036 20 30 CDEDRP N#Cc1c(N[C@@]23CCC[C@@H]2[NH2+]CC3)ncc2c1CCC[NH2+]C2 ZINC001155402851 1167159796 /nfs/dbraw/zinc/15/97/96/1167159796.db2.gz WPIKBURGYNQGRB-DOTOQJQBSA-N 2 0 297.406 1.686 20 30 CDEDRP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001716039634 1180012452 /nfs/dbraw/zinc/01/24/52/1180012452.db2.gz QUQOVFMMTSTIHN-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001717145168 1180546747 /nfs/dbraw/zinc/54/67/47/1180546747.db2.gz JAWDMUDMCWMSLJ-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001753203520 1182238158 /nfs/dbraw/zinc/23/81/58/1182238158.db2.gz ZANQOAWKTPKIPX-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001753130653 1185078118 /nfs/dbraw/zinc/07/81/18/1185078118.db2.gz XBXIBZKUDXWLLS-GJZGRUSLSA-N 2 0 299.434 1.681 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001753439255 1185209181 /nfs/dbraw/zinc/20/91/81/1185209181.db2.gz MDQOLTTXDWWSLK-CQSZACIVSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001753483530 1185231322 /nfs/dbraw/zinc/23/13/22/1185231322.db2.gz JECROYBLDJGNPY-SOUVJXGZSA-N 2 0 281.444 1.777 20 30 CDEDRP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001753614950 1185269361 /nfs/dbraw/zinc/26/93/61/1185269361.db2.gz WMJAJGXHGYKPSZ-QLFBSQMISA-N 2 0 279.428 1.082 20 30 CDEDRP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001753632176 1185277534 /nfs/dbraw/zinc/27/75/34/1185277534.db2.gz ITCJKGVNICDUKB-CABCVRRESA-N 2 0 279.428 1.226 20 30 CDEDRP C#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001753824243 1185345588 /nfs/dbraw/zinc/34/55/88/1185345588.db2.gz WUMXJSVOTGHVAO-INIZCTEOSA-N 2 0 291.439 1.132 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001753896626 1185385811 /nfs/dbraw/zinc/38/58/11/1185385811.db2.gz WWTPCVFCVNIZMT-CVEARBPZSA-N 2 0 291.439 1.226 20 30 CDEDRP C=CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001754138745 1185480656 /nfs/dbraw/zinc/48/06/56/1185480656.db2.gz VZZMEWPQSRHWJJ-VQGNRHNMSA-N 2 0 277.412 1.451 20 30 CDEDRP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001754558346 1185666149 /nfs/dbraw/zinc/66/61/49/1185666149.db2.gz QKXXFKXABGUYLW-QGZVFWFLSA-N 2 0 291.439 1.276 20 30 CDEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001754656938 1185693972 /nfs/dbraw/zinc/69/39/72/1185693972.db2.gz XKIKKIKIWQNWPB-HZPDHXFCSA-N 2 0 291.439 1.226 20 30 CDEDRP C=CCCC[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001754682251 1185703377 /nfs/dbraw/zinc/70/33/77/1185703377.db2.gz BPGGEEGHKVZIIG-INIZCTEOSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCC1 ZINC001754982056 1185778377 /nfs/dbraw/zinc/77/83/77/1185778377.db2.gz NXJAUMQBRBZEMZ-VXGBXAGGSA-N 2 0 274.368 1.328 20 30 CDEDRP C#CCC[NH2+]C1CCC(N(C)C(=O)CC[N@@H+](C)CC)CC1 ZINC001755276310 1185886259 /nfs/dbraw/zinc/88/62/59/1185886259.db2.gz BUZQYYCJDCBFAL-UHFFFAOYSA-N 2 0 293.455 1.711 20 30 CDEDRP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001045523249 728755844 /nfs/dbraw/zinc/75/58/44/728755844.db2.gz GUJKPLQHBSEPSA-AWEZNQCLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001036306316 728803806 /nfs/dbraw/zinc/80/38/06/728803806.db2.gz WTCRWXDLBSTNJB-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001015611615 728806949 /nfs/dbraw/zinc/80/69/49/728806949.db2.gz KAWMNVXOHSYKGY-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015597140 728849872 /nfs/dbraw/zinc/84/98/72/728849872.db2.gz NGFQLJJKCIJVHY-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCN1CCC[C@H](NC(=[NH2+])N2CCC(C)CC2)C1 ZINC000887323794 728876707 /nfs/dbraw/zinc/87/67/07/728876707.db2.gz HVLXXIYYHRUKHG-AWEZNQCLSA-N 2 0 262.401 1.340 20 30 CDEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=[NH2+])N2CCCCCC2)C1 ZINC000305049301 728883157 /nfs/dbraw/zinc/88/31/57/728883157.db2.gz GOAXWEDUJYSGFW-HNNXBMFYSA-N 2 0 296.459 1.534 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CCn2ccnc2)[C@H]1C ZINC000986629570 728895905 /nfs/dbraw/zinc/89/59/05/728895905.db2.gz RWEIJYVCVHDBHQ-STQMWFEESA-N 2 0 262.357 1.038 20 30 CDEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001072800191 728947620 /nfs/dbraw/zinc/94/76/20/728947620.db2.gz HKVDIHHIFQQDFC-HNNXBMFYSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075905992 728408188 /nfs/dbraw/zinc/40/81/88/728408188.db2.gz CZTZZQIKECKHKB-HRCADAONSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000923374621 728451214 /nfs/dbraw/zinc/45/12/14/728451214.db2.gz BUFXBIBPEVMREZ-ARFHVFGLSA-N 2 0 282.428 1.532 20 30 CDEDRP C#CCC[NH+]1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000851872371 728482746 /nfs/dbraw/zinc/48/27/46/728482746.db2.gz DECVVTHLTFOSJB-IAGOWNOFSA-N 2 0 277.456 1.605 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001007617745 728533264 /nfs/dbraw/zinc/53/32/64/728533264.db2.gz INOSSWQGKVGAQK-CQSZACIVSA-N 2 0 290.411 1.693 20 30 CDEDRP C=CC[N@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001000903113 728586225 /nfs/dbraw/zinc/58/62/25/728586225.db2.gz IWWBXGRBKOTHGR-UHFFFAOYSA-N 2 0 289.423 1.549 20 30 CDEDRP C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001038321830 729058215 /nfs/dbraw/zinc/05/82/15/729058215.db2.gz OLMNLWGQKXELBQ-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP CC(C)[C@H](CNC(=[NH2+])N1CCOCC1)[NH+]1CCC(C)CC1 ZINC000303886957 729128919 /nfs/dbraw/zinc/12/89/19/729128919.db2.gz KOYMPCROPRJRES-HNNXBMFYSA-N 2 0 296.459 1.390 20 30 CDEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCO[C@H](C)C#N)C[C@@H]1C ZINC000801924872 729188497 /nfs/dbraw/zinc/18/84/97/729188497.db2.gz XEGINNICIQZRBB-MJBXVCDLSA-N 2 0 253.390 1.720 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001074649458 729213680 /nfs/dbraw/zinc/21/36/80/729213680.db2.gz ZDTROSHZGYLSPK-SOUVJXGZSA-N 2 0 279.428 1.624 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000996612382 729232036 /nfs/dbraw/zinc/23/20/36/729232036.db2.gz QVVNEGUCIUWKAA-LSDHHAIUSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000837005977 729232826 /nfs/dbraw/zinc/23/28/26/729232826.db2.gz XUUQPVBFPPQCPY-CYBMUJFWSA-N 2 0 253.390 1.047 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001049370645 729259596 /nfs/dbraw/zinc/25/95/96/729259596.db2.gz XWRRKZNSIGYXLN-ARFHVFGLSA-N 2 0 289.423 1.169 20 30 CDEDRP C=C(Cl)CN1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001009200948 729278961 /nfs/dbraw/zinc/27/89/61/729278961.db2.gz IVRYIVJUPWYCDS-KGLIPLIRSA-N 2 0 299.846 1.661 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001000194509 729323282 /nfs/dbraw/zinc/32/32/82/729323282.db2.gz VUWCTIAIYGCPDF-JSGCOSHPSA-N 2 0 299.846 1.661 20 30 CDEDRP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001049724495 729326570 /nfs/dbraw/zinc/32/65/70/729326570.db2.gz TUJICLACJAKAEC-HRCADAONSA-N 2 0 289.423 1.169 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)Cn2cncc2C)C[C@@H]1CC ZINC001037876317 729365650 /nfs/dbraw/zinc/36/56/50/729365650.db2.gz PJKUSDUBZYFDHG-GJZGRUSLSA-N 2 0 290.411 1.594 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001075106214 729367359 /nfs/dbraw/zinc/36/73/59/729367359.db2.gz ZZVKRMHMBLMLLI-XQQFMLRXSA-N 2 0 285.819 1.270 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034398147 729379948 /nfs/dbraw/zinc/37/99/48/729379948.db2.gz MWDLPDFYEZKYJR-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989662814 729635735 /nfs/dbraw/zinc/63/57/35/729635735.db2.gz YDQFKNMNFSNGBC-CQSZACIVSA-N 2 0 265.401 1.049 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCO[C@H](C)C1 ZINC000261999266 729688991 /nfs/dbraw/zinc/68/89/91/729688991.db2.gz PARVPVRQSXGELU-MGPQQGTHSA-N 2 0 282.432 1.190 20 30 CDEDRP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001039438143 729706061 /nfs/dbraw/zinc/70/60/61/729706061.db2.gz IMRJIPSADOXXTF-PMPSAXMXSA-N 2 0 291.439 1.415 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000997182611 729713091 /nfs/dbraw/zinc/71/30/91/729713091.db2.gz HGPLMTHGICNXQF-GOEBONIOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001072751936 729801349 /nfs/dbraw/zinc/80/13/49/729801349.db2.gz MJCDYIXPTZGMNX-HUUCEWRRSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001020144152 729802152 /nfs/dbraw/zinc/80/21/52/729802152.db2.gz RVVMGJOXKIUTGG-RBSFLKMASA-N 2 0 279.428 1.672 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001028661738 729804429 /nfs/dbraw/zinc/80/44/29/729804429.db2.gz NWHQFNVSAHSOGU-CQSZACIVSA-N 2 0 296.374 1.409 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001018266464 729828393 /nfs/dbraw/zinc/82/83/93/729828393.db2.gz PEKUMPYVTJWJNV-OAGGEKHMSA-N 2 0 291.439 1.580 20 30 CDEDRP CC1CC[NH+](CCCNC(=[NH2+])NCC2CCC2)CC1 ZINC000104157366 729831834 /nfs/dbraw/zinc/83/18/34/729831834.db2.gz LWUXGWZWOYUYSV-UHFFFAOYSA-N 2 0 266.433 1.813 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001020588647 729835879 /nfs/dbraw/zinc/83/58/79/729835879.db2.gz IJOGLBZXODVPCQ-RAIGVLPGSA-N 2 0 285.819 1.318 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995549811 729838899 /nfs/dbraw/zinc/83/88/99/729838899.db2.gz FOWANYSMSRGVOJ-OLZOCXBDSA-N 2 0 265.401 1.093 20 30 CDEDRP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001028335545 729866662 /nfs/dbraw/zinc/86/66/62/729866662.db2.gz XLLZYTMUJMNEGU-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001002143813 729883602 /nfs/dbraw/zinc/88/36/02/729883602.db2.gz CKVJACPMNKDYKR-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C[NH+](C)[C@H](CNC(=[NH2+])NCCc1ccccc1)C1CC1 ZINC000303870808 729885249 /nfs/dbraw/zinc/88/52/49/729885249.db2.gz FNUHRFUCEIPTMQ-OAHLLOKOSA-N 2 0 274.412 1.474 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001038259344 729885945 /nfs/dbraw/zinc/88/59/45/729885945.db2.gz ACXIZRPTAWERHW-HUUCEWRRSA-N 2 0 277.412 1.095 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000813618492 729889380 /nfs/dbraw/zinc/88/93/80/729889380.db2.gz LUAALNQZTWDPFI-OAHLLOKOSA-N 2 0 293.386 1.662 20 30 CDEDRP C=C(C)CN1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001038410672 729892434 /nfs/dbraw/zinc/89/24/34/729892434.db2.gz QUDXSMMLBFYZLR-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001001264688 729905276 /nfs/dbraw/zinc/90/52/76/729905276.db2.gz ORUQOVYSQOJQRC-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001023446835 729949519 /nfs/dbraw/zinc/94/95/19/729949519.db2.gz YZOANTYDXGUHKW-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C[C@@H](C[NH+]=C(N(C)C)N(C)C)[NH+]1CCC(C)CC1 ZINC000261975517 729959220 /nfs/dbraw/zinc/95/92/20/729959220.db2.gz FWVOTULYSMGPSM-ZDUSSCGKSA-N 2 0 254.422 1.586 20 30 CDEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044292243 729977542 /nfs/dbraw/zinc/97/75/42/729977542.db2.gz KKGSQBUIZWVYNV-ZDUSSCGKSA-N 2 0 265.401 1.047 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001054970035 729980715 /nfs/dbraw/zinc/98/07/15/729980715.db2.gz YWHYHRYBBMYSQE-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCC[C@H](C)[NH+]1CCCCC1 ZINC000305803962 729981302 /nfs/dbraw/zinc/98/13/02/729981302.db2.gz FRFKPBLQNZPNIL-ZDUSSCGKSA-N 2 0 252.406 1.731 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015091531 730018615 /nfs/dbraw/zinc/01/86/15/730018615.db2.gz WECMQEHNJBJLMK-CQSZACIVSA-N 2 0 277.412 1.381 20 30 CDEDRP C=C(Cl)CN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016002648 730019553 /nfs/dbraw/zinc/01/95/53/730019553.db2.gz VIFXPRWBKDKJIC-GFCCVEGCSA-N 2 0 283.803 1.025 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000985788267 730020075 /nfs/dbraw/zinc/02/00/75/730020075.db2.gz UCLCKJLUNMZOLY-CYBMUJFWSA-N 2 0 265.401 1.047 20 30 CDEDRP C[C@@H](C#N)OCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134918 730024204 /nfs/dbraw/zinc/02/42/04/730024204.db2.gz SLDXMMZYZJSLDF-KGLIPLIRSA-N 2 0 274.368 1.521 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001008528006 730026288 /nfs/dbraw/zinc/02/62/88/730026288.db2.gz AKGKIYRFBLCGHI-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CCN1CCC[C@H]([NH2+]C2CC[NH+](CCC)CC2)C1 ZINC000886659307 730307198 /nfs/dbraw/zinc/30/71/98/730307198.db2.gz IZXXVTQPFOKBSL-INIZCTEOSA-N 2 0 263.429 1.548 20 30 CDEDRP C#CCC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001034398976 730371022 /nfs/dbraw/zinc/37/10/22/730371022.db2.gz QBQZKGCKNNNBIH-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@H](CC(C)C)[NH+]1CCCC1 ZINC000303775718 730396407 /nfs/dbraw/zinc/39/64/07/730396407.db2.gz GYQXKVAIMRYALM-KBPBESRZSA-N 2 0 284.448 1.436 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001049057096 730406675 /nfs/dbraw/zinc/40/66/75/730406675.db2.gz LQABSJKVUFEWJC-HRCADAONSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001178045828 915122045 /nfs/dbraw/zinc/12/20/45/915122045.db2.gz WVXCXRCHLALVFP-HNNXBMFYSA-N 2 0 281.444 1.923 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001106336123 913861511 /nfs/dbraw/zinc/86/15/11/913861511.db2.gz DCBFKDCZHRCKDB-HUUCEWRRSA-N 2 0 295.471 1.977 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001106432239 913924337 /nfs/dbraw/zinc/92/43/37/913924337.db2.gz REDVBZVGWBTJQU-UKRRQHHQSA-N 2 0 296.374 1.265 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106665519 914115693 /nfs/dbraw/zinc/11/56/93/914115693.db2.gz ZRDWJUUPUKPPOZ-OWCLPIDISA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001024448475 898060750 /nfs/dbraw/zinc/06/07/50/898060750.db2.gz ONYDTWPKIXCBJV-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001020236071 899250902 /nfs/dbraw/zinc/25/09/02/899250902.db2.gz QJUXMTSGVMWUTP-RBSFLKMASA-N 2 0 279.428 1.387 20 30 CDEDRP C#CCN1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000993612192 914377259 /nfs/dbraw/zinc/37/72/59/914377259.db2.gz JPLBBNBNQBRDIJ-XJKSGUPXSA-N 2 0 296.374 1.550 20 30 CDEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001028206416 901588148 /nfs/dbraw/zinc/58/81/48/901588148.db2.gz UCBSUWNHGXVOIC-KRWDZBQOSA-N 2 0 299.418 1.576 20 30 CDEDRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(CS)cc1 ZINC001167884091 901643416 /nfs/dbraw/zinc/64/34/16/901643416.db2.gz QCMLUQLSRFDOPO-UHFFFAOYSA-N 2 0 252.387 1.792 20 30 CDEDRP N#Cc1ccc(Cl)c(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001167884312 901644099 /nfs/dbraw/zinc/64/40/99/901644099.db2.gz UZGYMWOGXSWADA-UHFFFAOYSA-N 2 0 266.736 1.282 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001482058470 902569405 /nfs/dbraw/zinc/56/94/05/902569405.db2.gz GNUBQUPHFNPEHO-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087828461 905878649 /nfs/dbraw/zinc/87/86/49/905878649.db2.gz LWYOORISTXVOFA-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087827678 905879658 /nfs/dbraw/zinc/87/96/58/905879658.db2.gz FAEKIBFXFDNKCY-HZSPNIEDSA-N 2 0 265.401 1.093 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168029487 905928521 /nfs/dbraw/zinc/92/85/21/905928521.db2.gz GMNVVJIZNUCQRT-LSDHHAIUSA-N 2 0 277.412 1.123 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092611527 909465472 /nfs/dbraw/zinc/46/54/72/909465472.db2.gz ZLXHLVKWAUSGFH-BMFZPTHFSA-N 2 0 291.439 1.198 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001092828922 909519621 /nfs/dbraw/zinc/51/96/21/909519621.db2.gz VMEWMTSAGIMWJO-UKRRQHHQSA-N 2 0 298.390 1.818 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001205457700 921609391 /nfs/dbraw/zinc/60/93/91/921609391.db2.gz LPZSCGPIDJOAAK-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCN1CCC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1=O ZINC001172114249 911288938 /nfs/dbraw/zinc/28/89/38/911288938.db2.gz MMICWSVZYDMOTR-QKPAOTATSA-N 2 0 291.439 1.768 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001178701766 915591963 /nfs/dbraw/zinc/59/19/63/915591963.db2.gz CVDWMKYNHSFOFC-UHFFFAOYSA-N 2 0 281.444 1.923 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC001179546229 915879467 /nfs/dbraw/zinc/87/94/67/915879467.db2.gz GUGBDSCQRZMRQA-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001180060645 916138824 /nfs/dbraw/zinc/13/88/24/916138824.db2.gz KJKBAHDUEKJTCL-HNNXBMFYSA-N 2 0 281.444 1.780 20 30 CDEDRP N#C[C@@H]1CC[C@H](NC(=[NH2+])SCCSC(N)=[NH2+])C1 ZINC001254644528 936426830 /nfs/dbraw/zinc/42/68/30/936426830.db2.gz STSLOTFFNVJLAH-SFYZADRCSA-N 2 0 271.415 1.563 20 30 CDEDRP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001054198595 936431815 /nfs/dbraw/zinc/43/18/15/936431815.db2.gz AOQIUHBTFJHTGB-RDJZCZTQSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1(C)C ZINC000995880231 918184599 /nfs/dbraw/zinc/18/45/99/918184599.db2.gz JFTFWPUSGUZNCR-LSDHHAIUSA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001182932665 918239506 /nfs/dbraw/zinc/23/95/06/918239506.db2.gz CWEATCYCXDAKQJ-NVXWUHKLSA-N 2 0 293.455 1.426 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001185516803 919639987 /nfs/dbraw/zinc/63/99/87/919639987.db2.gz NNAWHPUNDXMJOO-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999051862 919656449 /nfs/dbraw/zinc/65/64/49/919656449.db2.gz UJXJSYRLYPXUMT-UHFFFAOYSA-N 2 0 291.439 1.770 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001185763268 919742706 /nfs/dbraw/zinc/74/27/06/919742706.db2.gz RQDWHWFEGRQQNI-HOTGVXAUSA-N 2 0 293.455 1.424 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001485912950 920570184 /nfs/dbraw/zinc/57/01/84/920570184.db2.gz OLWFQGBEQVZJCI-KGLIPLIRSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001188139834 920854724 /nfs/dbraw/zinc/85/47/24/920854724.db2.gz ROZMIYBFNRSJNX-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001188139566 920855018 /nfs/dbraw/zinc/85/50/18/920855018.db2.gz PJDIIBKQVAJPLL-CVEARBPZSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106265 920871594 /nfs/dbraw/zinc/87/15/94/920871594.db2.gz FXGGZFBTFWWSND-CQSZACIVSA-N 2 0 265.401 1.239 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072080893 936698172 /nfs/dbraw/zinc/69/81/72/936698172.db2.gz DDMOHKWRJDUFKO-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001190084072 921834855 /nfs/dbraw/zinc/83/48/55/921834855.db2.gz JWPULPJAPVDBRK-JKSUJKDBSA-N 2 0 291.439 1.415 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033197211 922036956 /nfs/dbraw/zinc/03/69/56/922036956.db2.gz HKKLSYDHVAUZQF-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034490374 922644849 /nfs/dbraw/zinc/64/48/49/922644849.db2.gz KYPMWZWFYBNPJJ-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000836346930 936777139 /nfs/dbraw/zinc/77/71/39/936777139.db2.gz ZUQPGHLTLIGSNP-OAHLLOKOSA-N 2 0 294.443 1.115 20 30 CDEDRP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001099203817 936782980 /nfs/dbraw/zinc/78/29/80/936782980.db2.gz SIYJXLBOYBBLOX-AWEZNQCLSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001192316635 923006796 /nfs/dbraw/zinc/00/67/96/923006796.db2.gz PJXSLHZHPITODU-LSDHHAIUSA-N 2 0 281.444 1.826 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001079681334 924403959 /nfs/dbraw/zinc/40/39/59/924403959.db2.gz HRGWYFSCGWGEEO-BZUAXINKSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CCOCC[NH2+]C1CC(CNC(=O)C[NH+](CC)CC)C1 ZINC001100770745 936933935 /nfs/dbraw/zinc/93/39/35/936933935.db2.gz MFTWOPDHERORCI-UHFFFAOYSA-N 2 0 297.443 1.015 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001082663615 924974886 /nfs/dbraw/zinc/97/48/86/924974886.db2.gz XLIMYXBTJXUMOF-FVQBIDKESA-N 2 0 291.439 1.483 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001082942035 925035576 /nfs/dbraw/zinc/03/55/76/925035576.db2.gz ZWBIFEVXCRBGKO-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001084661750 925338225 /nfs/dbraw/zinc/33/82/25/925338225.db2.gz HLVDUJBMORBAQG-RBSFLKMASA-N 2 0 277.412 1.189 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]21 ZINC001084970834 925532741 /nfs/dbraw/zinc/53/27/41/925532741.db2.gz WZZXERQKYHHVCU-OAGGEKHMSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085200665 925796620 /nfs/dbraw/zinc/79/66/20/925796620.db2.gz VEUGGKUWJJDYGQ-ARFHVFGLSA-N 2 0 291.439 1.531 20 30 CDEDRP C[NH+]1CCN(c2cc(Nc3cccc(C#N)n3)cc[nH+]2)CC1 ZINC001201650944 926373992 /nfs/dbraw/zinc/37/39/92/926373992.db2.gz KDYJVQJTTAWQNQ-UHFFFAOYSA-N 2 0 294.362 1.844 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001103003089 937110628 /nfs/dbraw/zinc/11/06/28/937110628.db2.gz AXPSPDPTSZFAMM-KLHDSHLOSA-N 2 0 293.455 1.587 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378839 937138264 /nfs/dbraw/zinc/13/82/64/937138264.db2.gz NKHVBDWSFIVMAG-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203327066 927154345 /nfs/dbraw/zinc/15/43/45/927154345.db2.gz XLBOJXWKVKMQPX-HUUCEWRRSA-N 2 0 291.439 1.369 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CCC)C2 ZINC001108802923 928637446 /nfs/dbraw/zinc/63/74/46/928637446.db2.gz RBFHVURYSYEUGJ-XHSDSOJGSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CCC)C2 ZINC001108803096 928637988 /nfs/dbraw/zinc/63/79/88/928637988.db2.gz WJZCDYZOBVKMCP-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109864740 929066747 /nfs/dbraw/zinc/06/67/47/929066747.db2.gz RMQMAMWOKZRQOT-RDBSUJKOSA-N 2 0 265.401 1.236 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109868554 929068809 /nfs/dbraw/zinc/06/88/09/929068809.db2.gz VYHNJWNZGNZDFS-ILXRZTDVSA-N 2 0 277.412 1.073 20 30 CDEDRP CC#CC[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCCC1 ZINC001115698283 937413790 /nfs/dbraw/zinc/41/37/90/937413790.db2.gz XXROEBKXPXLTAY-UHFFFAOYSA-N 2 0 293.455 1.760 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135979573 930578697 /nfs/dbraw/zinc/57/86/97/930578697.db2.gz HLXNIBZKCISHHA-KBPBESRZSA-N 2 0 269.433 1.777 20 30 CDEDRP C=CCOCC[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153314551 937438686 /nfs/dbraw/zinc/43/86/86/937438686.db2.gz MSPVQBCRPSHSJK-UHFFFAOYSA-N 2 0 297.443 1.161 20 30 CDEDRP C=CCCC[N@H+]1CCC[C@@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001274964249 931617625 /nfs/dbraw/zinc/61/76/25/931617625.db2.gz FRJHNHTZYGGOKU-KRWDZBQOSA-N 2 0 295.471 1.681 20 30 CDEDRP CCCCCCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001275131889 931674489 /nfs/dbraw/zinc/67/44/89/931674489.db2.gz ZRLOIZDRNXCEAU-SJORKVTESA-N 2 0 297.487 1.903 20 30 CDEDRP CC(C)(C)[C@H](C[NH3+])Nc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001160912329 932221777 /nfs/dbraw/zinc/22/17/77/932221777.db2.gz JQFYKFANSABYOW-AWEZNQCLSA-N 2 0 287.411 1.774 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155085209 937632480 /nfs/dbraw/zinc/63/24/80/937632480.db2.gz LEFPOWSNUJFEOK-HUUCEWRRSA-N 2 0 283.460 1.975 20 30 CDEDRP N#Cc1ccc(NCC[NH2+][C@H]2CCCCC[C@H]2[NH3+])nc1 ZINC000925893014 932949592 /nfs/dbraw/zinc/94/95/92/932949592.db2.gz JQRPWWCXFYGIIH-KGLIPLIRSA-N 2 0 273.384 1.615 20 30 CDEDRP C[C@H](C[NH+](C)C)Nc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001155915058 937688481 /nfs/dbraw/zinc/68/84/81/937688481.db2.gz PZBYFMSCQWEVNX-LLVKDONJSA-N 2 0 273.384 1.351 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000932140718 933670672 /nfs/dbraw/zinc/67/06/72/933670672.db2.gz GNTKNKMMXQEBGX-UHFFFAOYSA-N 2 0 267.417 1.531 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCSC ZINC000304739543 935085923 /nfs/dbraw/zinc/08/59/23/935085923.db2.gz XGZVFTDKGXVODH-NSHDSACASA-N 2 0 258.435 1.128 20 30 CDEDRP C=C[C@@H](O)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001253597919 935311944 /nfs/dbraw/zinc/31/19/44/935311944.db2.gz KYVZNHNAAYWAIQ-CQSZACIVSA-N 2 0 264.369 1.264 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015387925 935567724 /nfs/dbraw/zinc/56/77/24/935567724.db2.gz NFJGWVLIZLBLNY-GJZGRUSLSA-N 2 0 277.412 1.237 20 30 CDEDRP CCC[N@H+](C)C[C@@H]1CCN(CCO[C@H](C)C#N)C1 ZINC000801924858 936016296 /nfs/dbraw/zinc/01/62/96/936016296.db2.gz WOLRXIIFVVETMK-KGLIPLIRSA-N 2 0 253.390 1.579 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001097177303 936278165 /nfs/dbraw/zinc/27/81/65/936278165.db2.gz NFOGTJADRYTUGG-WCVJEAGWSA-N 2 0 291.439 1.768 20 30 CDEDRP C#CC[NH2+]CC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001121919159 937890382 /nfs/dbraw/zinc/89/03/82/937890382.db2.gz AOBZCEWRMVMVMD-OAHLLOKOSA-N 2 0 299.418 1.551 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157893627 938558317 /nfs/dbraw/zinc/55/83/17/938558317.db2.gz KGCGXBMEQCLZDV-CQSZACIVSA-N 2 0 267.417 1.531 20 30 CDEDRP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001158474287 938628129 /nfs/dbraw/zinc/62/81/29/938628129.db2.gz WLEZFSFPHLBEEV-JKSUJKDBSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001159910992 938759718 /nfs/dbraw/zinc/75/97/18/938759718.db2.gz VTMHJGJWEDRNPW-HNNXBMFYSA-N 2 0 279.428 1.675 20 30 CDEDRP N#Cc1ccc(-n2cc(CC[NH3+])c3c[nH+]ccc32)nc1 ZINC001160944533 938846591 /nfs/dbraw/zinc/84/65/91/938846591.db2.gz PHVUXQRFTWVTRR-UHFFFAOYSA-N 2 0 263.304 1.793 20 30 CDEDRP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161140947 938875277 /nfs/dbraw/zinc/87/52/77/938875277.db2.gz VGUDAVJYAUTGTN-MRXNPFEDSA-N 2 0 291.439 1.344 20 30 CDEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001161207802 938879211 /nfs/dbraw/zinc/87/92/11/938879211.db2.gz WQQLEOPYZBHYSF-ZBFHGGJFSA-N 2 0 291.439 1.509 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001161407769 938901291 /nfs/dbraw/zinc/90/12/91/938901291.db2.gz MTMRNFXXLNZZDB-UHFFFAOYSA-N 2 0 288.395 1.027 20 30 CDEDRP C#CCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161879589 938939417 /nfs/dbraw/zinc/93/94/17/938939417.db2.gz PUSKYKJJBNVAAO-UHFFFAOYSA-N 2 0 289.423 1.244 20 30 CDEDRP N#Cc1nc(Cl)cnc1NCCC[NH2+]CCCC[NH3+] ZINC001162290365 938971468 /nfs/dbraw/zinc/97/14/68/938971468.db2.gz QRCJZPVMJNFWPQ-UHFFFAOYSA-N 2 0 282.779 1.132 20 30 CDEDRP N#Cc1ncc(Cl)nc1NCCC[NH2+]CCCC[NH3+] ZINC001162290555 938972433 /nfs/dbraw/zinc/97/24/33/938972433.db2.gz ZXOPMFVIYNRPEW-UHFFFAOYSA-N 2 0 282.779 1.132 20 30 CDEDRP C[N@@H+]1CCC[C@H](CCNc2cc[nH+]c(CC#N)c2)C1 ZINC001165289598 939541163 /nfs/dbraw/zinc/54/11/63/939541163.db2.gz GLSLDIGMWAHMQX-CYBMUJFWSA-N 2 0 258.369 1.713 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001165485242 939567580 /nfs/dbraw/zinc/56/75/80/939567580.db2.gz QDASXXYIYYQSHF-CQSZACIVSA-N 2 0 279.428 1.389 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001165491843 939567647 /nfs/dbraw/zinc/56/76/47/939567647.db2.gz CIVXGGSQZOCATA-UHFFFAOYSA-N 2 0 293.455 1.923 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166765409 939637825 /nfs/dbraw/zinc/63/78/25/939637825.db2.gz ZOMFMFCZIKRWKJ-UHFFFAOYSA-N 2 0 281.444 1.780 20 30 CDEDRP CSc1nc(CN2C[C@H](C)[C@H](C[NH3+])C2)ccc1C#N ZINC001205140208 939827460 /nfs/dbraw/zinc/82/74/60/939827460.db2.gz DEAFVHOMGJMSGO-CMPLNLGQSA-N 2 0 276.409 1.702 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001205696038 939921490 /nfs/dbraw/zinc/92/14/90/939921490.db2.gz WJZSRIDOAZNILL-UHFFFAOYSA-N 2 0 298.390 1.962 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001206281249 940010964 /nfs/dbraw/zinc/01/09/64/940010964.db2.gz GBONYOZNDJQOAB-HIFRSBDPSA-N 2 0 279.428 1.198 20 30 CDEDRP C[NH+]1CCC(CC[N@@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001207481375 940206296 /nfs/dbraw/zinc/20/62/96/940206296.db2.gz DMRMVHFVIXFGHH-CQSZACIVSA-N 2 0 280.437 1.992 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@@H]2C[C@@H]2C)CC1 ZINC001209426945 940589258 /nfs/dbraw/zinc/58/92/58/940589258.db2.gz NISGBMKDOGSVEU-IRXDYDNUSA-N 2 0 277.456 1.934 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001209585285 940613105 /nfs/dbraw/zinc/61/31/05/940613105.db2.gz JNOGUXYNMJBBOK-BZUAXINKSA-N 2 0 295.471 1.975 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210227687 940673268 /nfs/dbraw/zinc/67/32/68/940673268.db2.gz DEFMKIGOJBCDQG-HNNXBMFYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211299946 940746760 /nfs/dbraw/zinc/74/67/60/940746760.db2.gz DONMQIXEFNCVEB-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214611112 940833040 /nfs/dbraw/zinc/83/30/40/940833040.db2.gz PLJKFVMCUIGKHS-BZUAXINKSA-N 2 0 291.439 1.319 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@H]1C ZINC001215929335 940912989 /nfs/dbraw/zinc/91/29/89/940912989.db2.gz FJXQFDFQSXOOIP-UKRRQHHQSA-N 2 0 288.395 1.041 20 30 CDEDRP C=C1CC[NH2+]C[C@H]1OC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217830849 941021508 /nfs/dbraw/zinc/02/15/08/941021508.db2.gz AXBYRIBRJONWAL-LSDHHAIUSA-N 2 0 280.412 1.470 20 30 CDEDRP N#Cc1oc2ccccc2c1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218629102 941247697 /nfs/dbraw/zinc/24/76/97/941247697.db2.gz WFVVLTMMDXUYAS-SNVBAGLBSA-N 2 0 272.308 1.309 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)C[NH+](CC)CC)CC1 ZINC001224904562 941804721 /nfs/dbraw/zinc/80/47/21/941804721.db2.gz QLANGQSZCLVWRG-UHFFFAOYSA-N 2 0 267.417 1.342 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001226876849 942087134 /nfs/dbraw/zinc/08/71/34/942087134.db2.gz IVSUCVGEGKBWRS-ARFHVFGLSA-N 2 0 291.439 1.511 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)C[NH+](CC)CC)CC1 ZINC001229679353 942510068 /nfs/dbraw/zinc/51/00/68/942510068.db2.gz WLWPQLIYKJWFBR-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CCCCCN(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001236923197 944616589 /nfs/dbraw/zinc/61/65/89/944616589.db2.gz JGRMMDXWRPWISW-OAHLLOKOSA-N 2 0 253.434 1.958 20 30 CDEDRP C=CC[NH2+]CCN1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236950385 944622990 /nfs/dbraw/zinc/62/29/90/944622990.db2.gz MPLMYAUHVIYNCT-UHFFFAOYSA-N 2 0 265.445 1.864 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001266222095 944770071 /nfs/dbraw/zinc/77/00/71/944770071.db2.gz NPURXNCHXRFBCN-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCOCCOCCC[NH3+] ZINC001258718959 945389883 /nfs/dbraw/zinc/38/98/83/945389883.db2.gz YXIDXSRQLCJAKO-AWEZNQCLSA-N 2 0 258.406 1.703 20 30 CDEDRP CCCCCCCCNC(=S)NCCNCC[NH3+] ZINC001239389511 945437360 /nfs/dbraw/zinc/43/73/60/945437360.db2.gz XTYXZMMUJRYOSC-UHFFFAOYSA-N 2 0 274.478 1.359 20 30 CDEDRP C[N@H+]1CC=C(c2ncc3c(c2C#N)CCC[NH2+]C3)CC1 ZINC001241307815 946211602 /nfs/dbraw/zinc/21/16/02/946211602.db2.gz KRKMXYGEFRYKKL-UHFFFAOYSA-N 2 0 268.364 1.708 20 30 CDEDRP CC(C)[NH+]1CCN(CC[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC001254643665 947566280 /nfs/dbraw/zinc/56/62/80/947566280.db2.gz QPYTYYFYLVTSJP-GJZGRUSLSA-N 2 0 264.417 1.294 20 30 CDEDRP C=CCCCCCC[C@H](O)C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246024544 947902785 /nfs/dbraw/zinc/90/27/85/947902785.db2.gz USCRKBYTJWOHIK-SOUVJXGZSA-N 2 0 270.417 1.125 20 30 CDEDRP CCCCCCCC[C@H](O)CN1CCN2CC[NH2+]C[C@@H]2C1 ZINC001246029550 947910794 /nfs/dbraw/zinc/91/07/94/947910794.db2.gz PXENARXRRMBAMO-SJORKVTESA-N 2 0 297.487 1.687 20 30 CDEDRP COC(=O)c1ccc(C(=[NH2+])N[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001246306435 948094929 /nfs/dbraw/zinc/09/49/29/948094929.db2.gz WAEQQHQPWQWACA-GWCFXTLKSA-N 2 0 275.352 1.319 20 30 CDEDRP COC(=O)c1ccc(C(=[NH2+])NC2C[C@H](C)[NH2+][C@@H](C)C2)cc1 ZINC001246306402 948096405 /nfs/dbraw/zinc/09/64/05/948096405.db2.gz VACWNKAUTVAEEU-QWRGUYRKSA-N 2 0 289.379 1.708 20 30 CDEDRP C=CCOC(=O)N1CCC(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246466597 948189379 /nfs/dbraw/zinc/18/93/79/948189379.db2.gz PIKUSOGXNDXEOU-ZFWWWQNUSA-N 2 0 295.427 1.751 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]CCCC[NH+](CC)CC ZINC001252482414 951344502 /nfs/dbraw/zinc/34/45/02/951344502.db2.gz LQIYGZRAKWUQNC-CQSZACIVSA-N 2 0 258.406 1.262 20 30 CDEDRP C=CCOC[C@@H](O)C[N@@H+](C)C1CC[NH+](CCCC)CC1 ZINC001252472226 951325911 /nfs/dbraw/zinc/32/59/11/951325911.db2.gz QDAPFRKKQUHPKA-INIZCTEOSA-N 2 0 284.444 1.746 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]CCc1c[nH]c2cc[nH+]cc12 ZINC001252492687 951362412 /nfs/dbraw/zinc/36/24/12/951362412.db2.gz ZUYXNXPMZGJTKZ-ZDUSSCGKSA-N 2 0 275.352 1.259 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001419901944 962220065 /nfs/dbraw/zinc/22/00/65/962220065.db2.gz CCKQZMIQBJBDQS-CHWSQXEVSA-N 2 0 287.835 1.564 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCC1CC[NH+](CC)CC1 ZINC001340865189 963161885 /nfs/dbraw/zinc/16/18/85/963161885.db2.gz OMUNTZQZQFLYQB-OAHLLOKOSA-N 2 0 281.444 1.908 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC001341465138 963425627 /nfs/dbraw/zinc/42/56/27/963425627.db2.gz ZVIJJTKRAVAKNE-UONOGXRCSA-N 2 0 285.432 1.169 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC001341584454 963474114 /nfs/dbraw/zinc/47/41/14/963474114.db2.gz FPAMVKCOQOBOSK-CHWSQXEVSA-N 2 0 253.390 1.223 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001100443781 968372165 /nfs/dbraw/zinc/37/21/65/968372165.db2.gz ZYYOLCGYQCMBJX-JXQTWKCFSA-N 2 0 267.417 1.387 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001100606774 968786655 /nfs/dbraw/zinc/78/66/55/968786655.db2.gz WPJZSKXWDSQMQB-UIDBIOKJSA-N 2 0 291.439 1.224 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001405786024 975859761 /nfs/dbraw/zinc/85/97/61/975859761.db2.gz ZBGJLCXKKIYJHF-AAEUAGOBSA-N 2 0 287.835 1.565 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001390610841 976391863 /nfs/dbraw/zinc/39/18/63/976391863.db2.gz UPSNZXVCPJXNSK-ZDUSSCGKSA-N 2 0 287.835 1.519 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001391940828 977157021 /nfs/dbraw/zinc/15/70/21/977157021.db2.gz VUASKWQXJXSKHH-VXGBXAGGSA-N 2 0 287.835 1.423 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001391949957 977161148 /nfs/dbraw/zinc/16/11/48/977161148.db2.gz MLXMNTWYOKDBQL-AAEUAGOBSA-N 2 0 289.851 1.667 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132279566 1163227614 /nfs/dbraw/zinc/22/76/14/1163227614.db2.gz ZAHJBXSJMXJRDQ-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001133311053 1163630098 /nfs/dbraw/zinc/63/00/98/1163630098.db2.gz VESWQZSZFPBXCM-LSDHHAIUSA-N 2 0 279.428 1.342 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001133346543 1163643467 /nfs/dbraw/zinc/64/34/67/1163643467.db2.gz MOFFZAQSBNZHPV-HOTGVXAUSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001674441426 1173946653 /nfs/dbraw/zinc/94/66/53/1173946653.db2.gz ZEVKKDGHPLCLRP-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP C#CC[C@@]1(C(=O)NCC[N@@H+](C)C2CCCCC2)CCC[NH2+]1 ZINC001574515859 1170989230 /nfs/dbraw/zinc/98/92/30/1170989230.db2.gz AKPZXFRCMXMSOL-KRWDZBQOSA-N 2 0 291.439 1.513 20 30 CDEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCCN1CC[NH2+]CC1 ZINC000591575887 342637616 /nfs/dbraw/zinc/63/76/16/342637616.db2.gz IPZFXXBIZKZYGZ-GOSISDBHSA-N 2 0 298.434 1.821 20 30 CDEDRP N#Cc1ccc(CC[N@@H+]2CCn3cncc3C2)cc1 ZINC000595492895 343076636 /nfs/dbraw/zinc/07/66/36/343076636.db2.gz YSPVBHNYGDNQHT-UHFFFAOYSA-N 2 0 252.321 1.813 20 30 CDEDRP C[NH+](C)C(C)(C)CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000083029902 342376356 /nfs/dbraw/zinc/37/63/56/342376356.db2.gz UCTWFVWJOFHIQB-ZDUSSCGKSA-N 2 0 290.411 1.755 20 30 CDEDRP C[NH+]1CCC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000330208510 530050769 /nfs/dbraw/zinc/05/07/69/530050769.db2.gz BCEGVSIDXQGQAL-CYBMUJFWSA-N 2 0 281.400 1.026 20 30 CDEDRP CN(CCC[N@H+](C)Cc1cccc(C#N)n1)CC[NH+](C)C ZINC000602665189 350138617 /nfs/dbraw/zinc/13/86/17/350138617.db2.gz SVUOYJFOLDDEGQ-UHFFFAOYSA-N 2 0 289.427 1.269 20 30 CDEDRP C[N@@H+]1CCC[C@@]2(CCN(Cc3cccc(C#N)n3)C2)C1 ZINC000602676593 350141135 /nfs/dbraw/zinc/14/11/35/350141135.db2.gz TXMGPPMSORXBDT-MRXNPFEDSA-N 2 0 270.380 1.871 20 30 CDEDRP C[NH+]=C(NCCC[N@@H+]1CCc2ccccc2C1)NC1CC1 ZINC000264040293 362952059 /nfs/dbraw/zinc/95/20/59/362952059.db2.gz IHUGXEOFCYMFSN-UHFFFAOYSA-N 2 0 286.423 1.762 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000264059947 362954134 /nfs/dbraw/zinc/95/41/34/362954134.db2.gz CNCQAOHTPAIXAH-UHFFFAOYSA-N 2 0 294.399 1.772 20 30 CDEDRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC000107370559 186171468 /nfs/dbraw/zinc/17/14/68/186171468.db2.gz CQMKLYNNLAPQJA-SFHVURJKSA-N 2 0 298.434 1.770 20 30 CDEDRP CCCCNC(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000264086970 362963003 /nfs/dbraw/zinc/96/30/03/362963003.db2.gz JTXOMKYVHKPPFD-UHFFFAOYSA-N 2 0 262.401 1.953 20 30 CDEDRP CNC(NC[C@H](C)N1CCc2sccc2C1)=[NH+]C ZINC000264131815 362973816 /nfs/dbraw/zinc/97/38/16/362973816.db2.gz YCTJVAHUUQNRLG-JTQLQIEISA-N 2 0 266.414 1.290 20 30 CDEDRP COc1ccc(NC(=[NH2+])NC[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000264297577 363024958 /nfs/dbraw/zinc/02/49/58/363024958.db2.gz QZLQNLOWHDHOGN-NSHDSACASA-N 2 0 276.384 1.905 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](C)[NH3+])C(C)C ZINC000165198685 363625563 /nfs/dbraw/zinc/62/55/63/363625563.db2.gz LXSCVHIPVSFITO-OLZOCXBDSA-N 2 0 253.390 1.148 20 30 CDEDRP N#Cc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000237962671 360239326 /nfs/dbraw/zinc/23/93/26/360239326.db2.gz TVPWMFKKNFSUAU-KRWDZBQOSA-N 2 0 287.407 1.885 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCC2CC[NH+](Cc3ccccc3)CC2)N1 ZINC000262655370 370442868 /nfs/dbraw/zinc/44/28/68/370442868.db2.gz LLDXJDUXDHZDLM-CQSZACIVSA-N 2 0 286.423 1.836 20 30 CDEDRP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1=O ZINC000420331422 376328335 /nfs/dbraw/zinc/32/83/35/376328335.db2.gz QTMVSCWFVNXRSV-ZNMIVQPWSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CCNC(=O)[C@H](C)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246509872 376928300 /nfs/dbraw/zinc/92/83/00/376928300.db2.gz IEQPLBRPJWFKFI-OFQRWUPVSA-N 2 0 291.439 1.626 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000417532285 377889677 /nfs/dbraw/zinc/88/96/77/377889677.db2.gz FBODJSLZDKCAHQ-AWEZNQCLSA-N 2 0 282.432 1.309 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](C)[C@@H](C)[NH3+])C(C)C ZINC000192097252 378184702 /nfs/dbraw/zinc/18/47/02/378184702.db2.gz WHGGREOOTNEVHQ-RBSFLKMASA-N 2 0 281.444 1.785 20 30 CDEDRP Cc1cc(CNC[C@](C)(O)C[NH+](C)C)ccc1C#N ZINC000444002231 250071933 /nfs/dbraw/zinc/07/19/33/250071933.db2.gz FEDGYAXHRBGYOB-HNNXBMFYSA-N 2 0 261.369 1.269 20 30 CDEDRP C[NH+](C)CCNC(=O)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000339034478 391244190 /nfs/dbraw/zinc/24/41/90/391244190.db2.gz SVSJPMDWTKRZHB-DZGCQCFKSA-N 2 0 292.427 1.068 20 30 CDEDRP C[NH+](C)CCNC(=O)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000339034481 391244376 /nfs/dbraw/zinc/24/43/76/391244376.db2.gz SVSJPMDWTKRZHB-ZFWWWQNUSA-N 2 0 292.427 1.068 20 30 CDEDRP C=CCOCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000339059539 391247948 /nfs/dbraw/zinc/24/79/48/391247948.db2.gz LRCVJRJTCPPLCN-JKSUJKDBSA-N 2 0 281.444 1.147 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCC#N ZINC000360154179 391643417 /nfs/dbraw/zinc/64/34/17/391643417.db2.gz GRWUXGVKXRHZBG-OAHLLOKOSA-N 2 0 294.443 1.555 20 30 CDEDRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442712026 391732543 /nfs/dbraw/zinc/73/25/43/391732543.db2.gz FYZOATYEWHXFMB-LSDHHAIUSA-N 2 0 264.417 1.296 20 30 CDEDRP COc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1C#N ZINC000261571431 140350944 /nfs/dbraw/zinc/35/09/44/140350944.db2.gz RAYKYRQRITWGTN-SMDDNHRTSA-N 2 0 259.353 1.736 20 30 CDEDRP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1C#N ZINC000261573610 140351960 /nfs/dbraw/zinc/35/19/60/140351960.db2.gz VSWKCAGDGYQUCM-DGCLKSJQSA-N 2 0 259.353 1.736 20 30 CDEDRP C=CC[C@H]1CCCN(C(=O)[C@H](N)CC[NH+](C)C)C1 ZINC000662631649 413227338 /nfs/dbraw/zinc/22/73/38/413227338.db2.gz WZIVLIDENCGGCW-QWHCGFSZSA-N 2 0 253.390 1.080 20 30 CDEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000490594032 261165001 /nfs/dbraw/zinc/16/50/01/261165001.db2.gz KLNNVNGFXZVNES-AWEZNQCLSA-N 2 0 279.428 1.178 20 30 CDEDRP C[NH+](C)CCCN(CCC#N)C(=O)c1ccc2c[nH+]cn2c1 ZINC000284038097 263085419 /nfs/dbraw/zinc/08/54/19/263085419.db2.gz SRRSWWKDLCOWIP-UHFFFAOYSA-N 2 0 299.378 1.642 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000305054534 267862327 /nfs/dbraw/zinc/86/23/27/267862327.db2.gz DSVOAWBLYMXPHX-HNNXBMFYSA-N 2 0 254.418 1.977 20 30 CDEDRP CN1CC[NH+](CCCC[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000078926498 279235975 /nfs/dbraw/zinc/23/59/75/279235975.db2.gz UZTPTMBBGIMABQ-UHFFFAOYSA-N 2 0 286.423 1.675 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(C#N)cc1 ZINC000103211559 279294099 /nfs/dbraw/zinc/29/40/99/279294099.db2.gz KGRPBQYHGDMVGT-UHFFFAOYSA-N 2 0 288.395 1.124 20 30 CDEDRP C[NH+]=C(NCc1ccn(C)c1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262018987 328143764 /nfs/dbraw/zinc/14/37/64/328143764.db2.gz YJWZCUAQYLFNEM-SWLSCSKDSA-N 2 0 289.427 1.173 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@](C)(OC)C1(C)C ZINC000262528080 330019739 /nfs/dbraw/zinc/01/97/39/330019739.db2.gz MAOVGKFQBSKHAA-DVOMOZLQSA-N 2 0 296.459 1.579 20 30 CDEDRP C#CCNC(NC[C@H](C)[N@@H+]1CCCC[C@H]1C)=[NH+]CC ZINC000262636249 330023745 /nfs/dbraw/zinc/02/37/45/330023745.db2.gz ZXWTVNZULQLCQH-KGLIPLIRSA-N 2 0 264.417 1.438 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CC(F)(F)C1 ZINC000262710739 330028333 /nfs/dbraw/zinc/02/83/33/330028333.db2.gz PJABWLOAKLERNX-LLVKDONJSA-N 2 0 274.359 1.420 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC=CO1 ZINC000262762825 330029984 /nfs/dbraw/zinc/02/99/84/330029984.db2.gz FZYDYZXHMVAFHK-STQMWFEESA-N 2 0 266.389 1.068 20 30 CDEDRP CN(C)C(NCc1ccccc1)=[NH+]CC1=CC[N@H+](C)CC1 ZINC000263151720 330046049 /nfs/dbraw/zinc/04/60/49/330046049.db2.gz MBRZWWSHPCDCGU-UHFFFAOYSA-N 2 0 286.423 1.956 20 30 CDEDRP C=C(CC)C[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423163354 330173942 /nfs/dbraw/zinc/17/39/42/330173942.db2.gz QXMOIPYTIYKSFC-CYBMUJFWSA-N 2 0 268.401 1.864 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000423367901 330194652 /nfs/dbraw/zinc/19/46/52/330194652.db2.gz ATRVZQNTPSPIBA-OCCSQVGLSA-N 2 0 265.401 1.141 20 30 CDEDRP CC[NH2+]Cc1cccc(NC(=O)[C@H]([NH3+])CCCC#N)c1 ZINC000424056890 330218440 /nfs/dbraw/zinc/21/84/40/330218440.db2.gz IQGSJNOYDLIPGE-CQSZACIVSA-N 2 0 274.368 1.756 20 30 CDEDRP C[N@H+](CCCNC(=O)[C@H]([NH3+])CCCC#N)C1CCCCC1 ZINC000424133865 330266427 /nfs/dbraw/zinc/26/64/27/330266427.db2.gz MVEOZKDHJFLOAF-OAHLLOKOSA-N 2 0 294.443 1.778 20 30 CDEDRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424150991 330297017 /nfs/dbraw/zinc/29/70/17/330297017.db2.gz GWTPPZAJLWDHIE-HZSPNIEDSA-N 2 0 280.416 1.387 20 30 CDEDRP C[C@@H]1CCC[C@@](CNC(=O)[C@@H]([NH3+])CCCC#N)([NH+](C)C)C1 ZINC000424164194 330308262 /nfs/dbraw/zinc/30/82/62/330308262.db2.gz YMADJSPKQRKGNG-IJEWVQPXSA-N 2 0 294.443 1.634 20 30 CDEDRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424191273 330323530 /nfs/dbraw/zinc/32/35/30/330323530.db2.gz HCEDZXGDKHBGCJ-ZIAGYGMSSA-N 2 0 292.427 1.244 20 30 CDEDRP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424194216 330324316 /nfs/dbraw/zinc/32/43/16/330324316.db2.gz RYZNYYDRKALCCJ-HNNXBMFYSA-N 2 0 294.443 1.730 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000490590344 332093747 /nfs/dbraw/zinc/09/37/47/332093747.db2.gz QSROJDROBFIOKB-HOTGVXAUSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000490604077 332094717 /nfs/dbraw/zinc/09/47/17/332094717.db2.gz HKQVSNJTPOIULT-AWEZNQCLSA-N 2 0 279.428 1.177 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(CCC)CC[NH+](C)C)CC1 ZINC000490678909 332102965 /nfs/dbraw/zinc/10/29/65/332102965.db2.gz PGIVJLUPUHIUIA-UHFFFAOYSA-N 2 0 279.428 1.132 20 30 CDEDRP C#CCNC(=O)CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000491202437 332164922 /nfs/dbraw/zinc/16/49/22/332164922.db2.gz OFYUFBHOUONCGC-UHFFFAOYSA-N 2 0 279.428 1.178 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000575733600 335110188 /nfs/dbraw/zinc/11/01/88/335110188.db2.gz GWTCEOLNJPAJOK-CQSZACIVSA-N 2 0 294.443 1.407 20 30 CDEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]CC(C)(C)CCC#N ZINC000174367923 335153359 /nfs/dbraw/zinc/15/33/59/335153359.db2.gz QKYBGJLXGIMJIT-AWEZNQCLSA-N 2 0 266.433 1.542 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001112009520 1159522723 /nfs/dbraw/zinc/52/27/23/1159522723.db2.gz HBMVTIHTTGRPBS-RDJZCZTQSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001752811850 1160494303 /nfs/dbraw/zinc/49/43/03/1160494303.db2.gz DTEIXQZCIUVPTD-HZPDHXFCSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000669465039 483173149 /nfs/dbraw/zinc/17/31/49/483173149.db2.gz JXNOAYXZOLPPGY-HNNXBMFYSA-N 2 0 294.443 1.468 20 30 CDEDRP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001714100118 1178972297 /nfs/dbraw/zinc/97/22/97/1178972297.db2.gz UWJDKSSTLFRAOI-KBPBESRZSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001113346124 1162158556 /nfs/dbraw/zinc/15/85/56/1162158556.db2.gz QASYZMMHWUFYCG-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1C#N ZINC000235007506 522402889 /nfs/dbraw/zinc/40/28/89/522402889.db2.gz VSWKCAGDGYQUCM-WCQYABFASA-N 2 0 259.353 1.736 20 30 CDEDRP CN(CCC#N)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000770393466 575444884 /nfs/dbraw/zinc/44/48/84/575444884.db2.gz CZMVNCXVSNSVOT-IYBDPMFKSA-N 2 0 284.407 1.688 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000763920490 576765239 /nfs/dbraw/zinc/76/52/39/576765239.db2.gz ASWZRTBGFDXQHM-OAHLLOKOSA-N 2 0 275.396 1.523 20 30 CDEDRP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000981991452 613141136 /nfs/dbraw/zinc/14/11/36/613141136.db2.gz HWYSSMWATGZPFO-OAHLLOKOSA-N 2 0 291.439 1.130 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC000947496610 613224106 /nfs/dbraw/zinc/22/41/06/613224106.db2.gz CDUDGWGZUDBAGY-LSDHHAIUSA-N 2 0 289.423 1.217 20 30 CDEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC000970365864 613248913 /nfs/dbraw/zinc/24/89/13/613248913.db2.gz GZHJOGDHDLZUIV-AWEZNQCLSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000969652380 613299477 /nfs/dbraw/zinc/29/94/77/613299477.db2.gz FCZVEJOBFIMERK-GDBMZVCRSA-N 2 0 293.455 1.872 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000948245331 613314264 /nfs/dbraw/zinc/31/42/64/613314264.db2.gz OWFPFQXMEDMOHL-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000961778095 613344339 /nfs/dbraw/zinc/34/43/39/613344339.db2.gz KASZXKMEYKXAAN-FOLVSLTJSA-N 2 0 291.439 1.341 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000968703350 613385405 /nfs/dbraw/zinc/38/54/05/613385405.db2.gz YMGLNSGVQBYXNT-KGLIPLIRSA-N 2 0 297.830 1.271 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000957325695 613505792 /nfs/dbraw/zinc/50/57/92/613505792.db2.gz UEVXPWDPHXMURQ-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000969791472 613537179 /nfs/dbraw/zinc/53/71/79/613537179.db2.gz DLIOGAXVJZQSGY-GOEBONIOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971792969 613632856 /nfs/dbraw/zinc/63/28/56/613632856.db2.gz AGNVCAJDPZOIEB-UONOGXRCSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942598240 613781056 /nfs/dbraw/zinc/78/10/56/613781056.db2.gz UOANILKJXOMGGF-ZFWWWQNUSA-N 2 0 279.428 1.341 20 30 CDEDRP C[C@@H](O)CN(C)[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841651396 617422174 /nfs/dbraw/zinc/42/21/74/617422174.db2.gz SGKQXTQVABFQPE-CQSZACIVSA-N 2 0 290.411 1.085 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000970334409 613863548 /nfs/dbraw/zinc/86/35/48/613863548.db2.gz JEONCUVFOZQRMV-CQSZACIVSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000981333689 613871591 /nfs/dbraw/zinc/87/15/91/613871591.db2.gz DLMHYHTWCBJFMJ-LSDHHAIUSA-N 2 0 293.455 1.921 20 30 CDEDRP CC(C)CCNC(=[NH2+])NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000104159690 617696322 /nfs/dbraw/zinc/69/63/22/617696322.db2.gz IGIPSTYSGQHMHY-OKILXGFUSA-N 2 0 284.448 1.436 20 30 CDEDRP C#CCOCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000851925744 617726877 /nfs/dbraw/zinc/72/68/77/617726877.db2.gz AAFHMMSLGVFHFB-GJZGRUSLSA-N 2 0 264.413 1.879 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000820445398 618535050 /nfs/dbraw/zinc/53/50/50/618535050.db2.gz DLUJWSPUXJYKFR-UHFFFAOYSA-N 2 0 267.417 1.530 20 30 CDEDRP C=CCN1CC[C@@H]([N@H+](C)Cc2cccc3c2CC[NH2+]C3)C1=O ZINC000903912211 626145088 /nfs/dbraw/zinc/14/50/88/626145088.db2.gz BNSBEKCMGVGDGD-QGZVFWFLSA-N 2 0 299.418 1.551 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000913522648 630528624 /nfs/dbraw/zinc/52/86/24/630528624.db2.gz RYABOGGAMHRUDJ-QGZVFWFLSA-N 2 0 299.418 1.190 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000157396056 630597836 /nfs/dbraw/zinc/59/78/36/630597836.db2.gz UETIOJVPPLVFCT-HNNXBMFYSA-N 2 0 298.475 1.685 20 30 CDEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001114041032 1162410416 /nfs/dbraw/zinc/41/04/16/1162410416.db2.gz FKMRTWNZLMBTCH-BARDWOONSA-N 2 0 277.412 1.093 20 30 CDEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001114304254 1162469570 /nfs/dbraw/zinc/46/95/70/1162469570.db2.gz NJYNEAKHWMWEEK-SUJAAXHWSA-N 2 0 291.439 1.339 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)C(C)(C)n1cnc(C)c1 ZINC001130165153 1162560658 /nfs/dbraw/zinc/56/06/58/1162560658.db2.gz PYKFMUSNIHVRAA-UHFFFAOYSA-N 2 0 264.373 1.209 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130166834 1162563127 /nfs/dbraw/zinc/56/31/27/1162563127.db2.gz KVZFFNIWCUYPMG-UHFFFAOYSA-N 2 0 285.819 1.321 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130297217 1162597482 /nfs/dbraw/zinc/59/74/82/1162597482.db2.gz IZPZDXIMIPBRDH-KBPBESRZSA-N 2 0 267.417 1.531 20 30 CDEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132519509 1163337147 /nfs/dbraw/zinc/33/71/47/1163337147.db2.gz ZXWTZDMKZSXANK-GJZGRUSLSA-N 2 0 279.428 1.319 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001153653833 1164813533 /nfs/dbraw/zinc/81/35/33/1164813533.db2.gz HLXYVJBIINAKEB-ZIAGYGMSSA-N 2 0 285.407 1.126 20 30 CDEDRP C=CC[C@]1(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)CCC[NH2+]1 ZINC001574893053 1171040699 /nfs/dbraw/zinc/04/06/99/1171040699.db2.gz NXJNGXSRBAXJKR-HEHGZKQESA-N 2 0 279.428 1.530 20 30 CDEDRP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001691965090 1175659955 /nfs/dbraw/zinc/65/99/55/1175659955.db2.gz JHVHQYFHULDGHU-CVEARBPZSA-N 2 0 293.455 1.376 20 30 CDEDRP C#CC[NH+]1CCC(C2(NC(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001725798028 1182134842 /nfs/dbraw/zinc/13/48/42/1182134842.db2.gz URVOYBZNAGPVRM-HNNXBMFYSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+]CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001753247408 1182248663 /nfs/dbraw/zinc/24/86/63/1182248663.db2.gz ASBGIBDAWILZNK-UHFFFAOYSA-N 2 0 267.417 1.341 20 30 CDEDRP C=CC[NH2+]C[C@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001732251292 1182883334 /nfs/dbraw/zinc/88/33/34/1182883334.db2.gz LCFHTPBWHJBWPF-HIFRSBDPSA-N 2 0 267.417 1.387 20 30 CDEDRP C#CCC[N@H+](CC)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001753091156 1185053672 /nfs/dbraw/zinc/05/36/72/1185053672.db2.gz KIYBJBPCEVPFIB-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001753794056 1185337119 /nfs/dbraw/zinc/33/71/19/1185337119.db2.gz JXIQMVHMJOJOOZ-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001753844336 1185354658 /nfs/dbraw/zinc/35/46/58/1185354658.db2.gz ZUMBYJFHHFQICU-ZIAGYGMSSA-N 2 0 267.417 1.245 20 30 CDEDRP C=CCCC[NH+]1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001754580564 1185673901 /nfs/dbraw/zinc/67/39/01/1185673901.db2.gz DXFUZFCPLLUFES-UHFFFAOYSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CCC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001755123959 1185824315 /nfs/dbraw/zinc/82/43/15/1185824315.db2.gz WTDFBFMWGDZUOT-GJZGRUSLSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001755242693 1185872510 /nfs/dbraw/zinc/87/25/10/1185872510.db2.gz OPTITSYYFXKXOR-NWDGAFQWSA-N 2 0 284.363 1.372 20 30 CDEDRP C=CC[NH2+]CCC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001755504743 1185973983 /nfs/dbraw/zinc/97/39/83/1185973983.db2.gz BLMYILUNBDZNGV-AWEZNQCLSA-N 2 0 279.428 1.675 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001755661730 1186027909 /nfs/dbraw/zinc/02/79/09/1186027909.db2.gz QBZGCWPNHLLAGX-UONOGXRCSA-N 2 0 267.417 1.483 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091544172 1164267099 /nfs/dbraw/zinc/26/70/99/1164267099.db2.gz WAMLRVBMBNJBAL-INMHGKMJSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000999348393 730429627 /nfs/dbraw/zinc/42/96/27/730429627.db2.gz OCSSQMSBRGSXCF-JKSUJKDBSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC)C2)CC1 ZINC000995231601 730431624 /nfs/dbraw/zinc/43/16/24/730431624.db2.gz NJEGBQQFLNILQW-GOEBONIOSA-N 2 0 291.439 1.226 20 30 CDEDRP C[NH+]1CCC(CCNC(=[NH2+])N2CCSCC2)CC1 ZINC000303900691 730442749 /nfs/dbraw/zinc/44/27/49/730442749.db2.gz WWKJTFBMXCBFKW-UHFFFAOYSA-N 2 0 270.446 1.082 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033534192 730458830 /nfs/dbraw/zinc/45/88/30/730458830.db2.gz KINKKQCVYGBKRR-HNNXBMFYSA-N 2 0 279.428 1.437 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C ZINC000303774860 730462516 /nfs/dbraw/zinc/46/25/16/730462516.db2.gz GFPDJEWWBTXZCM-LSDHHAIUSA-N 3 0 297.491 1.351 20 30 CDEDRP C[NH+]=C(NCC(C)(C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261970977 730469308 /nfs/dbraw/zinc/46/93/08/730469308.db2.gz MVWLHZLBYNQZAT-WCQYABFASA-N 2 0 266.433 1.680 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001036896179 730476508 /nfs/dbraw/zinc/47/65/08/730476508.db2.gz KYIVVWCZWYDJMX-CVEARBPZSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001073430875 730573206 /nfs/dbraw/zinc/57/32/06/730573206.db2.gz MUZLTIMNBGXMOD-UHFFFAOYSA-N 2 0 277.412 1.193 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001022712823 730634927 /nfs/dbraw/zinc/63/49/27/730634927.db2.gz APYPPARTUZCILN-DVOMOZLQSA-N 2 0 295.402 1.069 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001044680600 730654881 /nfs/dbraw/zinc/65/48/81/730654881.db2.gz GLLNQZXTDNKSBV-HIFRSBDPSA-N 2 0 296.374 1.550 20 30 CDEDRP CC(C)NC(=[NH2+])NCCCCC[NH+]1CCCCC1 ZINC000304750789 730657429 /nfs/dbraw/zinc/65/74/29/730657429.db2.gz IRKAWXAPNIOHES-UHFFFAOYSA-N 2 0 254.422 1.955 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001044859022 730680587 /nfs/dbraw/zinc/68/05/87/730680587.db2.gz YWTPYSQVWVAQMI-KGLIPLIRSA-N 2 0 299.846 1.804 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001052716882 730727880 /nfs/dbraw/zinc/72/78/80/730727880.db2.gz QFPGZZISAJGKBT-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886033959 730751895 /nfs/dbraw/zinc/75/18/95/730751895.db2.gz ZVCYJJQVZIHBQE-CABCVRRESA-N 2 0 279.428 1.705 20 30 CDEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000304764665 730887487 /nfs/dbraw/zinc/88/74/87/730887487.db2.gz YIPRXLNLLHVSAR-ZIAGYGMSSA-N 2 0 266.433 1.907 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071995842 730955252 /nfs/dbraw/zinc/95/52/52/730955252.db2.gz NZWQZCPVKZDSAK-GJZGRUSLSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001022957424 730979918 /nfs/dbraw/zinc/97/99/18/730979918.db2.gz XNIGDTGZQBYGSX-OWCLPIDISA-N 2 0 291.439 1.511 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001054790099 731000846 /nfs/dbraw/zinc/00/08/46/731000846.db2.gz IIQXEZFLIIIFFU-CABCVRRESA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001027971597 731011734 /nfs/dbraw/zinc/01/17/34/731011734.db2.gz HYTTVOFYQIXYMW-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034037716 731017532 /nfs/dbraw/zinc/01/75/32/731017532.db2.gz DVOLKHYIVVIMAD-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001001447571 731041164 /nfs/dbraw/zinc/04/11/64/731041164.db2.gz CKXYDIKABSNCGG-OAHLLOKOSA-N 2 0 277.412 1.263 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001074684280 731046789 /nfs/dbraw/zinc/04/67/89/731046789.db2.gz JXBMAICXQBCRAC-XHSDSOJGSA-N 2 0 293.455 1.729 20 30 CDEDRP CCCCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCCCC1 ZINC000303884392 731048475 /nfs/dbraw/zinc/04/84/75/731048475.db2.gz MSPUHASCOPERQU-CYBMUJFWSA-N 2 0 254.422 1.813 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000987291363 731235662 /nfs/dbraw/zinc/23/56/62/731235662.db2.gz ITJFOGBCAUZWIE-GDBMZVCRSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996249536 731288783 /nfs/dbraw/zinc/28/87/83/731288783.db2.gz PTXFHKNLMXNZAB-AWEZNQCLSA-N 2 0 279.428 1.341 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001074939558 731290652 /nfs/dbraw/zinc/29/06/52/731290652.db2.gz GATDRQDAZDHZHU-JYJNAYRXSA-N 2 0 291.439 1.463 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996609979 731306065 /nfs/dbraw/zinc/30/60/65/731306065.db2.gz IVMAVCOGSRAEGI-OLZOCXBDSA-N 2 0 299.846 1.517 20 30 CDEDRP CC(=NNC1=[NH+][C@@H](C)CN1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779787009 731336381 /nfs/dbraw/zinc/33/63/81/731336381.db2.gz SYQBAXDFMOFTHN-XJKSGUPXSA-N 2 0 299.422 1.822 20 30 CDEDRP C[NH+]1CCC(CCNC(=[NH2+])NCC2CCC2)CC1 ZINC000303868734 731360749 /nfs/dbraw/zinc/36/07/49/731360749.db2.gz DMFYXMOOVPICJS-UHFFFAOYSA-N 2 0 252.406 1.423 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000849025539 731375949 /nfs/dbraw/zinc/37/59/49/731375949.db2.gz MMLDVFMWYGWHEF-ILXRZTDVSA-N 2 0 294.443 1.566 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001052499111 731388161 /nfs/dbraw/zinc/38/81/61/731388161.db2.gz NYKJIRFADIPPRP-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP CCN(CC)C(=[NH2+])NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000303771194 731399706 /nfs/dbraw/zinc/39/97/06/731399706.db2.gz CMOBNVBCVPSUJQ-CHWSQXEVSA-N 2 0 270.421 1.142 20 30 CDEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001050566043 731399870 /nfs/dbraw/zinc/39/98/70/731399870.db2.gz MLSFKXIRAIDGEL-HNNXBMFYSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC001041715257 731461198 /nfs/dbraw/zinc/46/11/98/731461198.db2.gz ULCACJYOKVEQFO-MRXNPFEDSA-N 2 0 288.395 1.453 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001014508556 731473715 /nfs/dbraw/zinc/47/37/15/731473715.db2.gz OTDZBGBJEKJNKL-HZSPNIEDSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001036131236 731525312 /nfs/dbraw/zinc/52/53/12/731525312.db2.gz KCSYODKXKKNGPQ-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cn2ccnc2)[C@@H]1C ZINC000994502231 731650331 /nfs/dbraw/zinc/65/03/31/731650331.db2.gz CTSFLGGCBPGQIF-LSDHHAIUSA-N 2 0 290.411 1.818 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCC[C@H]1C ZINC001032626797 731658894 /nfs/dbraw/zinc/65/88/94/731658894.db2.gz KYTVBAANKNEOHX-ILXRZTDVSA-N 2 0 277.412 1.332 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC000996665378 731710792 /nfs/dbraw/zinc/71/07/92/731710792.db2.gz BTMCOBOXIZXYAS-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046487128 731727114 /nfs/dbraw/zinc/72/71/14/731727114.db2.gz OWCYAGFBXUOWQO-KRWDZBQOSA-N 2 0 296.374 1.552 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999870814 731738521 /nfs/dbraw/zinc/73/85/21/731738521.db2.gz HRBKEXNKEHARCA-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001031729089 731804527 /nfs/dbraw/zinc/80/45/27/731804527.db2.gz AQBJUKAOUUGEHH-MRXNPFEDSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001048816994 731881071 /nfs/dbraw/zinc/88/10/71/731881071.db2.gz GRKBMGGGYTYVPA-OWCLPIDISA-N 2 0 291.439 1.435 20 30 CDEDRP COc1cccc(NC(=[NH2+])NCCC[NH+](C)C)c1 ZINC000303691692 731883302 /nfs/dbraw/zinc/88/33/02/731883302.db2.gz ATKSPVQOBVFZPG-UHFFFAOYSA-N 2 0 250.346 1.374 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001003968634 731905566 /nfs/dbraw/zinc/90/55/66/731905566.db2.gz SBRHRRJPWOHXFB-GOEBONIOSA-N 2 0 293.455 1.873 20 30 CDEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=[NH2+])N(C)C)C1 ZINC000170903816 731920249 /nfs/dbraw/zinc/92/02/49/731920249.db2.gz TZZZFKFTOSCVRU-CHWSQXEVSA-N 2 0 254.422 1.621 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996463528 731991323 /nfs/dbraw/zinc/99/13/23/731991323.db2.gz HLJFRJZJYNCOQC-HNNXBMFYSA-N 2 0 277.412 1.073 20 30 CDEDRP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001052713540 732005408 /nfs/dbraw/zinc/00/54/08/732005408.db2.gz ZQFWSBCRZDNAEJ-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027892298 732159787 /nfs/dbraw/zinc/15/97/87/732159787.db2.gz SECGDGUMHACREG-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)Cc2ncc[nH]2)CC1 ZINC001003844912 732169167 /nfs/dbraw/zinc/16/91/67/732169167.db2.gz HVUKUQLEDKQIQY-UHFFFAOYSA-N 2 0 276.384 1.499 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000830168385 732197904 /nfs/dbraw/zinc/19/79/04/732197904.db2.gz KFAXFKHNRIKVTO-OAHLLOKOSA-N 2 0 277.412 1.073 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001075813757 732217501 /nfs/dbraw/zinc/21/75/01/732217501.db2.gz XTOZKPCTBGTSID-CAOSSQGBSA-N 2 0 291.439 1.435 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028539202 732231307 /nfs/dbraw/zinc/23/13/07/732231307.db2.gz QMBRCJDUMIYCQX-GDBMZVCRSA-N 2 0 291.439 1.342 20 30 CDEDRP C#CCC[NH+]1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001006294076 732248370 /nfs/dbraw/zinc/24/83/70/732248370.db2.gz JXKPIQNINWZMEX-OAHLLOKOSA-N 2 0 291.439 1.274 20 30 CDEDRP CCCCCCNC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000303882634 732290564 /nfs/dbraw/zinc/29/05/64/732290564.db2.gz LRQUBNKVBLZFQG-UHFFFAOYSA-N 2 0 254.422 1.813 20 30 CDEDRP C#CCN1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001009642888 732542606 /nfs/dbraw/zinc/54/26/06/732542606.db2.gz LRKKQPQUSJINCA-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995825904 732552843 /nfs/dbraw/zinc/55/28/43/732552843.db2.gz UDNOFTIKCUFITI-GJZGRUSLSA-N 2 0 291.439 1.341 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001018938238 732564889 /nfs/dbraw/zinc/56/48/89/732564889.db2.gz FGMCNHDYQMCXFS-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000985499603 732794500 /nfs/dbraw/zinc/79/45/00/732794500.db2.gz VTADTGXQQDSGAC-INIZCTEOSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000870883406 732855719 /nfs/dbraw/zinc/85/57/19/732855719.db2.gz VPHGJIFYXAGDSL-JOCQHMNTSA-N 2 0 265.401 1.271 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995917486 732870365 /nfs/dbraw/zinc/87/03/65/732870365.db2.gz VELGFBDTRICRTR-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000987252300 732998463 /nfs/dbraw/zinc/99/84/63/732998463.db2.gz FDNCJAXZPRIZLJ-HUUCEWRRSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001794655 733023234 /nfs/dbraw/zinc/02/32/34/733023234.db2.gz KFHNMPKRJBRWLL-UHFFFAOYSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001016544211 733037245 /nfs/dbraw/zinc/03/72/45/733037245.db2.gz UUJQFLRFNWLGEB-CABCVRRESA-N 2 0 289.423 1.075 20 30 CDEDRP CC[NH+](CC)[C@@H](CNC(=[NH2+])N[C@@H](C)COC)CC(C)C ZINC000303773746 733067483 /nfs/dbraw/zinc/06/74/83/733067483.db2.gz FKFGFGBTRCUZMT-UONOGXRCSA-N 2 0 286.464 1.682 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001027434020 733069012 /nfs/dbraw/zinc/06/90/12/733069012.db2.gz IGIUKLYPNSGYNG-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@H]1CCCC[N@@H+]1CC ZINC000304765935 733083172 /nfs/dbraw/zinc/08/31/72/733083172.db2.gz ZZNZZNZBBVQGIK-CYBMUJFWSA-N 2 0 270.421 1.192 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001076253423 733093363 /nfs/dbraw/zinc/09/33/63/733093363.db2.gz KIHFHHMBUOYWGH-SOUVJXGZSA-N 2 0 279.428 1.435 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127316966 913814525 /nfs/dbraw/zinc/81/45/25/913814525.db2.gz GDRPTITZDAFACY-UHFFFAOYSA-N 2 0 287.835 1.709 20 30 CDEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266352643 894518122 /nfs/dbraw/zinc/51/81/22/894518122.db2.gz FHJMYNZSMYBTEN-LSDHHAIUSA-N 2 0 281.444 1.729 20 30 CDEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176164670 913989022 /nfs/dbraw/zinc/98/90/22/913989022.db2.gz CZHXARRFZOQAAN-HUUCEWRRSA-N 2 0 281.444 1.779 20 30 CDEDRP C[NH+]=C(NC[C@H]1CCCS1)NCC1([NH+](C)C)CCCC1 ZINC000261986507 896439890 /nfs/dbraw/zinc/43/98/90/896439890.db2.gz QFFKVOQZMRDDHF-CYBMUJFWSA-N 2 0 298.500 1.921 20 30 CDEDRP C[NH+](C)CCn1cc(N=C(NO)c2ccccc2N)cn1 ZINC001176449747 914116735 /nfs/dbraw/zinc/11/67/35/914116735.db2.gz RCYKZLKLGBNGCH-UHFFFAOYSA-N 2 0 288.355 1.084 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001022880259 897093647 /nfs/dbraw/zinc/09/36/47/897093647.db2.gz PBBKPMNBBZGBJL-OKILXGFUSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CCn1cc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cn1 ZINC001176546060 914160108 /nfs/dbraw/zinc/16/01/08/914160108.db2.gz MZRWXVKOKNJKAJ-UHFFFAOYSA-N 2 0 298.394 1.960 20 30 CDEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001104690488 898889671 /nfs/dbraw/zinc/88/96/71/898889671.db2.gz GIANHOCDVRXYDL-OAGGEKHMSA-N 2 0 295.471 1.977 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267777389 899700199 /nfs/dbraw/zinc/70/01/99/899700199.db2.gz QOKPICPJGSIITG-ZIAGYGMSSA-N 2 0 267.417 1.435 20 30 CDEDRP C=CCc1cc(C)cnc1NC(=[NH2+])NCCCC[NH3+] ZINC001167877374 901592144 /nfs/dbraw/zinc/59/21/44/901592144.db2.gz CAVXELMASBKJNY-UHFFFAOYSA-N 2 0 261.373 1.794 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC000986352522 907472743 /nfs/dbraw/zinc/47/27/43/907472743.db2.gz HJJGZLFVKONQBD-HIFRSBDPSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000986564830 907523870 /nfs/dbraw/zinc/52/38/70/907523870.db2.gz FSINUXFZVIGBRN-IUODEOHRSA-N 2 0 284.363 1.713 20 30 CDEDRP C=CCOC(=O)N1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168329180 909060452 /nfs/dbraw/zinc/06/04/52/909060452.db2.gz OUJINYFAAQLLNT-UHFFFAOYSA-N 2 0 295.427 1.799 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@]23CC[NH+](C2)CCC3)[C@H](C)C1 ZINC001093162340 909674505 /nfs/dbraw/zinc/67/45/05/909674505.db2.gz GGFYKCKKOLLDDA-INMHGKMJSA-N 2 0 291.439 1.342 20 30 CDEDRP CC[NH+](CC)CCN(CC[NH3+])[C@H](C)CCCC#N ZINC001172486454 911691782 /nfs/dbraw/zinc/69/17/82/911691782.db2.gz BUQHZJDWBGDXQN-CQSZACIVSA-N 2 0 254.422 1.671 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])N[C@H](C)CCCC#N ZINC001172493125 911730004 /nfs/dbraw/zinc/73/00/04/911730004.db2.gz WTYBIBTURLJKTJ-GFCCVEGCSA-N 2 0 253.394 1.525 20 30 CDEDRP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1CC[NH2+]CC1 ZINC001273031376 921692601 /nfs/dbraw/zinc/69/26/01/921692601.db2.gz WFEGWOKDLRUZSL-HUUCEWRRSA-N 2 0 277.412 1.237 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033079915 921703681 /nfs/dbraw/zinc/70/36/81/921703681.db2.gz ADQIMHBYDBUIAS-JKSUJKDBSA-N 2 0 291.439 1.437 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001178045473 915124130 /nfs/dbraw/zinc/12/41/30/915124130.db2.gz MHNXETKGOQGPST-HNNXBMFYSA-N 2 0 279.428 1.370 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001106906116 915287535 /nfs/dbraw/zinc/28/75/35/915287535.db2.gz XYBWIFQXPDXGND-ZIAGYGMSSA-N 2 0 267.417 1.198 20 30 CDEDRP C[NH+]=C(NCC1CCN(c2cc[nH+]cc2)CC1)NC1CC1 ZINC000179712587 915293376 /nfs/dbraw/zinc/29/33/76/915293376.db2.gz HUUOZLZNEMLFMK-UHFFFAOYSA-N 2 0 287.411 1.625 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1C ZINC001178813430 915637282 /nfs/dbraw/zinc/63/72/82/915637282.db2.gz HAQHWQAALVQJHA-KKUMJFAQSA-N 2 0 299.434 1.821 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001179554155 915884779 /nfs/dbraw/zinc/88/47/79/915884779.db2.gz RWFLVBIGAFOMAO-IHRRRGAJSA-N 2 0 267.417 1.482 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001179586411 915888869 /nfs/dbraw/zinc/88/88/69/915888869.db2.gz OCZPMAMQUZTQDS-HOTGVXAUSA-N 2 0 293.455 1.474 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001031800637 915915004 /nfs/dbraw/zinc/91/50/04/915915004.db2.gz XJEZKKAIUAUJRU-UHFFFAOYSA-N 2 0 298.390 1.880 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001180065085 916140982 /nfs/dbraw/zinc/14/09/82/916140982.db2.gz HNLDMYJUAZJKMF-MRXNPFEDSA-N 2 0 293.455 1.618 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001180065084 916141793 /nfs/dbraw/zinc/14/17/93/916141793.db2.gz HNLDMYJUAZJKMF-INIZCTEOSA-N 2 0 293.455 1.618 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001107042339 917897171 /nfs/dbraw/zinc/89/71/71/917897171.db2.gz ICXHHYCYUMNTFC-BZUAXINKSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001050669323 936562180 /nfs/dbraw/zinc/56/21/80/936562180.db2.gz WTNXTVIRORBZFD-HNNXBMFYSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185085896 919397568 /nfs/dbraw/zinc/39/75/68/919397568.db2.gz NQPQQSXAHSVOBF-CABCVRRESA-N 2 0 281.444 1.588 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185221215 919485787 /nfs/dbraw/zinc/48/57/87/919485787.db2.gz INOKCPKSWTZDAJ-GFCCVEGCSA-N 2 0 285.819 1.271 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001185448164 919630288 /nfs/dbraw/zinc/63/02/88/919630288.db2.gz WIDMUPOSEXMOMZ-CVEARBPZSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001185535215 919664991 /nfs/dbraw/zinc/66/49/91/919664991.db2.gz BXNKDDMLPVLMNN-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)Cn2ccnc2C)C[C@H]1C ZINC001185689221 919706412 /nfs/dbraw/zinc/70/64/12/919706412.db2.gz BGIIAFWRODRRHG-HIFRSBDPSA-N 2 0 290.411 1.452 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)Cc2ccccc2)C1 ZINC001188361792 921010861 /nfs/dbraw/zinc/01/08/61/921010861.db2.gz SVCMKJQYPPSURI-MRXNPFEDSA-N 2 0 287.407 1.495 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128774378 922405254 /nfs/dbraw/zinc/40/52/54/922405254.db2.gz QTVLBRXEWKONKR-LBPRGKRZSA-N 2 0 273.808 1.319 20 30 CDEDRP C=C(Cl)CN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034524791 922656614 /nfs/dbraw/zinc/65/66/14/922656614.db2.gz HZEPIPQIAIINPB-ZIAGYGMSSA-N 2 0 299.846 1.661 20 30 CDEDRP C#CCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001192342228 923015795 /nfs/dbraw/zinc/01/57/95/923015795.db2.gz AJGRYOIJQJNADF-CABCVRRESA-N 2 0 277.412 1.027 20 30 CDEDRP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001192550733 923124892 /nfs/dbraw/zinc/12/48/92/923124892.db2.gz LAYYVRHDTCOOOY-ZFWWWQNUSA-N 2 0 290.411 1.840 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002338 924010468 /nfs/dbraw/zinc/01/04/68/924010468.db2.gz RHFNXEJYZHJWLN-GJZGRUSLSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CCC[NH+]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001197187780 925067741 /nfs/dbraw/zinc/06/77/41/925067741.db2.gz MDFUKVLPAADRGE-UHFFFAOYSA-N 2 0 293.455 1.522 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@H](c1ccccc1)N(C)C ZINC001152530821 925592881 /nfs/dbraw/zinc/59/28/81/925592881.db2.gz YDXWLVYMFRHXKX-INIZCTEOSA-N 2 0 289.423 1.961 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085200666 925796460 /nfs/dbraw/zinc/79/64/60/925796460.db2.gz VEUGGKUWJJDYGQ-BZUAXINKSA-N 2 0 291.439 1.531 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001200894067 926152348 /nfs/dbraw/zinc/15/23/48/926152348.db2.gz KVYSGODORJESLT-INIZCTEOSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085589646 926195769 /nfs/dbraw/zinc/19/57/69/926195769.db2.gz QEYHHHIOIPCEAP-HZPDHXFCSA-N 2 0 293.455 1.968 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001201238878 926227839 /nfs/dbraw/zinc/22/78/39/926227839.db2.gz DPTDEVHPNPHETJ-OAHLLOKOSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001085674966 926266245 /nfs/dbraw/zinc/26/62/45/926266245.db2.gz IHCHPANCTBTATM-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086175483 926789908 /nfs/dbraw/zinc/78/99/08/926789908.db2.gz YLTWELISOZPCCN-OAGGEKHMSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001086399754 927079081 /nfs/dbraw/zinc/07/90/81/927079081.db2.gz KXKNBDCLJMAUDQ-KLHDSHLOSA-N 2 0 291.439 1.674 20 30 CDEDRP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001108357200 927432727 /nfs/dbraw/zinc/43/27/27/927432727.db2.gz ZWRMWGHPXFXBPY-INIZCTEOSA-N 2 0 297.443 1.111 20 30 CDEDRP C#C[C@@H]1CCC[N@@H+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256699613 937183417 /nfs/dbraw/zinc/18/34/17/937183417.db2.gz ZVDQEAZZIAZMCL-KLAILNCOSA-N 2 0 276.424 1.975 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001110711843 928617059 /nfs/dbraw/zinc/61/70/59/928617059.db2.gz RQVSJVSZQCPXCZ-TUVASFSCSA-N 2 0 277.412 1.071 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109426904 928931633 /nfs/dbraw/zinc/93/16/33/928931633.db2.gz DYTRVGXAOBZCQX-QPSCCSFWSA-N 2 0 279.428 1.480 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001086558393 929413385 /nfs/dbraw/zinc/41/33/85/929413385.db2.gz KPRDLLRFQNXZMN-KOMQPUFPSA-N 2 0 299.418 1.479 20 30 CDEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115144414 937329497 /nfs/dbraw/zinc/32/94/97/937329497.db2.gz WRMBVEGEXMDCGS-FOLVSLTJSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1ncc[nH]1 ZINC001134233813 929659753 /nfs/dbraw/zinc/65/97/53/929659753.db2.gz BFMQAXATFLSHDP-NWDGAFQWSA-N 2 0 264.373 1.401 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135882235 930496488 /nfs/dbraw/zinc/49/64/88/930496488.db2.gz JKAGXTAAAIBCTI-STQMWFEESA-N 2 0 289.851 1.954 20 30 CDEDRP CC(C)(C)c1ccc(C#N)c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001170899257 930697244 /nfs/dbraw/zinc/69/72/44/930697244.db2.gz YXDMAJKAPNUKKF-GFCCVEGCSA-N 2 0 261.373 1.686 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001006403310 930849959 /nfs/dbraw/zinc/84/99/59/930849959.db2.gz FUEUKAVKRYOOMA-UHFFFAOYSA-N 2 0 265.401 1.191 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001153801856 937471677 /nfs/dbraw/zinc/47/16/77/937471677.db2.gz AGZMWQCAWXABLB-HZPDHXFCSA-N 2 0 293.455 1.424 20 30 CDEDRP C=CCCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001274974339 931621508 /nfs/dbraw/zinc/62/15/08/931621508.db2.gz INBIDWAPHSCVTE-CVEARBPZSA-N 2 0 281.444 1.289 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171174508 931799082 /nfs/dbraw/zinc/79/90/82/931799082.db2.gz NEEKUPPGPUOBKX-LSDHHAIUSA-N 2 0 279.428 1.226 20 30 CDEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCC[N@H+](C)CCO ZINC001171201384 931929592 /nfs/dbraw/zinc/92/95/92/931929592.db2.gz LLZHAUKOKVFREO-AWEZNQCLSA-N 2 0 275.396 1.393 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171225935 932036124 /nfs/dbraw/zinc/03/61/24/932036124.db2.gz BQTRAPZHNFHNJD-CABCVRRESA-N 2 0 281.444 1.779 20 30 CDEDRP C#CCCC[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001275976087 932192191 /nfs/dbraw/zinc/19/21/91/932192191.db2.gz ZFAXROCYVNJLOK-UHFFFAOYSA-N 2 0 272.396 1.721 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146338423 932235812 /nfs/dbraw/zinc/23/58/12/932235812.db2.gz GFWMJQIUIHWRNO-KGLIPLIRSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146718597 932288644 /nfs/dbraw/zinc/28/86/44/932288644.db2.gz DSAFKPBHDHOPEB-ZDUSSCGKSA-N 2 0 255.406 1.389 20 30 CDEDRP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001146718443 932289309 /nfs/dbraw/zinc/28/93/09/932289309.db2.gz BKDXRQCPPVZFPM-UHFFFAOYSA-N 2 0 288.395 1.106 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147339708 932473706 /nfs/dbraw/zinc/47/37/06/932473706.db2.gz KYHFOEVWNVZQFA-UHFFFAOYSA-N 2 0 293.455 1.780 20 30 CDEDRP C=CCN1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001014424554 935536294 /nfs/dbraw/zinc/53/62/94/935536294.db2.gz MVCNCXYJABOMLW-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046777003 935974911 /nfs/dbraw/zinc/97/49/11/935974911.db2.gz OQZCHIWFIWZKGP-OAHLLOKOSA-N 2 0 277.412 1.239 20 30 CDEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001096350509 936050079 /nfs/dbraw/zinc/05/00/79/936050079.db2.gz NTNCWGQVQNPOAG-FZKCQIBNSA-N 2 0 291.439 1.626 20 30 CDEDRP C#CC[NH2+]CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC001121926807 937891164 /nfs/dbraw/zinc/89/11/64/937891164.db2.gz SIZCRDSSZIWJDJ-UHFFFAOYSA-N 2 0 277.412 1.123 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC(C[NH+](C)C)CC1 ZINC001121991567 937897298 /nfs/dbraw/zinc/89/72/98/937897298.db2.gz UIXYQVZHWZYZQL-CQSZACIVSA-N 2 0 267.417 1.470 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156383875 938361536 /nfs/dbraw/zinc/36/15/36/938361536.db2.gz RHLZWVAHTYKIIE-CABCVRRESA-N 2 0 279.428 1.178 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109441 938455314 /nfs/dbraw/zinc/45/53/14/938455314.db2.gz NZNBYIALOHNFKL-HZPDHXFCSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)Cn1ccnc1 ZINC001157293896 938475954 /nfs/dbraw/zinc/47/59/54/938475954.db2.gz NNXOMWFPNMGLRA-CQSZACIVSA-N 2 0 278.400 1.676 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001158090294 938582213 /nfs/dbraw/zinc/58/22/13/938582213.db2.gz SXHFQYVBLCOZGV-MRXNPFEDSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158450820 938626966 /nfs/dbraw/zinc/62/69/66/938626966.db2.gz ZHVVWJMPDOWPGX-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158866566 938673157 /nfs/dbraw/zinc/67/31/57/938673157.db2.gz RJSMLXISCVRYKI-HZPDHXFCSA-N 2 0 291.439 1.274 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001161563739 938913296 /nfs/dbraw/zinc/91/32/96/938913296.db2.gz GCDVAWAWKMIXTN-UHFFFAOYSA-N 2 0 284.363 1.376 20 30 CDEDRP C[Si](C)(C)C#C[NH2+][C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163315246 939245834 /nfs/dbraw/zinc/24/58/34/939245834.db2.gz JWOXAPRBFXZZOJ-OLZOCXBDSA-N 2 0 252.434 1.325 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001165627446 939571905 /nfs/dbraw/zinc/57/19/05/939571905.db2.gz JJUZKJLZCWPMOH-HNNXBMFYSA-N 2 0 293.455 1.472 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001166707812 939629789 /nfs/dbraw/zinc/62/97/89/939629789.db2.gz JGLRLLAXUQPVHR-JQWIXIFHSA-N 2 0 273.808 1.033 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001205334309 939882461 /nfs/dbraw/zinc/88/24/61/939882461.db2.gz KDHRLVGBERAHFU-UKRRQHHQSA-N 2 0 279.428 1.341 20 30 CDEDRP Cn1cc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1C#N ZINC001205546041 939900594 /nfs/dbraw/zinc/90/05/94/939900594.db2.gz PLAAXYOWQIZOPG-AWEZNQCLSA-N 2 0 264.348 1.550 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001206950262 940116500 /nfs/dbraw/zinc/11/65/00/940116500.db2.gz ISGJALBDDJWRFZ-UHFFFAOYSA-N 2 0 293.455 1.877 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207617186 940222416 /nfs/dbraw/zinc/22/24/16/940222416.db2.gz PMBFXKMTBMCRIV-BZUAXINKSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001207894197 940258611 /nfs/dbraw/zinc/25/86/11/940258611.db2.gz DAGVLEVSLWSXDC-QGZVFWFLSA-N 2 0 293.455 1.457 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001208424216 940329927 /nfs/dbraw/zinc/32/99/27/940329927.db2.gz WEDOPAWSCFHDLR-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001208424219 940330098 /nfs/dbraw/zinc/33/00/98/940330098.db2.gz WEDOPAWSCFHDLR-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CCCC[N@H+]1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001209262920 940453738 /nfs/dbraw/zinc/45/37/38/940453738.db2.gz COYNFJKEDLTPSM-IAGOWNOFSA-N 2 0 286.423 1.587 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001209659365 940624721 /nfs/dbraw/zinc/62/47/21/940624721.db2.gz CJVZQLQOELFAKK-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001210499186 940694973 /nfs/dbraw/zinc/69/49/73/940694973.db2.gz SRXOZCSNAXIICV-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210673813 940705277 /nfs/dbraw/zinc/70/52/77/940705277.db2.gz IJGNSFCLQOARRE-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211065351 940728064 /nfs/dbraw/zinc/72/80/64/940728064.db2.gz VBIHKOKDIIPSNE-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214969008 940848681 /nfs/dbraw/zinc/84/86/81/940848681.db2.gz HZOAMMMJKYWJFY-OAGGEKHMSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001216500057 940942521 /nfs/dbraw/zinc/94/25/21/940942521.db2.gz XJYGUAJTFWAFST-DGCLKSJQSA-N 2 0 287.835 1.517 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001216511347 940943301 /nfs/dbraw/zinc/94/33/01/940943301.db2.gz OQSMOIRHGZPLIH-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216835962 940968191 /nfs/dbraw/zinc/96/81/91/940968191.db2.gz POKMVQQBXSMEGX-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP N#Cc1c2c(sc1NC(=O)C1CC[NH2+]CC1)C[NH2+]CC2 ZINC001218553596 941235784 /nfs/dbraw/zinc/23/57/84/941235784.db2.gz QKXMTCKKAOTPAE-UHFFFAOYSA-N 2 0 290.392 1.204 20 30 CDEDRP N#CCc1cc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])ccc1F ZINC001219518346 941351926 /nfs/dbraw/zinc/35/19/26/941351926.db2.gz HDRHLELILJUOOY-ZDUSSCGKSA-N 2 0 278.331 1.287 20 30 CDEDRP CCCCCCCC[N@@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001222520335 941607070 /nfs/dbraw/zinc/60/70/70/941607070.db2.gz FYUVSGFUSHDKQE-QGZVFWFLSA-N 2 0 293.455 1.758 20 30 CDEDRP C=CC[NH2+]CCN1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596503 941618456 /nfs/dbraw/zinc/61/84/56/941618456.db2.gz XQGADVAVUAVXDH-MRXNPFEDSA-N 2 0 271.408 1.451 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223392973 941674628 /nfs/dbraw/zinc/67/46/28/941674628.db2.gz GDZCTITXHRAIRK-CVEARBPZSA-N 2 0 291.439 1.274 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001226831028 942081156 /nfs/dbraw/zinc/08/11/56/942081156.db2.gz MCYIXJAENWCXTJ-HZPDHXFCSA-N 2 0 291.439 1.511 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001226932397 942095973 /nfs/dbraw/zinc/09/59/73/942095973.db2.gz KWTHKAOOPSCCTK-KFWWJZLASA-N 2 0 281.444 1.776 20 30 CDEDRP C[NH+]1CCC(O)(C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001474018091 970918533 /nfs/dbraw/zinc/91/85/33/970918533.db2.gz XDTXOWXLOUXBJI-UHFFFAOYSA-N 2 0 265.401 1.505 20 30 CDEDRP C=CC[NH2+]CCN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000382745900 943941979 /nfs/dbraw/zinc/94/19/79/943941979.db2.gz TUNQXRPSBVHIFR-INIZCTEOSA-N 2 0 273.424 1.968 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235395734 944143420 /nfs/dbraw/zinc/14/34/20/944143420.db2.gz XBKXAJUBOKHZHU-OAHLLOKOSA-N 2 0 279.428 1.580 20 30 CDEDRP C[NH+]1CCC(C[NH+]2CCN([C@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC001254675087 947590950 /nfs/dbraw/zinc/59/09/50/947590950.db2.gz DXTGHVSSLXEHMB-SJORKVTESA-N 2 0 290.455 1.638 20 30 CDEDRP CCCCCCCC[C@H](O)C[NH2+][C@@H](C)CN1CC[NH2+]CC1 ZINC001245975506 947871461 /nfs/dbraw/zinc/87/14/61/947871461.db2.gz QOXNLPFFNZAPPY-IRXDYDNUSA-N 2 0 299.503 1.981 20 30 CDEDRP CCCCCCCC[C@H](O)CN1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246068165 947923830 /nfs/dbraw/zinc/92/38/30/947923830.db2.gz ZEFQGYBWJNDUPE-LSDHHAIUSA-N 2 0 284.444 1.757 20 30 CDEDRP CC[C@@H](CC#N)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246145360 947987584 /nfs/dbraw/zinc/98/75/84/947987584.db2.gz MONBARIKEXOUBB-QWHCGFSZSA-N 2 0 250.390 1.142 20 30 CDEDRP C[C@@H](CCCC#N)[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001246217364 948033887 /nfs/dbraw/zinc/03/38/87/948033887.db2.gz FNIMHPDZPGRXFZ-LBPRGKRZSA-N 2 0 250.390 1.095 20 30 CDEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+]C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246303115 948094402 /nfs/dbraw/zinc/09/44/02/948094402.db2.gz GYBHYMNWUYPDSZ-YDHLFZDLSA-N 2 0 297.443 1.332 20 30 CDEDRP N#Cc1cccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246326332 948106992 /nfs/dbraw/zinc/10/69/92/948106992.db2.gz MAGQUDUVWFNSSE-YIONKMFJSA-N 2 0 271.364 1.810 20 30 CDEDRP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246709141 948413754 /nfs/dbraw/zinc/41/37/54/948413754.db2.gz SCHNOWBLLBOIAI-KRWDZBQOSA-N 2 0 291.439 1.772 20 30 CDEDRP C[N@@H+]1CC[C@@]2(CCN(Cc3cnn4ccc(C#N)cc34)C2)C1 ZINC001249118727 949390671 /nfs/dbraw/zinc/39/06/71/949390671.db2.gz KBLRSGBIFNRJPB-QGZVFWFLSA-N 2 0 295.390 1.734 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]CC1CC[NH+](C(C)C)CC1 ZINC001252481676 951341089 /nfs/dbraw/zinc/34/10/89/951341089.db2.gz FNHMIWROPRCEIB-OAHLLOKOSA-N 2 0 270.417 1.260 20 30 CDEDRP CC[NH+](CC)C[C@H](O)CNC(=[NH2+])c1ccc(Cl)cn1 ZINC001253205271 951802157 /nfs/dbraw/zinc/80/21/57/951802157.db2.gz BJHXJUWCWNBVDV-LLVKDONJSA-N 2 0 284.791 1.143 20 30 CDEDRP C=C[C@@H](O)C[NH2+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC001253605454 951991649 /nfs/dbraw/zinc/99/16/49/951991649.db2.gz SOPUGTLWWURMSD-MRXNPFEDSA-N 2 0 282.428 1.262 20 30 CDEDRP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001493136115 971956472 /nfs/dbraw/zinc/95/64/72/971956472.db2.gz PJOIIDLZDRWJTF-LSDHHAIUSA-N 2 0 281.444 1.729 20 30 CDEDRP C#CCN(C)CCC[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001329140066 955712624 /nfs/dbraw/zinc/71/26/24/955712624.db2.gz CQCFFXDFSVJAHS-UHFFFAOYSA-N 2 0 298.390 1.432 20 30 CDEDRP C=CCOCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001494861458 972325087 /nfs/dbraw/zinc/32/50/87/972325087.db2.gz BOBKRDYTSBQRJQ-CABCVRRESA-N 2 0 297.443 1.062 20 30 CDEDRP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CC#CC[NH+](C)C ZINC001335381729 959755953 /nfs/dbraw/zinc/75/59/53/959755953.db2.gz MKZPJKAXSKFMCB-HOCLYGCPSA-N 2 0 260.381 1.306 20 30 CDEDRP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001444063309 965727900 /nfs/dbraw/zinc/72/79/00/965727900.db2.gz YUPVOXOYGWEQIB-ZDUSSCGKSA-N 2 0 299.846 1.852 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001444108098 965739342 /nfs/dbraw/zinc/73/93/42/965739342.db2.gz OEMFIRSSFRUHOK-UKRRQHHQSA-N 2 0 299.846 1.708 20 30 CDEDRP Cc1cc(C)cc(OC[C@H](O)C[NH2+]CC#CC[NH+](C)C)c1 ZINC001353300544 967874983 /nfs/dbraw/zinc/87/49/83/967874983.db2.gz NJTPSTHWSUWEFZ-MRXNPFEDSA-N 2 0 290.407 1.198 20 30 CDEDRP CC(C)(C)N1CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001353329833 967903806 /nfs/dbraw/zinc/90/38/06/967903806.db2.gz REZRTJFJRVFOMV-CHWSQXEVSA-N 2 0 267.417 1.750 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001353494466 968016350 /nfs/dbraw/zinc/01/63/50/968016350.db2.gz DRWHDJUUFHHDCJ-BFHYXJOUSA-N 2 0 265.401 1.413 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001353729562 968190273 /nfs/dbraw/zinc/19/02/73/968190273.db2.gz UTPKHNZNPZMHBS-HZSPNIEDSA-N 2 0 265.401 1.365 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001100404777 968253335 /nfs/dbraw/zinc/25/33/35/968253335.db2.gz UFEXPVFXPIMDTK-UHFFFAOYSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001200644409 968688363 /nfs/dbraw/zinc/68/83/63/968688363.db2.gz LCLXSWDGDHBQIO-JKSUJKDBSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001100635081 968836788 /nfs/dbraw/zinc/83/67/88/968836788.db2.gz ZKTFRZPGGXXFTQ-UHFFFAOYSA-N 2 0 279.428 1.389 20 30 CDEDRP C=CC[N@@H+](C)CCCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001502390484 974731552 /nfs/dbraw/zinc/73/15/52/974731552.db2.gz GNQNNGXLLMAXTH-CYBMUJFWSA-N 2 0 255.406 1.293 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001398543845 976028744 /nfs/dbraw/zinc/02/87/44/976028744.db2.gz ZJXMIYAUBDTBOU-AVGNSLFASA-N 2 0 287.835 1.562 20 30 CDEDRP C=CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001132435370 1163289767 /nfs/dbraw/zinc/28/97/67/1163289767.db2.gz CEUCKLGWJIROMB-UONOGXRCSA-N 2 0 267.417 1.483 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001132737892 1163458904 /nfs/dbraw/zinc/45/89/04/1163458904.db2.gz RWXIOVJUVBSIOW-OAHLLOKOSA-N 2 0 281.444 1.780 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132887332 1163501671 /nfs/dbraw/zinc/50/16/71/1163501671.db2.gz DLODPPPIQPRFBU-CABCVRRESA-N 2 0 293.455 1.731 20 30 CDEDRP C[NH+](C)CCCC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001133040560 1163540967 /nfs/dbraw/zinc/54/09/67/1163540967.db2.gz WSXNJEZXTBLUEG-UHFFFAOYSA-N 2 0 287.407 1.086 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)[C@](C)(C[NH3+])CC(C)C ZINC001574603890 1170995516 /nfs/dbraw/zinc/99/55/16/1170995516.db2.gz HHFSNVFCNVKPGE-HNNXBMFYSA-N 2 0 267.417 1.069 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635530644 361769713 /nfs/dbraw/zinc/76/97/13/361769713.db2.gz GKPLELNUBLVKFZ-MRXNPFEDSA-N 2 0 291.439 1.770 20 30 CDEDRP C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1CC[NH+](C)CC1 ZINC000594439165 342906680 /nfs/dbraw/zinc/90/66/80/342906680.db2.gz SWJAPEODEWDZSQ-OCCSQVGLSA-N 2 0 280.416 1.244 20 30 CDEDRP CCC(C)(C)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000594459007 342912121 /nfs/dbraw/zinc/91/21/21/342912121.db2.gz JHYFOAAMVWCVMN-CYBMUJFWSA-N 2 0 280.416 1.340 20 30 CDEDRP CC(C)(C#N)CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594610614 342926491 /nfs/dbraw/zinc/92/64/91/342926491.db2.gz FCNFAWQFYAEVPX-CQSZACIVSA-N 2 0 265.401 1.769 20 30 CDEDRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442775403 362090197 /nfs/dbraw/zinc/09/01/97/362090197.db2.gz FUJSCYJPXZIAFQ-HZPDHXFCSA-N 2 0 278.444 1.542 20 30 CDEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598719848 343883210 /nfs/dbraw/zinc/88/32/10/343883210.db2.gz KAJKELSYPWMAKE-CABCVRRESA-N 2 0 281.444 1.997 20 30 CDEDRP C[N@H+](CCCC[NH2+]C[C@@H](O)CC(C)(C)C#N)C1CC1 ZINC000598728239 343886787 /nfs/dbraw/zinc/88/67/87/343886787.db2.gz PLZZCUQYPJCCOZ-AWEZNQCLSA-N 2 0 267.417 1.751 20 30 CDEDRP C[C@@H](CCC#N)CN(CC[NH+](C)C)CC[NH+](C)C ZINC000602655260 344517664 /nfs/dbraw/zinc/51/76/64/344517664.db2.gz GJMOTYKNDNSFRG-AWEZNQCLSA-N 2 0 254.422 1.351 20 30 CDEDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000618562109 344998103 /nfs/dbraw/zinc/99/81/03/344998103.db2.gz ZDLHFHMGJCGETK-GJZGRUSLSA-N 2 0 278.444 1.684 20 30 CDEDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000618562108 344998223 /nfs/dbraw/zinc/99/82/23/344998223.db2.gz ZDLHFHMGJCGETK-CABCVRRESA-N 2 0 278.444 1.684 20 30 CDEDRP C#C[C@H](CCC)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000491640677 347585458 /nfs/dbraw/zinc/58/54/58/347585458.db2.gz YRLNMIBSTCTQEI-OLZOCXBDSA-N 2 0 250.390 1.387 20 30 CDEDRP CC(C)CC[NH+]1CCC(CNC(=[NH2+])N2CCOCC2)CC1 ZINC000079918258 347660589 /nfs/dbraw/zinc/66/05/89/347660589.db2.gz WFDKNEVPGYSZMU-UHFFFAOYSA-N 2 0 296.459 1.391 20 30 CDEDRP CNC(NCCC[N@@H+]1CCc2ccccc2C1)=[NH+]C ZINC000264085469 362962749 /nfs/dbraw/zinc/96/27/49/362962749.db2.gz JHALOWMBUGYUFB-UHFFFAOYSA-N 2 0 260.385 1.230 20 30 CDEDRP CC[NH+](CC)[C@H](C)CNC(NCc1ccco1)=[NH+]C ZINC000264087775 362963038 /nfs/dbraw/zinc/96/30/38/362963038.db2.gz VZMGOKBHEWDFLJ-GFCCVEGCSA-N 2 0 266.389 1.675 20 30 CDEDRP CCCNC(=[NH2+])NCc1cccc(C[N@H+](C)CC)c1 ZINC000264136074 362976459 /nfs/dbraw/zinc/97/64/59/362976459.db2.gz ZQNFLZBQRBPFQO-UHFFFAOYSA-N 2 0 262.401 1.953 20 30 CDEDRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000271859925 191374541 /nfs/dbraw/zinc/37/45/41/191374541.db2.gz KCYUYKVOIZZMDF-ZDUSSCGKSA-N 2 0 273.380 1.666 20 30 CDEDRP C[C@H](CCNC(=[NH2+])N(C)C)[N@H+](C)Cc1ccccc1 ZINC000083052655 358201174 /nfs/dbraw/zinc/20/11/74/358201174.db2.gz IYXCXJYCXJJZID-CYBMUJFWSA-N 2 0 262.401 1.773 20 30 CDEDRP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCOCC3)cc1C#N ZINC001579697052 1172242955 /nfs/dbraw/zinc/24/29/55/1172242955.db2.gz UWLNZKDQJYYJFW-HOTGVXAUSA-N 2 0 285.391 1.853 20 30 CDEDRP C[C@@H](CCC#N)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000429684850 360867848 /nfs/dbraw/zinc/86/78/48/360867848.db2.gz NFORUARCXUUUBR-AWEZNQCLSA-N 2 0 252.406 1.248 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000081731873 369992139 /nfs/dbraw/zinc/99/21/39/369992139.db2.gz HADNXPQQEJAOHP-AWEZNQCLSA-N 2 0 293.455 1.424 20 30 CDEDRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000176989062 372092867 /nfs/dbraw/zinc/09/28/67/372092867.db2.gz ZFXMNWNVJGETEG-UHFFFAOYSA-N 2 0 276.384 1.267 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417534270 377875623 /nfs/dbraw/zinc/87/56/23/377875623.db2.gz VVZWDBTZFKKDMN-KBPBESRZSA-N 2 0 294.443 1.454 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[NH3+])CC1 ZINC000417542423 377939133 /nfs/dbraw/zinc/93/91/33/377939133.db2.gz SXHSCHYECDBKNR-UHFFFAOYSA-N 2 0 268.405 1.063 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000343760283 378959027 /nfs/dbraw/zinc/95/90/27/378959027.db2.gz AGDUEYKKFBFMHR-ZFWWWQNUSA-N 2 0 294.443 1.419 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000343760278 378959615 /nfs/dbraw/zinc/95/96/15/378959615.db2.gz AGDUEYKKFBFMHR-HIFRSBDPSA-N 2 0 294.443 1.419 20 30 CDEDRP CN(CCNC(=[NH2+])NC(C)(C)C)Cc1ccccc1 ZINC000170910075 390942274 /nfs/dbraw/zinc/94/22/74/390942274.db2.gz BKUBTLFKRDBJAG-UHFFFAOYSA-N 2 0 262.401 1.821 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC000345322951 391134246 /nfs/dbraw/zinc/13/42/46/391134246.db2.gz RYRMTLBCTKJQCL-OAHLLOKOSA-N 2 0 281.444 1.873 20 30 CDEDRP C[NH+]=C(NCc1ccoc1)NC[C@@H]1CCC[N@@H+]1C ZINC000176328264 391151507 /nfs/dbraw/zinc/15/15/07/391151507.db2.gz OWWWGFYRVPHXKI-LBPRGKRZSA-N 2 0 250.346 1.039 20 30 CDEDRP C=CCOCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000339045601 391246658 /nfs/dbraw/zinc/24/66/58/391246658.db2.gz XAOAXEJKJJKUSX-SOUVJXGZSA-N 2 0 268.401 1.373 20 30 CDEDRP CN(C)C(=[NH+]Cc1ccnc(OCC[NH+](C)C)c1)N(C)C ZINC000270582090 391277040 /nfs/dbraw/zinc/27/70/40/391277040.db2.gz QHLZYDRVFDOGHG-UHFFFAOYSA-N 2 0 293.415 1.001 20 30 CDEDRP C=CCC[C@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339658310 391320869 /nfs/dbraw/zinc/32/08/69/391320869.db2.gz RMZRROPSWGKYSC-WFVVYAPDSA-N 2 0 296.455 1.887 20 30 CDEDRP C=CCN1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647788611 391471253 /nfs/dbraw/zinc/47/12/53/391471253.db2.gz NCMPAKIOTPFTAZ-SQWLQELKSA-N 2 0 263.429 1.615 20 30 CDEDRP CNC(NC[C@@H]1CSCCN1Cc1ccccc1)=[NH+]C ZINC000277284614 263040536 /nfs/dbraw/zinc/04/05/36/263040536.db2.gz KHBOMMJSUZSENS-CQSZACIVSA-N 2 0 292.452 1.399 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000368080827 267144856 /nfs/dbraw/zinc/14/48/56/267144856.db2.gz AIRZESVPGXIFLD-JKSUJKDBSA-N 2 0 291.439 1.389 20 30 CDEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCOCCC#N)C2)CC1 ZINC000582738709 329134636 /nfs/dbraw/zinc/13/46/36/329134636.db2.gz HPGHUNGZEFSNKM-MRXNPFEDSA-N 2 0 294.443 1.017 20 30 CDEDRP C[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCCC1 ZINC000262169958 330001300 /nfs/dbraw/zinc/00/13/00/330001300.db2.gz UXOPQNHNSHYAOU-GFCCVEGCSA-N 2 0 250.390 1.142 20 30 CDEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000262562751 330021365 /nfs/dbraw/zinc/02/13/65/330021365.db2.gz WVEMVZLJFSGIKI-TZMCWYRMSA-N 2 0 288.395 1.366 20 30 CDEDRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000424079283 330221451 /nfs/dbraw/zinc/22/14/51/330221451.db2.gz RAERHZWGLAOXBN-BXUZGUMPSA-N 2 0 274.368 1.344 20 30 CDEDRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424151002 330297076 /nfs/dbraw/zinc/29/70/76/330297076.db2.gz GWTPPZAJLWDHIE-MJBXVCDLSA-N 2 0 280.416 1.387 20 30 CDEDRP C[N@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)Cc1ccccc1 ZINC000424155263 330301991 /nfs/dbraw/zinc/30/19/91/330301991.db2.gz MUMBZRPCXHRSKQ-HNNXBMFYSA-N 2 0 288.395 1.256 20 30 CDEDRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)CC[NH2+]CC1 ZINC000424375758 330348474 /nfs/dbraw/zinc/34/84/74/330348474.db2.gz NVOAOMVBTYFAQU-MELADBBJSA-N 2 0 293.411 1.590 20 30 CDEDRP C#CC[N@H+](C)CCCNC1CC[NH+](CC2CC2)CC1 ZINC000491165769 332159875 /nfs/dbraw/zinc/15/98/75/332159875.db2.gz NDONDEINNWNPJF-UHFFFAOYSA-N 2 0 263.429 1.406 20 30 CDEDRP C#CCNC(=O)CCNC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000491453553 332214536 /nfs/dbraw/zinc/21/45/36/332214536.db2.gz SJJPNHCZTCKVOG-INIZCTEOSA-N 2 0 293.455 1.616 20 30 CDEDRP C#CC[NH+](C)CCCNC(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000491643444 332262301 /nfs/dbraw/zinc/26/23/01/332262301.db2.gz FTSNMNDSVNYPSW-LSDHHAIUSA-N 2 0 294.443 1.066 20 30 CDEDRP C#CCN(C)CCC[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC000491807828 332360828 /nfs/dbraw/zinc/36/08/28/332360828.db2.gz TWYTXBFTIDDJGY-NVXWUHKLSA-N 2 0 274.408 1.696 20 30 CDEDRP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001024365836 1159400672 /nfs/dbraw/zinc/40/06/72/1159400672.db2.gz ITBWWQUAPWDRJB-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)n1cnc(C)c1 ZINC001755305760 1159828773 /nfs/dbraw/zinc/82/87/73/1159828773.db2.gz VVDHFGMYNFEENA-CQSZACIVSA-N 2 0 290.411 1.386 20 30 CDEDRP C=C(C)CC[NH+]1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001031050941 1161129710 /nfs/dbraw/zinc/12/97/10/1161129710.db2.gz DGXPGQCGXQULNE-UHFFFAOYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000750542489 576994799 /nfs/dbraw/zinc/99/47/99/576994799.db2.gz KAMSRKQDOLLVDI-UHFFFAOYSA-N 2 0 272.396 1.951 20 30 CDEDRP C#CC[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000963912359 612955596 /nfs/dbraw/zinc/95/55/96/612955596.db2.gz KACZXYKLVSLRCC-QQFBHYJXSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000969792554 612996966 /nfs/dbraw/zinc/99/69/66/612996966.db2.gz KNZLGGCJEPALDZ-GOEBONIOSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974976457 613282461 /nfs/dbraw/zinc/28/24/61/613282461.db2.gz VPXQOJKULMZPRT-SOUVJXGZSA-N 2 0 291.439 1.177 20 30 CDEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000971526276 613289720 /nfs/dbraw/zinc/28/97/20/613289720.db2.gz WLKQBXFRUNKSNT-HOTGVXAUSA-N 2 0 293.455 1.968 20 30 CDEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000969792528 613298815 /nfs/dbraw/zinc/29/88/15/613298815.db2.gz KEKSLEFWEZHVNG-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977454145 613338006 /nfs/dbraw/zinc/33/80/06/613338006.db2.gz OGZIWXQFBIOIRN-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000977919979 613381537 /nfs/dbraw/zinc/38/15/37/613381537.db2.gz LANJJQNDTPLWTK-YIYPIFLZSA-N 2 0 297.830 1.127 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981143790 613495698 /nfs/dbraw/zinc/49/56/98/613495698.db2.gz VASFMTLZACDNLD-MRXNPFEDSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH+]1CC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000970156207 613671624 /nfs/dbraw/zinc/67/16/24/613671624.db2.gz AHJBKFGDBUYMFZ-LBPRGKRZSA-N 2 0 284.363 1.570 20 30 CDEDRP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000981827892 613679943 /nfs/dbraw/zinc/67/99/43/613679943.db2.gz PVCCTQIYPBYOOH-HNNXBMFYSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000980244183 613833518 /nfs/dbraw/zinc/83/35/18/613833518.db2.gz XXRLXLHAVKFYCA-XHSDSOJGSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000969213605 613867260 /nfs/dbraw/zinc/86/72/60/613867260.db2.gz FCFLRSSPOXELPQ-CYBMUJFWSA-N 2 0 270.336 1.324 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000891522173 617459082 /nfs/dbraw/zinc/45/90/82/617459082.db2.gz NTWMFSIDSILKNO-CABCVRRESA-N 2 0 292.427 1.173 20 30 CDEDRP C=C(C)C[NH+]1CCC(N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925609038 617552695 /nfs/dbraw/zinc/55/26/95/617552695.db2.gz NTYLCYPMOOUQPU-HIFRSBDPSA-N 2 0 251.418 1.757 20 30 CDEDRP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000924966219 618480640 /nfs/dbraw/zinc/48/06/40/618480640.db2.gz QMKVKFPKDQGPPY-KBPBESRZSA-N 2 0 266.433 1.540 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000911846658 629585977 /nfs/dbraw/zinc/58/59/77/629585977.db2.gz QAQPKJKZIJPCRF-GFCCVEGCSA-N 2 0 257.422 1.918 20 30 CDEDRP CCC[NH+]=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC(C)(C)C ZINC000912509770 630049361 /nfs/dbraw/zinc/04/93/61/630049361.db2.gz QGAKEXHQVUFBBW-UONOGXRCSA-N 2 0 296.459 1.593 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235410990 1161166522 /nfs/dbraw/zinc/16/65/22/1161166522.db2.gz SNDXXLPZYLIKNR-INIZCTEOSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCOC1CCC([NH2+]CCSCC[NH3+])CC1 ZINC001173316327 1164294030 /nfs/dbraw/zinc/29/40/30/1164294030.db2.gz GLNAAAIYNJEABG-UHFFFAOYSA-N 2 0 258.431 1.782 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2/C=C\C)CC1 ZINC000876756533 1165908582 /nfs/dbraw/zinc/90/85/82/1165908582.db2.gz UISQQGXKVGIBSA-JLHXHDPKSA-N 2 0 277.412 1.165 20 30 CDEDRP C#CC[C@]1(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CCC[NH2+]1 ZINC001574516392 1170991018 /nfs/dbraw/zinc/99/10/18/1170991018.db2.gz FNWZRQNICLGHLT-RHSMWYFYSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CCN(CCCNC(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC001574666746 1170998521 /nfs/dbraw/zinc/99/85/21/1170998521.db2.gz HAMAEJRBLBPDFA-UHFFFAOYSA-N 2 0 295.427 1.588 20 30 CDEDRP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001731374688 1182345124 /nfs/dbraw/zinc/34/51/24/1182345124.db2.gz XAHNRCCVNQROEW-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001734297122 1183717896 /nfs/dbraw/zinc/71/78/96/1183717896.db2.gz GMDCVEULZYXOHH-HOTGVXAUSA-N 2 0 293.455 1.423 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001753447835 1184541443 /nfs/dbraw/zinc/54/14/43/1184541443.db2.gz HQDZISSMHZJFJN-OAHLLOKOSA-N 2 0 279.428 1.274 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001753451127 1184543956 /nfs/dbraw/zinc/54/39/56/1184543956.db2.gz XRVRJYHTYPCIMG-CQSZACIVSA-N 2 0 267.417 1.435 20 30 CDEDRP C=C(C)C[NH+](C)CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001752060486 1184812475 /nfs/dbraw/zinc/81/24/75/1184812475.db2.gz TXJFXYBPTFZQIK-CQSZACIVSA-N 2 0 267.417 1.342 20 30 CDEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001752776341 1184909248 /nfs/dbraw/zinc/90/92/48/1184909248.db2.gz PKGQCKCGICRGFH-IYBDPMFKSA-N 2 0 291.439 1.513 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001753106939 1185063105 /nfs/dbraw/zinc/06/31/05/1185063105.db2.gz VNUOSNJPLSSYQL-CQSZACIVSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CCC[NH2+][C@@H](CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001753301836 1185148325 /nfs/dbraw/zinc/14/83/25/1185148325.db2.gz OXKKBOMKDYAQBS-INIZCTEOSA-N 2 0 287.407 1.409 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001754280906 1185549025 /nfs/dbraw/zinc/54/90/25/1185549025.db2.gz PIBAGBLUIIAJFC-NSHDSACASA-N 2 0 261.797 1.175 20 30 CDEDRP C=CC[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001754283649 1185550419 /nfs/dbraw/zinc/55/04/19/1185550419.db2.gz FZXLEBJSGYSPLZ-SWLSCSKDSA-N 2 0 285.407 1.479 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001754565866 1185667452 /nfs/dbraw/zinc/66/74/52/1185667452.db2.gz OGEWOVPZZHZKHE-KRWDZBQOSA-N 2 0 293.455 1.829 20 30 CDEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C(C)(C)C1 ZINC001755412006 1185945722 /nfs/dbraw/zinc/94/57/22/1185945722.db2.gz JAXXBAHKINENAG-OAHLLOKOSA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[NH2+]CCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001755502661 1185973866 /nfs/dbraw/zinc/97/38/66/1185973866.db2.gz KEDWTJRRJXHAEH-AWEZNQCLSA-N 2 0 279.428 1.369 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001755761184 1186060108 /nfs/dbraw/zinc/06/01/08/1186060108.db2.gz CQTOFSLRRAZGHB-CQSZACIVSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC1(C)C ZINC001755766161 1186061142 /nfs/dbraw/zinc/06/11/42/1186061142.db2.gz FFQPCCFYYVDFNF-AWEZNQCLSA-N 2 0 281.444 1.729 20 30 CDEDRP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001000851068 734074892 /nfs/dbraw/zinc/07/48/92/734074892.db2.gz LHLQXWFAERXESZ-MRXNPFEDSA-N 2 0 291.439 1.795 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1(C)C ZINC000996311364 735288673 /nfs/dbraw/zinc/28/86/73/735288673.db2.gz RZKWHNQQDRYZKN-CQSZACIVSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001052715250 735315065 /nfs/dbraw/zinc/31/50/65/735315065.db2.gz BIVTVKUJRDLSBO-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000998902833 735341234 /nfs/dbraw/zinc/34/12/34/735341234.db2.gz YULAZPQNPHWYBM-HWOWSKLDSA-N 2 0 291.439 1.462 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC)C2)CC1 ZINC001072095461 735359142 /nfs/dbraw/zinc/35/91/42/735359142.db2.gz IPYVYUIBYQJYJK-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001008535299 735409122 /nfs/dbraw/zinc/40/91/22/735409122.db2.gz SEKJYHLVHJYJQK-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000303871219 735417595 /nfs/dbraw/zinc/41/75/95/735417595.db2.gz BOOTWYPITIFQGX-KGLIPLIRSA-N 2 0 284.448 1.580 20 30 CDEDRP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ncc[nH]1 ZINC001032379505 735486153 /nfs/dbraw/zinc/48/61/53/735486153.db2.gz TZQUMBAMNJURAK-KBPBESRZSA-N 2 0 288.395 1.594 20 30 CDEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997421076 735541167 /nfs/dbraw/zinc/54/11/67/735541167.db2.gz NQIZJKRAVIDOAR-ZBFHGGJFSA-N 2 0 291.439 1.178 20 30 CDEDRP C[NH+](C)C1(CNC(=[NH2+])NC[C@H]2CCCO2)CCCCC1 ZINC000261776694 735723709 /nfs/dbraw/zinc/72/37/09/735723709.db2.gz NJJJPOGMNDFVMS-CYBMUJFWSA-N 2 0 282.432 1.334 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001050754675 735788529 /nfs/dbraw/zinc/78/85/29/735788529.db2.gz AWNMDPUWWNSXHI-UHFFFAOYSA-N 2 0 277.412 1.193 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000998899961 735797951 /nfs/dbraw/zinc/79/79/51/735797951.db2.gz TYRJFWGXVZQCJI-FHERZECASA-N 2 0 293.455 1.729 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)CCC#N ZINC000849028294 735817833 /nfs/dbraw/zinc/81/78/33/735817833.db2.gz GYERYBSHRQXEPZ-ZDUSSCGKSA-N 2 0 279.432 1.915 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999972604 735833755 /nfs/dbraw/zinc/83/37/55/735833755.db2.gz HAVGCVLXTJYSTH-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001042359233 735851414 /nfs/dbraw/zinc/85/14/14/735851414.db2.gz YFUJMRJORQXBAK-JKSUJKDBSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001036306313 735963699 /nfs/dbraw/zinc/96/36/99/735963699.db2.gz WTCRWXDLBSTNJB-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP CC(C)[NH+]1CCC([NH2+]CCNc2ccc(C#N)cn2)CC1 ZINC000927168956 735887736 /nfs/dbraw/zinc/88/77/36/735887736.db2.gz MDIDMWIBXRPTAC-UHFFFAOYSA-N 2 0 287.411 1.828 20 30 CDEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001005587660 735922410 /nfs/dbraw/zinc/92/24/10/735922410.db2.gz HWSCFPAXDFLFNH-INIZCTEOSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCCc3nccn32)C1 ZINC001031730414 736008753 /nfs/dbraw/zinc/00/87/53/736008753.db2.gz NUQIHYIOUPQXTK-CQSZACIVSA-N 2 0 288.395 1.385 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033938274 736091409 /nfs/dbraw/zinc/09/14/09/736091409.db2.gz VIPOZVSVSVCKAA-HRCADAONSA-N 2 0 293.455 1.826 20 30 CDEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])N2CCC[C@H](C)C2)CC1 ZINC000303870931 736099224 /nfs/dbraw/zinc/09/92/24/736099224.db2.gz BLRXTSKLEYGSFK-LSDHHAIUSA-N 2 0 295.475 1.059 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001018966960 736244178 /nfs/dbraw/zinc/24/41/78/736244178.db2.gz YBOJOJMHKHMPNX-UONOGXRCSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CCNC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000261756265 736251095 /nfs/dbraw/zinc/25/10/95/736251095.db2.gz KTJRSZJKHIHJOY-GFCCVEGCSA-N 2 0 252.406 1.587 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001027893339 736282727 /nfs/dbraw/zinc/28/27/27/736282727.db2.gz SUIUEEJERMTQCI-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCN1CCC[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000886661095 736285912 /nfs/dbraw/zinc/28/59/12/736285912.db2.gz MGMRHURVSLRPMO-GOEBONIOSA-N 2 0 263.429 1.404 20 30 CDEDRP C=CCC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000883186970 733214747 /nfs/dbraw/zinc/21/47/47/733214747.db2.gz CVLZLYYDANBPBD-IKGGRYGDSA-N 2 0 295.471 1.726 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033476305 733417720 /nfs/dbraw/zinc/41/77/20/733417720.db2.gz VDYSQFBLIZPRMM-INIZCTEOSA-N 2 0 291.439 1.274 20 30 CDEDRP COc1cccc(NC(=[NH2+])NC[C@H](C2CC2)[NH+](C)C)c1 ZINC000303881044 733445774 /nfs/dbraw/zinc/44/57/74/733445774.db2.gz KOFHDOGLLZSNIK-CQSZACIVSA-N 2 0 276.384 1.762 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001020673002 733486746 /nfs/dbraw/zinc/48/67/46/733486746.db2.gz DPBKZZBITOROKB-RBSFLKMASA-N 2 0 277.412 1.121 20 30 CDEDRP CNC(NCC1(C[NH+]2CCOCC2)CCCCC1)=[NH+]C ZINC000304804213 733519788 /nfs/dbraw/zinc/51/97/88/733519788.db2.gz AZPMUUYHKHHHLS-UHFFFAOYSA-N 2 0 282.432 1.064 20 30 CDEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000997101988 733616578 /nfs/dbraw/zinc/61/65/78/733616578.db2.gz UEIYJGJMRTVHEN-IIAWOOMASA-N 2 0 293.455 1.729 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ccnc1 ZINC001049927313 733821352 /nfs/dbraw/zinc/82/13/52/733821352.db2.gz IYZNFLNQGUDQRX-HUUCEWRRSA-N 2 0 288.395 1.525 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cncn1C ZINC001039460173 733852084 /nfs/dbraw/zinc/85/20/84/733852084.db2.gz CVRZRKRTXDWGQQ-KGLIPLIRSA-N 2 0 288.395 1.214 20 30 CDEDRP CC[NH+]=C(NC[C@H]1CC[N@H+](CC)C1)N1CCCC1 ZINC000103891908 733865122 /nfs/dbraw/zinc/86/51/22/733865122.db2.gz IXXDAHMOCOJHBJ-CYBMUJFWSA-N 2 0 252.406 1.390 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028549365 733877866 /nfs/dbraw/zinc/87/78/66/733877866.db2.gz PLSRAPSEQMFQEI-QLFBSQMISA-N 2 0 279.428 1.341 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024637636 733880652 /nfs/dbraw/zinc/88/06/52/733880652.db2.gz LYNNRQQTQGIUCQ-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP CC(C)NC(=[NH2+])NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000303904686 733883805 /nfs/dbraw/zinc/88/38/05/733883805.db2.gz VDOVLUVFJGHFIH-CYBMUJFWSA-N 2 0 254.422 1.811 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001049897232 733907680 /nfs/dbraw/zinc/90/76/80/733907680.db2.gz QUROFLOELQXNKP-ARFHVFGLSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CCNC(=[NH2+])NCc1ccccc1Cn1ccnc1 ZINC000849009817 733955595 /nfs/dbraw/zinc/95/55/95/733955595.db2.gz SFBOFUQXLWJSFC-UHFFFAOYSA-N 2 0 269.352 1.731 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001026606736 734010887 /nfs/dbraw/zinc/01/08/87/734010887.db2.gz RFVAEQMRHWSCRJ-UHFFFAOYSA-N 2 0 299.846 1.852 20 30 CDEDRP C=CCC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000883192196 734028210 /nfs/dbraw/zinc/02/82/10/734028210.db2.gz SORBKOLPLQJSAL-LSDHHAIUSA-N 2 0 282.428 1.547 20 30 CDEDRP CC(C)CNC(=[NH2+])NCCC[NH+]1CCC(C)CC1 ZINC000303789739 734032161 /nfs/dbraw/zinc/03/21/61/734032161.db2.gz VRARHWWHCSWYBA-UHFFFAOYSA-N 2 0 254.422 1.669 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001015706248 734074417 /nfs/dbraw/zinc/07/44/17/734074417.db2.gz SUHVLEALKYRKSV-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP CC(C)[N@H+](C)CC1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801917777 734113409 /nfs/dbraw/zinc/11/34/09/734113409.db2.gz PARARKDCNFRQJB-CQSZACIVSA-N 2 0 267.417 1.967 20 30 CDEDRP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001028767468 734113628 /nfs/dbraw/zinc/11/36/28/734113628.db2.gz OLNFITOKVDHNFR-XHSDSOJGSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(C)C ZINC001027939405 734198051 /nfs/dbraw/zinc/19/80/51/734198051.db2.gz PFGMZZNPNNJQGV-HOTGVXAUSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033940213 734202992 /nfs/dbraw/zinc/20/29/92/734202992.db2.gz FXDCLBFNOHPSNS-INIZCTEOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001032206366 734243793 /nfs/dbraw/zinc/24/37/93/734243793.db2.gz YGIJVKHYPDTUNM-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001049557623 734249573 /nfs/dbraw/zinc/24/95/73/734249573.db2.gz JNSOVNFQDHSQHW-OAGGEKHMSA-N 2 0 291.439 1.722 20 30 CDEDRP C=CCCN1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001043736047 734267963 /nfs/dbraw/zinc/26/79/63/734267963.db2.gz DDIQEELLBRAXBG-UHFFFAOYSA-N 2 0 265.401 1.047 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048723924 734268972 /nfs/dbraw/zinc/26/89/72/734268972.db2.gz RAEUVGIBPRMIPZ-OWCLPIDISA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001020926610 734276523 /nfs/dbraw/zinc/27/65/23/734276523.db2.gz GLWJKHRQBRRVIV-ZQDZILKHSA-N 2 0 279.428 1.530 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001038270123 734278285 /nfs/dbraw/zinc/27/82/85/734278285.db2.gz SAJCVKQWNKOJMR-JKSUJKDBSA-N 2 0 291.439 1.485 20 30 CDEDRP N#Cc1ccc([C@@H](O)C[NH2+][C@H]2CCn3ccnc3C2)cc1 ZINC000819243561 734304752 /nfs/dbraw/zinc/30/47/52/734304752.db2.gz AZQPXANFKZQSOM-GJZGRUSLSA-N 2 0 282.347 1.393 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000988957988 734308330 /nfs/dbraw/zinc/30/83/30/734308330.db2.gz HIMXDVWCYMTRQW-STQMWFEESA-N 2 0 265.401 1.236 20 30 CDEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001045523136 734331847 /nfs/dbraw/zinc/33/18/47/734331847.db2.gz FABBGTRMLSTLOY-AWEZNQCLSA-N 2 0 279.428 1.627 20 30 CDEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000843340476 734407768 /nfs/dbraw/zinc/40/77/68/734407768.db2.gz QKEYKYSJPFESKP-HZSPNIEDSA-N 2 0 256.353 1.431 20 30 CDEDRP C=CCC[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)[C@@H]1CCCO1 ZINC000883215728 734435333 /nfs/dbraw/zinc/43/53/33/734435333.db2.gz FFVDWBUYCHUWGV-KKUMJFAQSA-N 2 0 268.401 1.156 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(=C)C)C2)CC1 ZINC001019813576 734443669 /nfs/dbraw/zinc/44/36/69/734443669.db2.gz HHRUQYIESLWHTL-INIZCTEOSA-N 2 0 289.423 1.098 20 30 CDEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001026149202 734446811 /nfs/dbraw/zinc/44/68/11/734446811.db2.gz WRBSDNHNKDLMPK-NPCUJANDSA-N 2 0 291.439 1.482 20 30 CDEDRP C=CC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000985802336 734476479 /nfs/dbraw/zinc/47/64/79/734476479.db2.gz QPPAOXVJJFSONX-MRXNPFEDSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001028538032 734520854 /nfs/dbraw/zinc/52/08/54/734520854.db2.gz XZXJMNFVBGRVDQ-HOTGVXAUSA-N 2 0 291.439 1.321 20 30 CDEDRP C[NH+]=C(NC[C@@H](C(C)C)[NH+]1CCCC1)NC1CC1 ZINC000848984179 734553354 /nfs/dbraw/zinc/55/33/54/734553354.db2.gz WDAAFURVDHNQSZ-ZDUSSCGKSA-N 2 0 252.406 1.434 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001054748995 734604400 /nfs/dbraw/zinc/60/44/00/734604400.db2.gz OQGSMYYVDQQUBY-FZMZJTMJSA-N 2 0 299.846 1.660 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000989728714 734607916 /nfs/dbraw/zinc/60/79/16/734607916.db2.gz SKFPICBKBXIBCK-IYBDPMFKSA-N 2 0 293.455 1.970 20 30 CDEDRP CCCCNC(=[NH2+])NCCC[NH+]1CCC(C)CC1 ZINC000303787574 734610825 /nfs/dbraw/zinc/61/08/25/734610825.db2.gz SNUFITAAMJJKKK-UHFFFAOYSA-N 2 0 254.422 1.813 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031668471 734613146 /nfs/dbraw/zinc/61/31/46/734613146.db2.gz GZZBNRCAHOASNU-HUUCEWRRSA-N 2 0 277.412 1.095 20 30 CDEDRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])NC(C)C)c1 ZINC000303867491 734620925 /nfs/dbraw/zinc/62/09/25/734620925.db2.gz CXYGYMRCZGLDGA-UHFFFAOYSA-N 2 0 262.401 1.951 20 30 CDEDRP C#CCN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+](C)CC1 ZINC000886574752 734657326 /nfs/dbraw/zinc/65/73/26/734657326.db2.gz RPRRIYWIDJPDPG-UHFFFAOYSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000999709470 734815320 /nfs/dbraw/zinc/81/53/20/734815320.db2.gz VDLJDPBDJLYMDB-AWEZNQCLSA-N 2 0 282.347 1.162 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001003011744 734827443 /nfs/dbraw/zinc/82/74/43/734827443.db2.gz RHUNRXZQHCHYBZ-MRXNPFEDSA-N 2 0 291.439 1.463 20 30 CDEDRP CC[NH+]1CCC(CCNC(=[NH2+])NC(C)(C)C)CC1 ZINC000304762574 734870873 /nfs/dbraw/zinc/87/08/73/734870873.db2.gz VVIYSDMJIPADCR-UHFFFAOYSA-N 2 0 254.422 1.811 20 30 CDEDRP N#Cc1ccc(N2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000866702708 734893467 /nfs/dbraw/zinc/89/34/67/734893467.db2.gz AGUSFXCXDLRDOG-UHFFFAOYSA-N 2 0 284.407 1.680 20 30 CDEDRP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001046805315 734912421 /nfs/dbraw/zinc/91/24/21/734912421.db2.gz LCBRJNUIZWNSKJ-SJORKVTESA-N 2 0 291.439 1.629 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001027575787 734915204 /nfs/dbraw/zinc/91/52/04/734915204.db2.gz DVZIACPDUYTGNO-LSDHHAIUSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001040112502 734938296 /nfs/dbraw/zinc/93/82/96/734938296.db2.gz AAQOJFXMDWUPKB-WBVHZDCISA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000999629043 734956663 /nfs/dbraw/zinc/95/66/63/734956663.db2.gz NQONJTVDONVJIE-UHFFFAOYSA-N 2 0 291.439 1.319 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046196416 734968890 /nfs/dbraw/zinc/96/88/90/734968890.db2.gz BUGDHXGQHMQHCC-HOCLYGCPSA-N 2 0 279.428 1.627 20 30 CDEDRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000818981732 734972608 /nfs/dbraw/zinc/97/26/08/734972608.db2.gz XVAXWKKZNVJLPF-WBVHZDCISA-N 2 0 287.407 1.913 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001048875546 734988535 /nfs/dbraw/zinc/98/85/35/734988535.db2.gz BTNXMTMYTFUDDG-ZNMIVQPWSA-N 2 0 279.428 1.149 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001023446173 735011669 /nfs/dbraw/zinc/01/16/69/735011669.db2.gz LJZXCGLDHJVVIU-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025781909 735071744 /nfs/dbraw/zinc/07/17/44/735071744.db2.gz VDPDNDUWAUDZAJ-RFBLXINOSA-N 2 0 289.423 1.093 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001044729382 735180102 /nfs/dbraw/zinc/18/01/02/735180102.db2.gz TXOLUBITLAQGAO-GOEBONIOSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001045554192 735183310 /nfs/dbraw/zinc/18/33/10/735183310.db2.gz PNNDSFYFYWWMQJ-LSDHHAIUSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001038268374 735215571 /nfs/dbraw/zinc/21/55/71/735215571.db2.gz IWDHGUOQYYVLSL-HZSPNIEDSA-N 2 0 265.401 1.093 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023572673 735218374 /nfs/dbraw/zinc/21/83/74/735218374.db2.gz KRFRGPNXTRTOFL-HNNXBMFYSA-N 2 0 291.439 1.180 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001023130520 735251361 /nfs/dbraw/zinc/25/13/61/735251361.db2.gz RUVKVNSRGDHONV-MJBXVCDLSA-N 2 0 299.846 1.850 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049024901 735272200 /nfs/dbraw/zinc/27/22/00/735272200.db2.gz ICPSQDWUEIKFEO-IYBDPMFKSA-N 2 0 291.439 1.295 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H](CC(C)C)[NH+]1CCCC1 ZINC000303775720 735617627 /nfs/dbraw/zinc/61/76/27/735617627.db2.gz GYQXKVAIMRYALM-KGLIPLIRSA-N 2 0 284.448 1.436 20 30 CDEDRP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001032802347 735684445 /nfs/dbraw/zinc/68/44/45/735684445.db2.gz WLCPSJJDHXIEEX-HOTGVXAUSA-N 2 0 289.423 1.171 20 30 CDEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C ZINC001039270240 736101624 /nfs/dbraw/zinc/10/16/24/736101624.db2.gz FXFUTNLJUSQQSC-WTXIUTQJSA-N 2 0 289.423 1.216 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001167241085 894940863 /nfs/dbraw/zinc/94/08/63/894940863.db2.gz ZIAJMUYKEYBOTJ-UHFFFAOYSA-N 2 0 293.455 1.474 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001167480398 896093135 /nfs/dbraw/zinc/09/31/35/896093135.db2.gz CTMWIIHVVZSZJR-UHFFFAOYSA-N 2 0 281.444 1.780 20 30 CDEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001104874286 899607206 /nfs/dbraw/zinc/60/72/06/899607206.db2.gz RWMXEWHWLZSZKL-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127480877 914746109 /nfs/dbraw/zinc/74/61/09/914746109.db2.gz NUEAMBVYWHGNSI-INIZCTEOSA-N 2 0 293.455 1.780 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087569942 905696493 /nfs/dbraw/zinc/69/64/93/905696493.db2.gz TXYUOTWYEDVNNR-XHSDSOJGSA-N 2 0 291.439 1.462 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001088326708 906903722 /nfs/dbraw/zinc/90/37/22/906903722.db2.gz WOHAMQRTNKJUOQ-OAHLLOKOSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001088374964 907028301 /nfs/dbraw/zinc/02/83/01/907028301.db2.gz SWEOHGCNYHDTCG-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001088413464 907128134 /nfs/dbraw/zinc/12/81/34/907128134.db2.gz GSSIMBMBCOYSLE-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nccn3C2)[C@H]1C ZINC001088678011 908769376 /nfs/dbraw/zinc/76/93/76/908769376.db2.gz CEWPMZYHUMTUPM-MCIONIFRSA-N 2 0 288.395 1.211 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001168291228 908916884 /nfs/dbraw/zinc/91/68/84/908916884.db2.gz SCPBQWOATRNKQR-GJZGRUSLSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001168297000 908920686 /nfs/dbraw/zinc/92/06/86/908920686.db2.gz CIVRRZTVDXMFBR-UHFFFAOYSA-N 2 0 293.455 1.925 20 30 CDEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001092736857 909500284 /nfs/dbraw/zinc/50/02/84/909500284.db2.gz ZAXUIJVUYWMGMX-OAGGEKHMSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093195988 909681831 /nfs/dbraw/zinc/68/18/31/909681831.db2.gz ZBGHBVNBARBMKQ-RBSFLKMASA-N 2 0 279.428 1.198 20 30 CDEDRP C[C@H](CCCC#N)[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001172497929 911734306 /nfs/dbraw/zinc/73/43/06/911734306.db2.gz HFQPJERMYZBRHD-OWCLPIDISA-N 2 0 278.444 1.779 20 30 CDEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001182615026 918020896 /nfs/dbraw/zinc/02/08/96/918020896.db2.gz UQQRXRQVTXWZMG-BFYDXBDKSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182683945 918071495 /nfs/dbraw/zinc/07/14/95/918071495.db2.gz HCFDEQRYGGOSIQ-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205255716 918305947 /nfs/dbraw/zinc/30/59/47/918305947.db2.gz KKRCBNUZSRORFO-QGZVFWFLSA-N 2 0 287.407 1.796 20 30 CDEDRP N#Cc1cccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1Cl ZINC001205229158 919216733 /nfs/dbraw/zinc/21/67/33/919216733.db2.gz LKCYOCLDUHSECU-OAHLLOKOSA-N 2 0 293.798 1.887 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001185168839 919451184 /nfs/dbraw/zinc/45/11/84/919451184.db2.gz XTUOCHAPKATNKQ-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)Cc2cncn2C)C[C@@H]1C ZINC001185501977 919633100 /nfs/dbraw/zinc/63/31/00/919633100.db2.gz JYRIQYHJQBSRAB-UONOGXRCSA-N 2 0 290.411 1.223 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001185723557 919731788 /nfs/dbraw/zinc/73/17/88/919731788.db2.gz NNIRADFRPQMRCY-CYBMUJFWSA-N 2 0 267.417 1.341 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187091680 920362812 /nfs/dbraw/zinc/36/28/12/920362812.db2.gz KYYLQMSPLKBIMQ-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001128533062 921980462 /nfs/dbraw/zinc/98/04/62/921980462.db2.gz FTKHOXLADINGHN-ZDUSSCGKSA-N 2 0 273.396 1.338 20 30 CDEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190743922 922169967 /nfs/dbraw/zinc/16/99/67/922169967.db2.gz NSXVHLKQCPWTSM-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2 ZINC001035796873 923047012 /nfs/dbraw/zinc/04/70/12/923047012.db2.gz PYMPPGYVLFDZFT-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192924147 923342205 /nfs/dbraw/zinc/34/22/05/923342205.db2.gz XJOFWEKVWAKDQP-JKSUJKDBSA-N 2 0 293.455 1.519 20 30 CDEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001195283696 924530474 /nfs/dbraw/zinc/53/04/74/924530474.db2.gz GJXUCXSDESHQAE-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001080558739 924597551 /nfs/dbraw/zinc/59/75/51/924597551.db2.gz BCBXPAIWZTWLQH-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001082741088 924991806 /nfs/dbraw/zinc/99/18/06/924991806.db2.gz PFHRKWSYMBZHOB-KWCYVHTRSA-N 2 0 299.846 1.660 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001082942034 925036314 /nfs/dbraw/zinc/03/63/14/925036314.db2.gz ZWBIFEVXCRBGKO-KFWWJZLASA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001199788110 925859596 /nfs/dbraw/zinc/85/95/96/925859596.db2.gz LQAVBNPCKGMFGJ-OAHLLOKOSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085701342 926301023 /nfs/dbraw/zinc/30/10/23/926301023.db2.gz MOBQJANWGDGEPP-OAHLLOKOSA-N 2 0 296.374 1.504 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCCO1 ZINC001202166549 926485736 /nfs/dbraw/zinc/48/57/36/926485736.db2.gz WFGLIEYERPISSF-OAHLLOKOSA-N 2 0 297.443 1.110 20 30 CDEDRP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001085988272 926570924 /nfs/dbraw/zinc/57/09/24/926570924.db2.gz YQLVIXAPJWNYRI-JKSUJKDBSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001085988269 926572429 /nfs/dbraw/zinc/57/24/29/926572429.db2.gz YQLVIXAPJWNYRI-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001086412168 927095766 /nfs/dbraw/zinc/09/57/66/927095766.db2.gz NJRHDICWGACDMK-HDJSIYSDSA-N 2 0 298.390 1.927 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001086465404 927157198 /nfs/dbraw/zinc/15/71/98/927157198.db2.gz BLVTZLMXRPDLFK-CTYIDZIISA-N 2 0 279.428 1.389 20 30 CDEDRP C=C(C)CN1CCO[C@@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001108421227 927551331 /nfs/dbraw/zinc/55/13/31/927551331.db2.gz ILMGJKIOUWNXGC-INIZCTEOSA-N 2 0 297.443 1.110 20 30 CDEDRP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CCC)C1 ZINC001111952548 937258348 /nfs/dbraw/zinc/25/83/48/937258348.db2.gz MXAZIUCFCQFGLB-RDJZCZTQSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001112285428 937292012 /nfs/dbraw/zinc/29/20/12/937292012.db2.gz XCQJKQNXUPENIU-UXLLHSPISA-N 2 0 291.439 1.485 20 30 CDEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CCC)C2 ZINC001112567225 929184395 /nfs/dbraw/zinc/18/43/95/929184395.db2.gz CUIJNLLOPFGHMU-RDJZCZTQSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152148472 937339569 /nfs/dbraw/zinc/33/95/69/937339569.db2.gz QELHMQFGJWMNKN-STQMWFEESA-N 2 0 253.390 1.141 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001152451626 937362945 /nfs/dbraw/zinc/36/29/45/937362945.db2.gz BADFYVDTSYLRQH-CYBMUJFWSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181054 930087096 /nfs/dbraw/zinc/08/70/96/930087096.db2.gz LONHQWFGBFBEEJ-ZIAGYGMSSA-N 2 0 281.444 1.920 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135613665 930297108 /nfs/dbraw/zinc/29/71/08/930297108.db2.gz HGVXHYLBKORBSN-GJZGRUSLSA-N 2 0 293.455 1.615 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135934551 930548557 /nfs/dbraw/zinc/54/85/57/930548557.db2.gz KMBQRJFMVCBDES-CHWSQXEVSA-N 2 0 290.411 1.820 20 30 CDEDRP C#CCN1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000886209656 930827073 /nfs/dbraw/zinc/82/70/73/930827073.db2.gz RJYFUZHLCUHIJG-HUUCEWRRSA-N 2 0 263.429 1.546 20 30 CDEDRP C=CCC[C@@H](O)C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245983206 930848087 /nfs/dbraw/zinc/84/80/87/930848087.db2.gz ULBXLBHSSGXEDA-UONOGXRCSA-N 2 0 252.402 1.825 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001171060205 931468318 /nfs/dbraw/zinc/46/83/18/931468318.db2.gz IYIAQVWBFIRMOL-GJZGRUSLSA-N 2 0 299.434 1.564 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171160257 931754189 /nfs/dbraw/zinc/75/41/89/931754189.db2.gz DOABQWQYMIZJKK-HUUCEWRRSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171254557 932143845 /nfs/dbraw/zinc/14/38/45/932143845.db2.gz UJFKYEAMBYMEJK-ZFWWWQNUSA-N 2 0 281.444 1.777 20 30 CDEDRP C#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c1 ZINC001276096312 932523674 /nfs/dbraw/zinc/52/36/74/932523674.db2.gz GDMFEIUGKDRSIX-KDURUIRLSA-N 2 0 297.446 1.878 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH]cn3)C[C@]2(C)C1 ZINC001091724797 932728603 /nfs/dbraw/zinc/72/86/03/932728603.db2.gz PAHXOSSDFOFMQY-CJNGLKHVSA-N 2 0 288.395 1.309 20 30 CDEDRP C=CCCC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001148551408 932737764 /nfs/dbraw/zinc/73/77/64/932737764.db2.gz KFWCIUWZFKHEDL-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001490841152 934361013 /nfs/dbraw/zinc/36/10/13/934361013.db2.gz GEIHPVWCQKEBIU-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC001120536941 937807639 /nfs/dbraw/zinc/80/76/39/937807639.db2.gz SQNVDGPMGKUBGL-HUUCEWRRSA-N 2 0 294.443 1.100 20 30 CDEDRP C=C[C@H](O)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001253597911 935312563 /nfs/dbraw/zinc/31/25/63/935312563.db2.gz KYVZNHNAAYWAIQ-AWEZNQCLSA-N 2 0 264.369 1.264 20 30 CDEDRP CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001096013364 935879457 /nfs/dbraw/zinc/87/94/57/935879457.db2.gz JCVPKWRCSNFZFW-FZKCQIBNSA-N 2 0 289.423 1.216 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC001121971352 937895480 /nfs/dbraw/zinc/89/54/80/937895480.db2.gz ABQMRBFWLLVGRN-ILXRZTDVSA-N 2 0 279.428 1.613 20 30 CDEDRP C#CC[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001122101620 937905332 /nfs/dbraw/zinc/90/53/32/937905332.db2.gz SSUKOAIRQNOYTD-UHFFFAOYSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CC[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)CCC ZINC001156510971 938378047 /nfs/dbraw/zinc/37/80/47/938378047.db2.gz WRSRZEWPLXXTAA-CQSZACIVSA-N 2 0 269.433 1.731 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159993305 938763951 /nfs/dbraw/zinc/76/39/51/938763951.db2.gz WTDHHKYKADFRAM-UHFFFAOYSA-N 2 0 273.808 1.319 20 30 CDEDRP C=C(C)CN(CC)C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160687837 938814377 /nfs/dbraw/zinc/81/43/77/938814377.db2.gz JHOJAWQQXDVOSY-CYBMUJFWSA-N 2 0 265.401 1.285 20 30 CDEDRP COc1nc(-n2cc(CC[NH3+])c3c[nH+]ccc32)ncc1C#N ZINC001160945570 938848134 /nfs/dbraw/zinc/84/81/34/938848134.db2.gz FZUROGGVYOAEOD-UHFFFAOYSA-N 2 0 294.318 1.197 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161859211 938936479 /nfs/dbraw/zinc/93/64/79/938936479.db2.gz CSFHTHAZQUVQRF-UHFFFAOYSA-N 2 0 292.770 1.796 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165253922 939534372 /nfs/dbraw/zinc/53/43/72/939534372.db2.gz LHBAXJSOZORXGI-UHFFFAOYSA-N 2 0 273.808 1.177 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001165464574 939566611 /nfs/dbraw/zinc/56/66/11/939566611.db2.gz GMNYOHVKXSRQGF-UHFFFAOYSA-N 2 0 291.439 1.370 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001166446193 939608981 /nfs/dbraw/zinc/60/89/81/939608981.db2.gz AFWVRTFLOWFLIU-CQSZACIVSA-N 2 0 267.417 1.226 20 30 CDEDRP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203728650 939701990 /nfs/dbraw/zinc/70/19/90/939701990.db2.gz AJPVAJOWXQYSAU-HUUCEWRRSA-N 2 0 291.439 1.675 20 30 CDEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001204798808 939792065 /nfs/dbraw/zinc/79/20/65/939792065.db2.gz ONASTZPAVCKQQF-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001205457569 939891072 /nfs/dbraw/zinc/89/10/72/939891072.db2.gz FHNRGQMBTZTGFV-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP N#CCc1ccccc1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205725253 939926722 /nfs/dbraw/zinc/92/67/22/939926722.db2.gz FMPGBZJNLKCLDJ-INIZCTEOSA-N 2 0 273.380 1.428 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001206061776 939973686 /nfs/dbraw/zinc/97/36/86/939973686.db2.gz PFKCSYYVKVXSIX-UHFFFAOYSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001206282708 940010939 /nfs/dbraw/zinc/01/09/39/940010939.db2.gz WSLHUGNCCNMAPN-ZBFHGGJFSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001207263512 940173642 /nfs/dbraw/zinc/17/36/42/940173642.db2.gz UTGMEGSQOWMZBY-MGPQQGTHSA-N 2 0 285.407 1.289 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001209588821 940613653 /nfs/dbraw/zinc/61/36/53/940613653.db2.gz KARKEZISDBRMLO-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001210175284 940669388 /nfs/dbraw/zinc/66/93/88/940669388.db2.gz MIAMAIQFSUKNBC-MRXNPFEDSA-N 2 0 293.455 1.712 20 30 CDEDRP N#Cc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(O)c1 ZINC001210266836 940677556 /nfs/dbraw/zinc/67/75/56/940677556.db2.gz RHWZYBCWCLAHLB-UHFFFAOYSA-N 2 0 295.346 1.812 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210744434 940710012 /nfs/dbraw/zinc/71/00/12/940710012.db2.gz QIZFXQOVDBFMRP-HNNXBMFYSA-N 2 0 279.428 1.322 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215397110 940883640 /nfs/dbraw/zinc/88/36/40/940883640.db2.gz TXOVGQUWDRBPTB-FXUDXRNXSA-N 2 0 291.439 1.177 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)C[C@H]1C ZINC001215854462 940910973 /nfs/dbraw/zinc/91/09/73/940910973.db2.gz GBQRCTUKZHXZGR-GZBFAFLISA-N 2 0 288.395 1.048 20 30 CDEDRP Cc1cc(C#N)c(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)s1 ZINC001218554466 941236096 /nfs/dbraw/zinc/23/60/96/941236096.db2.gz JRUMQNSGNMLCAD-NSHDSACASA-N 2 0 278.381 1.194 20 30 CDEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccc([C@@H](C)C#N)cc1 ZINC001218871438 941282048 /nfs/dbraw/zinc/28/20/48/941282048.db2.gz LUYAJESZNWWFTA-WFASDCNBSA-N 2 0 288.395 1.969 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)N[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001220162730 941418770 /nfs/dbraw/zinc/41/87/70/941418770.db2.gz LINPRWRECKSJGS-CWRNSKLLSA-N 2 0 277.412 1.333 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001223473017 941679988 /nfs/dbraw/zinc/67/99/88/941679988.db2.gz ZZXMGZGDPCNXTN-MRXNPFEDSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001225543508 941876777 /nfs/dbraw/zinc/87/67/77/941876777.db2.gz VGBNTWOHSYQDML-GASCZTMLSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001226931911 942096351 /nfs/dbraw/zinc/09/63/51/942096351.db2.gz FBGUIYQUXATVNI-KFWWJZLASA-N 2 0 279.428 1.223 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001227797898 942225734 /nfs/dbraw/zinc/22/57/34/942225734.db2.gz OVLIXXPEAIQZOZ-INIZCTEOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001316604426 942462636 /nfs/dbraw/zinc/46/26/36/942462636.db2.gz MASIXCZXFFVBOH-GJZGRUSLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001230354484 942610686 /nfs/dbraw/zinc/61/06/86/942610686.db2.gz BPBWMQVOBADKPG-UHFFFAOYSA-N 2 0 279.428 1.629 20 30 CDEDRP Cc1c[nH+]ccc1N1CCN(Cc2cc(C#N)ccn2)CC1 ZINC001232482597 943295922 /nfs/dbraw/zinc/29/59/22/943295922.db2.gz ZKAGKKBHZHSZRK-UHFFFAOYSA-N 2 0 293.374 1.979 20 30 CDEDRP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC#N ZINC001277945221 944156337 /nfs/dbraw/zinc/15/63/37/944156337.db2.gz RBYAWKFDVIBFPO-GOOCMWNKSA-N 2 0 264.417 1.437 20 30 CDEDRP C#Cc1ccc(CN(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)cc1 ZINC001236932479 944618953 /nfs/dbraw/zinc/61/89/53/944618953.db2.gz NHTKHPBSTGDXBP-SFHVURJKSA-N 2 0 285.435 1.784 20 30 CDEDRP CN(C)C1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CC[NH+](C)CC1 ZINC001254638431 947566614 /nfs/dbraw/zinc/56/66/14/947566614.db2.gz YHLJEZBXZFPDFI-KGLIPLIRSA-N 2 0 264.417 1.294 20 30 CDEDRP C#CCCC[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256678156 948390354 /nfs/dbraw/zinc/39/03/54/948390354.db2.gz SGPTZKVPTCAOMN-UHFFFAOYSA-N 2 0 250.386 1.633 20 30 CDEDRP N#CCC[N@H+](C1CCCC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246770724 948430128 /nfs/dbraw/zinc/43/01/28/948430128.db2.gz RUTPNAWHRUUAIS-AWEZNQCLSA-N 2 0 262.401 1.239 20 30 CDEDRP C#CCN1CCN([C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256922613 948458869 /nfs/dbraw/zinc/45/88/69/948458869.db2.gz MIGBGZOJYSCCKD-KRWDZBQOSA-N 2 0 275.440 1.644 20 30 CDEDRP N#C[C@@H]1C[C@@H]([N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)CCN1 ZINC001246934869 948530065 /nfs/dbraw/zinc/53/00/65/948530065.db2.gz CJDNGDZNXLXXFB-VYDXJSESSA-N 2 0 290.455 1.875 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]C1CC[NH+](C(CC)CC)CC1 ZINC001252492019 951363862 /nfs/dbraw/zinc/36/38/62/951363862.db2.gz VERDYXFGYDLUNA-INIZCTEOSA-N 2 0 284.444 1.793 20 30 CDEDRP C=CCC[C@@H](O)CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001252592588 951487004 /nfs/dbraw/zinc/48/70/04/951487004.db2.gz WUYYYAUEUCMCGD-CQSZACIVSA-N 2 0 290.411 1.572 20 30 CDEDRP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1CC[C@@H](C#N)CC1 ZINC001253205996 951803275 /nfs/dbraw/zinc/80/32/75/951803275.db2.gz IMJCQFCVVFJKCZ-HZSPNIEDSA-N 2 0 253.390 1.361 20 30 CDEDRP C=C[C@H](O)C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001253567216 951958020 /nfs/dbraw/zinc/95/80/20/951958020.db2.gz LQSGXPRHYMMZNV-INIZCTEOSA-N 2 0 282.428 1.358 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCC1 ZINC001421753353 955525172 /nfs/dbraw/zinc/52/51/72/955525172.db2.gz LJFNGJGYZXQBEO-UHFFFAOYSA-N 2 0 299.846 1.852 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC001340853568 963156787 /nfs/dbraw/zinc/15/67/87/963156787.db2.gz OCCWLWIGDXRSRA-AAEUAGOBSA-N 2 0 253.390 1.269 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N(C)C[C@@H](C)[NH3+] ZINC001341488686 963434632 /nfs/dbraw/zinc/43/46/32/963434632.db2.gz NLMGKQFGFCATFF-OLZOCXBDSA-N 2 0 257.422 1.870 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC001343489915 964007730 /nfs/dbraw/zinc/00/77/30/964007730.db2.gz ZNOZOYFLJIFLJD-QNWHQSFQSA-N 2 0 253.390 1.173 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC001343505671 964013206 /nfs/dbraw/zinc/01/32/06/964013206.db2.gz AWWLJHHQZMYTGX-IHRRRGAJSA-N 2 0 267.417 1.551 20 30 CDEDRP C=CCOCC[NH2+]C1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001100683435 968942175 /nfs/dbraw/zinc/94/21/75/968942175.db2.gz AZRUPCLCKUENOJ-NRXISQOPSA-N 2 0 297.443 1.014 20 30 CDEDRP C[NH+](C)CC(C)(C)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC001356545451 969422331 /nfs/dbraw/zinc/42/23/31/969422331.db2.gz WWKMEXXWVDYJKG-LBPRGKRZSA-N 2 0 255.406 1.465 20 30 CDEDRP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001569662097 1169958983 /nfs/dbraw/zinc/95/89/83/1169958983.db2.gz OISNMXPLTYBABP-WBVHZDCISA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001392076611 977212861 /nfs/dbraw/zinc/21/28/61/977212861.db2.gz VDPGDLFXQJJGKJ-GFCCVEGCSA-N 2 0 287.835 1.660 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001133225989 1163608600 /nfs/dbraw/zinc/60/86/00/1163608600.db2.gz MBGZLFABNXBVJX-HOTGVXAUSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001571630151 1170501547 /nfs/dbraw/zinc/50/15/47/1170501547.db2.gz AVRPQPZRPLMWDT-KGLIPLIRSA-N 2 0 281.444 1.777 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000601005500 342458553 /nfs/dbraw/zinc/45/85/53/342458553.db2.gz UFTGJUHDPCSIGE-AWEZNQCLSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCN(CCc1ccco1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351592610 361783769 /nfs/dbraw/zinc/78/37/69/361783769.db2.gz KUAVWLMRWJKDLG-HNNXBMFYSA-N 2 0 278.396 1.765 20 30 CDEDRP CC[C@@H](C#N)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000593464509 342803760 /nfs/dbraw/zinc/80/37/60/342803760.db2.gz KTAPJGBOCRXTOM-AWEZNQCLSA-N 2 0 282.432 1.268 20 30 CDEDRP C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)C1CC[NH+](C)CC1 ZINC000600723274 342244782 /nfs/dbraw/zinc/24/47/82/342244782.db2.gz BVKSEIXGRHBACS-OCCSQVGLSA-N 2 0 265.401 1.361 20 30 CDEDRP C[N@H+](C[C@@H](O)CC(C)(C)C#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000598618399 343843797 /nfs/dbraw/zinc/84/37/97/343843797.db2.gz XPFFCPZAXHPBDC-IXXDHKBRSA-N 2 0 279.428 1.844 20 30 CDEDRP CC[NH+](CC)CCOCC[NH2+]Cc1cccc(C#N)n1 ZINC000602614254 350132219 /nfs/dbraw/zinc/13/22/19/350132219.db2.gz NIQPCWURXADYHL-UHFFFAOYSA-N 2 0 276.384 1.401 20 30 CDEDRP CC[N@@H+]1CC[C@H](CNC(NCc2ccco2)=[NH+]C)C1 ZINC000264039240 362952614 /nfs/dbraw/zinc/95/26/14/362952614.db2.gz HYPKWKPXKUWJCU-GFCCVEGCSA-N 2 0 264.373 1.286 20 30 CDEDRP COc1ccc(NC(=[NH2+])NC[C@H](C)N(C)C)cc1 ZINC000264129340 362973950 /nfs/dbraw/zinc/97/39/50/362973950.db2.gz XNLJOMSRPVVTBM-JTQLQIEISA-N 2 0 250.346 1.372 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccccn1 ZINC000264123919 362973702 /nfs/dbraw/zinc/97/37/02/362973702.db2.gz RQNMOIWFMYYBFD-AWEZNQCLSA-N 2 0 275.400 1.013 20 30 CDEDRP C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000644636125 366282439 /nfs/dbraw/zinc/28/24/39/366282439.db2.gz VZMWFVUHPHHYRL-AWEZNQCLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000494707951 366510711 /nfs/dbraw/zinc/51/07/11/366510711.db2.gz IIJFZCDGSQCCBB-ZDUSSCGKSA-N 2 0 265.401 1.285 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)C(C)C ZINC000165196261 363625911 /nfs/dbraw/zinc/62/59/11/363625911.db2.gz XIFYKZXVABRZTG-HOTGVXAUSA-N 2 0 293.455 1.801 20 30 CDEDRP C=CCN1CC[C@@H](N(C)C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000337188316 360031802 /nfs/dbraw/zinc/03/18/02/360031802.db2.gz QGVJHXLYTABSLY-UONOGXRCSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CCNC(=O)[C@@H](C)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157180562 360781326 /nfs/dbraw/zinc/78/13/26/360781326.db2.gz DDIGBRGOLOFRQA-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP [NH2+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)Nc1ccccn1 ZINC000170905416 365158219 /nfs/dbraw/zinc/15/82/19/365158219.db2.gz BOCATZUNKAZZQK-LLVKDONJSA-N 2 0 259.357 1.293 20 30 CDEDRP CC[C@@H](CNC(=[NH2+])Nc1ccccn1)[NH+]1CCCC1 ZINC000170912878 365162349 /nfs/dbraw/zinc/16/23/49/365162349.db2.gz OWCNYNLZUMEDCL-LBPRGKRZSA-N 2 0 261.373 1.683 20 30 CDEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343929309 379022000 /nfs/dbraw/zinc/02/20/00/379022000.db2.gz JCBVPEFQQRDNAN-YESZJQIVSA-N 2 0 295.471 1.271 20 30 CDEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)o1)CN1CC[NH+](C)CC1 ZINC000174349653 379457558 /nfs/dbraw/zinc/45/75/58/379457558.db2.gz AYLVDXWFRAXUNS-ZDUSSCGKSA-N 2 0 276.384 1.124 20 30 CDEDRP CC(C)CNC(=[NH2+])NCc1ccc(OCC[NH+](C)C)cc1 ZINC000104162971 390486200 /nfs/dbraw/zinc/48/62/00/390486200.db2.gz SNRDISVCPVYMCW-UHFFFAOYSA-N 2 0 292.427 1.687 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000351753505 391090146 /nfs/dbraw/zinc/09/01/46/391090146.db2.gz WDECKYJTRIEYGR-CVEARBPZSA-N 2 0 265.445 1.910 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362801003 391132818 /nfs/dbraw/zinc/13/28/18/391132818.db2.gz JYLSNCKOPSOHAP-ZFWWWQNUSA-N 2 0 279.428 1.341 20 30 CDEDRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000219309845 140167215 /nfs/dbraw/zinc/16/72/15/140167215.db2.gz DXMHCROVGHYAJX-CYBMUJFWSA-N 2 0 261.369 1.787 20 30 CDEDRP Cn1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1C#N ZINC000335810302 151039141 /nfs/dbraw/zinc/03/91/41/151039141.db2.gz OLJQCXYXASCSJZ-UHFFFAOYSA-N 2 0 272.396 1.957 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)c1nccs1 ZINC000273355933 263016084 /nfs/dbraw/zinc/01/60/84/263016084.db2.gz BYUCPUWRAHXMCM-VXGBXAGGSA-N 2 0 295.456 1.635 20 30 CDEDRP CC[NH+](CC)[C@@H](CNC1=[NH+]C[C@@H](C)N1)Cc1ccccc1 ZINC000285159013 263090787 /nfs/dbraw/zinc/09/07/87/263090787.db2.gz SLEDEPGNDBYCQK-GDBMZVCRSA-N 2 0 288.439 1.877 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)C(C)C ZINC000165201013 264210361 /nfs/dbraw/zinc/21/03/61/264210361.db2.gz VXBONYRNEWTCNJ-JKSUJKDBSA-N 2 0 293.455 1.943 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001669385054 1173543375 /nfs/dbraw/zinc/54/33/75/1173543375.db2.gz PIBAGBLUIIAJFC-LLVKDONJSA-N 2 0 261.797 1.175 20 30 CDEDRP Cn1cc(C[NH2+]CCCC[NH+]2CCN(C)CC2)cc1C#N ZINC000579905522 324310402 /nfs/dbraw/zinc/31/04/02/324310402.db2.gz ZCTBDLBWDGBKAG-UHFFFAOYSA-N 2 0 289.427 1.014 20 30 CDEDRP C=CCN(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188273389 329367259 /nfs/dbraw/zinc/36/72/59/329367259.db2.gz WLIFCKZJWOHUAW-INIZCTEOSA-N 2 0 260.381 1.741 20 30 CDEDRP C=CCNC(=[NH2+])NCC1([NH+]2CCSCC2)CCCCC1 ZINC000262292288 330004777 /nfs/dbraw/zinc/00/47/77/330004777.db2.gz HPSDEZQVZHOVFK-UHFFFAOYSA-N 2 0 296.484 1.828 20 30 CDEDRP CN1CCC[NH+]=C1NCC1CC[NH+](C2CC2)CC1 ZINC000263129410 330044913 /nfs/dbraw/zinc/04/49/13/330044913.db2.gz MWDOYDDFPIUEMN-UHFFFAOYSA-N 2 0 250.390 1.142 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC1CC(F)(F)C1 ZINC000263275484 330051360 /nfs/dbraw/zinc/05/13/60/330051360.db2.gz QGSVNFFGJDQPCD-JTQLQIEISA-N 2 0 260.332 1.173 20 30 CDEDRP C=C(C)CC[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423152517 330173237 /nfs/dbraw/zinc/17/32/37/330173237.db2.gz LRGUCROWKIMKAL-CYBMUJFWSA-N 2 0 268.401 1.864 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]([NH3+])C1CCC1)C(C)C ZINC000423325225 330195627 /nfs/dbraw/zinc/19/56/27/330195627.db2.gz BOZSEKZUFCMGDW-JKSUJKDBSA-N 2 0 293.455 1.929 20 30 CDEDRP C[N@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)Cc1ccccc1 ZINC000424155264 330301973 /nfs/dbraw/zinc/30/19/73/330301973.db2.gz MUMBZRPCXHRSKQ-OAHLLOKOSA-N 2 0 288.395 1.256 20 30 CDEDRP CNC(=[NH2+])NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000195523161 331174852 /nfs/dbraw/zinc/17/48/52/331174852.db2.gz UWWUGRPWXRXVPN-UHFFFAOYSA-N 2 0 260.385 1.433 20 30 CDEDRP C=CC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001754944852 1159491488 /nfs/dbraw/zinc/49/14/88/1159491488.db2.gz MAZGEFAPZCSFKH-AWEZNQCLSA-N 2 0 267.417 1.341 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000764608137 575925432 /nfs/dbraw/zinc/92/54/32/575925432.db2.gz BNURSJFPZCNCRK-OLZOCXBDSA-N 2 0 253.390 1.093 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000747403917 576868762 /nfs/dbraw/zinc/86/87/62/576868762.db2.gz APDGGVJHWSHZGY-HUUCEWRRSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)C[N@@H+](CC)C2CC2)CC1 ZINC000750886525 577012921 /nfs/dbraw/zinc/01/29/21/577012921.db2.gz IYMDJSXISGXLBP-UHFFFAOYSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC000965062925 612954249 /nfs/dbraw/zinc/95/42/49/612954249.db2.gz IQHUNUBBYPMPJL-HOUHCIJLSA-N 2 0 289.423 1.121 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970177096 612963772 /nfs/dbraw/zinc/96/37/72/612963772.db2.gz MWVZVABRMZZSAP-HUUCEWRRSA-N 2 0 277.412 1.073 20 30 CDEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000970744488 613247387 /nfs/dbraw/zinc/24/73/87/613247387.db2.gz GCGAMMLNQCFXAN-CQSZACIVSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000969411830 613247924 /nfs/dbraw/zinc/24/79/24/613247924.db2.gz QZKVRGDMJQHSCZ-UKRRQHHQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000969971070 613301972 /nfs/dbraw/zinc/30/19/72/613301972.db2.gz WMQQLXUFAFHDEU-ZFWWWQNUSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977600552 613341717 /nfs/dbraw/zinc/34/17/17/613341717.db2.gz NXZJKXMBJPYHNJ-KGLIPLIRSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000969144269 613490567 /nfs/dbraw/zinc/49/05/67/613490567.db2.gz ICOAMGFTXLSAEW-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000974603067 613609045 /nfs/dbraw/zinc/60/90/45/613609045.db2.gz BGMBFGBOSMBLFN-RBSFLKMASA-N 2 0 291.439 1.177 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC000971711987 613611211 /nfs/dbraw/zinc/61/12/11/613611211.db2.gz HVWKMPFSLYLDTF-LSDHHAIUSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000972154957 613630765 /nfs/dbraw/zinc/63/07/65/613630765.db2.gz RFJPIXRRSZYOOC-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000968781677 613686315 /nfs/dbraw/zinc/68/63/15/613686315.db2.gz OVNOGMSGSSSQLJ-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948388584 613700828 /nfs/dbraw/zinc/70/08/28/613700828.db2.gz JCYDGGUMQSMMHL-BZUAXINKSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974588129 613828185 /nfs/dbraw/zinc/82/81/85/613828185.db2.gz OEETXASKFXEUCB-GJZGRUSLSA-N 2 0 291.439 1.341 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000928656750 620399489 /nfs/dbraw/zinc/39/94/89/620399489.db2.gz CLSBKYXNRJIJKK-OAHLLOKOSA-N 2 0 277.412 1.075 20 30 CDEDRP C[NH+](C)CC1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000042393608 623845268 /nfs/dbraw/zinc/84/52/68/623845268.db2.gz YZTVLJPXCHWFMM-QGZVFWFLSA-N 2 0 287.407 1.865 20 30 CDEDRP C=CC[NH+](CC=C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903716645 626061445 /nfs/dbraw/zinc/06/14/45/626061445.db2.gz APRQBJUMFANTDA-CQSZACIVSA-N 2 0 250.386 1.819 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000911755011 629473804 /nfs/dbraw/zinc/47/38/04/629473804.db2.gz XBPGTIXKGZPYKP-WCQYABFASA-N 2 0 253.390 1.256 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001167232804 1158546355 /nfs/dbraw/zinc/54/63/55/1158546355.db2.gz QLBGRBXKAAAGHU-HNNXBMFYSA-N 2 0 291.439 1.228 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129535426 1162482367 /nfs/dbraw/zinc/48/23/67/1162482367.db2.gz QWBOJXGDVDKCOJ-UHFFFAOYSA-N 2 0 253.390 1.143 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129842550 1162499298 /nfs/dbraw/zinc/49/92/98/1162499298.db2.gz ZZSFIPMUPRXXOB-CYBMUJFWSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130189809 1162566465 /nfs/dbraw/zinc/56/64/65/1162566465.db2.gz SGCLBUSYIIKBQI-LSDHHAIUSA-N 2 0 279.428 1.675 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130622690 1162677055 /nfs/dbraw/zinc/67/70/55/1162677055.db2.gz VJUOHNQYFXSTPN-UHFFFAOYSA-N 2 0 279.428 1.369 20 30 CDEDRP N#Cc1cc(C2=C[NH2+]CCC2)ccc1N1CC[NH2+]CC1 ZINC001243951824 1162701708 /nfs/dbraw/zinc/70/17/08/1162701708.db2.gz FSOBOFQVZOZECN-UHFFFAOYSA-N 2 0 268.364 1.692 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@]2(C)C1 ZINC001101438546 1160394385 /nfs/dbraw/zinc/39/43/85/1160394385.db2.gz FDCWRTUYEYLCSE-ZBFHGGJFSA-N 2 0 279.428 1.295 20 30 CDEDRP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001113629352 1162242062 /nfs/dbraw/zinc/24/20/62/1162242062.db2.gz CNZJHYIKYGWIRW-INIZCTEOSA-N 2 0 293.455 1.829 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001114438460 1165028198 /nfs/dbraw/zinc/02/81/98/1165028198.db2.gz BXZGNDLEPSPHJE-YJNKXOJESA-N 2 0 279.428 1.195 20 30 CDEDRP C=CC[C@]1(C(=O)NC[C@@H]2CCC[N@H+]2CCC)CCC[NH2+]1 ZINC001574892385 1171040270 /nfs/dbraw/zinc/04/02/70/1171040270.db2.gz BRCHJGAILZKLFH-GOEBONIOSA-N 2 0 279.428 1.675 20 30 CDEDRP CC#CC[C@H]([NH3+])C(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC001574961971 1171063335 /nfs/dbraw/zinc/06/33/35/1171063335.db2.gz CBJPTXUBWIZRIH-KBPBESRZSA-N 2 0 267.417 1.354 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001662644776 1172574969 /nfs/dbraw/zinc/57/49/69/1172574969.db2.gz FCUCVWXNTOXOJF-UONOGXRCSA-N 2 0 267.417 1.341 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCCN1C(=O)CC[N@@H+](C)CCC ZINC001699762252 1176612767 /nfs/dbraw/zinc/61/27/67/1176612767.db2.gz ORGCSJRSGJMYMS-OAHLLOKOSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CC[N@@H+](C)CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001752079684 1184818272 /nfs/dbraw/zinc/81/82/72/1184818272.db2.gz DODFTZMRYHLADA-UHFFFAOYSA-N 2 0 289.423 1.986 20 30 CDEDRP C=CCC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001752484726 1184870130 /nfs/dbraw/zinc/87/01/30/1184870130.db2.gz REBZLPPGMZQPKS-UKRRQHHQSA-N 2 0 279.428 1.389 20 30 CDEDRP C=CCC[NH2+]C1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001752855036 1184934510 /nfs/dbraw/zinc/93/45/10/1184934510.db2.gz GBNLOSZBASCCKR-UHFFFAOYSA-N 2 0 281.444 1.920 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001753039600 1185006064 /nfs/dbraw/zinc/00/60/64/1185006064.db2.gz GHYZXNUTZGFQTC-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001753410476 1185192268 /nfs/dbraw/zinc/19/22/68/1185192268.db2.gz YEGLHJQTVOBBSC-OAHLLOKOSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001753448090 1185212420 /nfs/dbraw/zinc/21/24/20/1185212420.db2.gz MQBYHMZCWZZEBW-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001753497933 1185237910 /nfs/dbraw/zinc/23/79/10/1185237910.db2.gz RMPQUMMYHCAFCA-GJZGRUSLSA-N 2 0 281.444 1.921 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001753683649 1185298998 /nfs/dbraw/zinc/29/89/98/1185298998.db2.gz OTSIYCCEIPXSPS-KGLIPLIRSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001753824244 1185345648 /nfs/dbraw/zinc/34/56/48/1185345648.db2.gz WUMXJSVOTGHVAO-MRXNPFEDSA-N 2 0 291.439 1.132 20 30 CDEDRP C=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001754126627 1185477094 /nfs/dbraw/zinc/47/70/94/1185477094.db2.gz GXWAPKLBXQQPNG-GJBLVYBDSA-N 2 0 265.401 1.309 20 30 CDEDRP C=C(C)CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001754532038 1185660599 /nfs/dbraw/zinc/66/05/99/1185660599.db2.gz YEUCWWUZJUXDOQ-CQSZACIVSA-N 2 0 279.428 1.533 20 30 CDEDRP C=C(C)C[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001754683137 1185704898 /nfs/dbraw/zinc/70/48/98/1185704898.db2.gz HWTHJJQFKASHRB-INIZCTEOSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001754730036 1185716522 /nfs/dbraw/zinc/71/65/22/1185716522.db2.gz BSLATDSNKZESSF-WBVHZDCISA-N 2 0 291.439 1.180 20 30 CDEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001754808081 1185736288 /nfs/dbraw/zinc/73/62/88/1185736288.db2.gz XKMCPWMEPVEREC-LSDHHAIUSA-N 2 0 279.428 1.177 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001755110890 1185820356 /nfs/dbraw/zinc/82/03/56/1185820356.db2.gz VFBBXOFFCJEPSM-UONOGXRCSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CC[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001755285143 1185888472 /nfs/dbraw/zinc/88/84/72/1185888472.db2.gz GGONXJGFPDGNNE-UHFFFAOYSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001755572286 1185994599 /nfs/dbraw/zinc/99/45/99/1185994599.db2.gz CLIDXOWBWBCKJF-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001755845791 1186088867 /nfs/dbraw/zinc/08/88/67/1186088867.db2.gz YQZQNJMAIFWISK-OAHLLOKOSA-N 2 0 293.455 1.567 20 30 CDEDRP Cc1ccc(NC(=[NH2+])NCC2([NH+](C)C)CCOCC2)cc1 ZINC000304758286 1186632991 /nfs/dbraw/zinc/63/29/91/1186632991.db2.gz PUJCYOXASMWWAO-UHFFFAOYSA-N 2 0 290.411 1.832 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001018835255 736375454 /nfs/dbraw/zinc/37/54/54/736375454.db2.gz BOFJLPJGAUOMJH-UONOGXRCSA-N 2 0 299.846 1.802 20 30 CDEDRP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001028321109 736423013 /nfs/dbraw/zinc/42/30/13/736423013.db2.gz ZZHLCMUMWGBCQZ-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001031765075 736484548 /nfs/dbraw/zinc/48/45/48/736484548.db2.gz UJBLEGRVAAWSTD-UHFFFAOYSA-N 2 0 291.439 1.487 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998722636 736540890 /nfs/dbraw/zinc/54/08/90/736540890.db2.gz PDTTYQZCKVPEGW-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001045528866 736543818 /nfs/dbraw/zinc/54/38/18/736543818.db2.gz FWXVAYMXDGNZTF-HNNXBMFYSA-N 2 0 291.439 1.465 20 30 CDEDRP C[NH+]=C(NCC(C)(C)OC)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261983611 736554037 /nfs/dbraw/zinc/55/40/37/736554037.db2.gz PNIRWWPSFSGUOY-DGCLKSJQSA-N 2 0 282.432 1.059 20 30 CDEDRP COc1cccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C)C2)c1 ZINC000303900113 738459742 /nfs/dbraw/zinc/45/97/42/738459742.db2.gz RZRABLCTSGHYDG-LLVKDONJSA-N 2 0 262.357 1.374 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001021094558 736693615 /nfs/dbraw/zinc/69/36/15/736693615.db2.gz SNLZLTYXIYXEMI-MGPQQGTHSA-N 2 0 265.401 1.284 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001014501289 736683540 /nfs/dbraw/zinc/68/35/40/736683540.db2.gz ITOWRURJJPHIDC-SOUVJXGZSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033659572 736758550 /nfs/dbraw/zinc/75/85/50/736758550.db2.gz DFYYUAAEEPMNCX-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC000989829301 736830182 /nfs/dbraw/zinc/83/01/82/736830182.db2.gz RAUOYTDPMNZOJD-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001052394769 736831866 /nfs/dbraw/zinc/83/18/66/736831866.db2.gz FFZHVQNERIMZHO-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001014636589 736926590 /nfs/dbraw/zinc/92/65/90/736926590.db2.gz YOBQKQVEHPIYAF-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001027463973 736963713 /nfs/dbraw/zinc/96/37/13/736963713.db2.gz BAEMNZPXYLNQLI-HUUCEWRRSA-N 2 0 277.412 1.027 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001007377952 738474054 /nfs/dbraw/zinc/47/40/54/738474054.db2.gz ZUZRIAABTCVAAD-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C1=CC[N@H+](C)CC1 ZINC000819219969 737266382 /nfs/dbraw/zinc/26/63/82/737266382.db2.gz JHJMPIBWMPVFAA-CXAGYDPISA-N 2 0 285.391 1.832 20 30 CDEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001031665809 737275581 /nfs/dbraw/zinc/27/55/81/737275581.db2.gz HZNXEHDPRCFCJC-MRXNPFEDSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073125652 737303772 /nfs/dbraw/zinc/30/37/72/737303772.db2.gz CZZBPVISSHCJMM-OAHLLOKOSA-N 2 0 291.439 1.439 20 30 CDEDRP COc1ccc(NC(=[NH2+])NCC[NH2+]C(C)(C)C)cc1 ZINC000304764029 737356570 /nfs/dbraw/zinc/35/65/70/737356570.db2.gz XLAYABSFWNDKEE-UHFFFAOYSA-N 2 0 264.373 1.810 20 30 CDEDRP C[NH+](C)[C@H](CNC(=[NH2+])N1CCSCC1)C1CCCCC1 ZINC000261993811 737428114 /nfs/dbraw/zinc/42/81/14/737428114.db2.gz NAGQHFVOVOOCCD-CQSZACIVSA-N 2 0 298.500 1.860 20 30 CDEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])NCCC(C)C ZINC000304824032 737597788 /nfs/dbraw/zinc/59/77/88/737597788.db2.gz FFJDUTPKWUNURE-CYBMUJFWSA-N 2 0 272.437 1.294 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034037714 737646486 /nfs/dbraw/zinc/64/64/86/737646486.db2.gz DVOLKHYIVVIMAD-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071794326 737704614 /nfs/dbraw/zinc/70/46/14/737704614.db2.gz AJPLLXBKPTZCLW-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1 ZINC000134551141 738513840 /nfs/dbraw/zinc/51/38/40/738513840.db2.gz DYNLQMDWOPPIIK-UHFFFAOYSA-N 2 0 291.399 1.002 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1[nH]cnc1C ZINC001049868775 737886957 /nfs/dbraw/zinc/88/69/57/737886957.db2.gz XLWMOOWAQATCTI-LSDHHAIUSA-N 2 0 288.395 1.512 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001072728748 737890969 /nfs/dbraw/zinc/89/09/69/737890969.db2.gz GBTAZDGXQHJQDS-OAHLLOKOSA-N 2 0 291.439 1.580 20 30 CDEDRP C[C@H]1CCCN(C(=[NH2+])NC[C@@H](C2CC2)[NH+](C)C)C1 ZINC000303874764 737900221 /nfs/dbraw/zinc/90/02/21/737900221.db2.gz HIBJVKGQLLUQSA-AAEUAGOBSA-N 2 0 252.406 1.373 20 30 CDEDRP C=CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046564886 737902140 /nfs/dbraw/zinc/90/21/40/737902140.db2.gz HZXWOVGOUWWRNH-RDJZCZTQSA-N 2 0 293.455 1.875 20 30 CDEDRP CCCCCCNC(=[NH2+])NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303769114 738000814 /nfs/dbraw/zinc/00/08/14/738000814.db2.gz AUTDYJPSIILFAA-GASCZTMLSA-N 2 0 298.475 1.970 20 30 CDEDRP C[NH+](C)CCCCCCCNC(=[NH2+])N1CCOCC1 ZINC000303877325 738149290 /nfs/dbraw/zinc/14/92/90/738149290.db2.gz ILXYASHHKTYFGT-UHFFFAOYSA-N 2 0 270.421 1.145 20 30 CDEDRP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001024448474 738528126 /nfs/dbraw/zinc/52/81/26/738528126.db2.gz ONYDTWPKIXCBJV-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015597569 738309843 /nfs/dbraw/zinc/30/98/43/738309843.db2.gz UTPDHPUSUAUYNB-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)CN(CC)C(=O)CN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931428928 738587739 /nfs/dbraw/zinc/58/77/39/738587739.db2.gz COSUOVRKMLCJDM-LSDHHAIUSA-N 2 0 279.428 1.295 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC=C)C2)CC1 ZINC001009628594 738714463 /nfs/dbraw/zinc/71/44/63/738714463.db2.gz QEUAMLVIWYPNQA-INIZCTEOSA-N 2 0 289.423 1.098 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC000985481188 738733342 /nfs/dbraw/zinc/73/33/42/738733342.db2.gz NXDMELASDYYZHA-OAHLLOKOSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999972601 738738002 /nfs/dbraw/zinc/73/80/02/738738002.db2.gz HAVGCVLXTJYSTH-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP Cc1cc(C[NH3+])cc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1 ZINC000884370170 738794166 /nfs/dbraw/zinc/79/41/66/738794166.db2.gz AZQVCZMNQZVQFZ-XOYHFGRZSA-N 2 0 298.390 1.532 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023569886 738815127 /nfs/dbraw/zinc/81/51/27/738815127.db2.gz VSTKZBLJVWUEQN-HNNXBMFYSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001044680601 738815778 /nfs/dbraw/zinc/81/57/78/738815778.db2.gz GLLNQZXTDNKSBV-UKRRQHHQSA-N 2 0 296.374 1.550 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001019593182 738843944 /nfs/dbraw/zinc/84/39/44/738843944.db2.gz NAWRDUVMHPDJFU-HNNXBMFYSA-N 2 0 279.428 1.483 20 30 CDEDRP CCNC(NC[C@@H]1CCC[N@H+](CC2CC2)C1)=[NH+]CC ZINC000853013523 738850759 /nfs/dbraw/zinc/85/07/59/738850759.db2.gz XURNFJXQGADPOG-AWEZNQCLSA-N 2 0 266.433 1.683 20 30 CDEDRP CC[N@H+](CCNC(NCc1ccco1)=[NH+]C)C(C)C ZINC000849001056 739035619 /nfs/dbraw/zinc/03/56/19/739035619.db2.gz WEVSLHXFENJDGR-UHFFFAOYSA-N 2 0 266.389 1.675 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001020214375 738888585 /nfs/dbraw/zinc/88/85/85/738888585.db2.gz QVEHITQXZMCUFA-RBSFLKMASA-N 2 0 279.428 1.674 20 30 CDEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001028235018 739123984 /nfs/dbraw/zinc/12/39/84/739123984.db2.gz NWKUMMIYHWTDOP-INIZCTEOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033661058 738901963 /nfs/dbraw/zinc/90/19/63/738901963.db2.gz KLQBCGZRKQCMBH-KBPBESRZSA-N 2 0 265.401 1.047 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072081152 736381822 /nfs/dbraw/zinc/38/18/22/736381822.db2.gz HIZUIIQUEVFMCY-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001072832444 736502431 /nfs/dbraw/zinc/50/24/31/736502431.db2.gz KAOAMXSGEYOMAY-HNNXBMFYSA-N 2 0 291.439 1.130 20 30 CDEDRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886010434 736622764 /nfs/dbraw/zinc/62/27/64/736622764.db2.gz JDRCSSRGTVAPAO-UONOGXRCSA-N 2 0 265.401 1.315 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001039438391 736810897 /nfs/dbraw/zinc/81/08/97/736810897.db2.gz UBCRLNCNTWHAGB-PMPSAXMXSA-N 2 0 293.455 1.968 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001001238070 736890403 /nfs/dbraw/zinc/89/04/03/736890403.db2.gz NEERPPFXSGMVKY-AWEZNQCLSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001044857843 738950986 /nfs/dbraw/zinc/95/09/86/738950986.db2.gz OHLGFYCYFHAHOV-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049895151 737075977 /nfs/dbraw/zinc/07/59/77/737075977.db2.gz ICNDMBRPAYWLFE-CVEARBPZSA-N 2 0 291.439 1.724 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCCCC[NH+]1CCC(C)CC1 ZINC000303903354 737257144 /nfs/dbraw/zinc/25/71/44/737257144.db2.gz UJNRNRWJSFGDPU-UHFFFAOYSA-N 2 0 266.433 1.979 20 30 CDEDRP C[C@@H]1CCCN(C(=[NH2+])NCC(C)(C)C[NH+](C)C)C1 ZINC000303715022 738953677 /nfs/dbraw/zinc/95/36/77/738953677.db2.gz RVQOPPUAFFVJSJ-GFCCVEGCSA-N 2 0 254.422 1.621 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(C)cc1 ZINC000304748737 737469714 /nfs/dbraw/zinc/46/97/14/737469714.db2.gz HHZRRRPBZBSCRD-INIZCTEOSA-N 2 0 288.439 1.926 20 30 CDEDRP C=CCN(CC=C)C(=O)CN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000931431303 737513981 /nfs/dbraw/zinc/51/39/81/737513981.db2.gz WLMJYJDODBAALQ-CABCVRRESA-N 2 0 277.412 1.071 20 30 CDEDRP C[NH+]=C(NCC1CCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261990148 737514747 /nfs/dbraw/zinc/51/47/47/737514747.db2.gz RDMXCABFCQVXCF-BXUZGUMPSA-N 2 0 264.417 1.434 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001036159996 737582029 /nfs/dbraw/zinc/58/20/29/737582029.db2.gz ISDZXIYFOWKPTN-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](CCC=C)CC1 ZINC001003056377 737584761 /nfs/dbraw/zinc/58/47/61/737584761.db2.gz QPLSOIJGKHFFSH-INIZCTEOSA-N 2 0 289.423 1.241 20 30 CDEDRP C=C(C)[C@@H](CO)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133156 737678731 /nfs/dbraw/zinc/67/87/31/737678731.db2.gz VGGYOQPWALPJEX-UKRRQHHQSA-N 2 0 261.369 1.529 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046196418 737734238 /nfs/dbraw/zinc/73/42/38/737734238.db2.gz BUGDHXGQHMQHCC-ZBFHGGJFSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCC)[C@H]2C)CC1 ZINC000987566557 737746462 /nfs/dbraw/zinc/74/64/62/737746462.db2.gz CBEGJDXRSRHWAQ-GDBMZVCRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001009050650 737891386 /nfs/dbraw/zinc/89/13/86/737891386.db2.gz NCBRJKTYDSJXNS-INIZCTEOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001032094612 737898692 /nfs/dbraw/zinc/89/86/92/737898692.db2.gz LEHSEKWQGWKUJI-UHFFFAOYSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001027414292 737931094 /nfs/dbraw/zinc/93/10/94/737931094.db2.gz MAPRTZDTTPXZMZ-HOTGVXAUSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000856358937 737982619 /nfs/dbraw/zinc/98/26/19/737982619.db2.gz VPIKWYPMKLMKDM-MRXNPFEDSA-N 2 0 287.407 1.495 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](C(C)C)C2)CC1 ZINC001046850515 738042078 /nfs/dbraw/zinc/04/20/78/738042078.db2.gz VKXRKFYBEJARII-KRWDZBQOSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033940671 738115641 /nfs/dbraw/zinc/11/56/41/738115641.db2.gz JXHMFZBIQOLMET-INIZCTEOSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033097526 738125994 /nfs/dbraw/zinc/12/59/94/738125994.db2.gz ZTEYYOKCHAXOLA-QLFBSQMISA-N 2 0 279.428 1.435 20 30 CDEDRP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC001041759661 738235551 /nfs/dbraw/zinc/23/55/51/738235551.db2.gz VBIHJQDNBGVQQL-INIZCTEOSA-N 2 0 288.395 1.453 20 30 CDEDRP C=CC[NH+]1CC[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21 ZINC001042095892 738239953 /nfs/dbraw/zinc/23/99/53/738239953.db2.gz RKEMVHYQWUGUJT-HOCLYGCPSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001000534820 738290475 /nfs/dbraw/zinc/29/04/75/738290475.db2.gz YYGVFLDNPYAAEO-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000985435339 739020892 /nfs/dbraw/zinc/02/08/92/739020892.db2.gz YYKDVYAESMKRBV-MRXNPFEDSA-N 2 0 293.455 1.968 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028004246 739023247 /nfs/dbraw/zinc/02/32/47/739023247.db2.gz WNZAAEDDSTYYGT-OAHLLOKOSA-N 2 0 296.374 1.552 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOCCC(C)C ZINC000303863692 739157271 /nfs/dbraw/zinc/15/72/71/739157271.db2.gz AMTSCIHMUQGHTM-CQSZACIVSA-N 2 0 284.448 1.438 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC001574902601 1167641922 /nfs/dbraw/zinc/64/19/22/1167641922.db2.gz DCYSLUPVZGPHAW-UONOGXRCSA-N 2 0 267.417 1.661 20 30 CDEDRP CC#CC[C@H]([NH3+])C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC001574971870 1167643308 /nfs/dbraw/zinc/64/33/08/1167643308.db2.gz JFNLMUNQGKLUMK-CABCVRRESA-N 2 0 279.428 1.498 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H]1C ZINC001089059653 912554129 /nfs/dbraw/zinc/55/41/29/912554129.db2.gz VHLKDSZXTSFUQX-ILXRZTDVSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001104347213 895876536 /nfs/dbraw/zinc/87/65/36/895876536.db2.gz SRMWAILGJCBPQW-RBSFLKMASA-N 2 0 281.444 1.587 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106633418 914081123 /nfs/dbraw/zinc/08/11/23/914081123.db2.gz KLLRKWFWFXRENJ-BZUAXINKSA-N 2 0 295.471 1.833 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106665376 914116197 /nfs/dbraw/zinc/11/61/97/914116197.db2.gz UMYNWKNCZIBGPJ-BZUAXINKSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001023403741 897552755 /nfs/dbraw/zinc/55/27/55/897552755.db2.gz NNTZHABZOHHTQW-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH2+]C1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001026593146 900004078 /nfs/dbraw/zinc/00/40/78/900004078.db2.gz BLXLUUVHXNKXJW-UHFFFAOYSA-N 2 0 291.439 1.675 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027892705 900950772 /nfs/dbraw/zinc/95/07/72/900950772.db2.gz BCCGDTPFMSNUNL-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCC[NH+]1CCC(C)(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001270919486 905447944 /nfs/dbraw/zinc/44/79/44/905447944.db2.gz LBLBMFWEPPGGPI-HNNXBMFYSA-N 2 0 293.455 1.568 20 30 CDEDRP C[C@H](CNC(=[NH2+])N1CCCCCC1)[N@H+](C)C1CC1 ZINC000305039249 906708791 /nfs/dbraw/zinc/70/87/91/906708791.db2.gz CFEXPDQPWNDKKT-GFCCVEGCSA-N 2 0 252.406 1.660 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001088384137 907077143 /nfs/dbraw/zinc/07/71/43/907077143.db2.gz XRNNVRHLRSPZPL-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC001088748576 909269286 /nfs/dbraw/zinc/26/92/86/909269286.db2.gz LJCZFJZXGVELHQ-CJNGLKHVSA-N 2 0 296.374 1.550 20 30 CDEDRP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H](C)C1 ZINC001092618396 909477559 /nfs/dbraw/zinc/47/75/59/909477559.db2.gz NTUDGIVRSLIEKC-LVQVYYBASA-N 2 0 291.439 1.034 20 30 CDEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001092910110 909533761 /nfs/dbraw/zinc/53/37/61/909533761.db2.gz STUPXYCQVRXZSY-FXUDXRNXSA-N 2 0 291.439 1.034 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127082315 911317416 /nfs/dbraw/zinc/31/74/16/911317416.db2.gz POJSOQPKLGBJMQ-CYBMUJFWSA-N 2 0 253.390 1.141 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178926369 915671849 /nfs/dbraw/zinc/67/18/49/915671849.db2.gz SKXVXXXXGHQWLO-XHSDSOJGSA-N 2 0 291.439 1.463 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H](CC)[NH+](C)C ZINC001179609142 915904011 /nfs/dbraw/zinc/90/40/11/915904011.db2.gz KODRLYOPDOMNAV-HNNXBMFYSA-N 2 0 281.444 1.616 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001180069283 916140508 /nfs/dbraw/zinc/14/05/08/916140508.db2.gz YCJGIRUCIQMBCA-UHFFFAOYSA-N 2 0 279.428 1.534 20 30 CDEDRP CC[C@H](CNC(=[NH2+])N1CCC[C@H](C)C1)[NH+]1CCCC1 ZINC000303887015 935047052 /nfs/dbraw/zinc/04/70/52/935047052.db2.gz KQJVUAZCMFIBFO-UONOGXRCSA-N 2 0 266.433 1.907 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001031850488 916570658 /nfs/dbraw/zinc/57/06/58/916570658.db2.gz CMLPWMXPCJPHEC-UHFFFAOYSA-N 2 0 284.363 1.572 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001054830456 936474283 /nfs/dbraw/zinc/47/42/83/936474283.db2.gz OCIPTRBBQGNLCG-MLGOLLRUSA-N 2 0 298.390 1.879 20 30 CDEDRP C#CCC[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CCCCC1 ZINC001115806409 919554102 /nfs/dbraw/zinc/55/41/02/919554102.db2.gz WJOAORAEPBFYMF-UHFFFAOYSA-N 2 0 293.455 1.760 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185407815 919602591 /nfs/dbraw/zinc/60/25/91/919602591.db2.gz DENOWGWPMWISKB-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001186488727 920036029 /nfs/dbraw/zinc/03/60/29/920036029.db2.gz UBRSFHIESJDCNQ-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071795946 936691870 /nfs/dbraw/zinc/69/18/70/936691870.db2.gz OISJXWBRPDVZLA-ZFWWWQNUSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203028378 936706870 /nfs/dbraw/zinc/70/68/70/936706870.db2.gz MUMCFPPCOYKSDE-KBPBESRZSA-N 2 0 291.439 1.674 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190350687 921972727 /nfs/dbraw/zinc/97/27/27/921972727.db2.gz JFIWLTPAQJYKDH-UONOGXRCSA-N 2 0 265.401 1.045 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001033777281 922364486 /nfs/dbraw/zinc/36/44/86/922364486.db2.gz UMHYDGSYFHYWNT-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CC)C2)CC1 ZINC001034539063 922665925 /nfs/dbraw/zinc/66/59/25/922665925.db2.gz UYYGHMOSRHBWOF-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099334198 936785425 /nfs/dbraw/zinc/78/54/25/936785425.db2.gz FUAFPNQVIDWHNM-HNNXBMFYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170617 922930859 /nfs/dbraw/zinc/93/08/59/922930859.db2.gz OFOSIESDJXFFHW-LSDHHAIUSA-N 2 0 281.444 1.826 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001036091091 923098831 /nfs/dbraw/zinc/09/88/31/923098831.db2.gz JZVXWYFVXIFUHT-LSDHHAIUSA-N 2 0 289.423 1.075 20 30 CDEDRP N#CCNc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001163187802 923408986 /nfs/dbraw/zinc/40/89/86/923408986.db2.gz YJGYWNMQVMHDOT-UHFFFAOYSA-N 2 0 258.369 1.793 20 30 CDEDRP C[C@@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)CC[C@H]1C[NH3+] ZINC001205618624 923418790 /nfs/dbraw/zinc/41/87/90/923418790.db2.gz XSACWAWWVPBSKX-OCCSQVGLSA-N 2 0 260.385 1.704 20 30 CDEDRP C[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)CC[C@@H]1C[NH3+] ZINC001205626816 923564882 /nfs/dbraw/zinc/56/48/82/923564882.db2.gz JMEAQDRWFCQLKR-TZMCWYRMSA-N 2 0 258.369 1.760 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194011385 924013485 /nfs/dbraw/zinc/01/34/85/924013485.db2.gz SAMJYKBZVJCPQH-ZIAGYGMSSA-N 2 0 265.401 1.047 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001079805374 924432498 /nfs/dbraw/zinc/43/24/98/924432498.db2.gz ORPVWSTYLBUZBW-OAGGEKHMSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080786277 924637084 /nfs/dbraw/zinc/63/70/84/924637084.db2.gz FHZBHBIXAKMIGY-ZIAGYGMSSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CCCC[NH+]1CCCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001196172274 924834206 /nfs/dbraw/zinc/83/42/06/924834206.db2.gz WWLVDGATBKVZOX-UHFFFAOYSA-N 2 0 293.455 1.971 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001082544774 924956939 /nfs/dbraw/zinc/95/69/39/924956939.db2.gz QMPQWOGDZXJBFZ-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001198097818 925324606 /nfs/dbraw/zinc/32/46/06/925324606.db2.gz IOAVOECRSPHFKK-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCOCC[NH+]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001198283321 925385323 /nfs/dbraw/zinc/38/53/23/925385323.db2.gz UZGOXKRKEBNJSX-UHFFFAOYSA-N 2 0 297.443 1.064 20 30 CDEDRP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@H]21 ZINC001084973284 925531411 /nfs/dbraw/zinc/53/14/11/925531411.db2.gz FJBRFFVSHDDAEO-PMPSAXMXSA-N 2 0 289.423 1.027 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001085675492 926267148 /nfs/dbraw/zinc/26/71/48/926267148.db2.gz UDLKLPYBTUZWJS-HUUCEWRRSA-N 2 0 277.412 1.027 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102600870 937067950 /nfs/dbraw/zinc/06/79/50/937067950.db2.gz ZLJFYMSMJBWCKI-HZPDHXFCSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001086085500 926676588 /nfs/dbraw/zinc/67/65/88/926676588.db2.gz HTRLLJNLIPMSHJ-LVQVYYBASA-N 2 0 291.439 1.531 20 30 CDEDRP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001103158005 937125693 /nfs/dbraw/zinc/12/56/93/937125693.db2.gz NVANYXVAPFIAQD-HUUCEWRRSA-N 2 0 293.455 1.424 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086456267 927150318 /nfs/dbraw/zinc/15/03/18/927150318.db2.gz YLTWELISOZPCCN-BZUAXINKSA-N 2 0 293.455 1.779 20 30 CDEDRP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001103754790 937153877 /nfs/dbraw/zinc/15/38/77/937153877.db2.gz XYCJWBDEYZPWNW-HUUCEWRRSA-N 2 0 279.428 1.034 20 30 CDEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110666549 928016392 /nfs/dbraw/zinc/01/63/92/928016392.db2.gz PMICJYXLLGCKKN-WCVJEAGWSA-N 2 0 289.423 1.071 20 30 CDEDRP C[C@@H]1C[N@H+](Cc2cc(C#N)ccn2)CCC[C@@H]1C[NH3+] ZINC001206011744 928042830 /nfs/dbraw/zinc/04/28/30/928042830.db2.gz FYMPQPWMQOYDAC-TZMCWYRMSA-N 2 0 258.369 1.760 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+](CC)CC)C2 ZINC001108784030 928635960 /nfs/dbraw/zinc/63/59/60/928635960.db2.gz HVTDTKWICOZGSP-ZNMIVQPWSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109402460 928920980 /nfs/dbraw/zinc/92/09/80/928920980.db2.gz QVGYHVGWWNMWIT-CBBWQLFWSA-N 2 0 277.412 1.234 20 30 CDEDRP CN(C)/C=[NH+]/c1ccc(NC[C@@H]2COCC[NH2+]2)cc1C#N ZINC001170044421 929137915 /nfs/dbraw/zinc/13/79/15/929137915.db2.gz LFYBPZXRYVWOSF-HIPSJFSSSA-N 2 0 287.367 1.180 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[C@H](C)n1ccnc1 ZINC001134498836 929774318 /nfs/dbraw/zinc/77/43/18/929774318.db2.gz PNXRCNITGIFRSA-KGLIPLIRSA-N 2 0 278.400 1.895 20 30 CDEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152392352 937358857 /nfs/dbraw/zinc/35/88/57/937358857.db2.gz NQYGDXAFYJYOBW-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135314759 930150869 /nfs/dbraw/zinc/15/08/69/930150869.db2.gz GSDHTWFWKNYTDT-CABCVRRESA-N 2 0 299.459 1.404 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135688635 930362035 /nfs/dbraw/zinc/36/20/35/930362035.db2.gz YUWSHHUPMDNBIR-UHFFFAOYSA-N 2 0 253.390 1.000 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCCCC1 ZINC001115696355 937413707 /nfs/dbraw/zinc/41/37/07/937413707.db2.gz RMHJBUSXWRDYFN-UHFFFAOYSA-N 2 0 293.455 1.923 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135981017 930581258 /nfs/dbraw/zinc/58/12/58/930581258.db2.gz WILXXYBGHLPICY-ZIAGYGMSSA-N 2 0 267.417 1.224 20 30 CDEDRP N#Cc1c2c(cnc1N[C@@H]([NH3+])CCC[NH3+])CCCC2 ZINC001159788994 930857480 /nfs/dbraw/zinc/85/74/80/930857480.db2.gz PIRKLYJPVSLPHG-CYBMUJFWSA-N 2 0 259.357 1.268 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153850831 937476963 /nfs/dbraw/zinc/47/69/63/937476963.db2.gz GKLUYSDHDZQOJF-CYBMUJFWSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854518 937477355 /nfs/dbraw/zinc/47/73/55/937477355.db2.gz GXNFZWYAZOCUJN-CQSZACIVSA-N 2 0 279.428 1.321 20 30 CDEDRP C[C@H]1CCCN(C(=[NH2+])NCCCC[NH+]2CCN(C)CC2)C1 ZINC000104169869 931322560 /nfs/dbraw/zinc/32/25/60/931322560.db2.gz DQQHPBUTNDJYNG-HNNXBMFYSA-N 2 0 295.475 1.061 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001202773007 931451045 /nfs/dbraw/zinc/45/10/45/931451045.db2.gz XMXBDTYPCGMXIS-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCCCCC[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171204777 931954465 /nfs/dbraw/zinc/95/44/65/931954465.db2.gz FZWJFWLOOQVZSD-UHFFFAOYSA-N 2 0 299.459 1.407 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154473727 937547739 /nfs/dbraw/zinc/54/77/39/937547739.db2.gz NZTCSYPOZAJDCK-OAHLLOKOSA-N 2 0 293.455 1.711 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146533961 932262178 /nfs/dbraw/zinc/26/21/78/932262178.db2.gz IBQIATYYEQSKLQ-HZPDHXFCSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146602335 932269550 /nfs/dbraw/zinc/26/95/50/932269550.db2.gz SDAURNZFMJAAPY-ZIAGYGMSSA-N 2 0 269.433 1.776 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146593861 932269616 /nfs/dbraw/zinc/26/96/16/932269616.db2.gz QSOKIXCZZDHLAJ-UONOGXRCSA-N 2 0 267.417 1.223 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCN1C)C2 ZINC001095626057 932732235 /nfs/dbraw/zinc/73/22/35/932732235.db2.gz KDIOJCFLJHGXDW-UGUYLWEFSA-N 2 0 291.439 1.768 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001171367426 932881727 /nfs/dbraw/zinc/88/17/27/932881727.db2.gz MBMMKGWWPTUVSW-GJZGRUSLSA-N 2 0 281.444 1.470 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001018175831 935661505 /nfs/dbraw/zinc/66/15/05/935661505.db2.gz UDXAPMIHYMRTLP-HRCADAONSA-N 2 0 291.439 1.580 20 30 CDEDRP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049535184 936153528 /nfs/dbraw/zinc/15/35/28/936153528.db2.gz YUZPDVZHEUYCNI-PMPSAXMXSA-N 2 0 291.439 1.271 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001049995879 936198571 /nfs/dbraw/zinc/19/85/71/936198571.db2.gz SHRLLPRNIAHOOA-HRCADAONSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001121921632 937890887 /nfs/dbraw/zinc/89/08/87/937890887.db2.gz SFTBRTDBAWFNCX-UONOGXRCSA-N 2 0 265.401 1.271 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001121930602 937891515 /nfs/dbraw/zinc/89/15/15/937891515.db2.gz NTGRJBCEMWAOFL-LSDHHAIUSA-N 2 0 279.428 1.661 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001122020220 937899773 /nfs/dbraw/zinc/89/97/73/937899773.db2.gz FFZLTSOQQCFISN-LSDHHAIUSA-N 2 0 279.428 1.518 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC001122426647 937931372 /nfs/dbraw/zinc/93/13/72/937931372.db2.gz LGAFKUQAVMLDFM-QJPTWQEYSA-N 2 0 251.374 1.056 20 30 CDEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001158090235 938581915 /nfs/dbraw/zinc/58/19/15/938581915.db2.gz PRSOKCSVXTYSPS-MRXNPFEDSA-N 2 0 291.439 1.417 20 30 CDEDRP C[C@H]([NH3+])c1ccn(-c2ncc3c(c2C#N)CCC[NH2+]C3)n1 ZINC001158344474 938610837 /nfs/dbraw/zinc/61/08/37/938610837.db2.gz CZVRVTMMZCKZOO-JTQLQIEISA-N 2 0 282.351 1.194 20 30 CDEDRP C[C@@H]([NH3+])CCNc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001159774648 938751634 /nfs/dbraw/zinc/75/16/34/938751634.db2.gz IVBZUWIMWADXBG-SNVBAGLBSA-N 2 0 259.357 1.138 20 30 CDEDRP N#Cc1c(Cl)nccc1C(F)(F)N[C@@H]([NH3+])CCC[NH3+] ZINC001159778913 938752082 /nfs/dbraw/zinc/75/20/82/938752082.db2.gz BSOGHNGOSXSZMZ-SECBINFHSA-N 2 0 289.717 1.269 20 30 CDEDRP C=CCN(C(=O)C1(N)CC[NH2+]CC1)C1CCCCC1 ZINC001161247806 938881894 /nfs/dbraw/zinc/88/18/94/938881894.db2.gz KZZMEUAZPPOWKV-UHFFFAOYSA-N 2 0 265.401 1.415 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161872722 938938485 /nfs/dbraw/zinc/93/84/85/938938485.db2.gz KSTZIPMUWJRRAN-UHFFFAOYSA-N 2 0 270.336 1.067 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001164578479 939495373 /nfs/dbraw/zinc/49/53/73/939495373.db2.gz CBCKAQLSTZOZTF-ZIAGYGMSSA-N 2 0 279.428 1.389 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001166626780 939620542 /nfs/dbraw/zinc/62/05/42/939620542.db2.gz JDKOKAOHCRNIDJ-CQSZACIVSA-N 2 0 267.417 1.533 20 30 CDEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166971137 939664142 /nfs/dbraw/zinc/66/41/42/939664142.db2.gz IVIGYTMZFARQAG-UHFFFAOYSA-N 2 0 287.835 1.567 20 30 CDEDRP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203729476 939702134 /nfs/dbraw/zinc/70/21/34/939702134.db2.gz GSOUBTNQEALAEX-CABCVRRESA-N 2 0 289.423 1.123 20 30 CDEDRP N#CCOc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001205219779 939837469 /nfs/dbraw/zinc/83/74/69/939837469.db2.gz HQNPAFRWLILURW-INIZCTEOSA-N 2 0 289.379 1.265 20 30 CDEDRP N#Cc1cccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)n1 ZINC001205581443 939905843 /nfs/dbraw/zinc/90/58/43/939905843.db2.gz UDUHSXGQPTZQIT-AWEZNQCLSA-N 2 0 262.332 1.606 20 30 CDEDRP C=CCn1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cn1 ZINC001205618446 939908817 /nfs/dbraw/zinc/90/88/17/939908817.db2.gz WDRWMLBUJRHZHH-DZGCQCFKSA-N 2 0 262.401 1.876 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001205695229 939921574 /nfs/dbraw/zinc/92/15/74/939921574.db2.gz BWCMHBURMBRWCK-UHFFFAOYSA-N 2 0 296.374 1.409 20 30 CDEDRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(C#N)ccn2)CC1 ZINC001206317504 940016963 /nfs/dbraw/zinc/01/69/63/940016963.db2.gz GLEKPBVUOSJQLM-OAHLLOKOSA-N 2 0 258.369 1.904 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208062544 940282034 /nfs/dbraw/zinc/28/20/34/940282034.db2.gz CFTJSBRRYQHUBI-HOTGVXAUSA-N 2 0 291.439 1.485 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001209612519 940616905 /nfs/dbraw/zinc/61/69/05/940616905.db2.gz CFESGFNSWLNPOG-HOTGVXAUSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CCOC(=O)N[C@@H]1CCCN(Cc2c[nH+]ccc2N)C1 ZINC001209733899 940633669 /nfs/dbraw/zinc/63/36/69/940633669.db2.gz VBHZXBHVBYQMPD-CYBMUJFWSA-N 2 0 290.367 1.371 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001209950337 940653634 /nfs/dbraw/zinc/65/36/34/940653634.db2.gz FHYRUYBLPFGPBZ-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000402177768 940889687 /nfs/dbraw/zinc/88/96/87/940889687.db2.gz WXOYYUGXQHSHEJ-UGFHNGPFSA-N 2 0 259.353 1.261 20 30 CDEDRP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000402177767 940889948 /nfs/dbraw/zinc/88/99/48/940889948.db2.gz WXOYYUGXQHSHEJ-KCPJHIHWSA-N 2 0 259.353 1.261 20 30 CDEDRP C#CC[C@]1(C(=O)N[C@H]2C[NH2+]Cc3ccsc32)CCC[NH2+]1 ZINC001219826201 941390159 /nfs/dbraw/zinc/39/01/59/941390159.db2.gz PMBKNKYMAYTJID-SWLSCSKDSA-N 2 0 289.404 1.154 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC1CCC1 ZINC001220868898 941479943 /nfs/dbraw/zinc/47/99/43/941479943.db2.gz YLDIGBBXOPUROH-KBPBESRZSA-N 2 0 265.401 1.271 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001227082520 942129411 /nfs/dbraw/zinc/12/94/11/942129411.db2.gz GUGKUDAMLOQWCN-BZUAXINKSA-N 2 0 291.439 1.511 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](CC)CC ZINC001228558998 942335912 /nfs/dbraw/zinc/33/59/12/942335912.db2.gz JDONDYWRFQHJCJ-OAGGEKHMSA-N 2 0 293.455 1.757 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001282834513 942755781 /nfs/dbraw/zinc/75/57/81/942755781.db2.gz WVQWWFFOFKKIPD-KGLIPLIRSA-N 2 0 281.444 1.585 20 30 CDEDRP C=CCN1CC[C@H]1CN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001234642840 943924842 /nfs/dbraw/zinc/92/48/42/943924842.db2.gz LIMFQWJXHCHGIC-KBPBESRZSA-N 2 0 285.407 1.385 20 30 CDEDRP C=CC[NH2+]CCN1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001235691107 944248681 /nfs/dbraw/zinc/24/86/81/944248681.db2.gz IZVKWLLGKPQXGG-UHFFFAOYSA-N 2 0 273.424 1.888 20 30 CDEDRP C=CCNCC[N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551726 944510093 /nfs/dbraw/zinc/51/00/93/944510093.db2.gz LXNIMFCRBSQLAV-SHTZXODSSA-N 2 0 251.418 1.744 20 30 CDEDRP C=CCCCCCC[C@H](O)C[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246011614 947890498 /nfs/dbraw/zinc/89/04/98/947890498.db2.gz XOFLCGAIGYQCAK-UONOGXRCSA-N 2 0 252.402 1.825 20 30 CDEDRP C=CCOC[C@H](O)C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001246036701 947912566 /nfs/dbraw/zinc/91/25/66/947912566.db2.gz ZCUCKWSEGNFAAA-CVEARBPZSA-N 2 0 282.428 1.404 20 30 CDEDRP N#CCC1CCC([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001246145015 947987481 /nfs/dbraw/zinc/98/74/81/947987481.db2.gz LITAGRAUCNAOAK-UYSNPLJNSA-N 2 0 290.455 1.923 20 30 CDEDRP N#Cc1ccc2c(c1)CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246594997 948328398 /nfs/dbraw/zinc/32/83/98/948328398.db2.gz XCJKVNRUSPDXSU-INIZCTEOSA-N 2 0 282.391 1.010 20 30 CDEDRP C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246770974 948429521 /nfs/dbraw/zinc/42/95/21/948429521.db2.gz UHPRWYYLQHHUAI-OAHLLOKOSA-N 2 0 270.380 1.084 20 30 CDEDRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCCCCCS ZINC001253411441 951896597 /nfs/dbraw/zinc/89/65/97/951896597.db2.gz MVCHCXCFNGSVFR-LBPRGKRZSA-N 2 0 262.463 1.815 20 30 CDEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001349390254 966334258 /nfs/dbraw/zinc/33/42/58/966334258.db2.gz SCLSYPPMGRLHQN-CYBMUJFWSA-N 2 0 265.401 1.143 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001358259676 969714806 /nfs/dbraw/zinc/71/48/06/969714806.db2.gz RDQRKXWVRKKCDY-MGPQQGTHSA-N 2 0 269.433 1.870 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)Cc2c[nH]cn2)CCCC1 ZINC001374173444 973805531 /nfs/dbraw/zinc/80/55/31/973805531.db2.gz TZTRKNUCJGDESL-UHFFFAOYSA-N 2 0 296.802 1.723 20 30 CDEDRP C#CCC[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001508146382 975622334 /nfs/dbraw/zinc/62/23/34/975622334.db2.gz ZKWFQPUKZWFBGT-YMAMQOFZSA-N 2 0 279.428 1.175 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001390610833 976389556 /nfs/dbraw/zinc/38/95/56/976389556.db2.gz UPSNZXVCPJXNSK-CYBMUJFWSA-N 2 0 287.835 1.519 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132250156 1163209421 /nfs/dbraw/zinc/20/94/21/1163209421.db2.gz XRLZYXXLRWZXCP-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP CC#CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132411194 1163279163 /nfs/dbraw/zinc/27/91/63/1163279163.db2.gz VRBYGHGNGRKQFM-HUUCEWRRSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001133276191 1163623875 /nfs/dbraw/zinc/62/38/75/1163623875.db2.gz ZTGRZIZTOODQLU-JKSUJKDBSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001570534500 1170181336 /nfs/dbraw/zinc/18/13/36/1170181336.db2.gz KRNGKRCUPIOWLC-ZIAGYGMSSA-N 2 0 267.417 1.435 20 30 CDEDRP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001571630152 1170501960 /nfs/dbraw/zinc/50/19/60/1170501960.db2.gz AVRPQPZRPLMWDT-ZIAGYGMSSA-N 2 0 281.444 1.777 20 30 CDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001574852436 1171025279 /nfs/dbraw/zinc/02/52/79/1171025279.db2.gz SNOHMXFKEQZPOS-QWHCGFSZSA-N 2 0 285.819 1.589 20 30 CDEDRP CC(C)(C#N)CCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC001575080623 1171105808 /nfs/dbraw/zinc/10/58/08/1171105808.db2.gz DJFRCMYZPGTHBP-AWEZNQCLSA-N 2 0 294.443 1.636 20 30 CDEDRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC001575452072 1171176566 /nfs/dbraw/zinc/17/65/66/1171176566.db2.gz BWQBXHOSEPYWRE-ZIAGYGMSSA-N 2 0 267.417 1.736 20 30 CDEDRP Cc1nc(N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccc1C#N ZINC000589863361 342515904 /nfs/dbraw/zinc/51/59/04/342515904.db2.gz YENPKEOVRPHKLG-HNNXBMFYSA-N 2 0 299.422 1.264 20 30 CDEDRP C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)CN1CC[NH+](C)CC1 ZINC000442800204 362092319 /nfs/dbraw/zinc/09/23/19/362092319.db2.gz ZARVVKJYDGMAFG-QLFBSQMISA-N 2 0 264.417 1.152 20 30 CDEDRP C[C@@H](CCNC(=[NH2+])NC1CC1)[N@H+](C)Cc1ccccc1 ZINC000081781052 342373758 /nfs/dbraw/zinc/37/37/58/342373758.db2.gz JKSFSCOSIPICFP-ZDUSSCGKSA-N 2 0 274.412 1.964 20 30 CDEDRP C[NH+]1CCN(c2cc[nH+]c(NCc3ccc(C#N)o3)c2)CC1 ZINC000601150715 349916283 /nfs/dbraw/zinc/91/62/83/349916283.db2.gz AFYVBYXUSCJHGA-UHFFFAOYSA-N 2 0 297.362 1.910 20 30 CDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449548013 362755920 /nfs/dbraw/zinc/75/59/20/362755920.db2.gz KQUKFPLMCZDAEK-TUVASFSCSA-N 2 0 250.386 1.936 20 30 CDEDRP CC[C@H](CNC(NCc1ccco1)=[NH+]C)[NH+]1CCCC1 ZINC000264050916 362952767 /nfs/dbraw/zinc/95/27/67/362952767.db2.gz MJSMRTWYSRFTNZ-CYBMUJFWSA-N 2 0 278.400 1.819 20 30 CDEDRP C=CCNC(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1 ZINC000264087083 362962692 /nfs/dbraw/zinc/96/26/92/362962692.db2.gz JVSOHMIZLMQHQJ-UHFFFAOYSA-N 2 0 276.384 1.217 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621646457 350688846 /nfs/dbraw/zinc/68/88/46/350688846.db2.gz WNHXSGALFOZHTA-AWEZNQCLSA-N 2 0 279.428 1.533 20 30 CDEDRP CCN(CC)C(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179737800 357222848 /nfs/dbraw/zinc/22/28/48/357222848.db2.gz BKFFLKDAOJJSLO-UHFFFAOYSA-N 2 0 289.427 1.955 20 30 CDEDRP N#Cc1ccc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000135690909 359911690 /nfs/dbraw/zinc/91/16/90/359911690.db2.gz LMMLZMKCKPHBHR-NEPJUHHUSA-N 2 0 277.393 1.573 20 30 CDEDRP C=C[C@H](CC(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccccc1 ZINC000570634697 363835820 /nfs/dbraw/zinc/83/58/20/363835820.db2.gz DXVPOSVDUIYOMJ-GDBMZVCRSA-N 2 0 287.407 1.448 20 30 CDEDRP N#Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000573371582 364045365 /nfs/dbraw/zinc/04/53/65/364045365.db2.gz SLYSTWLQCZNNSP-MRXNPFEDSA-N 2 0 285.391 1.746 20 30 CDEDRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(CC#N)CC2)CC1 ZINC000542877735 368841270 /nfs/dbraw/zinc/84/12/70/368841270.db2.gz ALHLWBAIFCPRNH-UHFFFAOYSA-N 2 0 292.427 1.213 20 30 CDEDRP CN1CC[NH+]=C1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000262663906 370446235 /nfs/dbraw/zinc/44/62/35/370446235.db2.gz NWHDBGGQXITNML-OAHLLOKOSA-N 2 0 272.396 1.542 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652146945 412830688 /nfs/dbraw/zinc/83/06/88/412830688.db2.gz CQOLFNXNZANFAE-UHFFFAOYSA-N 2 0 294.443 1.326 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000237809751 390879836 /nfs/dbraw/zinc/87/98/36/390879836.db2.gz XKJYTWVAGVAISZ-OAHLLOKOSA-N 2 0 273.380 1.453 20 30 CDEDRP CN(C)C(=[NH+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000195290757 391026136 /nfs/dbraw/zinc/02/61/36/391026136.db2.gz GEJVGRISELGUOK-INIZCTEOSA-N 2 0 288.439 1.988 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000362808827 391132885 /nfs/dbraw/zinc/13/28/85/391132885.db2.gz MQKJBIBMLSDJHW-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CCC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375846486 391200763 /nfs/dbraw/zinc/20/07/63/391200763.db2.gz FAKJABPESATIME-INIZCTEOSA-N 2 0 263.429 1.500 20 30 CDEDRP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339437752 391302093 /nfs/dbraw/zinc/30/20/93/391302093.db2.gz GPJRADGWFQBWNM-INIZCTEOSA-N 2 0 292.427 1.166 20 30 CDEDRP C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975797 391371435 /nfs/dbraw/zinc/37/14/35/391371435.db2.gz GBGDNSINEVTCBF-KBPBESRZSA-N 2 0 265.401 1.000 20 30 CDEDRP C=CCCC[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000361014418 391678074 /nfs/dbraw/zinc/67/80/74/391678074.db2.gz ZWHQZDVQIZCNIC-OAHLLOKOSA-N 2 0 251.418 1.664 20 30 CDEDRP C#Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000283955658 391698567 /nfs/dbraw/zinc/69/85/67/391698567.db2.gz IFFWNHHVQGYWJW-IBGZPJMESA-N 2 0 297.446 1.880 20 30 CDEDRP Cn1cc(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1C#N ZINC000191284622 130215952 /nfs/dbraw/zinc/21/59/52/130215952.db2.gz VHDLEYHRYBJFBR-UHFFFAOYSA-N 2 0 289.427 1.012 20 30 CDEDRP C[NH+]=C(NCc1ncccc1C)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262803200 391825377 /nfs/dbraw/zinc/82/53/77/391825377.db2.gz RQFYDRFTWFQUNQ-HNNXBMFYSA-N 2 0 299.422 1.412 20 30 CDEDRP CN(C)C(=[NH+]Cc1cccc(C[NH+](C)C)c1)N(C)C ZINC000261980765 262759688 /nfs/dbraw/zinc/75/96/88/262759688.db2.gz HXMVIQKKZSARIZ-UHFFFAOYSA-N 2 0 262.401 1.727 20 30 CDEDRP COc1ccc(NC(=[NH2+])NCC2([NH+](C)C)CCC2)cc1 ZINC000275638159 263033824 /nfs/dbraw/zinc/03/38/24/263033824.db2.gz OCHLZLOGYSYZKR-UHFFFAOYSA-N 2 0 276.384 1.906 20 30 CDEDRP C[NH+]=C(NCC1(C[NH+](C)C)CCCC1)NC1CC1 ZINC000183646419 264604448 /nfs/dbraw/zinc/60/44/48/264604448.db2.gz UWWQBUKRAIHSAL-UHFFFAOYSA-N 2 0 252.406 1.436 20 30 CDEDRP C#Cc1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000290441183 275721037 /nfs/dbraw/zinc/72/10/37/275721037.db2.gz SGCBCAQCOSOAEF-UHFFFAOYSA-N 2 0 285.435 1.784 20 30 CDEDRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000192931229 282051614 /nfs/dbraw/zinc/05/16/14/282051614.db2.gz VCNAAIHNCZWQBN-CABCVRRESA-N 2 0 278.444 1.684 20 30 CDEDRP C=CCOCCC[NH+]1CCN(c2ncc[nH]2)CC1 ZINC000571460428 328123213 /nfs/dbraw/zinc/12/32/13/328123213.db2.gz SBWUVSABIMYQHS-UHFFFAOYSA-N 2 0 250.346 1.124 20 30 CDEDRP COCCCN(C)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185849222 329333461 /nfs/dbraw/zinc/33/34/61/329333461.db2.gz WYFVNWHRBQOXCA-KBPBESRZSA-N 2 0 253.390 1.627 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCCS1 ZINC000262163660 330001137 /nfs/dbraw/zinc/00/11/37/330001137.db2.gz BLMLVDMINVTLIV-QWHCGFSZSA-N 2 0 284.473 1.661 20 30 CDEDRP C#CCNC(NCC[N@@H+]1CCCC[C@@H]1C)=[NH+]CC ZINC000262609288 330022958 /nfs/dbraw/zinc/02/29/58/330022958.db2.gz AJFMYCXSXFCSKU-ZDUSSCGKSA-N 2 0 250.390 1.049 20 30 CDEDRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424150999 330297033 /nfs/dbraw/zinc/29/70/33/330297033.db2.gz GWTPPZAJLWDHIE-MGPQQGTHSA-N 2 0 280.416 1.387 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000424166232 330309270 /nfs/dbraw/zinc/30/92/70/330309270.db2.gz GOLQHSUQDINILW-LSDHHAIUSA-N 2 0 286.379 1.011 20 30 CDEDRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000447543642 330869320 /nfs/dbraw/zinc/86/93/20/330869320.db2.gz RTLKTQHLUQCEOD-OLZOCXBDSA-N 2 0 251.374 1.115 20 30 CDEDRP C#CCNC(=O)CC[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000491452326 332214160 /nfs/dbraw/zinc/21/41/60/332214160.db2.gz KSCWCXKBOLIJGX-UHFFFAOYSA-N 2 0 291.370 1.116 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=[NH2+])NC1CCCCCC1 ZINC000491735119 332315781 /nfs/dbraw/zinc/31/57/81/332315781.db2.gz CJXCUZUUQJHVBM-UHFFFAOYSA-N 2 0 264.417 1.778 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000491765411 332333852 /nfs/dbraw/zinc/33/38/52/332333852.db2.gz DDAGSUMVUJPZJX-KFWWJZLASA-N 2 0 279.428 1.319 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000491789131 332351267 /nfs/dbraw/zinc/35/12/67/332351267.db2.gz YMZXJTWYWRIWGC-UHFFFAOYSA-N 2 0 294.443 1.114 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000177045418 333053033 /nfs/dbraw/zinc/05/30/33/333053033.db2.gz JZHMTCRFAHEZLA-HIFRSBDPSA-N 2 0 289.423 1.073 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)CCC[NH3+])CC1 ZINC000576004636 335140998 /nfs/dbraw/zinc/14/09/98/335140998.db2.gz GJRJTGUQXDANKM-UHFFFAOYSA-N 2 0 268.405 1.017 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481098201 1159521943 /nfs/dbraw/zinc/52/19/43/1159521943.db2.gz STNBHAVIQMANMN-CABCVRRESA-N 2 0 281.444 1.587 20 30 CDEDRP C=CCCC[NH2+][C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001752884982 1159970876 /nfs/dbraw/zinc/97/08/76/1159970876.db2.gz QZKCRTXIEZZWGE-HNNXBMFYSA-N 2 0 293.455 1.923 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001113300166 1162150756 /nfs/dbraw/zinc/15/07/56/1162150756.db2.gz JQZCKDBPTQQLJN-AWEZNQCLSA-N 2 0 267.417 1.437 20 30 CDEDRP CCCN[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771549985 575589389 /nfs/dbraw/zinc/58/93/89/575589389.db2.gz AJNARDCDWGHABB-UHFFFAOYSA-N 2 0 260.385 1.772 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000764401997 575904303 /nfs/dbraw/zinc/90/43/03/575904303.db2.gz GVWBURLDYQLIOC-UHFFFAOYSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC000969152349 612959802 /nfs/dbraw/zinc/95/98/02/612959802.db2.gz ODOORPXDGNCBPK-CQSZACIVSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977452006 613031335 /nfs/dbraw/zinc/03/13/35/613031335.db2.gz KBAQOQOAFDVLPG-LSDHHAIUSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000980483325 613086851 /nfs/dbraw/zinc/08/68/51/613086851.db2.gz NEWOUFWXSSFWCT-MRXNPFEDSA-N 2 0 299.418 1.528 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCCC)CC2)CC1 ZINC000957776707 613129281 /nfs/dbraw/zinc/12/92/81/613129281.db2.gz PQSFULCODHDIIC-UHFFFAOYSA-N 2 0 291.439 1.276 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC)CC[C@@H]2C)CC1 ZINC000968682830 613132097 /nfs/dbraw/zinc/13/20/97/613132097.db2.gz VLDLMJKBBQWWGJ-HOCLYGCPSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000969144659 613307247 /nfs/dbraw/zinc/30/72/47/613307247.db2.gz QPBUODVVEWQEIM-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000981198118 613310705 /nfs/dbraw/zinc/31/07/05/613310705.db2.gz YAHYULJQXMJSQM-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944171090 613326762 /nfs/dbraw/zinc/32/67/62/613326762.db2.gz WFMPMJDDSDWCNK-HUUCEWRRSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000964379173 613347173 /nfs/dbraw/zinc/34/71/73/613347173.db2.gz XLWLITSLIIQNTE-FHERZECASA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947936726 613533829 /nfs/dbraw/zinc/53/38/29/613533829.db2.gz YAJGBEBCKCITEP-GJZGRUSLSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944171651 613534280 /nfs/dbraw/zinc/53/42/80/613534280.db2.gz ZPVZKFIDJXQRQE-CABCVRRESA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975056631 613806309 /nfs/dbraw/zinc/80/63/09/613806309.db2.gz YAZUKZMCWUIBNQ-ZIAGYGMSSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000981366377 613860269 /nfs/dbraw/zinc/86/02/69/613860269.db2.gz BXUHMWMUEFYAIN-HZPDHXFCSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129410407 1162470953 /nfs/dbraw/zinc/47/09/53/1162470953.db2.gz KUJRTZZGOHVQQY-CYBMUJFWSA-N 2 0 253.390 1.141 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173731 1162564231 /nfs/dbraw/zinc/56/42/31/1162564231.db2.gz MNUKEHHNZQUJDT-UHFFFAOYSA-N 2 0 279.428 1.534 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130558945 1162663889 /nfs/dbraw/zinc/66/38/89/1162663889.db2.gz WDVLZVXGLSZYFC-UHFFFAOYSA-N 2 0 290.411 1.580 20 30 CDEDRP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001024796509 1159434415 /nfs/dbraw/zinc/43/44/15/1159434415.db2.gz CFGMNPKNDUSPBO-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398078664 1160093960 /nfs/dbraw/zinc/09/39/60/1160093960.db2.gz RENFTILJVFPKEJ-NVXWUHKLSA-N 2 0 299.418 1.236 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001224002559 1160682187 /nfs/dbraw/zinc/68/21/87/1160682187.db2.gz JXJWZOMNQAIXQE-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132250159 1163212819 /nfs/dbraw/zinc/21/28/19/1163212819.db2.gz XRLZYXXLRWZXCP-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132311767 1163238561 /nfs/dbraw/zinc/23/85/61/1163238561.db2.gz XTYMMPRSNIMCRT-LSDHHAIUSA-N 2 0 293.455 1.567 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001133083432 1163563162 /nfs/dbraw/zinc/56/31/62/1163563162.db2.gz JZJTYZUNAYRTEB-GOEBONIOSA-N 2 0 293.455 1.588 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001133230780 1163609709 /nfs/dbraw/zinc/60/97/09/1163609709.db2.gz YKDWGVHPDHRHNO-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001133315561 1163638268 /nfs/dbraw/zinc/63/82/68/1163638268.db2.gz UNWDBLFFWDUNND-HOTGVXAUSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001133345938 1163648154 /nfs/dbraw/zinc/64/81/54/1163648154.db2.gz IITZCZJDWZICRK-CVEARBPZSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001716039278 1180013035 /nfs/dbraw/zinc/01/30/35/1180013035.db2.gz QFLHQXNLUAVIRI-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001716163959 1180077378 /nfs/dbraw/zinc/07/73/78/1180077378.db2.gz JMMGHIFPCXHONY-QWHCGFSZSA-N 2 0 253.390 1.141 20 30 CDEDRP C=C(C)CC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001752490075 1184870619 /nfs/dbraw/zinc/87/06/19/1184870619.db2.gz FCGPJSTWQFOHJF-GDBMZVCRSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001752840135 1184928923 /nfs/dbraw/zinc/92/89/23/1184928923.db2.gz HACKNYLGOOMDQI-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001752980911 1184982338 /nfs/dbraw/zinc/98/23/38/1184982338.db2.gz SXXDSAQVXBVNGA-HUUCEWRRSA-N 2 0 279.428 1.369 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001753118402 1185070182 /nfs/dbraw/zinc/07/01/82/1185070182.db2.gz HOSOAYXFMTVECX-CQSZACIVSA-N 2 0 267.417 1.483 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001753130655 1185078266 /nfs/dbraw/zinc/07/82/66/1185078266.db2.gz XBXIBZKUDXWLLS-LSDHHAIUSA-N 2 0 299.434 1.681 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001753138121 1185080980 /nfs/dbraw/zinc/08/09/80/1185080980.db2.gz ICEYYDJVYDSANS-OAHLLOKOSA-N 2 0 279.428 1.180 20 30 CDEDRP C=CC[N@H+](CCC)CCNC(=O)C[NH+]1CCCC1 ZINC001753149546 1185086417 /nfs/dbraw/zinc/08/64/17/1185086417.db2.gz FXBZGQOPPFMTQS-UHFFFAOYSA-N 2 0 253.390 1.096 20 30 CDEDRP C#CC[NH2+][C@@H](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001753278553 1185139198 /nfs/dbraw/zinc/13/91/98/1185139198.db2.gz RJCGVFMSOKXWDZ-AWEZNQCLSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001753295309 1185146648 /nfs/dbraw/zinc/14/66/48/1185146648.db2.gz MDIMNJBBJNHOTL-AWEZNQCLSA-N 2 0 267.417 1.341 20 30 CDEDRP C#CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001753302768 1185148050 /nfs/dbraw/zinc/14/80/50/1185148050.db2.gz JBOCNXGPZGWHJK-JKSUJKDBSA-N 2 0 285.391 1.018 20 30 CDEDRP CCCCCCC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001753414908 1185193880 /nfs/dbraw/zinc/19/38/80/1185193880.db2.gz LXAJJYHHKXZTEB-INIZCTEOSA-N 2 0 295.471 1.957 20 30 CDEDRP C=CC[NH2+]CC[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001753554615 1185253963 /nfs/dbraw/zinc/25/39/63/1185253963.db2.gz COQPBZVRQJVLSI-OAHLLOKOSA-N 2 0 293.455 1.733 20 30 CDEDRP CC#CC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001754290387 1185553782 /nfs/dbraw/zinc/55/37/82/1185553782.db2.gz SNNTZVODGDZDRR-AWEZNQCLSA-N 2 0 291.439 1.226 20 30 CDEDRP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001754320603 1185576036 /nfs/dbraw/zinc/57/60/36/1185576036.db2.gz XUCVUVMZRVRHDO-CQSZACIVSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001754565867 1185666911 /nfs/dbraw/zinc/66/69/11/1185666911.db2.gz OGEWOVPZZHZKHE-QGZVFWFLSA-N 2 0 293.455 1.829 20 30 CDEDRP C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001755269669 1185883160 /nfs/dbraw/zinc/88/31/60/1185883160.db2.gz KRKGEGBBBSSFIS-CABCVRRESA-N 2 0 281.444 1.921 20 30 CDEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001755573162 1185995022 /nfs/dbraw/zinc/99/50/22/1185995022.db2.gz NPTOLUZBTDNSJK-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001755662727 1186028201 /nfs/dbraw/zinc/02/82/01/1186028201.db2.gz GCXWBTRKESRZRO-HUUCEWRRSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001086711669 1163869379 /nfs/dbraw/zinc/86/93/79/1163869379.db2.gz XCVPASAECCOIBN-ARFHVFGLSA-N 2 0 293.455 1.921 20 30 CDEDRP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N[C@@H](C)COC ZINC000303891315 742584853 /nfs/dbraw/zinc/58/48/53/742584853.db2.gz QPPLJOJBJJAKII-KBPBESRZSA-N 2 0 284.448 1.580 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001022611020 739519069 /nfs/dbraw/zinc/51/90/69/739519069.db2.gz YPBNHSGODCCVLW-MCIONIFRSA-N 2 0 288.395 1.177 20 30 CDEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000997182275 739815829 /nfs/dbraw/zinc/81/58/29/739815829.db2.gz VYHKTTZVGFXLTM-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCc3nccn32)C1 ZINC001020239670 739820825 /nfs/dbraw/zinc/82/08/25/739820825.db2.gz CFIOHKTWIISIOE-JHJVBQTASA-N 2 0 274.368 1.183 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001023376938 739743811 /nfs/dbraw/zinc/74/38/11/739743811.db2.gz BZCJYTXVYHJITL-OWCLPIDISA-N 2 0 291.439 1.178 20 30 CDEDRP CCC[N@H+](CC)CCNC(=[NH2+])N1CCCCCC1 ZINC000305051534 739865008 /nfs/dbraw/zinc/86/50/08/739865008.db2.gz HOUJDIVWUUTVGJ-UHFFFAOYSA-N 2 0 254.422 1.909 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001016541225 739987693 /nfs/dbraw/zinc/98/76/93/739987693.db2.gz XPBIMGHZCRDZIQ-KGLIPLIRSA-N 2 0 277.412 1.237 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001015701083 740128859 /nfs/dbraw/zinc/12/88/59/740128859.db2.gz CQOIVEXYIYFRDD-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP CCOCCCNC(=[NH2+])NCC[N@H+](CC)C(C)C ZINC000303991488 740280787 /nfs/dbraw/zinc/28/07/87/740280787.db2.gz ZMICDVZLUPJVLT-UHFFFAOYSA-N 2 0 258.410 1.048 20 30 CDEDRP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032733725 740365219 /nfs/dbraw/zinc/36/52/19/740365219.db2.gz IDNFSRYYNUDFFT-GJZGRUSLSA-N 2 0 289.423 1.334 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001044729385 740398000 /nfs/dbraw/zinc/39/80/00/740398000.db2.gz TXOLUBITLAQGAO-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC(C)(C)C ZINC000303484190 740514110 /nfs/dbraw/zinc/51/41/10/740514110.db2.gz SJCIYDJJQAUTNE-CHWSQXEVSA-N 2 0 282.432 1.203 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001005931350 740522284 /nfs/dbraw/zinc/52/22/84/740522284.db2.gz SGFCSBIMTWEXDB-UHFFFAOYSA-N 2 0 279.428 1.437 20 30 CDEDRP CCN(CC)C(=[NH2+])NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000303867669 740579586 /nfs/dbraw/zinc/57/95/86/740579586.db2.gz ADMXYBRBJQJNIP-OLZOCXBDSA-N 2 0 254.422 1.763 20 30 CDEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000997640892 740878338 /nfs/dbraw/zinc/87/83/38/740878338.db2.gz ANOHRNAFOUOGDQ-GOEBONIOSA-N 2 0 291.439 1.321 20 30 CDEDRP CCO[C@@H](CC[NH+](C)C)CNC(NCc1ccco1)=[NH+]C ZINC000304839367 741001012 /nfs/dbraw/zinc/00/10/12/741001012.db2.gz PHGXPGXILIGCEH-AWEZNQCLSA-N 2 0 296.415 1.301 20 30 CDEDRP C#CC[N@@H+](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000985536227 741009360 /nfs/dbraw/zinc/00/93/60/741009360.db2.gz FIUAYKLMQBQCGT-UHFFFAOYSA-N 2 0 296.374 1.504 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001027465100 741049609 /nfs/dbraw/zinc/04/96/09/741049609.db2.gz RXVRRSBEBPVIME-ZIAGYGMSSA-N 2 0 267.417 1.435 20 30 CDEDRP C=CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C1CCC1 ZINC001049514692 741127648 /nfs/dbraw/zinc/12/76/48/741127648.db2.gz ITOMOTBZCZTEFS-HOTGVXAUSA-N 2 0 291.439 1.722 20 30 CDEDRP CC[NH+](CC)[C@@H](CNC(=[NH2+])N[C@H](C)COC)CC(C)C ZINC000303773748 741139843 /nfs/dbraw/zinc/13/98/43/741139843.db2.gz FKFGFGBTRCUZMT-ZIAGYGMSSA-N 2 0 286.464 1.682 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001019043697 741162292 /nfs/dbraw/zinc/16/22/92/741162292.db2.gz FCFPWZAYMKXIGD-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001050553927 741379018 /nfs/dbraw/zinc/37/90/18/741379018.db2.gz MXPKNVGQIWEZEW-HNNXBMFYSA-N 2 0 291.439 1.130 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031668824 741335451 /nfs/dbraw/zinc/33/54/51/741335451.db2.gz PSSMHHLEEMIYHT-HOTGVXAUSA-N 2 0 291.439 1.485 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000104178910 741342215 /nfs/dbraw/zinc/34/22/15/741342215.db2.gz WDRVCBPDCBQNQP-MCIONIFRSA-N 2 0 298.475 1.682 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1CC ZINC001037859140 741366723 /nfs/dbraw/zinc/36/67/23/741366723.db2.gz IBTDKZCVEJOOIZ-GOEBONIOSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000987192052 741373638 /nfs/dbraw/zinc/37/36/38/741373638.db2.gz OGPZHSVXWMOLMR-YOEHRIQHSA-N 2 0 299.418 1.574 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001008535301 741289560 /nfs/dbraw/zinc/28/95/60/741289560.db2.gz SEKJYHLVHJYJQK-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071873261 741290520 /nfs/dbraw/zinc/29/05/20/741290520.db2.gz UCYFYISEZUMGHH-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCCC[NH+]1CCC(C)CC1 ZINC000104157376 741382349 /nfs/dbraw/zinc/38/23/49/741382349.db2.gz CGPLSDGZTQDVHX-UHFFFAOYSA-N 2 0 252.406 1.589 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC000987569779 741449008 /nfs/dbraw/zinc/44/90/08/741449008.db2.gz INEVKMIXGCZQGZ-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001020719945 741554579 /nfs/dbraw/zinc/55/45/79/741554579.db2.gz SGACFSYVIVQBAG-FPCVCCKLSA-N 2 0 291.439 1.816 20 30 CDEDRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])N2CCSCC2)C1 ZINC000262002777 741637948 /nfs/dbraw/zinc/63/79/48/741637948.db2.gz QJCZQZXGNAKSMW-CYBMUJFWSA-N 2 0 298.500 1.860 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000999876581 741646015 /nfs/dbraw/zinc/64/60/15/741646015.db2.gz ONFQLEYHQXRXNM-NRXISQOPSA-N 2 0 277.412 1.073 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001034014752 741691882 /nfs/dbraw/zinc/69/18/82/741691882.db2.gz CTZKVZQXTIEIGS-OAHLLOKOSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999032048 741863151 /nfs/dbraw/zinc/86/31/51/741863151.db2.gz CRFQBKUJLZWDRY-UYSNPLJNSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC001044826414 741894210 /nfs/dbraw/zinc/89/42/10/741894210.db2.gz ZMRHJVSTBOBARE-UONOGXRCSA-N 2 0 277.412 1.237 20 30 CDEDRP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049552032 742309957 /nfs/dbraw/zinc/30/99/57/742309957.db2.gz SIWOTVVXVRUFGC-ILXRZTDVSA-N 2 0 279.428 1.578 20 30 CDEDRP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041645246 742347379 /nfs/dbraw/zinc/34/73/79/742347379.db2.gz KVQOHZUSEVIFIP-WBVHZDCISA-N 2 0 291.439 1.130 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC000987521188 742356547 /nfs/dbraw/zinc/35/65/47/742356547.db2.gz YNQPAFQWUUJEQY-QWHCGFSZSA-N 2 0 285.819 1.414 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCC[C@H](C)[NH+]1CCCCC1 ZINC000305816416 739258213 /nfs/dbraw/zinc/25/82/13/739258213.db2.gz MLBFGGUCMUBXSX-STQMWFEESA-N 2 0 270.421 1.190 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001019468376 739414463 /nfs/dbraw/zinc/41/44/63/739414463.db2.gz SADCCMQRICFTTD-LSDHHAIUSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046327182 739547878 /nfs/dbraw/zinc/54/78/78/739547878.db2.gz BZSRPBGOWFEDHT-FMKPAKJESA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015091530 739589117 /nfs/dbraw/zinc/58/91/17/739589117.db2.gz WECMQEHNJBJLMK-AWEZNQCLSA-N 2 0 277.412 1.381 20 30 CDEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035851919 739599638 /nfs/dbraw/zinc/59/96/38/739599638.db2.gz NSXKUSPTHZIUSX-HNNXBMFYSA-N 2 0 291.439 1.439 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001038338732 739630343 /nfs/dbraw/zinc/63/03/43/739630343.db2.gz ASQGNJRTAVMHJY-JKSUJKDBSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000994062029 739678155 /nfs/dbraw/zinc/67/81/55/739678155.db2.gz WEBHPHQZXNOLAR-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C ZINC000303774858 739733634 /nfs/dbraw/zinc/73/36/34/739733634.db2.gz GFPDJEWWBTXZCM-GJZGRUSLSA-N 3 0 297.491 1.351 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH+]C)N1CC[C@@]2(CCOC2)C1 ZINC000261981357 739756745 /nfs/dbraw/zinc/75/67/45/739756745.db2.gz OXSOYSCEZBQYJI-GDBMZVCRSA-N 2 0 294.443 1.159 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031765748 739947570 /nfs/dbraw/zinc/94/75/70/739947570.db2.gz NVYIVBCONUGLGS-HZPDHXFCSA-N 2 0 291.439 1.627 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994248499 740033859 /nfs/dbraw/zinc/03/38/59/740033859.db2.gz FIXSHZXJXQBPAP-HUUCEWRRSA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000986823559 740049453 /nfs/dbraw/zinc/04/94/53/740049453.db2.gz JVYOAYCGUNOKLJ-JSGCOSHPSA-N 2 0 299.846 1.660 20 30 CDEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])N1CCCCCC1 ZINC000126108663 740203641 /nfs/dbraw/zinc/20/36/41/740203641.db2.gz HAJLHECVTKYARY-AWEZNQCLSA-N 2 0 284.448 1.534 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(C2CC2)CC1 ZINC000130807187 740262405 /nfs/dbraw/zinc/26/24/05/740262405.db2.gz DBINNYZUQIKYNT-CYBMUJFWSA-N 2 0 264.417 1.565 20 30 CDEDRP C=CCNC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000261756266 740659732 /nfs/dbraw/zinc/65/97/32/740659732.db2.gz KTJRSZJKHIHJOY-LBPRGKRZSA-N 2 0 252.406 1.587 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033940267 740998961 /nfs/dbraw/zinc/99/89/61/740998961.db2.gz GOSMWIRSOROUBZ-OAHLLOKOSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2cncn2C)C1 ZINC000989675405 741092312 /nfs/dbraw/zinc/09/23/12/741092312.db2.gz HHLSPDAGXCLVHM-VXGBXAGGSA-N 2 0 296.802 1.294 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001033703909 741200306 /nfs/dbraw/zinc/20/03/06/741200306.db2.gz KMZKSLIQUCPSMF-CQSZACIVSA-N 2 0 276.384 1.382 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001023275752 741301652 /nfs/dbraw/zinc/30/16/52/741301652.db2.gz SFERCQNWKKANGB-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP N#CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848719402 741378652 /nfs/dbraw/zinc/37/86/52/741378652.db2.gz DHXZQVYEVJMTAZ-KGLIPLIRSA-N 2 0 259.353 1.948 20 30 CDEDRP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001028592398 741383934 /nfs/dbraw/zinc/38/39/34/741383934.db2.gz MDXIPDNRSPVTJR-HZPDHXFCSA-N 2 0 293.455 1.588 20 30 CDEDRP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]cn2)CC1 ZINC001052749245 741570185 /nfs/dbraw/zinc/57/01/85/741570185.db2.gz SWQCQQYQJUTJCO-AWEZNQCLSA-N 2 0 290.411 1.889 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000303871224 741578568 /nfs/dbraw/zinc/57/85/68/741578568.db2.gz BOOTWYPITIFQGX-ZIAGYGMSSA-N 2 0 284.448 1.580 20 30 CDEDRP Cc1nccn1-c1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cn1 ZINC000831818074 741748320 /nfs/dbraw/zinc/74/83/20/741748320.db2.gz LXOMWGADQMCPAH-CYBMUJFWSA-N 2 0 298.350 1.535 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001001418884 741848244 /nfs/dbraw/zinc/84/82/44/741848244.db2.gz OYIYQLMCPNRWHB-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024762037 741886022 /nfs/dbraw/zinc/88/60/22/741886022.db2.gz MCDVSSXZXMYLGW-OAHLLOKOSA-N 2 0 291.439 1.629 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000995924616 741931372 /nfs/dbraw/zinc/93/13/72/741931372.db2.gz IHQSAVHXAIVPAL-GJZGRUSLSA-N 2 0 295.471 1.975 20 30 CDEDRP C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001017942925 742285488 /nfs/dbraw/zinc/28/54/88/742285488.db2.gz VOWJBJXANZLLBI-SOUVJXGZSA-N 2 0 277.412 1.332 20 30 CDEDRP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001033126340 742309376 /nfs/dbraw/zinc/30/93/76/742309376.db2.gz LKZJGVIWLWLIJZ-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001000183743 742505624 /nfs/dbraw/zinc/50/56/24/742505624.db2.gz LXMHBMZCJDXPFD-ZIAGYGMSSA-N 2 0 299.846 1.804 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001050566056 742725081 /nfs/dbraw/zinc/72/50/81/742725081.db2.gz MOGUNXHTBBXWCF-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)[C@H]1C ZINC001074877995 742820191 /nfs/dbraw/zinc/82/01/91/742820191.db2.gz VRHAUYGVUHEUSZ-IHRRRGAJSA-N 2 0 299.846 1.802 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001022076969 742822771 /nfs/dbraw/zinc/82/27/71/742822771.db2.gz GXVBTUXBBMBJNX-KBXIAJHMSA-N 2 0 277.412 1.284 20 30 CDEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000923361986 742830977 /nfs/dbraw/zinc/83/09/77/742830977.db2.gz JNLRPNQVSJIHFP-ZNMIVQPWSA-N 2 0 252.402 1.635 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CCCCC1 ZINC001115573159 894248404 /nfs/dbraw/zinc/24/84/04/894248404.db2.gz KTNJWPNFZIUXON-OAHLLOKOSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206872855 894785707 /nfs/dbraw/zinc/78/57/07/894785707.db2.gz WAVNAKDUIHVMMG-HNNXBMFYSA-N 2 0 279.428 1.342 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001167237184 894932375 /nfs/dbraw/zinc/93/23/75/894932375.db2.gz WPWCRMKPIQXHJF-LSDHHAIUSA-N 2 0 293.455 1.636 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176103235 913959239 /nfs/dbraw/zinc/95/92/39/913959239.db2.gz UCNJYLXJVAUUFO-AWEZNQCLSA-N 2 0 267.417 1.533 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001104294186 895442730 /nfs/dbraw/zinc/44/27/30/895442730.db2.gz BCCZMYYTEFITNK-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176164668 913989437 /nfs/dbraw/zinc/98/94/37/913989437.db2.gz CZHXARRFZOQAAN-CABCVRRESA-N 2 0 281.444 1.779 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089336873 914031889 /nfs/dbraw/zinc/03/18/89/914031889.db2.gz ZDKJFXXWZUAFPE-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001106674403 914124944 /nfs/dbraw/zinc/12/49/44/914124944.db2.gz UOOYFWUGUJCKIA-KFWWJZLASA-N 2 0 279.428 1.034 20 30 CDEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176565126 914181745 /nfs/dbraw/zinc/18/17/45/914181745.db2.gz SREIGGLPSFHEHD-LSDHHAIUSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001167736651 899626619 /nfs/dbraw/zinc/62/66/19/899626619.db2.gz FBKRSYNNUBXOIT-OAHLLOKOSA-N 2 0 291.439 1.228 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106840170 914417993 /nfs/dbraw/zinc/41/79/93/914417993.db2.gz BKXVMXGPQMXKKW-ZIAGYGMSSA-N 2 0 267.417 1.198 20 30 CDEDRP C=CCCC[NH2+]C1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100872774 900869210 /nfs/dbraw/zinc/86/92/10/900869210.db2.gz JACKIIMMLHNCFJ-FHERZECASA-N 2 0 293.455 1.779 20 30 CDEDRP C=CCCCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001481709219 901875427 /nfs/dbraw/zinc/87/54/27/901875427.db2.gz BHYCRAQGEGERCL-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001270125022 904382699 /nfs/dbraw/zinc/38/26/99/904382699.db2.gz QZYYICITPFXPMO-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001270228775 904458783 /nfs/dbraw/zinc/45/87/83/904458783.db2.gz PRCWPNGCPYWBOC-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189400297 921475153 /nfs/dbraw/zinc/47/51/53/921475153.db2.gz JAEKCZQSRXGETD-ZIAGYGMSSA-N 2 0 265.401 1.189 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171812496 910987963 /nfs/dbraw/zinc/98/79/63/910987963.db2.gz RKTQNLJDYJFGJK-AWEZNQCLSA-N 2 0 298.390 1.846 20 30 CDEDRP C=C(C)C(=O)NCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172108366 911265575 /nfs/dbraw/zinc/26/55/75/911265575.db2.gz VGHBJWIWWQGGDC-QDMKHBRRSA-N 2 0 279.428 1.674 20 30 CDEDRP C=CCCSCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000696042914 911631866 /nfs/dbraw/zinc/63/18/66/911631866.db2.gz DDUVYBVMLZJVQE-YHQUGGNUSA-N 2 0 252.427 1.882 20 30 CDEDRP COCCC1([NH3+])CC[NH+]([C@@H](C)CCCC#N)CC1 ZINC001172492931 911730649 /nfs/dbraw/zinc/73/06/49/911730649.db2.gz QCUVTOGJIMCDDX-ZDUSSCGKSA-N 2 0 253.390 1.899 20 30 CDEDRP C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH2+]CC1 ZINC001273031290 921692134 /nfs/dbraw/zinc/69/21/34/921692134.db2.gz ULAMJEPVZRAHLM-QGZVFWFLSA-N 2 0 291.439 1.629 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001178045474 915121836 /nfs/dbraw/zinc/12/18/36/915121836.db2.gz MHNXETKGOQGPST-OAHLLOKOSA-N 2 0 279.428 1.370 20 30 CDEDRP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001150779815 915258505 /nfs/dbraw/zinc/25/85/05/915258505.db2.gz WHCIRNNXYIZKGJ-HNNXBMFYSA-N 2 0 297.443 1.110 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC001179409931 915839444 /nfs/dbraw/zinc/83/94/44/915839444.db2.gz SQGVTMCTUOIEJO-VGWMRTNUSA-N 2 0 291.439 1.319 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001179852281 916011356 /nfs/dbraw/zinc/01/13/56/916011356.db2.gz HRWKOKVDQNJWAZ-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001180899100 916709397 /nfs/dbraw/zinc/70/93/97/916709397.db2.gz IJGSYBZLTRFNML-BFYDXBDKSA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001181897459 917454416 /nfs/dbraw/zinc/45/44/16/917454416.db2.gz ZLVPFLKAPCEUBS-BFYDXBDKSA-N 2 0 293.455 1.424 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032128531 917838306 /nfs/dbraw/zinc/83/83/06/917838306.db2.gz GLSOQKAULVZDHI-HZPDHXFCSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183411213 918471045 /nfs/dbraw/zinc/47/10/45/918471045.db2.gz YUFAIRMWOYWSFX-HLLBOEOZSA-N 2 0 293.455 1.588 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001185516801 919640762 /nfs/dbraw/zinc/64/07/62/919640762.db2.gz NNAWHPUNDXMJOO-HOTGVXAUSA-N 2 0 293.455 1.426 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001185548418 919650534 /nfs/dbraw/zinc/65/05/34/919650534.db2.gz MNRZMNNGWZVQBX-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001185763270 919743252 /nfs/dbraw/zinc/74/32/52/919743252.db2.gz RQDWHWFEGRQQNI-JKSUJKDBSA-N 2 0 293.455 1.424 20 30 CDEDRP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190442754 921998725 /nfs/dbraw/zinc/99/87/25/921998725.db2.gz BAFBHRDEAISBLJ-CABCVRRESA-N 2 0 297.418 1.222 20 30 CDEDRP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC001190474390 922022166 /nfs/dbraw/zinc/02/21/66/922022166.db2.gz XBXYWIVOTBXJIE-LSDHHAIUSA-N 2 0 288.395 1.382 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC=C)C1 ZINC001190726088 922154280 /nfs/dbraw/zinc/15/42/80/922154280.db2.gz WHYKGVVYBSRBCD-CVEARBPZSA-N 2 0 289.423 1.193 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001033466071 922223261 /nfs/dbraw/zinc/22/32/61/922223261.db2.gz CKDJXNVVMCSLMT-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001099158907 936781225 /nfs/dbraw/zinc/78/12/25/936781225.db2.gz AGIKCBURIZPZTO-ZOBUZTSGSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192387763 923048632 /nfs/dbraw/zinc/04/86/32/923048632.db2.gz ZAYMMKZKFSVBSV-AWEZNQCLSA-N 2 0 279.428 1.130 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(OC)CCCCC1 ZINC000187039475 923370537 /nfs/dbraw/zinc/37/05/37/923370537.db2.gz RXCCUGCAUJOJNO-CQSZACIVSA-N 2 0 296.459 1.724 20 30 CDEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194245576 924132713 /nfs/dbraw/zinc/13/27/13/924132713.db2.gz CQQZBUJKJGGHNY-MRXNPFEDSA-N 2 0 291.439 1.418 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001100765133 936933363 /nfs/dbraw/zinc/93/33/63/936933363.db2.gz URLWXOXPJHNXPK-UHFFFAOYSA-N 2 0 293.455 1.616 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001082741089 924990908 /nfs/dbraw/zinc/99/09/08/924990908.db2.gz PFHRKWSYMBZHOB-MRVWCRGKSA-N 2 0 299.846 1.660 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001082943914 925035139 /nfs/dbraw/zinc/03/51/39/925035139.db2.gz RJKIGHMFDQHUAF-OAGGEKHMSA-N 2 0 293.455 1.729 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084830274 925448762 /nfs/dbraw/zinc/44/87/62/925448762.db2.gz QEIAXBBOPVJKAU-QLFBSQMISA-N 2 0 277.412 1.047 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001085331485 925890661 /nfs/dbraw/zinc/89/06/61/925890661.db2.gz MJHZQGQARRAREV-RBSFLKMASA-N 2 0 277.412 1.121 20 30 CDEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102368204 937054784 /nfs/dbraw/zinc/05/47/84/937054784.db2.gz KQTHLHCLTQWBGW-BZUAXINKSA-N 2 0 291.439 1.178 20 30 CDEDRP C#Cc1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cn1 ZINC001201659050 926376324 /nfs/dbraw/zinc/37/63/24/926376324.db2.gz PHAVJCBXBLFEBN-UHFFFAOYSA-N 2 0 293.374 1.953 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCCO1 ZINC001201801126 926406350 /nfs/dbraw/zinc/40/63/50/926406350.db2.gz SLODNZXBNQDMBQ-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001086221093 926850783 /nfs/dbraw/zinc/85/07/83/926850783.db2.gz GFTFVNHNQLNFOL-FZKCQIBNSA-N 2 0 289.423 1.121 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169126656 927741456 /nfs/dbraw/zinc/74/14/56/927741456.db2.gz DBJBTDGMWWPSIW-UHFFFAOYSA-N 2 0 281.444 1.780 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152392519 937358566 /nfs/dbraw/zinc/35/85/66/937358566.db2.gz OIKYUYLACNXYOW-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135315541 930150270 /nfs/dbraw/zinc/15/02/70/930150270.db2.gz PVEKORBJXVWWQR-ZIAGYGMSSA-N 2 0 269.433 1.777 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170820806 930250071 /nfs/dbraw/zinc/25/00/71/930250071.db2.gz XSHFJHXMKXYWHB-ZBFHGGJFSA-N 2 0 291.439 1.226 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCCC1 ZINC001115697739 937413837 /nfs/dbraw/zinc/41/38/37/937413837.db2.gz JZPZCZPUOLDMPM-UHFFFAOYSA-N 2 0 279.428 1.370 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135788932 930420512 /nfs/dbraw/zinc/42/05/12/930420512.db2.gz MYTDXMCVTYYVNQ-HOTGVXAUSA-N 2 0 293.455 1.615 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135823606 930442346 /nfs/dbraw/zinc/44/23/46/930442346.db2.gz CYSOKOCMUOMSTC-LSDHHAIUSA-N 2 0 293.455 1.613 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860860 930479424 /nfs/dbraw/zinc/47/94/24/930479424.db2.gz IKFKJTKTIRKSFP-UONOGXRCSA-N 2 0 267.417 1.224 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860628 930479762 /nfs/dbraw/zinc/47/97/62/930479762.db2.gz FRIORMAUINZLBN-UONOGXRCSA-N 2 0 267.417 1.224 20 30 CDEDRP C=CCc1c(Cl)ncnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170894580 930706907 /nfs/dbraw/zinc/70/69/07/930706907.db2.gz LHBVHMYGEHWHLT-SECBINFHSA-N 2 0 255.753 1.294 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001154000456 937490080 /nfs/dbraw/zinc/49/00/80/937490080.db2.gz BYWXYVHCGGLJMP-ZIAGYGMSSA-N 2 0 267.417 1.177 20 30 CDEDRP C[NH+]1CCC2(CC[N@H+](Cc3cncc(C#N)c3)C2)CC1 ZINC001144083326 931652069 /nfs/dbraw/zinc/65/20/69/931652069.db2.gz FARUJBNACHJJAD-UHFFFAOYSA-N 2 0 270.380 1.871 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001147358547 932482631 /nfs/dbraw/zinc/48/26/31/932482631.db2.gz GLXFCEPYPMEDBM-HNNXBMFYSA-N 2 0 281.444 1.923 20 30 CDEDRP C#CCC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)CC)C2)C1 ZINC001147835887 932616492 /nfs/dbraw/zinc/61/64/92/932616492.db2.gz NZZYSVXSAYURQT-UHFFFAOYSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)CC[N@@H+](C)CCC ZINC001148570347 932743198 /nfs/dbraw/zinc/74/31/98/932743198.db2.gz BJSQQBIFTOFQDA-AWEZNQCLSA-N 2 0 269.433 1.779 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155791344 937674715 /nfs/dbraw/zinc/67/47/15/937674715.db2.gz WIYYEJWHERTZQJ-UONOGXRCSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114740782 934949501 /nfs/dbraw/zinc/94/95/01/934949501.db2.gz BATOXZDDNOGWRR-FICVDOATSA-N 2 0 291.439 1.341 20 30 CDEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114751215 934953178 /nfs/dbraw/zinc/95/31/78/934953178.db2.gz WDMCIRJFHXTFLC-FOLVSLTJSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158202203 938594805 /nfs/dbraw/zinc/59/48/05/938594805.db2.gz GXDFTJYYYRTBRA-HNNXBMFYSA-N 2 0 279.428 1.390 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)c1sccc1C[NH+](C)C ZINC001159154705 938706466 /nfs/dbraw/zinc/70/64/66/938706466.db2.gz BLCRHYIBZYTWTL-UHFFFAOYSA-N 2 0 281.425 1.705 20 30 CDEDRP N#Cc1cc(NC=C2CC[NH2+]CC2)ccc1N1CC[NH2+]CC1 ZINC001159742642 938748880 /nfs/dbraw/zinc/74/88/80/938748880.db2.gz GHBWAAKYRRKFKD-UHFFFAOYSA-N 2 0 297.406 1.647 20 30 CDEDRP C[C@@]1([NH3+])C[C@H](Nc2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001162325462 939024182 /nfs/dbraw/zinc/02/41/82/939024182.db2.gz ZHPWCVHGHSUGRX-WGRBQBNCSA-N 2 0 271.368 1.281 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001166626991 939620580 /nfs/dbraw/zinc/62/05/80/939620580.db2.gz NOEKMDNEJFCKMR-CQSZACIVSA-N 2 0 267.417 1.533 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166737005 939633343 /nfs/dbraw/zinc/63/33/43/939633343.db2.gz YDTFABJXXZLTGX-UHFFFAOYSA-N 2 0 267.417 1.390 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001166744524 939634537 /nfs/dbraw/zinc/63/45/37/939634537.db2.gz YMJOZIRSLLJTQL-UHFFFAOYSA-N 2 0 267.417 1.084 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C12CCC2 ZINC001203312763 939682418 /nfs/dbraw/zinc/68/24/18/939682418.db2.gz UNHNDTUNZBQDDF-KGLIPLIRSA-N 2 0 291.439 1.531 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001203869968 939709446 /nfs/dbraw/zinc/70/94/46/939709446.db2.gz UBUCBZGLVMNAIA-UHFFFAOYSA-N 2 0 277.412 1.076 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001205516270 939895750 /nfs/dbraw/zinc/89/57/50/939895750.db2.gz WPSVHPDICRRGNJ-OAHLLOKOSA-N 2 0 279.428 1.178 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001208362139 940324389 /nfs/dbraw/zinc/32/43/89/940324389.db2.gz KZMDXSOQWZXZOJ-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001209474135 940595192 /nfs/dbraw/zinc/59/51/92/940595192.db2.gz FLCYKNOWQCYBDV-LSDHHAIUSA-N 2 0 281.444 1.729 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211073112 940728438 /nfs/dbraw/zinc/72/84/38/940728438.db2.gz ZPAGUFNQHHTDER-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001214904618 940844389 /nfs/dbraw/zinc/84/43/89/940844389.db2.gz AYYZPHNKZAKREI-KFWWJZLASA-N 2 0 279.428 1.032 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001215519121 940892307 /nfs/dbraw/zinc/89/23/07/940892307.db2.gz YKUHLNUVECVMAH-KFWWJZLASA-N 2 0 279.428 1.177 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001215781487 940907815 /nfs/dbraw/zinc/90/78/15/940907815.db2.gz KQKLYCMDJBGCHO-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001216772688 940965892 /nfs/dbraw/zinc/96/58/92/940965892.db2.gz JFXFQUXVZKIYKJ-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP CNc1ccc(C#N)cc1NC(=O)[C@H](CCCC[NH3+])[NH2+]C ZINC001218981009 941296532 /nfs/dbraw/zinc/29/65/32/941296532.db2.gz MQAIVZPXMDYCEY-ZDUSSCGKSA-N 2 0 289.383 1.255 20 30 CDEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1ccc(C#N)cc1C#N ZINC001219393496 941338998 /nfs/dbraw/zinc/33/89/98/941338998.db2.gz NGZHPSSJTNZIOS-AWEZNQCLSA-N 2 0 299.378 1.428 20 30 CDEDRP C#C[C@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219940885 941397942 /nfs/dbraw/zinc/39/79/42/941397942.db2.gz HMPHEIQDPSAHMU-WMZOPIPTSA-N 2 0 299.418 1.365 20 30 CDEDRP C#C[C@](C)([NH3+])C(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001220260605 941430541 /nfs/dbraw/zinc/43/05/41/941430541.db2.gz AOTQQZSBYPBULZ-KRWDZBQOSA-N 2 0 291.439 1.498 20 30 CDEDRP C=CCOc1ccccc1[C@@H](C)NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220664029 941462770 /nfs/dbraw/zinc/46/27/70/941462770.db2.gz UPSLPAJCNQVEDC-OCCSQVGLSA-N 2 0 291.395 1.495 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001223374253 941674294 /nfs/dbraw/zinc/67/42/94/941674294.db2.gz MKPXKMFALUKJDS-OAHLLOKOSA-N 2 0 299.434 1.681 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001226564381 942026626 /nfs/dbraw/zinc/02/66/26/942026626.db2.gz KQDFRBOZVHDIEP-RRFJBIMHSA-N 2 0 297.418 1.317 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001230262932 942597961 /nfs/dbraw/zinc/59/79/61/942597961.db2.gz YGZCXGDVVPBQBA-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(F)ccc1C#N ZINC001232891787 943426814 /nfs/dbraw/zinc/42/68/14/943426814.db2.gz PXTVPRHGSRKVOV-UHFFFAOYSA-N 2 0 292.402 1.623 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001235515891 944182119 /nfs/dbraw/zinc/18/21/19/944182119.db2.gz UNDMPPSHQUBBQR-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001235513374 944182313 /nfs/dbraw/zinc/18/23/13/944182313.db2.gz OMCBHMMWIQVFAL-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCCC[N@@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001236037870 944388320 /nfs/dbraw/zinc/38/83/20/944388320.db2.gz LQBINKMWLWFVHQ-UKRRQHHQSA-N 2 0 266.385 1.427 20 30 CDEDRP N#Cc1ccc([O-])c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237414582 944764284 /nfs/dbraw/zinc/76/42/84/944764284.db2.gz LPZNAOYVCLHXAJ-UKRRQHHQSA-N 2 0 271.364 1.838 20 30 CDEDRP C#CCCN1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)C1=O ZINC001254510954 947473048 /nfs/dbraw/zinc/47/30/48/947473048.db2.gz ZJLHEPLAEUMVQZ-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001246079303 947930649 /nfs/dbraw/zinc/93/06/49/947930649.db2.gz DFBQQVORACCONC-VBNZEHGJSA-N 2 0 291.370 1.141 20 30 CDEDRP C#CCOCCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255672058 948064362 /nfs/dbraw/zinc/06/43/62/948064362.db2.gz XIGHFSSCNOGJOK-MQVJKMGUSA-N 2 0 280.412 1.258 20 30 CDEDRP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246540144 948242204 /nfs/dbraw/zinc/24/22/04/948242204.db2.gz DABICXRPRQXEDD-RHSMWYFYSA-N 2 0 287.407 1.665 20 30 CDEDRP C#C[C@H]1CCC[N@@H+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256699609 948403903 /nfs/dbraw/zinc/40/39/03/948403903.db2.gz ZVDQEAZZIAZMCL-GTPINHCMSA-N 2 0 276.424 1.975 20 30 CDEDRP C=CCN1C(=O)CCC12CC[NH+]([C@@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC001246707736 948413349 /nfs/dbraw/zinc/41/33/49/948413349.db2.gz CASPONAOGCFFPH-LSDHHAIUSA-N 2 0 291.439 1.770 20 30 CDEDRP C[N@H+](CCN1CC[NH+](C)CC1)C1CCC(C#N)CC1 ZINC001256969234 948466777 /nfs/dbraw/zinc/46/67/77/948466777.db2.gz BSOJIPPYVYEARE-UHFFFAOYSA-N 2 0 264.417 1.248 20 30 CDEDRP C#CCOC[C@H](O)C[NH2+]CCC[NH+](CCCC)CCCC ZINC001251885507 950915079 /nfs/dbraw/zinc/91/50/79/950915079.db2.gz XERGCFODRPYTDP-QGZVFWFLSA-N 2 0 298.471 1.879 20 30 CDEDRP C#CCOC[C@@H](O)C[NH2+][C@H]1CC[C@H]([NH+](CC)CC)CC1 ZINC001251906614 950947059 /nfs/dbraw/zinc/94/70/59/950947059.db2.gz IFWQXIOKOSXKIV-JYJNAYRXSA-N 2 0 282.428 1.240 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001252494832 951367571 /nfs/dbraw/zinc/36/75/71/951367571.db2.gz GDSRRUQCKYTYFQ-IHRRRGAJSA-N 2 0 256.390 1.012 20 30 CDEDRP C=C[C@](C)(O)C[NH2+]CC1CC[NH+](CC(C)C)CC1 ZINC001252579272 951471086 /nfs/dbraw/zinc/47/10/86/951471086.db2.gz LBFFSESWARWTTG-HNNXBMFYSA-N 2 0 254.418 1.881 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001252604408 951501988 /nfs/dbraw/zinc/50/19/88/951501988.db2.gz RWNINOMVBVMLQZ-OAHLLOKOSA-N 2 0 275.396 1.839 20 30 CDEDRP C=C[C@H](O)C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001253580779 951970464 /nfs/dbraw/zinc/97/04/64/951970464.db2.gz ZLVUUWXMVXFRBY-HNNXBMFYSA-N 2 0 252.402 1.587 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C[N@@H+](C)CCC ZINC001480576693 971791833 /nfs/dbraw/zinc/79/18/33/971791833.db2.gz KMJPQEGCWXOHMK-LLVKDONJSA-N 2 0 261.797 1.175 20 30 CDEDRP N#CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC001326473402 954399480 /nfs/dbraw/zinc/39/94/80/954399480.db2.gz JJOYBDYPQPAXAH-DZGCQCFKSA-N 2 0 259.353 1.806 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001491600180 955308269 /nfs/dbraw/zinc/30/82/69/955308269.db2.gz DNHCLFIVVMHKHU-LBPRGKRZSA-N 2 0 287.835 1.565 20 30 CDEDRP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001331405964 957028457 /nfs/dbraw/zinc/02/84/57/957028457.db2.gz LXQFNAVBOTVXAY-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317380324 957442154 /nfs/dbraw/zinc/44/21/54/957442154.db2.gz AUEPMQRKHYWSEL-CABCVRRESA-N 2 0 279.428 1.273 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH3+] ZINC001335263446 959667820 /nfs/dbraw/zinc/66/78/20/959667820.db2.gz HGIOYBUGMDIMBJ-CQSZACIVSA-N 2 0 261.369 1.445 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCCC1CC[NH+](CC)CC1 ZINC001340865188 963160688 /nfs/dbraw/zinc/16/06/88/963160688.db2.gz OMUNTZQZQFLYQB-HNNXBMFYSA-N 2 0 281.444 1.908 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC001343391390 963965675 /nfs/dbraw/zinc/96/56/75/963965675.db2.gz IRYQDRQQPKVPSO-CHWSQXEVSA-N 2 0 253.390 1.128 20 30 CDEDRP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001444063298 965727007 /nfs/dbraw/zinc/72/70/07/965727007.db2.gz YUPVOXOYGWEQIB-CYBMUJFWSA-N 2 0 299.846 1.852 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001444108097 965738908 /nfs/dbraw/zinc/73/89/08/965738908.db2.gz OEMFIRSSFRUHOK-HIFRSBDPSA-N 2 0 299.846 1.708 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001100377991 968164451 /nfs/dbraw/zinc/16/44/51/968164451.db2.gz QHTJUSXQWOCJQM-YMAMQOFZSA-N 2 0 299.434 1.727 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001100647395 968862717 /nfs/dbraw/zinc/86/27/17/968862717.db2.gz RXBOHBFOVWYGHW-YMAMQOFZSA-N 2 0 279.428 1.080 20 30 CDEDRP CC#CC[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132250275 1163212094 /nfs/dbraw/zinc/21/20/94/1163212094.db2.gz ZVAMVOWOOFKAEB-LSDHHAIUSA-N 2 0 279.428 1.321 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132265384 1163217887 /nfs/dbraw/zinc/21/78/87/1163217887.db2.gz MFCCKMUSYFLUBV-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132368011 1163253941 /nfs/dbraw/zinc/25/39/41/1163253941.db2.gz HPHQNVNCRUGCAQ-KGLIPLIRSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132519510 1163338357 /nfs/dbraw/zinc/33/83/57/1163338357.db2.gz ZXWTZDMKZSXANK-HUUCEWRRSA-N 2 0 279.428 1.319 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001133073250 1163552518 /nfs/dbraw/zinc/55/25/18/1163552518.db2.gz RSPAFRLWJKKAPS-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001133315648 1163639000 /nfs/dbraw/zinc/63/90/00/1163639000.db2.gz WAYWSDMXKRRUSQ-JKSUJKDBSA-N 2 0 291.439 1.180 20 30 CDEDRP CC#CC[C@H]([NH3+])C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001574962369 1171063802 /nfs/dbraw/zinc/06/38/02/1171063802.db2.gz KLCJXOBATOUECM-HIFRSBDPSA-N 2 0 277.412 1.060 20 30 CDEDRP C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CCC[NH2+]1 ZINC000591570745 342637186 /nfs/dbraw/zinc/63/71/86/342637186.db2.gz HVQANTMPDLYBFG-CZUORRHYSA-N 2 0 299.422 1.652 20 30 CDEDRP N#Cc1ccc(CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000594718570 342948051 /nfs/dbraw/zinc/94/80/51/342948051.db2.gz SVKAZFQYQUUMGK-MRXNPFEDSA-N 2 0 273.380 1.147 20 30 CDEDRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442775404 362090183 /nfs/dbraw/zinc/09/01/83/362090183.db2.gz FUJSCYJPXZIAFQ-JKSUJKDBSA-N 2 0 278.444 1.542 20 30 CDEDRP C[NH+]1CCC2(CC[N@H+](Cc3ccnc(C#N)c3)C2)CC1 ZINC000602877040 350158691 /nfs/dbraw/zinc/15/86/91/350158691.db2.gz KLVXJPZRBVTLMS-UHFFFAOYSA-N 2 0 270.380 1.871 20 30 CDEDRP C[NH+]=C(NCCC[N@H+](C)Cc1ccccc1)NC1CC1 ZINC000264099400 362966959 /nfs/dbraw/zinc/96/69/59/362966959.db2.gz YIJBPDCQRCUGGR-UHFFFAOYSA-N 2 0 274.412 1.836 20 30 CDEDRP CCNC(=[NH2+])NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000264129807 362974464 /nfs/dbraw/zinc/97/44/64/362974464.db2.gz XPBHGMUTTVIRRK-LBPRGKRZSA-N 2 0 252.337 1.353 20 30 CDEDRP CCC[N@H+](C)C[C@H]1CCN(CC(=O)N(CC)CCC#N)C1 ZINC000081516135 359857442 /nfs/dbraw/zinc/85/74/42/359857442.db2.gz NPCDWEXEEDSMIN-OAHLLOKOSA-N 2 0 294.443 1.412 20 30 CDEDRP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000092797575 360285363 /nfs/dbraw/zinc/28/53/63/360285363.db2.gz OBKWBDBRESVZKT-HNNXBMFYSA-N 2 0 292.427 1.166 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426353371 360658822 /nfs/dbraw/zinc/65/88/22/360658822.db2.gz UQQDUUBTFQXKEM-HNNXBMFYSA-N 2 0 277.412 1.380 20 30 CDEDRP CN(CCC#N)C[C@H](O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000570675401 363875015 /nfs/dbraw/zinc/87/50/15/363875015.db2.gz KFIOHXOCILEJGC-OAHLLOKOSA-N 2 0 296.459 1.045 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000178744722 364938712 /nfs/dbraw/zinc/93/87/12/364938712.db2.gz LLPLLCMQQDSKCH-UHFFFAOYSA-N 2 0 296.459 1.618 20 30 CDEDRP C[NH+]=C(NCC[NH+]1CCCC1)NCc1ccco1 ZINC000171411963 365275263 /nfs/dbraw/zinc/27/52/63/365275263.db2.gz PFYUFYYSOSALMX-UHFFFAOYSA-N 2 0 250.346 1.040 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000305106672 370865802 /nfs/dbraw/zinc/86/58/02/370865802.db2.gz ZMLJRNUXYRNPJD-INIZCTEOSA-N 2 0 282.428 1.358 20 30 CDEDRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000361430866 368817757 /nfs/dbraw/zinc/81/77/57/368817757.db2.gz BGNHZWOPGSLDAK-GJZGRUSLSA-N 2 0 279.428 1.894 20 30 CDEDRP C=CCC[C@@H](O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180954797 372452163 /nfs/dbraw/zinc/45/21/63/372452163.db2.gz BREHVUSXCXTUNC-MRXNPFEDSA-N 2 0 283.460 1.271 20 30 CDEDRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248721384 377314780 /nfs/dbraw/zinc/31/47/80/377314780.db2.gz CIPXSMPHUKSIDQ-ZIAGYGMSSA-N 2 0 253.390 1.627 20 30 CDEDRP C=C(C)C[N@@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000351066642 391033758 /nfs/dbraw/zinc/03/37/58/391033758.db2.gz UHIMFFFVXHWNJK-UHFFFAOYSA-N 2 0 253.390 1.095 20 30 CDEDRP C#CCN(C)CCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1n1cncn1 ZINC000295128613 391054957 /nfs/dbraw/zinc/05/49/57/391054957.db2.gz ZQIUFQLGOOVUCY-BZUAXINKSA-N 2 0 289.427 1.553 20 30 CDEDRP C=CCN1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339066012 391248338 /nfs/dbraw/zinc/24/83/38/391248338.db2.gz AEPXHULYFNCDOJ-CVEARBPZSA-N 2 0 263.429 1.853 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)C[NH3+])C(C)C ZINC000417060342 391342015 /nfs/dbraw/zinc/34/20/15/391342015.db2.gz JVNIOZCGPWPVGM-UONOGXRCSA-N 2 0 282.432 1.331 20 30 CDEDRP C[NH+]=C(NCc1ccsc1)NC[C@@H]1CCC[N@@H+]1C ZINC000262737144 391816857 /nfs/dbraw/zinc/81/68/57/391816857.db2.gz VRINTERUGIMTJI-LBPRGKRZSA-N 2 0 266.414 1.507 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cnc2n1CCC2 ZINC000657454560 414348758 /nfs/dbraw/zinc/34/87/58/414348758.db2.gz LZLGZDADZAHUNH-WFASDCNBSA-N 2 0 261.369 1.900 20 30 CDEDRP C=CCNC(=[NH2+])NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186890023 262115012 /nfs/dbraw/zinc/11/50/12/262115012.db2.gz SLTSBZCAMBMUFL-INIZCTEOSA-N 2 0 286.423 1.987 20 30 CDEDRP [NH2+]=C(NCc1ccccc1C[NH+]1CCCC1)NC1CC1 ZINC000195522145 262251973 /nfs/dbraw/zinc/25/19/73/262251973.db2.gz CLAYXWMEYABRIO-UHFFFAOYSA-N 2 0 272.396 1.849 20 30 CDEDRP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228474034 262339131 /nfs/dbraw/zinc/33/91/31/262339131.db2.gz NJCMYOFZTQTKAG-RRFJBIMHSA-N 2 0 277.412 1.246 20 30 CDEDRP C[C@@H]1C[NH+]=C(NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)N1 ZINC000262658968 262781342 /nfs/dbraw/zinc/78/13/42/262781342.db2.gz MKPUFGWLEIMYTB-CZUORRHYSA-N 2 0 286.423 1.834 20 30 CDEDRP CCCNC(=[NH2+])NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000264259028 262885852 /nfs/dbraw/zinc/88/58/52/262885852.db2.gz ISAGCZSQOQXQSF-UHFFFAOYSA-N 2 0 292.427 1.831 20 30 CDEDRP C=CCc1cc(C[NH2+]C[C@@H](C)C[NH3+])cc(OC)c1O ZINC000414885748 263099352 /nfs/dbraw/zinc/09/93/52/263099352.db2.gz XJKGYEAJEVYKHV-NSHDSACASA-N 2 0 264.369 1.814 20 30 CDEDRP C[NH+]=C(NCCC1=CCCCC1)NC[C@@H]1CC[N@H+](C)C1 ZINC000073448856 264289638 /nfs/dbraw/zinc/28/96/38/264289638.db2.gz UJZDGTIZPBBQPX-HNNXBMFYSA-N 2 0 278.444 1.994 20 30 CDEDRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353235564 266585031 /nfs/dbraw/zinc/58/50/31/266585031.db2.gz BWWVFZZWIQYSKN-INIZCTEOSA-N 2 0 285.391 1.592 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001669708278 1173589324 /nfs/dbraw/zinc/58/93/24/1173589324.db2.gz ZKTUQMUHKPTPNF-NSHDSACASA-N 2 0 261.797 1.175 20 30 CDEDRP CNC(=[NH2+])NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000264149559 328158081 /nfs/dbraw/zinc/15/80/81/328158081.db2.gz YVQZKNCKJGUKJJ-CYBMUJFWSA-N 2 0 274.412 1.953 20 30 CDEDRP C=CCC(C)(C)CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000556756700 326962157 /nfs/dbraw/zinc/96/21/57/326962157.db2.gz NBERZNYWBBHSGS-UHFFFAOYSA-N 2 0 298.475 1.724 20 30 CDEDRP C[C@H](C(=O)NC1(C#N)CC[NH+](C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000558696214 327114583 /nfs/dbraw/zinc/11/45/83/327114583.db2.gz OVICGHNOBHHFGS-HZSPNIEDSA-N 2 0 292.427 1.352 20 30 CDEDRP C[N@H+](CCCCC#N)CCCN1CC[NH+](C)CC1 ZINC000119676943 327247192 /nfs/dbraw/zinc/24/71/92/327247192.db2.gz NXNVQRVUHCYBNG-UHFFFAOYSA-N 2 0 252.406 1.250 20 30 CDEDRP C[NH+]=C(NCCc1ccco1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000154252724 327379976 /nfs/dbraw/zinc/37/99/76/327379976.db2.gz LLWRTZGPTKZTNC-CQSZACIVSA-N 2 0 288.395 1.344 20 30 CDEDRP CC(C)(C)NC(=[NH2+])NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000262710692 330028350 /nfs/dbraw/zinc/02/83/50/330028350.db2.gz CLRQXFPNBGAIRI-GFCCVEGCSA-N 2 0 252.406 1.706 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000424126805 330259417 /nfs/dbraw/zinc/25/94/17/330259417.db2.gz BYVADWPYDAIOLV-KGLIPLIRSA-N 2 0 278.400 1.094 20 30 CDEDRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424136300 330272362 /nfs/dbraw/zinc/27/23/62/330272362.db2.gz AHOKYEKEHZRNCY-KBPBESRZSA-N 2 0 280.416 1.198 20 30 CDEDRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424138012 330274939 /nfs/dbraw/zinc/27/49/39/330274939.db2.gz CSGQVOYXVFFKDT-KBPBESRZSA-N 2 0 280.416 1.102 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000424158542 330305569 /nfs/dbraw/zinc/30/55/69/330305569.db2.gz RDUPENKZAOJLIR-ZIAGYGMSSA-N 2 0 278.400 1.094 20 30 CDEDRP C=CCC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000121062410 330395972 /nfs/dbraw/zinc/39/59/72/330395972.db2.gz PZNDQXFAFSKRMB-GOEBONIOSA-N 2 0 265.445 1.957 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001671369401 1159178013 /nfs/dbraw/zinc/17/80/13/1159178013.db2.gz WRGMRBMEJIXQNW-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP CCC#C[C@@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000679318956 483336359 /nfs/dbraw/zinc/33/63/59/483336359.db2.gz ODUJGNYRFSHSIN-OAHLLOKOSA-N 2 0 251.418 1.358 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)C(C)C ZINC000565360315 517330990 /nfs/dbraw/zinc/33/09/90/517330990.db2.gz BOFIAUCPWXWUFT-HRCADAONSA-N 2 0 293.455 1.799 20 30 CDEDRP CCCNC(=[NH2+])NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000203011801 1162173862 /nfs/dbraw/zinc/17/38/62/1162173862.db2.gz NNQXEVUDQCAILI-OCCSQVGLSA-N 2 0 254.422 1.811 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000333168611 526596460 /nfs/dbraw/zinc/59/64/60/526596460.db2.gz HTKNYCBNGVSAJW-AWEZNQCLSA-N 2 0 280.416 1.078 20 30 CDEDRP C=CC[NH+]1CCC(NC(=S)NCCC[NH+](C)C)CC1 ZINC000729942697 574831935 /nfs/dbraw/zinc/83/19/35/574831935.db2.gz KGEPBRIEPPVOBJ-UHFFFAOYSA-N 2 0 284.473 1.053 20 30 CDEDRP C#CCOCC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000753768834 576858752 /nfs/dbraw/zinc/85/87/52/576858752.db2.gz NIXYRKNTMJFZNY-JKSUJKDBSA-N 2 0 282.428 1.363 20 30 CDEDRP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000981199159 612973969 /nfs/dbraw/zinc/97/39/69/612973969.db2.gz NZHRXTWREFJEML-GJZGRUSLSA-N 2 0 296.374 1.598 20 30 CDEDRP C#CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942256122 613223747 /nfs/dbraw/zinc/22/37/47/613223747.db2.gz CXFULVBHZRKSBS-LSDHHAIUSA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000971861281 613283191 /nfs/dbraw/zinc/28/31/91/613283191.db2.gz KYTZIWWZTKHXEP-OAHLLOKOSA-N 2 0 291.439 1.724 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000971679778 613284475 /nfs/dbraw/zinc/28/44/75/613284475.db2.gz UYZFVHBTVXLCTN-HUUCEWRRSA-N 2 0 279.428 1.435 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944944623 613327444 /nfs/dbraw/zinc/32/74/44/613327444.db2.gz NQKXKOHMPAEKQY-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000969948860 613348286 /nfs/dbraw/zinc/34/82/86/613348286.db2.gz MAPDAGSAMCMWLH-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000969349306 613349360 /nfs/dbraw/zinc/34/93/60/613349360.db2.gz DDAOOZKPJHKLLI-CQSZACIVSA-N 2 0 284.363 1.715 20 30 CDEDRP C=C(Cl)CN1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000981872801 613373158 /nfs/dbraw/zinc/37/31/58/613373158.db2.gz XUGBFRKLNSJDSX-UHFFFAOYSA-N 2 0 299.846 1.615 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942598422 613578203 /nfs/dbraw/zinc/57/82/03/613578203.db2.gz XHQQDGXCYQRVED-GOEBONIOSA-N 2 0 291.439 1.178 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942598424 613596705 /nfs/dbraw/zinc/59/67/05/613596705.db2.gz XHQQDGXCYQRVED-ZBFHGGJFSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000972479503 613633244 /nfs/dbraw/zinc/63/32/44/613633244.db2.gz VESJNHSFZKYVSV-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000970019982 613662067 /nfs/dbraw/zinc/66/20/67/613662067.db2.gz JKUIGSIHWXNLGT-ZBFHGGJFSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000982799760 613822798 /nfs/dbraw/zinc/82/27/98/613822798.db2.gz XWEKSWCDKMRGJV-OIISXLGYSA-N 2 0 291.439 1.295 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N(C)CCCCCC[NH3+])CC1 ZINC000891522843 617459544 /nfs/dbraw/zinc/45/95/44/617459544.db2.gz WRIAXJJAKSEKQF-UHFFFAOYSA-N 2 0 296.459 1.797 20 30 CDEDRP C#C[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCCO1 ZINC000800375107 618407158 /nfs/dbraw/zinc/40/71/58/618407158.db2.gz XUZGHUJVURROMO-IAGOWNOFSA-N 2 0 293.455 1.173 20 30 CDEDRP C=CC[NH+](CC=C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903716644 626061623 /nfs/dbraw/zinc/06/16/23/626061623.db2.gz APRQBJUMFANTDA-AWEZNQCLSA-N 2 0 250.386 1.819 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000911634386 629378116 /nfs/dbraw/zinc/37/81/16/629378116.db2.gz NJKQBUQPMMGRPD-CHWSQXEVSA-N 2 0 253.390 1.128 20 30 CDEDRP CCC[NH+]=C(NC[C@H]1CCC[N@@H+]1C)NC(C)(C)C ZINC000912509766 630049722 /nfs/dbraw/zinc/04/97/22/630049722.db2.gz QCKLCVDVUPCJEX-GFCCVEGCSA-N 2 0 254.422 1.824 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001113688013 1162259718 /nfs/dbraw/zinc/25/97/18/1162259718.db2.gz XIPMWXAOEHSULE-UHFFFAOYSA-N 2 0 267.417 1.437 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001133181562 1163597661 /nfs/dbraw/zinc/59/76/61/1163597661.db2.gz CYRCKXJEDAFOAY-HOTGVXAUSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001133261450 1163617139 /nfs/dbraw/zinc/61/71/39/1163617139.db2.gz APCBBHMBDYEYRC-CVEARBPZSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133908329 1163960074 /nfs/dbraw/zinc/96/00/74/1163960074.db2.gz MUFDPXYNGPOZFH-UHFFFAOYSA-N 2 0 255.406 1.246 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134021048 1164006864 /nfs/dbraw/zinc/00/68/64/1164006864.db2.gz PERLUNALOPNCIR-HNNXBMFYSA-N 2 0 297.443 1.159 20 30 CDEDRP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049729461 1166961151 /nfs/dbraw/zinc/96/11/51/1166961151.db2.gz VRVJEPJPMYDKNI-SOUVJXGZSA-N 2 0 277.412 1.025 20 30 CDEDRP C[C@H](CCC#N)[NH+]1CCC(c2nnc(C[NH3+])[nH]2)CC1 ZINC001573540164 1170685776 /nfs/dbraw/zinc/68/57/76/1170685776.db2.gz GBIZDNUOFNHABJ-SNVBAGLBSA-N 2 0 262.361 1.135 20 30 CDEDRP C#Cc1cccc(C[NH2+]CCC2([NH3+])CCOCC2)c1 ZINC001574766510 1171007525 /nfs/dbraw/zinc/00/75/25/1171007525.db2.gz RJOFNEHALSPNIH-UHFFFAOYSA-N 2 0 258.365 1.656 20 30 CDEDRP CC#CC[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001574972226 1171071716 /nfs/dbraw/zinc/07/17/16/1171071716.db2.gz KYXCDXZUIQRHIJ-KFWWJZLASA-N 2 0 293.455 1.600 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001690688783 1175545247 /nfs/dbraw/zinc/54/52/47/1175545247.db2.gz DJAVVPYSMXZKCC-HNNXBMFYSA-N 2 0 279.428 1.629 20 30 CDEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001731366407 1182337834 /nfs/dbraw/zinc/33/78/34/1182337834.db2.gz XLJOLRPPSXIWTO-HNNXBMFYSA-N 2 0 279.428 1.129 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001753323121 1183970248 /nfs/dbraw/zinc/97/02/48/1183970248.db2.gz LNEARZDYAHGBAH-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP CC#CC[N@H+](CC)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001752181551 1184832255 /nfs/dbraw/zinc/83/22/55/1184832255.db2.gz BZJAAWXPBNXTES-INIZCTEOSA-N 2 0 291.439 1.180 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001752797599 1184916960 /nfs/dbraw/zinc/91/69/60/1184916960.db2.gz JRJJCUBYXLZFHZ-HOTGVXAUSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH2+]CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001753202859 1185115500 /nfs/dbraw/zinc/11/55/00/1185115500.db2.gz OTPJNMRVPXRKEM-UHFFFAOYSA-N 2 0 279.428 1.487 20 30 CDEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001753265352 1185136205 /nfs/dbraw/zinc/13/62/05/1185136205.db2.gz CTHONYLFYLVWNV-UHFFFAOYSA-N 2 0 261.797 1.127 20 30 CDEDRP C=CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001753334436 1185158797 /nfs/dbraw/zinc/15/87/97/1185158797.db2.gz GCPWUBFFHRPVPX-JYJNAYRXSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001753349900 1185165673 /nfs/dbraw/zinc/16/56/73/1185165673.db2.gz YDOXDBHYTOXJSV-RBSFLKMASA-N 2 0 279.428 1.293 20 30 CDEDRP C=CC[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001753594426 1185262166 /nfs/dbraw/zinc/26/21/66/1185262166.db2.gz CAVWUYQQICKPOY-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001754044578 1185439718 /nfs/dbraw/zinc/43/97/18/1185439718.db2.gz KEJRBKHIKPNMCC-CQSZACIVSA-N 2 0 299.846 1.519 20 30 CDEDRP C=CCC[NH2+]CCN(CC)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001754044969 1185440022 /nfs/dbraw/zinc/44/00/22/1185440022.db2.gz ZKIQQGAFFCSVMB-OAHLLOKOSA-N 2 0 279.428 1.342 20 30 CDEDRP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001754206843 1185504597 /nfs/dbraw/zinc/50/45/97/1185504597.db2.gz VYXKMHXEEVALEG-NNTXTVRGSA-N 2 0 265.401 1.166 20 30 CDEDRP C#CCC[N@@H+](C)CCCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001755039931 1185795982 /nfs/dbraw/zinc/79/59/82/1185795982.db2.gz ZAGIYRSRSPMGEF-INIZCTEOSA-N 2 0 293.455 1.664 20 30 CDEDRP N#Cc1cccc([C@@H](O)C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000402137935 1186437363 /nfs/dbraw/zinc/43/73/63/1186437363.db2.gz JMKKJAYFFUEKDM-ZFWWWQNUSA-N 2 0 259.353 1.262 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133962368 1163984242 /nfs/dbraw/zinc/98/42/42/1163984242.db2.gz GMKOCKAHKTUTQM-STQMWFEESA-N 2 0 255.406 1.387 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001034016260 742868270 /nfs/dbraw/zinc/86/82/70/742868270.db2.gz LHTGSNHFAHPYNJ-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001002828553 742868721 /nfs/dbraw/zinc/86/87/21/742868721.db2.gz HHEHACPIWKANOK-MRXNPFEDSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001022983647 742871704 /nfs/dbraw/zinc/87/17/04/742871704.db2.gz NAYWMWUWCXLCHJ-TXEJJXNPSA-N 2 0 274.368 1.184 20 30 CDEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001005990443 742877516 /nfs/dbraw/zinc/87/75/16/742877516.db2.gz GYPDMXKBCJCAGO-HNNXBMFYSA-N 2 0 293.455 1.970 20 30 CDEDRP C[NH+](C)[C@H](CNC(=[NH2+])NC1CCCCCC1)C1CC1 ZINC000092277687 743025674 /nfs/dbraw/zinc/02/56/74/743025674.db2.gz XRVFZSKZPAQLEY-CQSZACIVSA-N 2 0 266.433 1.954 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001020925170 743047313 /nfs/dbraw/zinc/04/73/13/743047313.db2.gz IVCAFCWEVZVGGP-AVGNSLFASA-N 2 0 285.819 1.318 20 30 CDEDRP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033353187 743061728 /nfs/dbraw/zinc/06/17/28/743061728.db2.gz DWNHORVFCPQJHZ-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001020285936 743062418 /nfs/dbraw/zinc/06/24/18/743062418.db2.gz MAANBMVSRDWSEQ-HDJSIYSDSA-N 2 0 277.412 1.285 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000997006326 743082918 /nfs/dbraw/zinc/08/29/18/743082918.db2.gz KVLQHWRZIQDQBW-UHFFFAOYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001006441917 743212397 /nfs/dbraw/zinc/21/23/97/743212397.db2.gz GOKAZCHAJZLKFN-MRXNPFEDSA-N 2 0 293.455 1.970 20 30 CDEDRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886033963 743390264 /nfs/dbraw/zinc/39/02/64/743390264.db2.gz ZVCYJJQVZIHBQE-HUUCEWRRSA-N 2 0 279.428 1.705 20 30 CDEDRP C#CCC[N@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034492157 743539324 /nfs/dbraw/zinc/53/93/24/743539324.db2.gz ZKAZPEWNZKHBCA-OAHLLOKOSA-N 2 0 289.423 1.076 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001054664953 744973832 /nfs/dbraw/zinc/97/38/32/744973832.db2.gz ZDISHGRTOBLYFK-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999573464 745059895 /nfs/dbraw/zinc/05/98/95/745059895.db2.gz IYCYEMFHOBPKEP-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995981803 745086135 /nfs/dbraw/zinc/08/61/35/745086135.db2.gz NWGMQHJDEIZQJX-ZIAGYGMSSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001020025671 745094346 /nfs/dbraw/zinc/09/43/46/745094346.db2.gz XZODAZQQIRJOBJ-IJLUTSLNSA-N 2 0 271.792 1.070 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001019340863 745207390 /nfs/dbraw/zinc/20/73/90/745207390.db2.gz LGOHFJXKYZMCSV-QWHCGFSZSA-N 2 0 287.835 1.516 20 30 CDEDRP C[C@H](CNC(=[NH2+])N1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000303909332 745268805 /nfs/dbraw/zinc/26/88/05/745268805.db2.gz YCRIRHOAMQSAPV-ZIAGYGMSSA-N 2 0 266.433 1.907 20 30 CDEDRP COc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)ccc1C#N ZINC000723674943 745385909 /nfs/dbraw/zinc/38/59/09/745385909.db2.gz CGMGRWQVSUTGES-LBPRGKRZSA-N 2 0 259.353 1.738 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)C[C@@H](C)[NH3+])C(C)C ZINC000861556123 745475718 /nfs/dbraw/zinc/47/57/18/745475718.db2.gz CUSACJPEJRWPRQ-CABCVRRESA-N 2 0 296.459 1.674 20 30 CDEDRP CC[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[NH+]1CCCC1 ZINC000303887013 745499263 /nfs/dbraw/zinc/49/92/63/745499263.db2.gz KQJVUAZCMFIBFO-KGLIPLIRSA-N 2 0 266.433 1.907 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001054748999 745632297 /nfs/dbraw/zinc/63/22/97/745632297.db2.gz OQGSMYYVDQQUBY-SMDDNHRTSA-N 2 0 299.846 1.660 20 30 CDEDRP C#CC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001034399362 745765673 /nfs/dbraw/zinc/76/56/73/745765673.db2.gz SVHFBUAANXUCMX-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001016332228 745776473 /nfs/dbraw/zinc/77/64/73/745776473.db2.gz DEDXUDJSJKNCBZ-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000996664919 745859212 /nfs/dbraw/zinc/85/92/12/745859212.db2.gz NCUJKRAGNQPLKI-OAHLLOKOSA-N 2 0 291.439 1.178 20 30 CDEDRP C[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)C[NH+]1CCCC1 ZINC000303895508 745862235 /nfs/dbraw/zinc/86/22/35/745862235.db2.gz TXXDLNNTKHCBSQ-KGLIPLIRSA-N 2 0 266.433 1.765 20 30 CDEDRP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034526212 745880686 /nfs/dbraw/zinc/88/06/86/745880686.db2.gz VYXUTCPAPSRRMI-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049548109 745893366 /nfs/dbraw/zinc/89/33/66/745893366.db2.gz CEXNZKUEEWIEOO-OWCLPIDISA-N 2 0 293.455 1.968 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCC)[C@@H]2C)CC1 ZINC000987566559 746004516 /nfs/dbraw/zinc/00/45/16/746004516.db2.gz CBEGJDXRSRHWAQ-GOEBONIOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2cnccc2OC)C1 ZINC000989034339 746013313 /nfs/dbraw/zinc/01/33/13/746013313.db2.gz AHAQUHNEGSWMKI-GXTWGEPZSA-N 2 0 289.379 1.398 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001023446176 746116616 /nfs/dbraw/zinc/11/66/16/746116616.db2.gz LJZXCGLDHJVVIU-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016248951 746211537 /nfs/dbraw/zinc/21/15/37/746211537.db2.gz FOSYJZJJAVULIE-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@@H](C(CC)CC)[NH+](C)C ZINC000303788121 746216122 /nfs/dbraw/zinc/21/61/22/746216122.db2.gz TXBBWVDJNSXJRA-ZDUSSCGKSA-N 2 0 254.422 1.833 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033199335 746260620 /nfs/dbraw/zinc/26/06/20/746260620.db2.gz QYEGSEXDKDAARH-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP C#CCC[N@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071997342 746269619 /nfs/dbraw/zinc/26/96/19/746269619.db2.gz YQPQDUVDRYHZGE-LSDHHAIUSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC000995921783 746301962 /nfs/dbraw/zinc/30/19/62/746301962.db2.gz YFHHQDCCZPNUBD-AWEZNQCLSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001038624439 746399164 /nfs/dbraw/zinc/39/91/64/746399164.db2.gz OHVVRMHBWIIZIP-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001038270117 746415674 /nfs/dbraw/zinc/41/56/74/746415674.db2.gz SAJCVKQWNKOJMR-HOTGVXAUSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033475477 746454671 /nfs/dbraw/zinc/45/46/71/746454671.db2.gz PSYGUBXXKJDABA-MRXNPFEDSA-N 2 0 293.455 1.827 20 30 CDEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000801925184 746458190 /nfs/dbraw/zinc/45/81/90/746458190.db2.gz ZVGUGTMVTCODGE-LSDHHAIUSA-N 2 0 283.416 1.348 20 30 CDEDRP C[C@@H](CNC(=[NH2+])N1CCCCCC1)[N@H+](C)C1CC1 ZINC000305039250 746467791 /nfs/dbraw/zinc/46/77/91/746467791.db2.gz CFEXPDQPWNDKKT-LBPRGKRZSA-N 2 0 252.406 1.660 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048720213 746509915 /nfs/dbraw/zinc/50/99/15/746509915.db2.gz IQIXCNUOHZRWRD-QLFBSQMISA-N 2 0 277.412 1.047 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001052254731 746643569 /nfs/dbraw/zinc/64/35/69/746643569.db2.gz OSEWJROJOWEDGE-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC=C)CC1 ZINC001028333822 746737894 /nfs/dbraw/zinc/73/78/94/746737894.db2.gz RJPYYBJUYUGZRO-INIZCTEOSA-N 2 0 289.423 1.098 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001000191454 746776489 /nfs/dbraw/zinc/77/64/89/746776489.db2.gz JAOADNPYHYHQJA-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000068041922 746805068 /nfs/dbraw/zinc/80/50/68/746805068.db2.gz PUIXFIKGAICLAV-ZDUSSCGKSA-N 2 0 252.406 1.565 20 30 CDEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001005415504 746837173 /nfs/dbraw/zinc/83/71/73/746837173.db2.gz LOJNIOYKGRYMDU-JKSUJKDBSA-N 2 0 291.439 1.273 20 30 CDEDRP COc1ccc(NC(=[NH2+])NCCC[NH+]2CCCC2)cc1 ZINC000303787198 746845750 /nfs/dbraw/zinc/84/57/50/746845750.db2.gz SFXJFFDBHJTTKU-UHFFFAOYSA-N 2 0 276.384 1.908 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001036302961 746860566 /nfs/dbraw/zinc/86/05/66/746860566.db2.gz KSUIREVXXNDMLM-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001027893103 746862488 /nfs/dbraw/zinc/86/24/88/746862488.db2.gz MWBZNUIQDAVGKR-HRCADAONSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001017659564 746896793 /nfs/dbraw/zinc/89/67/93/746896793.db2.gz VZCSZSJVDUHNTJ-OWCLPIDISA-N 2 0 293.455 1.968 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034041423 746960861 /nfs/dbraw/zinc/96/08/61/746960861.db2.gz DDDCSWHTDCJJAH-ZIAGYGMSSA-N 2 0 265.401 1.047 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001023125472 747064155 /nfs/dbraw/zinc/06/41/55/747064155.db2.gz RIXDFDLQKVBQAE-TUVASFSCSA-N 2 0 279.428 1.672 20 30 CDEDRP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001028445728 747088004 /nfs/dbraw/zinc/08/80/04/747088004.db2.gz UKHYJKJPGWUZMS-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000923364420 747108837 /nfs/dbraw/zinc/10/88/37/747108837.db2.gz MJEWVVMAWDUILL-GJZGRUSLSA-N 2 0 252.402 1.778 20 30 CDEDRP C=CC[C@H](C)[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000883432958 747156149 /nfs/dbraw/zinc/15/61/49/747156149.db2.gz FFCILRWZBBSQOP-QEJZJMRPSA-N 2 0 292.427 1.171 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC(C)(C)C ZINC000303484192 747194473 /nfs/dbraw/zinc/19/44/73/747194473.db2.gz SJCIYDJJQAUTNE-QWHCGFSZSA-N 2 0 282.432 1.203 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001039050709 747326676 /nfs/dbraw/zinc/32/66/76/747326676.db2.gz PISNWFNUJYNAPK-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001052713308 747337602 /nfs/dbraw/zinc/33/76/02/747337602.db2.gz USJOPBVPMRTDBT-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000985751498 747343323 /nfs/dbraw/zinc/34/33/23/747343323.db2.gz MTGOTBVCUFESNM-AWEZNQCLSA-N 2 0 279.428 1.437 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC=CCC1 ZINC000261985385 747367463 /nfs/dbraw/zinc/36/74/63/747367463.db2.gz JPCBLBUNXZKUIN-UONOGXRCSA-N 2 0 264.417 1.731 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001027441141 747442163 /nfs/dbraw/zinc/44/21/63/747442163.db2.gz SEPUULRYCXDYGI-CQSZACIVSA-N 2 0 277.412 1.027 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001027649926 747540341 /nfs/dbraw/zinc/54/03/41/747540341.db2.gz WILOYAYBLOFPFR-ZDUSSCGKSA-N 2 0 290.411 1.796 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032042335 747545937 /nfs/dbraw/zinc/54/59/37/747545937.db2.gz AJVTXYJLTXHENM-HZPDHXFCSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001032410922 747802793 /nfs/dbraw/zinc/80/27/93/747802793.db2.gz BAOSNRQGTOXAGV-CBBWQLFWSA-N 2 0 277.412 1.188 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001072752194 747970525 /nfs/dbraw/zinc/97/05/25/747970525.db2.gz YWLCGTWZPNXTEW-ZIAGYGMSSA-N 2 0 277.412 1.047 20 30 CDEDRP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001046839713 748217647 /nfs/dbraw/zinc/21/76/47/748217647.db2.gz SHTLGRZHXNEWNS-DZGCQCFKSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001007327185 748222531 /nfs/dbraw/zinc/22/25/31/748222531.db2.gz LQDVMIMMVASJBV-HOTGVXAUSA-N 2 0 291.439 1.463 20 30 CDEDRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)CC3(C#N)CCC3)C2)C1 ZINC000886215835 748260141 /nfs/dbraw/zinc/26/01/41/748260141.db2.gz RYSSJUOJFUFXQB-HOCLYGCPSA-N 2 0 277.412 1.459 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CC ZINC001037925879 748313353 /nfs/dbraw/zinc/31/33/53/748313353.db2.gz OSBWYZVWSOATDB-ZBFHGGJFSA-N 2 0 293.455 1.731 20 30 CDEDRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886033961 748321028 /nfs/dbraw/zinc/32/10/28/748321028.db2.gz ZVCYJJQVZIHBQE-GJZGRUSLSA-N 2 0 279.428 1.705 20 30 CDEDRP CC#CCN1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007325811 748437619 /nfs/dbraw/zinc/43/76/19/748437619.db2.gz HIHCSBOOJONQNP-JKSUJKDBSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CCNC(=O)CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886518799 748514394 /nfs/dbraw/zinc/51/43/94/748514394.db2.gz GSWXTKQOSZKUNO-UHFFFAOYSA-N 2 0 291.439 1.513 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001017942960 748630947 /nfs/dbraw/zinc/63/09/47/748630947.db2.gz WDUJZKNQBJLQPQ-HRCADAONSA-N 2 0 291.439 1.722 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999571894 748668717 /nfs/dbraw/zinc/66/87/17/748668717.db2.gz BGEYMRLIFQGZGX-JKSUJKDBSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033427055 748800199 /nfs/dbraw/zinc/80/01/99/748800199.db2.gz XJNRKKYTIKGVKR-HNNXBMFYSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001028579492 748841913 /nfs/dbraw/zinc/84/19/13/748841913.db2.gz FVRDHGLVFGFBQR-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000986568126 748900904 /nfs/dbraw/zinc/90/09/04/748900904.db2.gz UWPRULXKHCQUCE-IUODEOHRSA-N 2 0 282.347 1.160 20 30 CDEDRP CC#CCN1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001007368854 748956574 /nfs/dbraw/zinc/95/65/74/748956574.db2.gz LOZRMSHCOMQIHT-HRCADAONSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CC=C)C2)CC1 ZINC001000991971 749035973 /nfs/dbraw/zinc/03/59/73/749035973.db2.gz KUADYIBKWFTYOL-INIZCTEOSA-N 2 0 289.423 1.098 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001007492001 749047779 /nfs/dbraw/zinc/04/77/79/749047779.db2.gz KOQVLGYNMMTUQR-JKSUJKDBSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034779143 749199807 /nfs/dbraw/zinc/19/98/07/749199807.db2.gz RMZFBEOCSBVPBU-RBSFLKMASA-N 2 0 279.428 1.531 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681844 749216113 /nfs/dbraw/zinc/21/61/13/749216113.db2.gz FQQMTUGCZZWSCS-AWEZNQCLSA-N 2 0 265.401 1.191 20 30 CDEDRP CC[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)[NH+]1CCCC1 ZINC000303906055 749313767 /nfs/dbraw/zinc/31/37/67/749313767.db2.gz VVMCSCGHZJEXNR-CABCVRRESA-N 3 0 295.475 1.249 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001021093500 749352978 /nfs/dbraw/zinc/35/29/78/749352978.db2.gz DNAVUJQZWJDGSO-SHTZXODSSA-N 2 0 285.391 1.232 20 30 CDEDRP C=CCOC1CCC([NH+]2CCN(CC[NH3+])CC2)CC1 ZINC001173312923 912408337 /nfs/dbraw/zinc/40/83/37/912408337.db2.gz NHYYHDOEYTZMKL-UHFFFAOYSA-N 2 0 267.417 1.077 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001174961006 913417255 /nfs/dbraw/zinc/41/72/55/913417255.db2.gz JAZSFIKDFKVOTJ-CQSZACIVSA-N 2 0 267.417 1.226 20 30 CDEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001175047683 913442580 /nfs/dbraw/zinc/44/25/80/913442580.db2.gz AEVGGASQRPMYKK-AWEZNQCLSA-N 2 0 267.417 1.226 20 30 CDEDRP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150470797 913467323 /nfs/dbraw/zinc/46/73/23/913467323.db2.gz VHLYDTSGMMWXCJ-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249955 913716101 /nfs/dbraw/zinc/71/61/01/913716101.db2.gz UUDNESYDWBAIOO-FVQBIDKESA-N 2 0 291.439 1.034 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1C ZINC001106431320 913927403 /nfs/dbraw/zinc/92/74/03/913927403.db2.gz BFGYIEJOXQPABP-UKRRQHHQSA-N 2 0 290.411 1.452 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621513 914072897 /nfs/dbraw/zinc/07/28/97/914072897.db2.gz OUVVSDXHIDQVMF-UKRRQHHQSA-N 2 0 279.428 1.198 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001167635333 897126156 /nfs/dbraw/zinc/12/61/56/897126156.db2.gz IWTPPYKLKOOVOQ-UHFFFAOYSA-N 2 0 267.417 1.390 20 30 CDEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176565122 914179988 /nfs/dbraw/zinc/17/99/88/914179988.db2.gz SREIGGLPSFHEHD-CABCVRRESA-N 2 0 281.444 1.779 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884359 914342850 /nfs/dbraw/zinc/34/28/50/914342850.db2.gz DNVFEOLJQZGYCF-UHFFFAOYSA-N 2 0 267.417 1.534 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001104908474 899659951 /nfs/dbraw/zinc/65/99/51/899659951.db2.gz YDOBDIBXVNXOLK-OWCLPIDISA-N 2 0 291.439 1.036 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001104936192 899684827 /nfs/dbraw/zinc/68/48/27/899684827.db2.gz IOXWORUBQWAFEU-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001105014203 899788774 /nfs/dbraw/zinc/78/87/74/899788774.db2.gz GNEVNXNLVPYPCM-HZPDHXFCSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167968182 904830518 /nfs/dbraw/zinc/83/05/18/904830518.db2.gz NTBPWRFRQGXZHN-AVOUXACISA-N 2 0 250.386 1.528 20 30 CDEDRP C#Cc1ccc(C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+])cc1 ZINC001188742846 921177668 /nfs/dbraw/zinc/17/76/68/921177668.db2.gz QQDLZEMMTNNEQH-UHFFFAOYSA-N 2 0 286.379 1.345 20 30 CDEDRP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1CC ZINC001087726657 905793215 /nfs/dbraw/zinc/79/32/15/905793215.db2.gz NISUDJAZEQJQIQ-HRCADAONSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001088382298 907067882 /nfs/dbraw/zinc/06/78/82/907067882.db2.gz YPMPPLDDUAISCO-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCN1CCC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1=O ZINC001168305893 908953707 /nfs/dbraw/zinc/95/37/07/908953707.db2.gz SPISUFMOWBXVFT-NRXISQOPSA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC000989800299 909006755 /nfs/dbraw/zinc/00/67/55/909006755.db2.gz QIUKVGRTACPLNJ-CHWSQXEVSA-N 2 0 285.819 1.414 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001088702205 909136024 /nfs/dbraw/zinc/13/60/24/909136024.db2.gz JAGUFCSDDIXUDN-CABCVRRESA-N 2 0 291.439 1.770 20 30 CDEDRP C#CC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990766990 909602829 /nfs/dbraw/zinc/60/28/29/909602829.db2.gz WUCXGBXWCYPZJH-ANQUJSFKSA-N 2 0 289.423 1.073 20 30 CDEDRP C=CCOCC[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171579599 910837183 /nfs/dbraw/zinc/83/71/83/910837183.db2.gz YGVKOWDXSITALV-UHFFFAOYSA-N 2 0 285.432 1.017 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203337952 911103857 /nfs/dbraw/zinc/10/38/57/911103857.db2.gz YQQVQTKULAXRSH-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127066279 911263572 /nfs/dbraw/zinc/26/35/72/911263572.db2.gz KZNOJIOXXACOEC-HUUCEWRRSA-N 2 0 281.444 1.920 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001088859894 911991397 /nfs/dbraw/zinc/99/13/97/911991397.db2.gz PKFOJQRWCSVEEJ-OAGGEKHMSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001178517933 915477637 /nfs/dbraw/zinc/47/76/37/915477637.db2.gz ATIOSZMKKRHYRK-HUUCEWRRSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1C ZINC001179521112 915854439 /nfs/dbraw/zinc/85/44/39/915854439.db2.gz IBCKYBXZGMEGPW-SOUVJXGZSA-N 2 0 279.428 1.319 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001179550228 915879280 /nfs/dbraw/zinc/87/92/80/915879280.db2.gz SLPOGYYKWOJABG-KBPBESRZSA-N 2 0 281.444 1.729 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001179929844 916071926 /nfs/dbraw/zinc/07/19/26/916071926.db2.gz YBVSZTLENTWFSN-KBPBESRZSA-N 2 0 277.412 1.237 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCC1 ZINC001180587096 916500872 /nfs/dbraw/zinc/50/08/72/916500872.db2.gz ZYGIFAGKOWLJHG-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1C ZINC001106937140 917328538 /nfs/dbraw/zinc/32/85/38/917328538.db2.gz KJRYUUKAIXJEAX-ZIAGYGMSSA-N 2 0 290.411 1.223 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001183040371 918265985 /nfs/dbraw/zinc/26/59/85/918265985.db2.gz QWTIEMDFPQTIHS-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001183867705 918744281 /nfs/dbraw/zinc/74/42/81/918744281.db2.gz IMGWHGLYOWFEED-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001032459717 919154905 /nfs/dbraw/zinc/15/49/05/919154905.db2.gz KNGDUHUCFPWTTR-KKUMJFAQSA-N 2 0 279.428 1.434 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001185168381 919450980 /nfs/dbraw/zinc/45/09/80/919450980.db2.gz WJNGXWZVDBTRFF-SOUVJXGZSA-N 2 0 279.428 1.483 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001185751744 919755249 /nfs/dbraw/zinc/75/52/49/919755249.db2.gz QFRPBNPMOCXGTC-CVEARBPZSA-N 2 0 293.455 1.424 20 30 CDEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3ccnc3)[C@@H]2C1 ZINC001190458552 922018809 /nfs/dbraw/zinc/01/88/09/922018809.db2.gz GLDHXRZPURBHLZ-LSDHHAIUSA-N 2 0 288.395 1.382 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034736996 922789635 /nfs/dbraw/zinc/78/96/35/922789635.db2.gz GIBYOHWDLPVISV-KBUPBQIOSA-N 2 0 279.428 1.387 20 30 CDEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001192342474 923012181 /nfs/dbraw/zinc/01/21/81/923012181.db2.gz FWTOFNHQCNCFCZ-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001193029109 923421571 /nfs/dbraw/zinc/42/15/71/923421571.db2.gz YKEUVRRSQAEZEQ-MRXNPFEDSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080192661 924500328 /nfs/dbraw/zinc/50/03/28/924500328.db2.gz PVRDUGGQGJEHAI-FVQBIDKESA-N 2 0 291.439 1.483 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001101037390 936953431 /nfs/dbraw/zinc/95/34/31/936953431.db2.gz KZUUFHMSQJCZFN-UYSNPLJNSA-N 2 0 293.455 1.777 20 30 CDEDRP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001197158347 925077758 /nfs/dbraw/zinc/07/77/58/925077758.db2.gz MVXWMXNOVAOGTQ-HZPDHXFCSA-N 2 0 293.455 1.685 20 30 CDEDRP C#CCC[NH+]1CCCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001197907749 925273846 /nfs/dbraw/zinc/27/38/46/925273846.db2.gz LRQCKALGRUKPJT-UHFFFAOYSA-N 2 0 279.428 1.276 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001152480665 925475320 /nfs/dbraw/zinc/47/53/20/925475320.db2.gz YZWYHCUAAIJSAE-OAHLLOKOSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCCC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001102525401 937063556 /nfs/dbraw/zinc/06/35/56/937063556.db2.gz AKXWWRZAYPZFGX-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102780843 937087857 /nfs/dbraw/zinc/08/78/57/937087857.db2.gz QQLALNGCEOBMJZ-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001086138535 926740672 /nfs/dbraw/zinc/74/06/72/926740672.db2.gz OCBRHGHKRHFBIX-XBXGTLAGSA-N 2 0 282.347 1.066 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086175482 926790836 /nfs/dbraw/zinc/79/08/36/926790836.db2.gz YLTWELISOZPCCN-HRCADAONSA-N 2 0 293.455 1.779 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001086197742 926814954 /nfs/dbraw/zinc/81/49/54/926814954.db2.gz YPWWUTNRFFEKMT-ZZVYKPCYSA-N 2 0 299.846 1.421 20 30 CDEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001103086476 937120982 /nfs/dbraw/zinc/12/09/82/937120982.db2.gz FCMPCKSUMYUXDF-FVQBIDKESA-N 2 0 291.439 1.034 20 30 CDEDRP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001103140118 937124115 /nfs/dbraw/zinc/12/41/15/937124115.db2.gz NNVYADLBMOOMCQ-BZUAXINKSA-N 2 0 293.455 1.424 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086497448 927216503 /nfs/dbraw/zinc/21/65/03/927216503.db2.gz MGAGIIACOPBOAV-JYJNAYRXSA-N 2 0 293.455 1.920 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374787 928410069 /nfs/dbraw/zinc/41/00/69/928410069.db2.gz XMMKYBOMVRAEBI-KGLIPLIRSA-N 2 0 267.417 1.341 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151362002 937280541 /nfs/dbraw/zinc/28/05/41/937280541.db2.gz SHBDIEKCZHXCPF-UHFFFAOYSA-N 2 0 267.417 1.534 20 30 CDEDRP C=C[C@@](C)(O)C[NH+]1CCN(CCC[NH+](CC)CC)CC1 ZINC001252556432 929214589 /nfs/dbraw/zinc/21/45/89/929214589.db2.gz CBEXCOFNIIZVMD-MRXNPFEDSA-N 2 0 283.460 1.273 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152137682 937338440 /nfs/dbraw/zinc/33/84/40/937338440.db2.gz NRPRUKOIEXLUEW-VXGBXAGGSA-N 2 0 273.808 1.318 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134767372 929891066 /nfs/dbraw/zinc/89/10/66/929891066.db2.gz XBTDXELEYNONBB-HNNXBMFYSA-N 2 0 281.444 1.921 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135743598 930393349 /nfs/dbraw/zinc/39/33/49/930393349.db2.gz MTAJNABNAFSXCB-STQMWFEESA-N 2 0 289.851 1.954 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CCCCC1 ZINC001115805975 937420716 /nfs/dbraw/zinc/42/07/16/937420716.db2.gz KDYDMRGPUDHGAL-UHFFFAOYSA-N 2 0 281.444 1.923 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313442 937438694 /nfs/dbraw/zinc/43/86/94/937438694.db2.gz QXLLEBDSAZZCSM-HUUCEWRRSA-N 2 0 279.428 1.319 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001153659892 937459689 /nfs/dbraw/zinc/45/96/89/937459689.db2.gz INJXWDAGUXRHOE-CABCVRRESA-N 2 0 299.434 1.516 20 30 CDEDRP COCC[N@H+](C)CCCNC(=[NH2+])Nc1cccc(OC)c1 ZINC000104173034 931323268 /nfs/dbraw/zinc/32/32/68/931323268.db2.gz IGEGHLHDRHHHJR-UHFFFAOYSA-N 2 0 294.399 1.390 20 30 CDEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C#N)C1 ZINC001160641836 931887186 /nfs/dbraw/zinc/88/71/86/931887186.db2.gz ABLSMHJMNONEGP-KGLIPLIRSA-N 2 0 280.416 1.244 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001091212821 932009837 /nfs/dbraw/zinc/00/98/37/932009837.db2.gz BLVTZLMXRPDLFK-UHFFFAOYSA-N 2 0 279.428 1.389 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171226271 932037531 /nfs/dbraw/zinc/03/75/31/932037531.db2.gz DZKPZTIMVGJSAC-AWEZNQCLSA-N 2 0 267.417 1.390 20 30 CDEDRP C[C@H]([NH3+])c1ccc(NC(=[NH2+])c2ccc(C(N)=O)cc2)cc1 ZINC001171256501 932155309 /nfs/dbraw/zinc/15/53/09/932155309.db2.gz KGQXNXHNERBFMH-JTQLQIEISA-N 2 0 282.347 1.842 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ccnc1C ZINC001146331347 932234538 /nfs/dbraw/zinc/23/45/38/932234538.db2.gz AWDKLRUDQIDURW-QWHCGFSZSA-N 2 0 278.400 1.641 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146340098 932241851 /nfs/dbraw/zinc/24/18/51/932241851.db2.gz OAJSECOZZBPLNA-LSDHHAIUSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146392602 932243826 /nfs/dbraw/zinc/24/38/26/932243826.db2.gz WHILVKGHXFCGRF-UHFFFAOYSA-N 2 0 281.444 1.779 20 30 CDEDRP C[C@H](C#N)c1cccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c1 ZINC001148624282 932763963 /nfs/dbraw/zinc/76/39/63/932763963.db2.gz NQYIZHXZYZNUAC-LLVKDONJSA-N 2 0 287.367 1.388 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120004478 937772920 /nfs/dbraw/zinc/77/29/20/937772920.db2.gz ANBAQFWWUXUHHE-HNNXBMFYSA-N 2 0 291.439 1.370 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120422573 937798856 /nfs/dbraw/zinc/79/88/56/937798856.db2.gz MZHAHDYMHCREKH-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001096540661 936149836 /nfs/dbraw/zinc/14/98/36/936149836.db2.gz YYELOHKCYVZLAF-XGUBFFRZSA-N 2 0 277.412 1.236 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC001121911267 937889548 /nfs/dbraw/zinc/88/95/48/937889548.db2.gz RUXDEMQTMIWYBA-LSDHHAIUSA-N 2 0 281.444 1.908 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001122128044 937907132 /nfs/dbraw/zinc/90/71/32/937907132.db2.gz ZOHYASRUCGQJMV-GUTXKFCHSA-N 2 0 265.401 1.257 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001157118547 938456533 /nfs/dbraw/zinc/45/65/33/938456533.db2.gz HZJDXRBMWMUJJD-CVEARBPZSA-N 2 0 293.455 1.567 20 30 CDEDRP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001158786698 938664237 /nfs/dbraw/zinc/66/42/37/938664237.db2.gz GAKLCOAYLVLTTL-MRXNPFEDSA-N 2 0 293.455 1.664 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160862865 938834336 /nfs/dbraw/zinc/83/43/36/938834336.db2.gz YSASDPOHSOMBAG-KBPBESRZSA-N 2 0 265.401 1.285 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001161644521 938917152 /nfs/dbraw/zinc/91/71/52/938917152.db2.gz OGRABKDWSQYBPE-HNNXBMFYSA-N 2 0 279.428 1.226 20 30 CDEDRP C[C@H]1C[NH2+]CCC[C@H]1CNc1cc[nH+]c(CC#N)c1 ZINC001162466569 939061051 /nfs/dbraw/zinc/06/10/51/939061051.db2.gz NPKLNDZSQLAOSL-STQMWFEESA-N 2 0 258.369 1.617 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166687277 939626919 /nfs/dbraw/zinc/62/69/19/939626919.db2.gz LMDIKXUQIJHXTB-INIZCTEOSA-N 2 0 297.418 1.318 20 30 CDEDRP N#Cc1ccc(Cl)c(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205229818 939839859 /nfs/dbraw/zinc/83/98/59/939839859.db2.gz POAPUANRTQCBBE-HNNXBMFYSA-N 2 0 293.798 1.887 20 30 CDEDRP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207652740 940227122 /nfs/dbraw/zinc/22/71/22/940227122.db2.gz JLWVELLXTCWATI-KFWWJZLASA-N 2 0 279.428 1.032 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207698110 940232092 /nfs/dbraw/zinc/23/20/92/940232092.db2.gz SNNWMZXKGIHFKA-MGPQQGTHSA-N 2 0 267.417 1.339 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209315215 940460106 /nfs/dbraw/zinc/46/01/06/940460106.db2.gz OWMQGBBSXPFVIK-CYBMUJFWSA-N 2 0 287.835 1.661 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685444 940706896 /nfs/dbraw/zinc/70/68/96/940706896.db2.gz WBJZRROKPLWRFO-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210782585 940712444 /nfs/dbraw/zinc/71/24/44/940712444.db2.gz NZGHSMFFQDNFQC-ZDUSSCGKSA-N 2 0 287.835 1.661 20 30 CDEDRP Cn1c[nH+]cc1Nc1ccc(N2CC[NH+](C)CC2)c(C#N)c1 ZINC001211250617 940741850 /nfs/dbraw/zinc/74/18/50/940741850.db2.gz OGTVNPMIJMNBFC-UHFFFAOYSA-N 2 0 296.378 1.787 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847420 940840944 /nfs/dbraw/zinc/84/09/44/940840944.db2.gz DQMAGZAVXHMISB-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000402177784 940890109 /nfs/dbraw/zinc/89/01/09/940890109.db2.gz WZHKOPDNRJARRT-DFBGVHRSSA-N 2 0 259.353 1.403 20 30 CDEDRP N#Cc1nc2ccc(NC(=O)[C@H]([NH3+])CCC[NH3+])cc2s1 ZINC001218910302 941287563 /nfs/dbraw/zinc/28/75/63/941287563.db2.gz IVJUHPJZSLSQRE-SECBINFHSA-N 2 0 289.364 1.173 20 30 CDEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCC(C)(C)S ZINC001220487655 941450764 /nfs/dbraw/zinc/45/07/64/941450764.db2.gz XUXKXBLZHONCJZ-NSHDSACASA-N 2 0 275.462 1.307 20 30 CDEDRP C#C[C@](C)([NH3+])C(=O)NCC[PH+](C(C)C)C(C)C ZINC001221254908 941508765 /nfs/dbraw/zinc/50/87/65/941508765.db2.gz ZXEWEPLPRICXQA-ZDUSSCGKSA-N 2 0 256.330 1.752 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001222076237 941560789 /nfs/dbraw/zinc/56/07/89/941560789.db2.gz CICQBOAKOTYMQD-INIZCTEOSA-N 2 0 291.439 1.466 20 30 CDEDRP N#Cc1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)s1 ZINC001222100041 941565330 /nfs/dbraw/zinc/56/53/30/941565330.db2.gz RPYAEPUSGOBSOX-UHFFFAOYSA-N 2 0 276.409 1.147 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001224245836 941732693 /nfs/dbraw/zinc/73/26/93/941732693.db2.gz HGJDUUQTYWPWSX-CVEARBPZSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001227796844 942225957 /nfs/dbraw/zinc/22/59/57/942225957.db2.gz BZEMBUYCLRZJTK-HNNXBMFYSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001227877557 942240441 /nfs/dbraw/zinc/24/04/41/942240441.db2.gz TVYDUHYUSYOYSE-OAHLLOKOSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001229692620 942513602 /nfs/dbraw/zinc/51/36/02/942513602.db2.gz JSOKCAJFVNOEJZ-ARFHVFGLSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC001263094736 943741852 /nfs/dbraw/zinc/74/18/52/943741852.db2.gz QNWDNGLSOVFRBZ-OAHLLOKOSA-N 2 0 279.428 1.757 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001263106110 943748202 /nfs/dbraw/zinc/74/82/02/943748202.db2.gz LUSQOWXAPSTRBQ-AWEZNQCLSA-N 2 0 279.428 1.662 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001277924198 944060896 /nfs/dbraw/zinc/06/08/96/944060896.db2.gz BTQDXYNYTANUGW-HRCADAONSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCOCCOCC[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001258902426 945443485 /nfs/dbraw/zinc/44/34/85/945443485.db2.gz CPIIDEBBVGDOEK-INIZCTEOSA-N 2 0 284.444 1.753 20 30 CDEDRP N#C[C@H]1CC[C@H]([NH2+]CCCOCCOCCC[NH3+])C1 ZINC001254637300 947563872 /nfs/dbraw/zinc/56/38/72/947563872.db2.gz OMZYUSMKTBEOBD-KBPBESRZSA-N 2 0 269.389 1.040 20 30 CDEDRP CC[C@@H](CC#N)NC(=[NH2+])SCCSC(N)=[NH2+] ZINC001255155860 947756512 /nfs/dbraw/zinc/75/65/12/947756512.db2.gz BQWIKKJEBPCEQE-ZETCQYMHSA-N 2 0 259.404 1.563 20 30 CDEDRP CCCCCCCC[C@H](O)C[NH2+]CCNCC[NH3+] ZINC001246010651 947890210 /nfs/dbraw/zinc/89/02/10/947890210.db2.gz YEDOXAPTOOIFAS-AWEZNQCLSA-N 2 0 259.438 1.236 20 30 CDEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246306358 948096345 /nfs/dbraw/zinc/09/63/45/948096345.db2.gz UAOQFULWUHCZKF-BTTYYORXSA-N 2 0 287.363 1.462 20 30 CDEDRP C[C@@H]1C[C@@H](N2CC[C@@H]3SC(=O)C=C3C2)CC[NH2+]1 ZINC001246692936 948407491 /nfs/dbraw/zinc/40/74/91/948407491.db2.gz ITLPZYVDPURDGA-USWWRNFRSA-N 2 0 252.383 1.401 20 30 CDEDRP CCCC[N@H+](CCC#N)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246771199 948424186 /nfs/dbraw/zinc/42/41/86/948424186.db2.gz WKAUPDQDQBQGNR-ZDUSSCGKSA-N 2 0 250.390 1.096 20 30 CDEDRP C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246818159 948456330 /nfs/dbraw/zinc/45/63/30/948456330.db2.gz XAWHISRKMCTCCL-FUHWJXTLSA-N 2 0 295.430 1.703 20 30 CDEDRP C[N@@H+](Cc1cnn2ccc(C#N)cc12)CC1CC[NH+](C)CC1 ZINC001249107554 949387794 /nfs/dbraw/zinc/38/77/94/949387794.db2.gz YLZVNURQCWDMHA-UHFFFAOYSA-N 2 0 297.406 1.980 20 30 CDEDRP C=CCOC[C@H](O)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001252470702 951323374 /nfs/dbraw/zinc/32/33/74/951323374.db2.gz NNBOUQHINGFMPP-GVDBMIGSSA-N 2 0 296.455 1.889 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001480662553 971826075 /nfs/dbraw/zinc/82/60/75/971826075.db2.gz XSCJBZPMXHCIMV-CYBMUJFWSA-N 2 0 287.835 1.519 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001318292691 958014717 /nfs/dbraw/zinc/01/47/17/958014717.db2.gz SSJFKKOENGOKHD-QWHCGFSZSA-N 2 0 253.390 1.093 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001324264143 961270381 /nfs/dbraw/zinc/27/03/81/961270381.db2.gz RERBTMFHCFGGDC-KBPBESRZSA-N 2 0 267.417 1.339 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC(CC[NH2+]C)CC1 ZINC001340904780 963179882 /nfs/dbraw/zinc/17/98/82/963179882.db2.gz BIXUYLAYFDFIBL-CQSZACIVSA-N 2 0 267.417 1.518 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC001341664764 963503847 /nfs/dbraw/zinc/50/38/47/963503847.db2.gz FTVNOTKWAMDWIJ-HRCADAONSA-N 2 0 287.407 1.623 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC001341664763 963503861 /nfs/dbraw/zinc/50/38/61/963503861.db2.gz FTVNOTKWAMDWIJ-ARFHVFGLSA-N 2 0 287.407 1.623 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC001343407760 963972253 /nfs/dbraw/zinc/97/22/53/963972253.db2.gz LEINDFMNDKNFRG-CABCVRRESA-N 2 0 281.444 1.907 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC001353468495 967999991 /nfs/dbraw/zinc/99/99/91/967999991.db2.gz DNBNIIAQNSVHOW-UONOGXRCSA-N 2 0 267.417 1.613 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001100377875 968165415 /nfs/dbraw/zinc/16/54/15/968165415.db2.gz NXFMYCAIYUPMQI-YMAMQOFZSA-N 2 0 297.418 1.174 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC001354319517 968640602 /nfs/dbraw/zinc/64/06/02/968640602.db2.gz UFIFVTGTHHVDRN-QWHCGFSZSA-N 2 0 253.390 1.271 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001375212400 974293084 /nfs/dbraw/zinc/29/30/84/974293084.db2.gz DYFGFIBIGJBNPI-QWHCGFSZSA-N 2 0 285.819 1.318 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001133072131 1163560495 /nfs/dbraw/zinc/56/04/95/1163560495.db2.gz GDAUKPQKCJBPMB-CVEARBPZSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133091906 1163569487 /nfs/dbraw/zinc/56/94/87/1163569487.db2.gz WBQHLQKNMYZSKH-JKSUJKDBSA-N 2 0 295.471 1.979 20 30 CDEDRP CC[NH2+]CC1CC[NH+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC001577836922 1171753002 /nfs/dbraw/zinc/75/30/02/1171753002.db2.gz AEIADZSOXBOIRO-CQSZACIVSA-N 2 0 265.401 1.363 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC000591667754 342641102 /nfs/dbraw/zinc/64/11/02/342641102.db2.gz VSHTWKZZPCNQFO-HZPDHXFCSA-N 2 0 293.455 1.753 20 30 CDEDRP N#Cc1ccc(CC[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000595895643 343183222 /nfs/dbraw/zinc/18/32/22/343183222.db2.gz RCFITFXDFYNYFJ-MSOLQXFVSA-N 2 0 299.418 1.929 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)o1 ZINC000600769264 349879397 /nfs/dbraw/zinc/87/93/97/349879397.db2.gz KYMQTZCXHXWJCE-ZDUSSCGKSA-N 2 0 259.353 1.973 20 30 CDEDRP CN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000619672022 347723121 /nfs/dbraw/zinc/72/31/21/347723121.db2.gz NJMOOYCQWLHGPH-LSDHHAIUSA-N 2 0 264.417 1.296 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(O)cc1 ZINC000264058024 362953486 /nfs/dbraw/zinc/95/34/86/362953486.db2.gz BSVCKLZNUQHRQA-CQSZACIVSA-N 2 0 290.411 1.323 20 30 CDEDRP CCN(CC)C(=[NH2+])NCc1ccc(OCC[NH+](C)C)cc1 ZINC000264098779 362966728 /nfs/dbraw/zinc/96/67/28/362966728.db2.gz MHZYMZFNIIMOKS-UHFFFAOYSA-N 2 0 292.427 1.784 20 30 CDEDRP CCNC(=[NH2+])NCCC[N@@H+]1CCc2ccccc2C1 ZINC000264098659 362967007 /nfs/dbraw/zinc/96/70/07/362967007.db2.gz NHUCVBGFJAABIL-UHFFFAOYSA-N 2 0 260.385 1.359 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000365306468 359299200 /nfs/dbraw/zinc/29/92/00/359299200.db2.gz DTCQPCDBIYDERY-INIZCTEOSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CCN(C)CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297431637 200188221 /nfs/dbraw/zinc/18/82/21/200188221.db2.gz VJFPTDVWHUORDH-AWEZNQCLSA-N 2 0 258.365 1.924 20 30 CDEDRP N#CC1(c2ccc(C[NH2+]CCOCCC[NH3+])cc2)CC1 ZINC001580041181 1172329758 /nfs/dbraw/zinc/32/97/58/1172329758.db2.gz WRPJVJRMZIOGMS-UHFFFAOYSA-N 2 0 273.380 1.697 20 30 CDEDRP CN(C)C(=[NH2+])NCCC[N@@H+]1CCc2ccccc2C1 ZINC000170913515 365162667 /nfs/dbraw/zinc/16/26/67/365162667.db2.gz FAAVZPISGQRVKP-UHFFFAOYSA-N 2 0 260.385 1.311 20 30 CDEDRP C[N@H+](CCCSCC#N)C[C@H]1CCC[NH+](C)C1 ZINC000080629269 369921047 /nfs/dbraw/zinc/92/10/47/369921047.db2.gz OIZHOQHOICFTNO-ZDUSSCGKSA-N 2 0 255.431 1.907 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)Cn1ccnc1C ZINC001661968985 1172472097 /nfs/dbraw/zinc/47/20/97/1172472097.db2.gz ZWAUJSCHZHBSQO-HNNXBMFYSA-N 2 0 288.395 1.186 20 30 CDEDRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CC[C@H](C#N)C3)ccn2)CC1 ZINC000571743756 377521322 /nfs/dbraw/zinc/52/13/22/377521322.db2.gz KZSYXDMQEGKGND-GOEBONIOSA-N 2 0 299.422 1.615 20 30 CDEDRP Cc1cc(CNC[C@@](C)(O)C[NH+](C)C)ccc1C#N ZINC000444002232 250071728 /nfs/dbraw/zinc/07/17/28/250071728.db2.gz FEDGYAXHRBGYOB-OAHLLOKOSA-N 2 0 261.369 1.269 20 30 CDEDRP Cc1nccn1-c1ccc(CNC(=[NH2+])N2CCCCC2)cn1 ZINC000303889740 391139071 /nfs/dbraw/zinc/13/90/71/391139071.db2.gz MBSSPQATEVEJHZ-UHFFFAOYSA-N 2 0 298.394 1.876 20 30 CDEDRP C[NH+](C)CCNC(=O)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000339034479 391244370 /nfs/dbraw/zinc/24/43/70/391244370.db2.gz SVSJPMDWTKRZHB-HIFRSBDPSA-N 2 0 292.427 1.068 20 30 CDEDRP C=CCC[C@@H](O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000363879042 391271953 /nfs/dbraw/zinc/27/19/53/391271953.db2.gz JJELNTPXSUKVHD-IAGOWNOFSA-N 2 0 295.471 1.414 20 30 CDEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)cc1 ZINC000185878155 286808744 /nfs/dbraw/zinc/80/87/44/286808744.db2.gz HNZQYSOULFRQPP-HNNXBMFYSA-N 2 0 286.423 1.674 20 30 CDEDRP C=CCC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)C1CC1 ZINC000665291899 414028524 /nfs/dbraw/zinc/02/85/24/414028524.db2.gz NNWIRGIUYUFILB-LBPRGKRZSA-N 2 0 262.357 1.475 20 30 CDEDRP C=CCOCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000311638267 414178638 /nfs/dbraw/zinc/17/86/38/414178638.db2.gz OOTBCKKTYINXSX-UHFFFAOYSA-N 2 0 261.369 1.843 20 30 CDEDRP CCNC(NCc1ccc(OCC[NH+](C)C)cc1)=[NH+]CC ZINC000161518470 261249112 /nfs/dbraw/zinc/24/91/12/261249112.db2.gz CDGFSNSWIQGMRJ-UHFFFAOYSA-N 2 0 292.427 1.702 20 30 CDEDRP C#CCN1CCN(C(=O)C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)CC1 ZINC000491019465 261297518 /nfs/dbraw/zinc/29/75/18/261297518.db2.gz AMLWGPVSKPGMLP-OWCLPIDISA-N 2 0 291.439 1.178 20 30 CDEDRP COCCNC(=[NH2+])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000195522356 262251824 /nfs/dbraw/zinc/25/18/24/262251824.db2.gz QVUBLEJUWKIBII-UHFFFAOYSA-N 2 0 290.411 1.333 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000364740255 262260951 /nfs/dbraw/zinc/26/09/51/262260951.db2.gz PYUQEWIGWXOFEB-HOTGVXAUSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000252702601 264305353 /nfs/dbraw/zinc/30/53/53/264305353.db2.gz IAEXXISNGRXSDH-LSDHHAIUSA-N 2 0 279.428 1.533 20 30 CDEDRP N#Cc1ccc(N2CCC([NH2+]CCCC[NH3+])CC2)cc1 ZINC000423326327 274923543 /nfs/dbraw/zinc/92/35/43/274923543.db2.gz MDDADCXWLVZUFX-UHFFFAOYSA-N 2 0 272.396 1.856 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCCC)CC1 ZINC000236785581 329690392 /nfs/dbraw/zinc/69/03/92/329690392.db2.gz SXLRPFKVAYPQCP-ZDUSSCGKSA-N 2 0 253.390 1.271 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCS1 ZINC000262432005 330010267 /nfs/dbraw/zinc/01/02/67/330010267.db2.gz SPAYPZHXLJWMHL-NWDGAFQWSA-N 2 0 270.446 1.271 20 30 CDEDRP C[NH+]=C(NCc1ccco1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262439347 330013184 /nfs/dbraw/zinc/01/31/84/330013184.db2.gz HHMDTJREPQSWDM-CQSZACIVSA-N 2 0 290.411 1.915 20 30 CDEDRP C[NH+]=C(NCC1CCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262464448 330014849 /nfs/dbraw/zinc/01/48/49/330014849.db2.gz NHWWSBACLOBHFN-OAHLLOKOSA-N 2 0 278.444 1.922 20 30 CDEDRP COC1CC[NH+](C(C)(C)CNC(=[NH2+])NC(C)(C)C)CC1 ZINC000262530022 330019775 /nfs/dbraw/zinc/01/97/75/330019775.db2.gz NDMXYFTYGBTZQS-UHFFFAOYSA-N 2 0 284.448 1.579 20 30 CDEDRP C#CCNC(NC[C@@H]1CCC[N@@H+](C(C)C)C1)=[NH+]CC ZINC000262623316 330023140 /nfs/dbraw/zinc/02/31/40/330023140.db2.gz QSBXREXRCYABHU-AWEZNQCLSA-N 2 0 264.417 1.295 20 30 CDEDRP CC(C)C[N@@H+]1CCC[C@@H](CNC2=[NH+]CCN2C)C1 ZINC000262676484 330026240 /nfs/dbraw/zinc/02/62/40/330026240.db2.gz UBMFDPJLNBOTHI-ZDUSSCGKSA-N 2 0 252.406 1.245 20 30 CDEDRP [NH2+]=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CCSCC1 ZINC000262721529 330028598 /nfs/dbraw/zinc/02/85/98/330028598.db2.gz FVEQSJHQTNBJQL-ZDUSSCGKSA-N 2 0 282.457 1.367 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCC(C#N)CC1 ZINC000262776313 330030816 /nfs/dbraw/zinc/03/08/16/330030816.db2.gz JHTYPIVQIXKEIS-NRXISQOPSA-N 2 0 291.443 1.705 20 30 CDEDRP CN(C)C(=[NH+]CC[N@@H+]1CCCC(C)(C)C1)N(C)C ZINC000263013107 330038813 /nfs/dbraw/zinc/03/88/13/330038813.db2.gz YXYUYDNRUNKCDL-UHFFFAOYSA-N 2 0 254.422 1.588 20 30 CDEDRP C=CCN1CC[C@H]([N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)C1=O ZINC000422633856 330150506 /nfs/dbraw/zinc/15/05/06/330150506.db2.gz IVVZYZFOCMVEPR-MQYQWHSLSA-N 2 0 265.401 1.079 20 30 CDEDRP C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000423455012 330203357 /nfs/dbraw/zinc/20/33/57/330203357.db2.gz MCTRFMZSPKJCTB-SMKXDYDZSA-N 2 0 293.455 1.824 20 30 CDEDRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424149277 330295860 /nfs/dbraw/zinc/29/58/60/330295860.db2.gz WFAXKFDTVMQBKM-KGLIPLIRSA-N 2 0 280.416 1.340 20 30 CDEDRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424150995 330296973 /nfs/dbraw/zinc/29/69/73/330296973.db2.gz GWTPPZAJLWDHIE-MCIONIFRSA-N 2 0 280.416 1.387 20 30 CDEDRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]([NH3+])CCCC#N ZINC000424170532 330310866 /nfs/dbraw/zinc/31/08/66/330310866.db2.gz BHLKGXQFSXPNNQ-GXTWGEPZSA-N 2 0 280.416 1.196 20 30 CDEDRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442780796 330782564 /nfs/dbraw/zinc/78/25/64/330782564.db2.gz GRXRAJGOEBPCCN-UONOGXRCSA-N 2 0 264.417 1.294 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH+](CC)CC)CC1 ZINC000490589310 332093522 /nfs/dbraw/zinc/09/35/22/332093522.db2.gz DJVMRHPTEGSMAK-CQSZACIVSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)OCC[C@H]2CCCC[N@H+]2C)CC1 ZINC000490893634 332126094 /nfs/dbraw/zinc/12/60/94/332126094.db2.gz WIEYSTKVJIZRMI-MRXNPFEDSA-N 2 0 292.423 1.749 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)CC1 ZINC000491180080 332161213 /nfs/dbraw/zinc/16/12/13/332161213.db2.gz JNSXAXUZBMMPJF-JKSUJKDBSA-N 2 0 289.423 1.027 20 30 CDEDRP C#CC[NH+](C)CCCNC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000491675937 332281536 /nfs/dbraw/zinc/28/15/36/332281536.db2.gz MYTSRFDOXXXVSU-HNNXBMFYSA-N 2 0 279.428 1.322 20 30 CDEDRP C#CCNC(=O)CC[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000491703324 332297320 /nfs/dbraw/zinc/29/73/20/332297320.db2.gz WUPQJFYKVZGMEA-HOTGVXAUSA-N 2 0 293.455 1.474 20 30 CDEDRP CC#CC[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001755321048 1159833628 /nfs/dbraw/zinc/83/36/28/1159833628.db2.gz FBPIASYCOAEHEV-OAHLLOKOSA-N 2 0 293.455 1.567 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001113561530 1162222041 /nfs/dbraw/zinc/22/20/41/1162222041.db2.gz GFWQGIZMKVGFPE-UHFFFAOYSA-N 2 0 267.417 1.439 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000352015892 526445245 /nfs/dbraw/zinc/44/52/45/526445245.db2.gz SULVELVOVKFGQF-UHFFFAOYSA-N 2 0 267.417 1.439 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH2+][C@H](C)[C@H]2C)CC1 ZINC000334904880 526586906 /nfs/dbraw/zinc/58/69/06/526586906.db2.gz AKJSNGKMQAVZTN-ZIAGYGMSSA-N 2 0 294.443 1.419 20 30 CDEDRP Cn1cc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1C#N ZINC000190747487 535872296 /nfs/dbraw/zinc/87/22/96/535872296.db2.gz BHSXZRACWZVFOW-UHFFFAOYSA-N 2 0 289.427 1.012 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000732139120 575081258 /nfs/dbraw/zinc/08/12/58/575081258.db2.gz LPTMHJFHTRLUFP-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942717860 613225404 /nfs/dbraw/zinc/22/54/04/613225404.db2.gz ASQDXXYUXSIJRZ-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000981283615 613310816 /nfs/dbraw/zinc/31/08/16/613310816.db2.gz ZAQOMXLKQZYDHI-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC000939810520 613349936 /nfs/dbraw/zinc/34/99/36/613349936.db2.gz NBYGFEGAWCRIDD-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000970051975 613482079 /nfs/dbraw/zinc/48/20/79/613482079.db2.gz VFTHRGYNDQHBIO-CQSZACIVSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000968781675 613686384 /nfs/dbraw/zinc/68/63/84/613686384.db2.gz OVNOGMSGSSSQLJ-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP CC(C)CNC(=[NH2+])NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000157386311 617983453 /nfs/dbraw/zinc/98/34/53/617983453.db2.gz SFSWYYJYQAKEGM-AWEZNQCLSA-N 2 0 268.449 1.915 20 30 CDEDRP C[NH+]1CCC(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)CC1 ZINC000895492629 619693297 /nfs/dbraw/zinc/69/32/97/619693297.db2.gz CCCOLYLDBVFLHW-UHFFFAOYSA-N 2 0 299.422 1.417 20 30 CDEDRP C=CCc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc(OC)c1O ZINC000906508289 627296082 /nfs/dbraw/zinc/29/60/82/627296082.db2.gz LEBLQVKYFMEODN-JOCQHMNTSA-N 2 0 262.353 1.709 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC(C)(C)C[NH3+] ZINC000911762950 629479791 /nfs/dbraw/zinc/47/97/91/629479791.db2.gz TWQXAHCRPSVEEJ-LBPRGKRZSA-N 2 0 257.422 1.918 20 30 CDEDRP CC(C)[C@@H](C(=O)NCC#CC[NH+](C)C)[NH+]1CCCCC1 ZINC000913517728 630522309 /nfs/dbraw/zinc/52/23/09/630522309.db2.gz NJHKBWDSTMMTNH-HNNXBMFYSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947283 1162510214 /nfs/dbraw/zinc/51/02/14/1162510214.db2.gz RTEJXAZUXTUGPP-KBPBESRZSA-N 2 0 269.433 1.633 20 30 CDEDRP C=CCCC[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001752885482 1161341439 /nfs/dbraw/zinc/34/14/39/1161341439.db2.gz MVIAYDGKUYMDJW-CQSZACIVSA-N 2 0 279.428 1.675 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001113545488 1162212160 /nfs/dbraw/zinc/21/21/60/1162212160.db2.gz RJCNLEWZIXYLJO-HNNXBMFYSA-N 2 0 297.443 1.064 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132433959 1163287744 /nfs/dbraw/zinc/28/77/44/1163287744.db2.gz SHTXZYHIMAFSJW-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132849039 1163493471 /nfs/dbraw/zinc/49/34/71/1163493471.db2.gz ZLJRSBRWRBHOFF-LSDHHAIUSA-N 2 0 297.443 1.156 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133090654 1163567163 /nfs/dbraw/zinc/56/71/63/1163567163.db2.gz JWFXEYXVJUXBBU-LSDHHAIUSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001566590273 1168350312 /nfs/dbraw/zinc/35/03/12/1168350312.db2.gz MUUXYSCIQHVLTL-HNNXBMFYSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C1CC[NH+](Cc2ccc(N3CC[NH2+]CC3)o2)CC1 ZINC001574867978 1171030970 /nfs/dbraw/zinc/03/09/70/1171030970.db2.gz WKZBUBKAIYHZIV-UHFFFAOYSA-N 2 0 261.369 1.841 20 30 CDEDRP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC001579554006 1172209677 /nfs/dbraw/zinc/20/96/77/1172209677.db2.gz JIKBIBFMAGLOHU-OAHLLOKOSA-N 2 0 285.391 1.786 20 30 CDEDRP N#Cc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C2 ZINC001580072088 1172342389 /nfs/dbraw/zinc/34/23/89/1172342389.db2.gz IQZWJOKRXZXFBU-CJNGLKHVSA-N 2 0 255.365 1.615 20 30 CDEDRP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001716039635 1180012574 /nfs/dbraw/zinc/01/25/74/1180012574.db2.gz QUQOVFMMTSTIHN-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP Cc1cc(C#N)ccc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193631285 1184598975 /nfs/dbraw/zinc/59/89/75/1184598975.db2.gz JKRRLVGJDRBYHU-IYBDPMFKSA-N 2 0 255.365 1.860 20 30 CDEDRP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001753354944 1185166514 /nfs/dbraw/zinc/16/65/14/1185166514.db2.gz MBHCOVQKTOGRIR-JYJNAYRXSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001753448088 1185213242 /nfs/dbraw/zinc/21/32/42/1185213242.db2.gz MQBYHMZCWZZEBW-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[N@@H+](C)CCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001753863424 1185367825 /nfs/dbraw/zinc/36/78/25/1185367825.db2.gz WZSGZRMEFHCLNE-INIZCTEOSA-N 2 0 297.418 1.222 20 30 CDEDRP C#CCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@H]21 ZINC001753874681 1185375476 /nfs/dbraw/zinc/37/54/76/1185375476.db2.gz AKHATCXNMVMRIT-JKSUJKDBSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001753953173 1185406661 /nfs/dbraw/zinc/40/66/61/1185406661.db2.gz JMMGHIFPCXHONY-OLZOCXBDSA-N 2 0 253.390 1.141 20 30 CDEDRP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001754316662 1185572936 /nfs/dbraw/zinc/57/29/36/1185572936.db2.gz QFLHQXNLUAVIRI-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001754325830 1185578286 /nfs/dbraw/zinc/57/82/86/1185578286.db2.gz WUIINORTEBCSTK-GJZGRUSLSA-N 2 0 281.444 1.731 20 30 CDEDRP C=C(C)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001754524374 1185658401 /nfs/dbraw/zinc/65/84/01/1185658401.db2.gz CXZBEQPWMCRFTD-ZDUSSCGKSA-N 2 0 265.401 1.143 20 30 CDEDRP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001755079683 1185808381 /nfs/dbraw/zinc/80/83/81/1185808381.db2.gz ORQMRJVQTCHXQT-KRWDZBQOSA-N 2 0 291.439 1.276 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001755188508 1185843160 /nfs/dbraw/zinc/84/31/60/1185843160.db2.gz GUTHHRLDKKYPCJ-KGLIPLIRSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)CCC ZINC001755201372 1185850824 /nfs/dbraw/zinc/85/08/24/1185850824.db2.gz QUFBITPPBLSQJO-HNNXBMFYSA-N 2 0 281.444 1.827 20 30 CDEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001755379597 1185935848 /nfs/dbraw/zinc/93/58/48/1185935848.db2.gz QEDCQOYTNDJVQB-ZDUSSCGKSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001755657571 1186027085 /nfs/dbraw/zinc/02/70/85/1186027085.db2.gz ARSPVNZZVMDENT-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001755662770 1186028125 /nfs/dbraw/zinc/02/81/25/1186028125.db2.gz HAIRPXNXRMWCSC-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP C#CCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001755701659 1186041899 /nfs/dbraw/zinc/04/18/99/1186041899.db2.gz MDDGZJNBYDTOCX-INMHGKMJSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999407717 751352228 /nfs/dbraw/zinc/35/22/28/751352228.db2.gz PHVVTWKFGLPMFC-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296227 751484625 /nfs/dbraw/zinc/48/46/25/751484625.db2.gz RGJKZEMILRZFNB-CVEARBPZSA-N 2 0 291.439 1.580 20 30 CDEDRP CCN(CC)C(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000303770159 753831461 /nfs/dbraw/zinc/83/14/61/753831461.db2.gz BQOXVPSNBHLPNH-ZDUSSCGKSA-N 2 0 254.422 1.763 20 30 CDEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCSCC1 ZINC000304759181 751629574 /nfs/dbraw/zinc/62/95/74/751629574.db2.gz QWRKMYRKPDOMTM-GFCCVEGCSA-N 2 0 270.446 1.224 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[C@H]1CCCCO1 ZINC000305802861 751648831 /nfs/dbraw/zinc/64/88/31/751648831.db2.gz FEXYIAWMOLOZCZ-HUUCEWRRSA-N 2 0 296.459 1.724 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCCSC ZINC000187050481 751689662 /nfs/dbraw/zinc/68/96/62/751689662.db2.gz TUOBWUFRQIVSSX-ZDUSSCGKSA-N 2 0 286.489 1.908 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001049897233 751721973 /nfs/dbraw/zinc/72/19/73/751721973.db2.gz QUROFLOELQXNKP-BZUAXINKSA-N 2 0 291.439 1.580 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071995844 751815858 /nfs/dbraw/zinc/81/58/58/751815858.db2.gz NZWQZCPVKZDSAK-HUUCEWRRSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999595753 751833945 /nfs/dbraw/zinc/83/39/45/751833945.db2.gz IXZGZFTTXBTYFF-OAHLLOKOSA-N 2 0 291.439 1.772 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993762654 751977485 /nfs/dbraw/zinc/97/74/85/751977485.db2.gz QUKQPMUSLGXDNG-GOEBONIOSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001000377382 752056556 /nfs/dbraw/zinc/05/65/56/752056556.db2.gz KULOQMVORUATJB-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052819927 752097271 /nfs/dbraw/zinc/09/72/71/752097271.db2.gz JMQFEIHVCYFYCM-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001000690928 749421648 /nfs/dbraw/zinc/42/16/48/749421648.db2.gz XPHCQFVGIJXDLV-KBPBESRZSA-N 2 0 299.846 1.661 20 30 CDEDRP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034378741 749426416 /nfs/dbraw/zinc/42/64/16/749426416.db2.gz XKOHUUDJIXXREX-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP [NH2+]=C(NCC[NH+]1CCCCCC1)N1CCCCC1 ZINC000303902207 749667307 /nfs/dbraw/zinc/66/73/07/749667307.db2.gz TUINWSQZHKGLPD-UHFFFAOYSA-N 2 0 252.406 1.663 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000989683788 749842078 /nfs/dbraw/zinc/84/20/78/749842078.db2.gz SAEKOSRZQRKUDU-CHWSQXEVSA-N 2 0 297.830 1.414 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC000989828537 749892836 /nfs/dbraw/zinc/89/28/36/749892836.db2.gz FKQGKQHUVKWBKL-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCCN1CC(N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001042901085 750010556 /nfs/dbraw/zinc/01/05/56/750010556.db2.gz WHMIQTSUFVQLFP-OAHLLOKOSA-N 2 0 293.455 1.683 20 30 CDEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001045621748 750029922 /nfs/dbraw/zinc/02/99/22/750029922.db2.gz RHHVQEJLDOJOKJ-UHFFFAOYSA-N 2 0 291.439 1.629 20 30 CDEDRP CC[C@H](C)NC(=[NH2+])NCCCCn1ccnc1C ZINC000304359497 750105104 /nfs/dbraw/zinc/10/51/04/750105104.db2.gz XMOANXMYDRGNQP-NSHDSACASA-N 2 0 251.378 1.675 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCCCC1 ZINC000104176368 750179122 /nfs/dbraw/zinc/17/91/22/750179122.db2.gz COOJJNVRYDAJKA-CQSZACIVSA-N 2 0 284.448 1.439 20 30 CDEDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000925893136 750248737 /nfs/dbraw/zinc/24/87/37/750248737.db2.gz LQNVXTVSTLYCQQ-OCCSQVGLSA-N 2 0 273.384 1.343 20 30 CDEDRP C[C@H]1CCCC[N@@H+]1CC(N)=NOCC[NH+]1CCCCC1 ZINC000194392591 750320308 /nfs/dbraw/zinc/32/03/08/750320308.db2.gz VLUOFPXKDLCKMU-AWEZNQCLSA-N 2 0 282.432 1.636 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@H](CC(C)C)[NH+]1CCCC1 ZINC000303769442 750328357 /nfs/dbraw/zinc/32/83/57/750328357.db2.gz BAPXSACWSQHIOQ-AWEZNQCLSA-N 2 0 266.433 1.977 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050753200 750331111 /nfs/dbraw/zinc/33/11/11/750331111.db2.gz DSCQCGMZMDTJJN-OAHLLOKOSA-N 2 0 291.439 1.439 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999168811 750603705 /nfs/dbraw/zinc/60/37/05/750603705.db2.gz JXUUEHNOVJDRBJ-UYSNPLJNSA-N 2 0 289.423 1.073 20 30 CDEDRP C#CCNC(=O)[C@@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000880516938 750789911 /nfs/dbraw/zinc/78/99/11/750789911.db2.gz FHBYDFPEDZPYRW-OAHLLOKOSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H]1C ZINC000993806462 750805733 /nfs/dbraw/zinc/80/57/33/750805733.db2.gz PCGJOHFOMQTJOB-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C[NH+]=C(NCC1CC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261942213 750807393 /nfs/dbraw/zinc/80/73/93/750807393.db2.gz DTXPAVIUPVCBRM-GXFFZTMASA-N 2 0 250.390 1.044 20 30 CDEDRP C=CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033420443 750845922 /nfs/dbraw/zinc/84/59/22/750845922.db2.gz OZBLWSGUZKMHEX-KGLIPLIRSA-N 2 0 265.401 1.047 20 30 CDEDRP C=C(C)C[NH+]1CCC(N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925609074 750852319 /nfs/dbraw/zinc/85/23/19/750852319.db2.gz OKFXLWVCFHGMFM-XSIBGMEISA-N 2 0 275.440 1.613 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015999403 750879162 /nfs/dbraw/zinc/87/91/62/750879162.db2.gz VBRCWEVWNDYEEE-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCO[C@H](C)C#N)C[C@H]1C ZINC000801924871 751009311 /nfs/dbraw/zinc/00/93/11/751009311.db2.gz XEGINNICIQZRBB-MCIONIFRSA-N 2 0 253.390 1.720 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000923380981 751015285 /nfs/dbraw/zinc/01/52/85/751015285.db2.gz YTCWSEGKBSYONN-PMPSAXMXSA-N 2 0 282.428 1.532 20 30 CDEDRP CCCCCCC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000109192283 751040671 /nfs/dbraw/zinc/04/06/71/751040671.db2.gz DAMDKLBHDDLBDP-AWEZNQCLSA-N 2 0 269.433 1.744 20 30 CDEDRP C[NH+]=C(NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)NC1CC1 ZINC000103337919 751043653 /nfs/dbraw/zinc/04/36/53/751043653.db2.gz DDIBFJUWQMBZGM-RYUDHWBXSA-N 2 0 252.406 1.434 20 30 CDEDRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@@H]2C1 ZINC000931437355 751076983 /nfs/dbraw/zinc/07/69/83/751076983.db2.gz BJWICVFEGVFWKV-CVEARBPZSA-N 2 0 285.391 1.972 20 30 CDEDRP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000985433550 751138570 /nfs/dbraw/zinc/13/85/70/751138570.db2.gz MDLCJLZQCAVUGE-MRXNPFEDSA-N 2 0 291.439 1.415 20 30 CDEDRP CN1CCC[NH+]=C1NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000263178816 751321747 /nfs/dbraw/zinc/32/17/47/751321747.db2.gz TWNASVZCUUFRCT-LBPRGKRZSA-N 2 0 252.406 1.388 20 30 CDEDRP CC#CC[N@H+]1CC=C(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001117078 752326582 /nfs/dbraw/zinc/32/65/82/752326582.db2.gz VLOQVLNTAQYODY-UHFFFAOYSA-N 2 0 289.423 1.100 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000303908295 752454177 /nfs/dbraw/zinc/45/41/77/752454177.db2.gz XLDXHNMTGHILFW-KBPBESRZSA-N 2 0 284.448 1.438 20 30 CDEDRP C[NH+]=C(NCC(C)(C)[NH+](C)C)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261794016 752535992 /nfs/dbraw/zinc/53/59/92/752535992.db2.gz OTFBXTKVQQJSKU-VXGBXAGGSA-N 2 0 284.448 1.305 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032601875 752759195 /nfs/dbraw/zinc/75/91/95/752759195.db2.gz GQKIAGDTCBDGPW-GJZGRUSLSA-N 2 0 277.412 1.189 20 30 CDEDRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])N2CCSCC2)C1 ZINC000261964103 753010492 /nfs/dbraw/zinc/01/04/92/753010492.db2.gz AJAKZIDIIOUWNO-GFCCVEGCSA-N 2 0 270.446 1.082 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000813462627 753103088 /nfs/dbraw/zinc/10/30/88/753103088.db2.gz ZOTQUAIAPMZKAK-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001031666613 753118567 /nfs/dbraw/zinc/11/85/67/753118567.db2.gz QRILSBPNCZCEBS-HNNXBMFYSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001020591712 753164994 /nfs/dbraw/zinc/16/49/94/753164994.db2.gz STNRVBHVSWWEOH-BQUFFADESA-N 2 0 285.819 1.173 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001020926139 753192306 /nfs/dbraw/zinc/19/23/06/753192306.db2.gz BQMMUBSPLPATSO-VGWMRTNUSA-N 2 0 293.455 1.920 20 30 CDEDRP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NCCC ZINC000303871758 753273569 /nfs/dbraw/zinc/27/35/69/753273569.db2.gz GAYUTISCJNPLIS-ZDUSSCGKSA-N 2 0 254.422 1.955 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC[C@@H](C)[NH+]1CCCC1 ZINC000848986632 753286094 /nfs/dbraw/zinc/28/60/94/753286094.db2.gz OADVBQGMQVDBOI-GFCCVEGCSA-N 2 0 264.373 1.429 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000987294029 753336484 /nfs/dbraw/zinc/33/64/84/753336484.db2.gz QFAVGVTUQPKWES-GOEBONIOSA-N 2 0 291.439 1.319 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001050564642 753821294 /nfs/dbraw/zinc/82/12/94/753821294.db2.gz TVJAPBZNVJSIGC-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](C[NH2+]C2CCC(CC#N)CC2)O1 ZINC001173330777 912431335 /nfs/dbraw/zinc/43/13/35/912431335.db2.gz VVNDXBSPGGJRNV-PEHJNBARSA-N 2 0 295.427 1.773 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203348769 912734653 /nfs/dbraw/zinc/73/46/53/912734653.db2.gz DHRRHMZHOKIMNV-UHFFFAOYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC001121914578 913230831 /nfs/dbraw/zinc/23/08/31/913230831.db2.gz XKFHVVMJCWNSOC-KKUMJFAQSA-N 2 0 281.444 1.907 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001106147994 913434334 /nfs/dbraw/zinc/43/43/34/913434334.db2.gz AZFUJMUNWKOIFA-KBUPBQIOSA-N 2 0 279.428 1.197 20 30 CDEDRP COc1cc(C#N)ccc1CN1CCC[C@@H]([NH3+])CC1 ZINC001205109455 913671330 /nfs/dbraw/zinc/67/13/30/913671330.db2.gz GPQGTYLLFMNDJZ-CQSZACIVSA-N 2 0 259.353 1.880 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)[C@H](C2CC2)[NH+](C)C)CCCCC1 ZINC001115573158 894248159 /nfs/dbraw/zinc/24/81/59/894248159.db2.gz KTNJWPNFZIUXON-HNNXBMFYSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001106516573 913985679 /nfs/dbraw/zinc/98/56/79/913985679.db2.gz MYJJTORTSFBJFI-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106594393 914050572 /nfs/dbraw/zinc/05/05/72/914050572.db2.gz QRMBLSKSTAUSBO-HUUCEWRRSA-N 2 0 291.439 1.036 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001267157233 896949929 /nfs/dbraw/zinc/94/99/29/896949929.db2.gz KHTALAOCTOMKLM-KBPBESRZSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001167608171 897009726 /nfs/dbraw/zinc/00/97/26/897009726.db2.gz BSASJXJUHSIWFK-HNNXBMFYSA-N 2 0 279.428 1.370 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001106797308 914317157 /nfs/dbraw/zinc/31/71/57/914317157.db2.gz NCFYJNHYCFMBOL-HZPDHXFCSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001104812068 899533554 /nfs/dbraw/zinc/53/35/54/899533554.db2.gz KZQBHPVBERRYLB-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001100785514 899634367 /nfs/dbraw/zinc/63/43/67/899634367.db2.gz NPSQMEAJHJEPFF-UHFFFAOYSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001111788945 899784336 /nfs/dbraw/zinc/78/43/36/899784336.db2.gz QGMXBQMYEZIKAX-LZWOXQAQSA-N 2 0 279.428 1.483 20 30 CDEDRP C/C(=N\O)c1ccc(NC(=[NH2+])NCCCC[NH3+])cc1 ZINC001167884493 901641042 /nfs/dbraw/zinc/64/10/42/901641042.db2.gz WECNLNWGSOMQQX-VCHYOVAHSA-N 2 0 263.345 1.560 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028780105 904087045 /nfs/dbraw/zinc/08/70/45/904087045.db2.gz DTCOGDDBESGLRY-CQSZACIVSA-N 2 0 279.428 1.342 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC ZINC001087799379 905857063 /nfs/dbraw/zinc/85/70/63/905857063.db2.gz RBUCRYIMQASSAW-LSDHHAIUSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088105782 906321583 /nfs/dbraw/zinc/32/15/83/906321583.db2.gz CPEXAYUTQONBCO-OAGGEKHMSA-N 2 0 291.439 1.295 20 30 CDEDRP C=C(Cl)CN1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189470299 921494350 /nfs/dbraw/zinc/49/43/50/921494350.db2.gz FQAPTHMAJQKVOC-UONOGXRCSA-N 2 0 299.846 1.613 20 30 CDEDRP C=C(C)C(=O)NCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172108367 911262464 /nfs/dbraw/zinc/26/24/64/911262464.db2.gz VGHBJWIWWQGGDC-QKDCVEJESA-N 2 0 279.428 1.674 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189871036 921683042 /nfs/dbraw/zinc/68/30/42/921683042.db2.gz ISWOAGFMZKRHES-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C[C@@H](CCCC#N)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001172503410 911735857 /nfs/dbraw/zinc/73/58/57/911735857.db2.gz AXISWRYRRYMBNX-HNNXBMFYSA-N 2 0 278.444 1.781 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001088860176 911986247 /nfs/dbraw/zinc/98/62/47/911986247.db2.gz YPXLZWILHUZLRM-KFWWJZLASA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483942347 915218092 /nfs/dbraw/zinc/21/80/92/915218092.db2.gz IRPIOCJNMHQFBT-HUUCEWRRSA-N 2 0 279.428 1.177 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001178947175 915697523 /nfs/dbraw/zinc/69/75/23/915697523.db2.gz IGDOOGNGXGTHHZ-UHFFFAOYSA-N 2 0 298.390 1.847 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001179779832 915958445 /nfs/dbraw/zinc/95/84/45/915958445.db2.gz YIZBVTKOIPYASI-HOTGVXAUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001183379714 918488525 /nfs/dbraw/zinc/48/85/25/918488525.db2.gz OQMWVBHZFCRYBU-MELADBBJSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC000996937583 918716063 /nfs/dbraw/zinc/71/60/63/918716063.db2.gz XQLYHVOHXPJYPL-UHFFFAOYSA-N 2 0 291.395 1.721 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185455907 919608886 /nfs/dbraw/zinc/60/88/86/919608886.db2.gz VUMMFMBURFADKE-ZIAGYGMSSA-N 2 0 267.417 1.339 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001185447020 919631445 /nfs/dbraw/zinc/63/14/45/919631445.db2.gz PZDYFZJCJUGDBR-JKSUJKDBSA-N 2 0 293.455 1.426 20 30 CDEDRP C#CCCC[N@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001273541395 920553987 /nfs/dbraw/zinc/55/39/87/920553987.db2.gz AANYAUYAZGECRS-QGZVFWFLSA-N 2 0 291.439 1.418 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001485918696 920576981 /nfs/dbraw/zinc/57/69/81/920576981.db2.gz CLMVMSRXDQZDSQ-ZIAGYGMSSA-N 2 0 269.433 1.585 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079494645 924341570 /nfs/dbraw/zinc/34/15/70/924341570.db2.gz KPLIQXUSJFHAJT-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCC[N@H+]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001197142525 925054812 /nfs/dbraw/zinc/05/48/12/925054812.db2.gz XTUIDYIQFGVJSO-MRXNPFEDSA-N 2 0 293.455 1.664 20 30 CDEDRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001152439629 925400591 /nfs/dbraw/zinc/40/05/91/925400591.db2.gz PYGATZBSSRQTAZ-UHFFFAOYSA-N 2 0 287.407 1.084 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084775905 925420817 /nfs/dbraw/zinc/42/08/17/925420817.db2.gz YSENJZOIZMIUCH-BZUAXINKSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102355202 937054552 /nfs/dbraw/zinc/05/45/52/937054552.db2.gz UFDZNNKFQYKYSD-BZUAXINKSA-N 2 0 293.455 1.424 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCCO1 ZINC001201410278 926296668 /nfs/dbraw/zinc/29/66/68/926296668.db2.gz FJNWTFXLQBZPGQ-GJZGRUSLSA-N 2 0 297.443 1.110 20 30 CDEDRP C[NH+]1CCN(c2cc(Nc3ccnc(C#N)c3)cc[nH+]2)CC1 ZINC001201651416 926374163 /nfs/dbraw/zinc/37/41/63/926374163.db2.gz TXFPFCGWESMNQT-UHFFFAOYSA-N 2 0 294.362 1.266 20 30 CDEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799030 926410444 /nfs/dbraw/zinc/41/04/44/926410444.db2.gz HSLXOLZTMVQIGS-HNNXBMFYSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202316250 926532384 /nfs/dbraw/zinc/53/23/84/926532384.db2.gz SNEAIQBTKHWFSZ-CQSZACIVSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129327759 926854433 /nfs/dbraw/zinc/85/44/33/926854433.db2.gz IOOIVCWCJRDXKS-OAHLLOKOSA-N 2 0 281.444 1.636 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001086253842 926892862 /nfs/dbraw/zinc/89/28/62/926892862.db2.gz YAYOEJGWYXLRHA-JONQDZQNSA-N 2 0 293.455 1.777 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086253920 926893966 /nfs/dbraw/zinc/89/39/66/926893966.db2.gz AWGUMUMOBCZPTM-BETUJISGSA-N 2 0 297.830 1.319 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001086365182 927037532 /nfs/dbraw/zinc/03/75/32/927037532.db2.gz HTRLLJNLIPMSHJ-VGWMRTNUSA-N 2 0 291.439 1.531 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398477 937140115 /nfs/dbraw/zinc/14/01/15/937140115.db2.gz UVRJBHBCAGFZTM-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CC)C1 ZINC001111925900 937255708 /nfs/dbraw/zinc/25/57/08/937255708.db2.gz OYSMWWADGIUKFK-RDJZCZTQSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111949200 937258507 /nfs/dbraw/zinc/25/85/07/937258507.db2.gz SADIIMZQDMHKSA-RDJZCZTQSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001112969404 929611473 /nfs/dbraw/zinc/61/14/73/929611473.db2.gz DNXWQHYUQVSFLL-HNNXBMFYSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152480336 937365612 /nfs/dbraw/zinc/36/56/12/937365612.db2.gz QMAPCRDDVVADKJ-HNNXBMFYSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134729951 929866448 /nfs/dbraw/zinc/86/64/48/929866448.db2.gz QOXSMQKAFIUBLT-CABCVRRESA-N 2 0 291.439 1.369 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135608271 930291803 /nfs/dbraw/zinc/29/18/03/930291803.db2.gz IBYSUKBTUAXRRV-KBPBESRZSA-N 2 0 279.428 1.224 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135974276 930585780 /nfs/dbraw/zinc/58/57/80/930585780.db2.gz MABWDWPEOADSOC-KGLIPLIRSA-N 2 0 269.433 1.777 20 30 CDEDRP [NH3+]CCC[C@H]([NH3+])Nc1cc(/C=N/O)cc(C(F)(F)F)c1 ZINC001170901327 930700677 /nfs/dbraw/zinc/70/06/77/930700677.db2.gz ZJCFHQNTTGPMJJ-MBCCIFHSSA-N 2 0 290.289 1.949 20 30 CDEDRP C[N@H+](C[C@H](O)CC1(C#N)CCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000886018497 930790743 /nfs/dbraw/zinc/79/07/43/930790743.db2.gz BDCNDPIKZFJJLJ-HUUCEWRRSA-N 2 0 279.428 1.705 20 30 CDEDRP N#Cc1cc(Cl)nc(C(F)(F)N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001159784679 930848112 /nfs/dbraw/zinc/84/81/12/930848112.db2.gz KSLKPJNXMQIENM-SNVBAGLBSA-N 2 0 289.717 1.269 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](F)C[NH+](CC)CC ZINC001171060208 931468275 /nfs/dbraw/zinc/46/82/75/931468275.db2.gz IYIAQVWBFIRMOL-LSDHHAIUSA-N 2 0 299.434 1.564 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146613403 932271345 /nfs/dbraw/zinc/27/13/45/932271345.db2.gz SWVDYFZTQLRTSM-HOTGVXAUSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147884195 932628394 /nfs/dbraw/zinc/62/83/94/932628394.db2.gz BKIHZZBFOWHFLZ-KBPBESRZSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCN1C)C2 ZINC001095626056 932733033 /nfs/dbraw/zinc/73/30/33/932733033.db2.gz KDIOJCFLJHGXDW-FXUDXRNXSA-N 2 0 291.439 1.768 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111171833 934213322 /nfs/dbraw/zinc/21/33/22/934213322.db2.gz VYHNJWNZGNZDFS-KFWWJZLASA-N 2 0 277.412 1.073 20 30 CDEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001096015728 935879417 /nfs/dbraw/zinc/87/94/17/935879417.db2.gz QMHLKRRWCMOEDK-FZKCQIBNSA-N 2 0 289.423 1.073 20 30 CDEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001045556350 935886852 /nfs/dbraw/zinc/88/68/52/935886852.db2.gz CVSDJYRBMGVIGO-UONOGXRCSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]cnc3C)C[C@H]2C1 ZINC001049190497 936122794 /nfs/dbraw/zinc/12/27/94/936122794.db2.gz TUKBDCFCDMDJIE-OKILXGFUSA-N 2 0 288.395 1.227 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001121246650 937863617 /nfs/dbraw/zinc/86/36/17/937863617.db2.gz QJQWQOUELXMCQB-LETWWHAPSA-N 2 0 291.439 1.530 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC001121995430 937897695 /nfs/dbraw/zinc/89/76/95/937897695.db2.gz UMGGQKFLPMABGE-MQYQWHSLSA-N 2 0 267.417 1.502 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001122249333 937915319 /nfs/dbraw/zinc/91/53/19/937915319.db2.gz STQTWUXXYYDYJB-UHFFFAOYSA-N 2 0 279.428 1.530 20 30 CDEDRP C#CCC[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156193824 938333266 /nfs/dbraw/zinc/33/32/66/938333266.db2.gz HCGCVXQOPGHQOC-CQSZACIVSA-N 2 0 267.417 1.178 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109325 938454786 /nfs/dbraw/zinc/45/47/86/938454786.db2.gz NAVJZOPWWCEQPA-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP N#Cc1c2c(cnc1-n1ccc3c1CC[NH2+]C3)C[NH2+]CCC2 ZINC001157442117 938492178 /nfs/dbraw/zinc/49/21/78/938492178.db2.gz JFKZJPSVVRCSSK-UHFFFAOYSA-N 2 0 293.374 1.425 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158197244 938593527 /nfs/dbraw/zinc/59/35/27/938593527.db2.gz UORBRGPLEHZKBD-GOEBONIOSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158202460 938594822 /nfs/dbraw/zinc/59/48/22/938594822.db2.gz WLBNUOQMRPFJJU-CQSZACIVSA-N 2 0 265.401 1.000 20 30 CDEDRP N#Cc1cc(NC2=CC[NH2+]CC2)ccc1N1CC[NH2+]CC1 ZINC001159743288 938748801 /nfs/dbraw/zinc/74/88/01/938748801.db2.gz ZLSPJJHCVXYLDM-UHFFFAOYSA-N 2 0 283.379 1.257 20 30 CDEDRP N#CC1(c2ccc(N[C@@H]([NH3+])CCC[NH3+])nc2)CCOCC1 ZINC001159786946 938752933 /nfs/dbraw/zinc/75/29/33/938752933.db2.gz OCMXYAJEDUOIIT-CYBMUJFWSA-N 2 0 289.383 1.089 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001159838403 938756578 /nfs/dbraw/zinc/75/65/78/938756578.db2.gz LPVMAFDTHROGRI-HNNXBMFYSA-N 2 0 281.444 1.636 20 30 CDEDRP Cc1nc(C#N)cc(-n2cc(CC[NH3+])c3c[nH+]ccc32)n1 ZINC001160952122 938849209 /nfs/dbraw/zinc/84/92/09/938849209.db2.gz RMFKHZZBUHHETE-UHFFFAOYSA-N 2 0 278.319 1.497 20 30 CDEDRP C#CCC[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001161645334 938917136 /nfs/dbraw/zinc/91/71/36/938917136.db2.gz CXAPLFHKXHAVAS-UHFFFAOYSA-N 2 0 291.439 1.490 20 30 CDEDRP C[Si](C)(C)C#C[NH2+]C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163166051 939218232 /nfs/dbraw/zinc/21/82/32/939218232.db2.gz HWFSOADXMMMGMV-UPJWGTAASA-N 2 0 252.434 1.039 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163232144 939230275 /nfs/dbraw/zinc/23/02/75/939230275.db2.gz OLYQMOCWVWXMKY-MRXNPFEDSA-N 2 0 293.455 1.923 20 30 CDEDRP C[C@@H]1CC[C@@H](C[NH3+])CN1c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001164456874 939474712 /nfs/dbraw/zinc/47/47/12/939474712.db2.gz UNDRUOQKNURXFQ-OLZOCXBDSA-N 2 0 299.422 1.553 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165262735 939536153 /nfs/dbraw/zinc/53/61/53/939536153.db2.gz JLSVKOWZJHIHGP-CQSZACIVSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001165333653 939547334 /nfs/dbraw/zinc/54/73/34/939547334.db2.gz SONAGHBAMGJAOQ-HNNXBMFYSA-N 2 0 293.455 1.923 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001166882376 939646884 /nfs/dbraw/zinc/64/68/84/939646884.db2.gz KUZLAPRXFKGILG-UHFFFAOYSA-N 2 0 281.444 1.780 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203337992 939683586 /nfs/dbraw/zinc/68/35/86/939683586.db2.gz ZHHANKBFYJUJCT-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203793698 939704525 /nfs/dbraw/zinc/70/45/25/939704525.db2.gz SUGKQRHCLCCQQM-HUUCEWRRSA-N 2 0 293.455 1.920 20 30 CDEDRP C=CCn1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cn1 ZINC001205618448 939909419 /nfs/dbraw/zinc/90/94/19/939909419.db2.gz WDRWMLBUJRHZHH-UKRRQHHQSA-N 2 0 262.401 1.876 20 30 CDEDRP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001207749603 940238858 /nfs/dbraw/zinc/23/88/58/940238858.db2.gz AMGDLAZCXWEEQI-ZIAGYGMSSA-N 2 0 281.444 1.729 20 30 CDEDRP C=CCN(CC[NH+]1CCC2(C[NH+](C)C2)CC1)C(=O)OCC ZINC001209020555 940425341 /nfs/dbraw/zinc/42/53/41/940425341.db2.gz JMWHJYLWNPLIAU-UHFFFAOYSA-N 2 0 295.427 1.659 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001209641259 940622060 /nfs/dbraw/zinc/62/20/60/940622060.db2.gz HVHTTZQYEZOCOY-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210673812 940705406 /nfs/dbraw/zinc/70/54/06/940705406.db2.gz IJGNSFCLQOARRE-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211364643 940750744 /nfs/dbraw/zinc/75/07/44/940750744.db2.gz LIASHDVPOCBNPY-ZIAGYGMSSA-N 2 0 267.417 1.339 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001220868109 941478514 /nfs/dbraw/zinc/47/85/14/941478514.db2.gz BMJXWHAXUXYYMI-GJZGRUSLSA-N 2 0 279.428 1.661 20 30 CDEDRP C=CCCC[N@@H+]1C[C@@H]2C[NH2+]CCC[C@]2(C(=O)OCC)C1 ZINC001222125741 941568011 /nfs/dbraw/zinc/56/80/11/941568011.db2.gz UMDOFIVAAVOIGV-HOCLYGCPSA-N 2 0 280.412 1.817 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001223487441 941681257 /nfs/dbraw/zinc/68/12/57/941681257.db2.gz KCGKZPTXVOMBSW-UHFFFAOYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001223506352 941682506 /nfs/dbraw/zinc/68/25/06/941682506.db2.gz BTOXMGRCGQLKQP-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001223667595 941690354 /nfs/dbraw/zinc/69/03/54/941690354.db2.gz BAZODRJQHBMWOS-UHFFFAOYSA-N 2 0 279.428 1.178 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+](CC)CC ZINC001229212804 942433007 /nfs/dbraw/zinc/43/30/07/942433007.db2.gz CLRLCCFNYAUADG-HUUCEWRRSA-N 2 0 281.444 1.921 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001230378808 942614758 /nfs/dbraw/zinc/61/47/58/942614758.db2.gz VLGUPXFFJDKZJL-MRXNPFEDSA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CCN1CC[C@H]1CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001234642030 943924387 /nfs/dbraw/zinc/92/43/87/943924387.db2.gz GJWPHOKHVZJKJE-LSDHHAIUSA-N 2 0 297.418 1.222 20 30 CDEDRP C=CCNCC[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553038 944511297 /nfs/dbraw/zinc/51/12/97/944511297.db2.gz WAVLUHIEQPRZJD-SHTZXODSSA-N 2 0 253.434 1.990 20 30 CDEDRP [NH2+]=C(N[C@@H]1CC2CC[NH+](CC2)C1)c1ccc(Cl)cn1 ZINC001254838799 947617187 /nfs/dbraw/zinc/61/71/87/947617187.db2.gz HTJMYHPBYQDJCP-GFCCVEGCSA-N 2 0 278.787 1.925 20 30 CDEDRP C=C(C)C(=O)OCC[NH2+][C@H](C)CC[NH+](CC)CC ZINC001255946587 948132782 /nfs/dbraw/zinc/13/27/82/948132782.db2.gz WQGZADKEFRCKBN-CYBMUJFWSA-N 2 0 256.390 1.816 20 30 CDEDRP C=CCOC1CCC([NH2+]CCCC[C@H]([NH3+])C(N)=O)CC1 ZINC001246406271 948159497 /nfs/dbraw/zinc/15/94/97/948159497.db2.gz SRAMISASFYBOEB-RUXDESIVSA-N 2 0 283.416 1.073 20 30 CDEDRP C[C@H](CCCC#N)[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246617634 948347590 /nfs/dbraw/zinc/34/75/90/948347590.db2.gz HZTVOUVHZPGONM-RDBSUJKOSA-N 2 0 250.390 1.095 20 30 CDEDRP C#CC[NH+](CC#C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256865180 948438891 /nfs/dbraw/zinc/43/88/91/948438891.db2.gz SPRIRJZUWXZSJR-UHFFFAOYSA-N 2 0 253.349 1.619 20 30 CDEDRP N#C[C@@H]1C[C@@H]([N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)CCN1 ZINC001246934871 948530484 /nfs/dbraw/zinc/53/04/84/948530484.db2.gz CJDNGDZNXLXXFB-ZOBUZTSGSA-N 2 0 290.455 1.875 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+][C@H]1CC[C@@H]([NH+](CC)CC)CC1 ZINC001252499093 951379346 /nfs/dbraw/zinc/37/93/46/951379346.db2.gz VKQKBTAAWGVJHC-XHSDSOJGSA-N 2 0 284.444 1.793 20 30 CDEDRP C=C[C@@](C)(O)C[NH2+]CC1CC[NH+](CC(C)C)CC1 ZINC001252579273 951471639 /nfs/dbraw/zinc/47/16/39/951471639.db2.gz LBFFSESWARWTTG-OAHLLOKOSA-N 2 0 254.418 1.881 20 30 CDEDRP CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001569137447 1169681557 /nfs/dbraw/zinc/68/15/57/1169681557.db2.gz AZBDDSPJPNQNQL-ZIAGYGMSSA-N 2 0 267.417 1.032 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001491811459 955476791 /nfs/dbraw/zinc/47/67/91/955476791.db2.gz XFDKRKGYGVOIKF-HOTGVXAUSA-N 2 0 295.471 1.977 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001317192895 957332780 /nfs/dbraw/zinc/33/27/80/957332780.db2.gz HMWDQAULINGTEA-OAHLLOKOSA-N 2 0 289.423 1.076 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC001340267752 962852394 /nfs/dbraw/zinc/85/23/94/962852394.db2.gz WSROAIGWYIJWAI-FQUUOJAGSA-N 2 0 265.401 1.256 20 30 CDEDRP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001420965917 963389469 /nfs/dbraw/zinc/38/94/69/963389469.db2.gz WFLOWDUKBWHSNN-UONOGXRCSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC001341435034 963412796 /nfs/dbraw/zinc/41/27/96/963412796.db2.gz QLENKDBGNLIXRU-DYEKYZERSA-N 2 0 251.374 1.010 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC001341629903 963489040 /nfs/dbraw/zinc/48/90/40/963489040.db2.gz LFXWAIQWIAZOMV-CYBMUJFWSA-N 2 0 253.390 1.272 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC001341767614 963534871 /nfs/dbraw/zinc/53/48/71/963534871.db2.gz OOCURBSCMDLWCJ-OLZOCXBDSA-N 2 0 253.390 1.257 20 30 CDEDRP C#CC[NH2+]CC(=O)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC001341925030 963582250 /nfs/dbraw/zinc/58/22/50/963582250.db2.gz QESAYTSOMPNLHK-HNNXBMFYSA-N 2 0 285.391 1.115 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001440382132 964007385 /nfs/dbraw/zinc/00/73/85/964007385.db2.gz WQWJVRTWXJDKQF-JOCQHMNTSA-N 2 0 287.835 1.565 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001825165 967308683 /nfs/dbraw/zinc/30/86/83/967308683.db2.gz JJMPOPFRJVFACD-ZBFHGGJFSA-N 2 0 293.455 1.588 20 30 CDEDRP C#CC[NH2+]CC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001353483448 968008162 /nfs/dbraw/zinc/00/81/62/968008162.db2.gz VYOZYUIGQXPOFW-HUUCEWRRSA-N 2 0 279.428 1.084 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001100378168 968164642 /nfs/dbraw/zinc/16/46/42/968164642.db2.gz STQVQNKVZYQTLE-YMAMQOFZSA-N 2 0 299.434 1.727 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC001521424228 970294952 /nfs/dbraw/zinc/29/49/52/970294952.db2.gz AYGXYGJIKOXDBU-KBPBESRZSA-N 2 0 269.433 1.763 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001498805770 974068439 /nfs/dbraw/zinc/06/84/39/974068439.db2.gz RBTNTPKUFJSNET-CVEARBPZSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001402325791 976237232 /nfs/dbraw/zinc/23/72/32/976237232.db2.gz FXRYDZMZQLODEE-CHWSQXEVSA-N 2 0 285.819 1.318 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001133072949 1163552502 /nfs/dbraw/zinc/55/25/02/1163552502.db2.gz NKWCKRAVBZMXNS-GJZGRUSLSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001133191783 1163603069 /nfs/dbraw/zinc/60/30/69/1163603069.db2.gz SYNIGQBPNTVZSX-LSDHHAIUSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1NCCc2occc21 ZINC001574920849 1171049029 /nfs/dbraw/zinc/04/90/29/1171049029.db2.gz LVCSSOSVLRFPQQ-OAHLLOKOSA-N 2 0 291.395 1.433 20 30 CDEDRP N#CCCN1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000601332275 342555008 /nfs/dbraw/zinc/55/50/08/342555008.db2.gz HRIKYTDEBPLYJO-UHFFFAOYSA-N 2 0 264.417 1.297 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635530436 361766468 /nfs/dbraw/zinc/76/64/68/361766468.db2.gz BJSUOLCVBVNVPO-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP N#CCCC1CC[NH+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000592438309 342692627 /nfs/dbraw/zinc/69/26/27/342692627.db2.gz JHBIXRUYZLSIIN-HNNXBMFYSA-N 2 0 292.427 1.199 20 30 CDEDRP C[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)CN1CC[NH+](C)CC1 ZINC000442800207 362092210 /nfs/dbraw/zinc/09/22/10/362092210.db2.gz ZARVVKJYDGMAFG-RBSFLKMASA-N 2 0 264.417 1.152 20 30 CDEDRP N#C[C@H]1CCC[C@H](Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC000602020494 344316778 /nfs/dbraw/zinc/31/67/78/344316778.db2.gz KLPXSHDIXFLRMS-KBPBESRZSA-N 2 0 285.395 1.985 20 30 CDEDRP N#CC1(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CCCC1 ZINC000602603973 344489979 /nfs/dbraw/zinc/48/99/79/344489979.db2.gz UEIPRFABYAECSA-UHFFFAOYSA-N 2 0 299.378 1.514 20 30 CDEDRP N#CCN1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000611104153 346609196 /nfs/dbraw/zinc/60/91/96/346609196.db2.gz CCQBRVNEDWGGOE-GJZGRUSLSA-N 2 0 262.401 1.191 20 30 CDEDRP CNC(NC[C@@H](c1ccccc1)[NH+]1CCCC1)=[NH+]C ZINC000263954233 362949215 /nfs/dbraw/zinc/94/92/15/362949215.db2.gz HOKQMIZMSNBHOM-AWEZNQCLSA-N 2 0 260.385 1.618 20 30 CDEDRP CNC(=[NH2+])NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000264066279 362957046 /nfs/dbraw/zinc/95/70/46/362957046.db2.gz BGELAOQQIUXLLM-UHFFFAOYSA-N 2 0 289.427 1.123 20 30 CDEDRP C[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)N1CC[NH+](C)CC1 ZINC000181703219 357375885 /nfs/dbraw/zinc/37/58/85/357375885.db2.gz BACPFDSZJOIQOT-HUUCEWRRSA-N 2 0 286.423 1.845 20 30 CDEDRP C=CC[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1cccs1 ZINC000262035379 359126612 /nfs/dbraw/zinc/12/66/12/359126612.db2.gz HEPQDDLQVFXKMR-UHFFFAOYSA-N 2 0 293.436 1.558 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ccc(C#N)cn1 ZINC000176820134 189010555 /nfs/dbraw/zinc/01/05/55/189010555.db2.gz XBWDEQFZFHVEMO-UHFFFAOYSA-N 2 0 289.427 1.663 20 30 CDEDRP CN(CCC#N)C(=O)CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000092794670 360285897 /nfs/dbraw/zinc/28/58/97/360285897.db2.gz NCNPTEYMERJQFH-UHFFFAOYSA-N 2 0 294.443 1.412 20 30 CDEDRP COc1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)ccc1C#N ZINC000415027494 241522568 /nfs/dbraw/zinc/52/25/68/241522568.db2.gz AZBMOHVPKZNUHS-FZMZJTMJSA-N 2 0 259.353 1.784 20 30 CDEDRP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000361458860 368830684 /nfs/dbraw/zinc/83/06/84/368830684.db2.gz IRLGLDJMLXIJMH-ARFHVFGLSA-N 2 0 279.428 1.751 20 30 CDEDRP C=C(C)CN1CCC([NH2+]C[C@@](C)(O)C(F)(F)F)CC1 ZINC000578186526 372336594 /nfs/dbraw/zinc/33/65/94/372336594.db2.gz UZWLNCICFZUFHH-GFCCVEGCSA-N 2 0 280.334 1.930 20 30 CDEDRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353381274 375333453 /nfs/dbraw/zinc/33/34/53/375333453.db2.gz DVQIZDXGDYHCJL-GOSISDBHSA-N 2 0 298.434 1.773 20 30 CDEDRP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)N1CC[NH+](C)CC1 ZINC000248952135 377363137 /nfs/dbraw/zinc/36/31/37/377363137.db2.gz ZYCJCKYQBAYGKL-RBSFLKMASA-N 2 0 264.417 1.294 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])CCCC)CC1 ZINC000417520124 377824925 /nfs/dbraw/zinc/82/49/25/377824925.db2.gz BUADJBZILKZNFO-CQSZACIVSA-N 2 0 282.432 1.454 20 30 CDEDRP CN(CC[N@H+](C)C1CCN(C)CC1)CC1(C#N)CC1 ZINC000343640843 378941449 /nfs/dbraw/zinc/94/14/49/378941449.db2.gz FBXVRAMTCAAXOD-UHFFFAOYSA-N 2 0 264.417 1.248 20 30 CDEDRP COCCC[NH+]1CCC([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442778550 391029809 /nfs/dbraw/zinc/02/98/09/391029809.db2.gz HDQXSFHXLZZWIA-ZFWWWQNUSA-N 2 0 265.401 1.769 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000351329868 391066545 /nfs/dbraw/zinc/06/65/45/391066545.db2.gz OWTLZUZXYAAYKO-HZPDHXFCSA-N 2 0 266.429 1.977 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375902904 391205008 /nfs/dbraw/zinc/20/50/08/391205008.db2.gz GUFOAHHPOQLYTQ-OAHLLOKOSA-N 2 0 251.418 1.663 20 30 CDEDRP C[NH+](C)CC1CC[NH+](CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC000330504505 391439977 /nfs/dbraw/zinc/43/99/77/391439977.db2.gz DYPGADWYDNDVKD-UHFFFAOYSA-N 2 0 298.431 1.089 20 30 CDEDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442721840 391746326 /nfs/dbraw/zinc/74/63/26/391746326.db2.gz WAZBDIZHANWBED-ILXRZTDVSA-N 2 0 264.417 1.294 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000238078884 131076033 /nfs/dbraw/zinc/07/60/33/131076033.db2.gz OSWADIKVJJYKMQ-INIZCTEOSA-N 2 0 287.407 1.323 20 30 CDEDRP C=CCNC(=[NH2+])NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000195523153 262252297 /nfs/dbraw/zinc/25/22/97/262252297.db2.gz VSRYPWHDKICAKS-UHFFFAOYSA-N 2 0 286.423 1.989 20 30 CDEDRP C=CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000414685934 263032268 /nfs/dbraw/zinc/03/22/68/263032268.db2.gz FEGJJKUYQASHAX-MJBXVCDLSA-N 2 0 286.441 1.050 20 30 CDEDRP C=CCOc1ccc(CNCC[NH2+]C)cc1OC ZINC000414819609 263054487 /nfs/dbraw/zinc/05/44/87/263054487.db2.gz HYSHQMMDECOCFY-UHFFFAOYSA-N 2 0 250.342 1.569 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000357959072 266389492 /nfs/dbraw/zinc/38/94/92/266389492.db2.gz ODZDJLCLEXPMMZ-AWEZNQCLSA-N 2 0 296.459 1.665 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000334911601 277775271 /nfs/dbraw/zinc/77/52/71/277775271.db2.gz SYECJQVCQMMOGD-UHFFFAOYSA-N 2 0 294.443 1.420 20 30 CDEDRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000423205370 278347397 /nfs/dbraw/zinc/34/73/97/278347397.db2.gz PJVPLCOZKHZXLI-CYBMUJFWSA-N 2 0 258.369 1.114 20 30 CDEDRP C[NH+]1CCC(CC[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000560807384 293034476 /nfs/dbraw/zinc/03/44/76/293034476.db2.gz NEGWVCMSQLIWBE-UHFFFAOYSA-N 2 0 298.394 1.422 20 30 CDEDRP C[N@@H+]1CCN(CCC[NH2+]CCC#N)[C@H](c2ccccc2)C1 ZINC000569228785 327057907 /nfs/dbraw/zinc/05/79/07/327057907.db2.gz HRDQEFRCUZVRGW-KRWDZBQOSA-N 2 0 286.423 1.868 20 30 CDEDRP CN(C)C(=[NH2+])NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000178577478 329200834 /nfs/dbraw/zinc/20/08/34/329200834.db2.gz SVVWUQMLHJUREZ-CQSZACIVSA-N 2 0 260.385 1.527 20 30 CDEDRP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001698869757 1159149315 /nfs/dbraw/zinc/14/93/15/1159149315.db2.gz AORLYLOKKRVEID-LSDHHAIUSA-N 2 0 279.428 1.224 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC1(C)C ZINC000262398710 330012599 /nfs/dbraw/zinc/01/25/99/330012599.db2.gz NGSUTWYEEVRSGU-NEPJUHHUSA-N 2 0 252.406 1.421 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@]1(C)C(C)C ZINC000263072301 330042163 /nfs/dbraw/zinc/04/21/63/330042163.db2.gz GWFZXJUUICTGOW-NFAWXSAZSA-N 2 0 266.433 1.810 20 30 CDEDRP CN1CCC[NH+]=C1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000263209741 330049547 /nfs/dbraw/zinc/04/95/47/330049547.db2.gz YVHVLTZTYYEVKB-ZDUSSCGKSA-N 2 0 250.390 1.284 20 30 CDEDRP CC(C)C[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+](C)C ZINC000424137058 330273405 /nfs/dbraw/zinc/27/34/05/330273405.db2.gz RNVVZXICGGDLPD-QWHCGFSZSA-N 2 0 268.405 1.100 20 30 CDEDRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424139480 330279057 /nfs/dbraw/zinc/27/90/57/330279057.db2.gz ANMCRVVQCOVBKQ-KBPBESRZSA-N 2 0 280.416 1.244 20 30 CDEDRP C[NH+](C)CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1CCCC1 ZINC000424186780 330320918 /nfs/dbraw/zinc/32/09/18/330320918.db2.gz HNDSUXBOSQOILK-AWEZNQCLSA-N 2 0 280.416 1.340 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424452146 330352607 /nfs/dbraw/zinc/35/26/07/330352607.db2.gz GLTOWZTUWIBLGG-HUUCEWRRSA-N 2 0 294.443 1.596 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000491766683 332334659 /nfs/dbraw/zinc/33/46/59/332334659.db2.gz HFHZUMQIZVKBQQ-AWEZNQCLSA-N 2 0 279.428 1.177 20 30 CDEDRP C=CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1CCCC1 ZINC001754648692 1159409076 /nfs/dbraw/zinc/40/90/76/1159409076.db2.gz DLBZESRUSRKCGM-MRXNPFEDSA-N 2 0 293.455 1.921 20 30 CDEDRP CCC#C[C@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000685188482 483091459 /nfs/dbraw/zinc/09/14/59/483091459.db2.gz CNQQRYYVMQEWQM-AWEZNQCLSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H]1C ZINC001088858202 1161023005 /nfs/dbraw/zinc/02/30/05/1161023005.db2.gz SOEIVMJREPKFIA-KFWWJZLASA-N 2 0 277.412 1.073 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001113545489 1162212570 /nfs/dbraw/zinc/21/25/70/1162212570.db2.gz RJCNLEWZIXYLJO-OAHLLOKOSA-N 2 0 297.443 1.064 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001113629451 1162243673 /nfs/dbraw/zinc/24/36/73/1162243673.db2.gz IZBSJQKHJBKBKW-GJZGRUSLSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000747403828 576868939 /nfs/dbraw/zinc/86/89/39/576868939.db2.gz APDGGVJHWSHZGY-GASCZTMLSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000981413381 612958564 /nfs/dbraw/zinc/95/85/64/612958564.db2.gz CSGCZINGVBQQDJ-CVEARBPZSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000981199158 612959395 /nfs/dbraw/zinc/95/93/95/612959395.db2.gz NZHRXTWREFJEML-CABCVRRESA-N 2 0 296.374 1.598 20 30 CDEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000970057350 612995422 /nfs/dbraw/zinc/99/54/22/612995422.db2.gz BTQRWLKNJPGLJK-CYBMUJFWSA-N 2 0 296.374 1.408 20 30 CDEDRP C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968386705 613246836 /nfs/dbraw/zinc/24/68/36/613246836.db2.gz OFNWVIGPASEEBS-HOCLYGCPSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000969968169 613247972 /nfs/dbraw/zinc/24/79/72/613247972.db2.gz HUYCSLURERIPBT-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000947685248 613334856 /nfs/dbraw/zinc/33/48/56/613334856.db2.gz LZOXVKGIDFWEMJ-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000964379174 613347270 /nfs/dbraw/zinc/34/72/70/613347270.db2.gz XLWLITSLIIQNTE-QQFBHYJXSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000969698596 613482714 /nfs/dbraw/zinc/48/27/14/613482714.db2.gz FFEZCLPAAHMGKD-UMVBOHGHSA-N 2 0 279.428 1.339 20 30 CDEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000969795564 613669482 /nfs/dbraw/zinc/66/94/82/613669482.db2.gz HEFNLPFDOIJUCO-DZGCQCFKSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC000982013528 613679767 /nfs/dbraw/zinc/67/97/67/613679767.db2.gz UMGGLGWOUVEBTJ-LSDHHAIUSA-N 2 0 291.439 1.295 20 30 CDEDRP C=CC[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000948779635 613704110 /nfs/dbraw/zinc/70/41/10/613704110.db2.gz QPNRUBPLMPPCFD-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000974765828 613806047 /nfs/dbraw/zinc/80/60/47/613806047.db2.gz FGBRFRNPGBIONF-CQSZACIVSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC000978473602 613836097 /nfs/dbraw/zinc/83/60/97/613836097.db2.gz VEKZOVSGMGKURX-PHZGNYQRSA-N 2 0 296.374 1.428 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000968915721 613863877 /nfs/dbraw/zinc/86/38/77/613863877.db2.gz ONOUQRCAICGCDO-CABCVRRESA-N 2 0 279.428 1.626 20 30 CDEDRP C#CC[C@H](CO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000895963021 619924063 /nfs/dbraw/zinc/92/40/63/619924063.db2.gz FTTSUMZDLSPEKA-OAHLLOKOSA-N 2 0 252.402 1.471 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000911769819 629485724 /nfs/dbraw/zinc/48/57/24/629485724.db2.gz YDSVNODWJSKWRF-KGLIPLIRSA-N 2 0 261.369 1.486 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)C1CCC([NH3+])CC1 ZINC000911865510 629577265 /nfs/dbraw/zinc/57/72/65/629577265.db2.gz RUJQPZUGTXAMDS-BPCQOVAHSA-N 2 0 253.390 1.398 20 30 CDEDRP CC(C)(C)NC(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)=[NH+]C1CC1 ZINC000912507108 630048128 /nfs/dbraw/zinc/04/81/28/630048128.db2.gz VBPLEWPODMUHMA-UONOGXRCSA-N 2 0 294.443 1.346 20 30 CDEDRP CC[C@H](C(=O)NCC[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001130197741 1162569194 /nfs/dbraw/zinc/56/91/94/1162569194.db2.gz OKHXEDRNRCCVBF-OAHLLOKOSA-N 2 0 288.395 1.104 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130805771 1162722060 /nfs/dbraw/zinc/72/20/60/1162722060.db2.gz MDVJGIYHPWCNQE-UHFFFAOYSA-N 2 0 271.792 1.073 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130808630 1162722809 /nfs/dbraw/zinc/72/28/09/1162722809.db2.gz JKXIZKYEELSWJO-AWEZNQCLSA-N 2 0 279.428 1.675 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028029644 1159787249 /nfs/dbraw/zinc/78/72/49/1159787249.db2.gz IVABRMYXKYXCCQ-HNNXBMFYSA-N 2 0 296.374 1.552 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001113019213 1162075243 /nfs/dbraw/zinc/07/52/43/1162075243.db2.gz JVLXGPBSRMPPTR-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133090483 1163567394 /nfs/dbraw/zinc/56/73/94/1163567394.db2.gz ITGISBVBRAJCRF-CVEARBPZSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001566909690 1168462988 /nfs/dbraw/zinc/46/29/88/1168462988.db2.gz CWGRDEHBJBQDNU-CABCVRRESA-N 2 0 279.428 1.178 20 30 CDEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001698547258 1175830672 /nfs/dbraw/zinc/83/06/72/1175830672.db2.gz XGBTZNHYPVXFGN-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[N@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001752073409 1184814667 /nfs/dbraw/zinc/81/46/67/1184814667.db2.gz QMWZILZEPBVYKP-UHFFFAOYSA-N 2 0 267.417 1.342 20 30 CDEDRP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001752524881 1184874610 /nfs/dbraw/zinc/87/46/10/1184874610.db2.gz IQZPXFJQFORZCQ-INIZCTEOSA-N 2 0 293.455 1.829 20 30 CDEDRP C=CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001752841082 1184928150 /nfs/dbraw/zinc/92/81/50/1184928150.db2.gz OLVPQBPBYBCLFC-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[N@H+](C)CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC001753058641 1185026286 /nfs/dbraw/zinc/02/62/86/1185026286.db2.gz ZAKDRBGLEJRYSU-UHFFFAOYSA-N 2 0 293.455 1.712 20 30 CDEDRP C=CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001753295310 1185145852 /nfs/dbraw/zinc/14/58/52/1185145852.db2.gz MDIMNJBBJNHOTL-CQSZACIVSA-N 2 0 267.417 1.341 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001753324886 1185153874 /nfs/dbraw/zinc/15/38/74/1185153874.db2.gz MCFKLYHHSCCPNC-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001753498213 1185237416 /nfs/dbraw/zinc/23/74/16/1185237416.db2.gz VTWNLHUIFRJUGM-LSDHHAIUSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CCC[NH2+]CCN(CC)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001754044968 1185439589 /nfs/dbraw/zinc/43/95/89/1185439589.db2.gz ZKIQQGAFFCSVMB-HNNXBMFYSA-N 2 0 279.428 1.342 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001754225901 1185516880 /nfs/dbraw/zinc/51/68/80/1185516880.db2.gz QUZNVFJAKZPELT-MGPQQGTHSA-N 2 0 267.417 1.387 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H](C)NC(=O)CCc1cncn1C ZINC001754252898 1185531266 /nfs/dbraw/zinc/53/12/66/1185531266.db2.gz OHHBUIVNEDGWKO-GFCCVEGCSA-N 2 0 264.373 1.023 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCC=C)CC1 ZINC001754254575 1185532727 /nfs/dbraw/zinc/53/27/27/1185532727.db2.gz HKNNSZSEWFQJPT-CQSZACIVSA-N 2 0 277.412 1.002 20 30 CDEDRP C#CCC[NH+]1CCC(C)(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001754631634 1185689362 /nfs/dbraw/zinc/68/93/62/1185689362.db2.gz XCANELNXRBLSMY-UHFFFAOYSA-N 2 0 279.428 1.322 20 30 CDEDRP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001754796528 1185734197 /nfs/dbraw/zinc/73/41/97/1185734197.db2.gz CSACYDKISHQZCJ-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000985656476 754885937 /nfs/dbraw/zinc/88/59/37/754885937.db2.gz XYSJNFSVAHZCHW-DZGCQCFKSA-N 2 0 279.428 1.293 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001019820561 755598948 /nfs/dbraw/zinc/59/89/48/755598948.db2.gz PGNIHNNVKIOJTM-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC000992437880 753855895 /nfs/dbraw/zinc/85/58/95/753855895.db2.gz XZCWMGNCTIEZPG-PBHICJAKSA-N 2 0 289.423 1.381 20 30 CDEDRP C[C@@H]([NH3+])c1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1 ZINC000884037514 753878241 /nfs/dbraw/zinc/87/82/41/753878241.db2.gz BVQAMVDHFLXKBL-KTYIZKFGSA-N 2 0 298.390 1.784 20 30 CDEDRP C[C@@H]1CCCC[N@@H+]1CCCNC(=[NH2+])N1CCSCC1 ZINC000104156686 753882593 /nfs/dbraw/zinc/88/25/93/753882593.db2.gz GQVUEMHLEDHLKF-CYBMUJFWSA-N 2 0 284.473 1.614 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000996945159 753888290 /nfs/dbraw/zinc/88/82/90/753888290.db2.gz GFULZYVFSPMUDT-UHFFFAOYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033421268 753958715 /nfs/dbraw/zinc/95/87/15/753958715.db2.gz WGXITOZZSNTHDH-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997297919 753996930 /nfs/dbraw/zinc/99/69/30/753996930.db2.gz HHRRUEMIIQWCHJ-ZDUSSCGKSA-N 2 0 265.401 1.095 20 30 CDEDRP C[NH+]1CCC(CC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000229941368 754041775 /nfs/dbraw/zinc/04/17/75/754041775.db2.gz VANMAJZONQTNBO-QGZVFWFLSA-N 2 0 287.407 1.913 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032044071 754185900 /nfs/dbraw/zinc/18/59/00/754185900.db2.gz PLGUTGIHSXSSNU-GJZGRUSLSA-N 2 0 277.412 1.237 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001046832557 754218986 /nfs/dbraw/zinc/21/89/86/754218986.db2.gz XSHDEBVMNCSOHF-HOCLYGCPSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032128530 754274073 /nfs/dbraw/zinc/27/40/73/754274073.db2.gz GLSOQKAULVZDHI-HOTGVXAUSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001020214052 754346025 /nfs/dbraw/zinc/34/60/25/754346025.db2.gz FVWURNGVIVAQHU-MGPQQGTHSA-N 2 0 265.401 1.284 20 30 CDEDRP C=CCC[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001005992972 754519257 /nfs/dbraw/zinc/51/92/57/754519257.db2.gz WGXOFSYADPGCHP-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP CC(C)CNC(=[NH2+])NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000303892618 754559280 /nfs/dbraw/zinc/55/92/80/754559280.db2.gz NSWYEVVBRNMCSB-KBPBESRZSA-N 2 0 268.449 1.915 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001022489257 754689361 /nfs/dbraw/zinc/68/93/61/754689361.db2.gz KCBIBWJCZQNCDH-OWCLPIDISA-N 2 0 291.439 1.674 20 30 CDEDRP CC[NH+](CC)[C@H](CNC(=[NH2+])N[C@@H](C)COC)CC(C)C ZINC000303773742 754707637 /nfs/dbraw/zinc/70/76/37/754707637.db2.gz FKFGFGBTRCUZMT-KBPBESRZSA-N 2 0 286.464 1.682 20 30 CDEDRP CC(C)[C@@H](CNC(=[NH2+])N(C)C1CC1)[NH+]1CCCC1 ZINC000305809960 754725052 /nfs/dbraw/zinc/72/50/52/754725052.db2.gz INXNGWRDKCUKMR-CYBMUJFWSA-N 2 0 252.406 1.516 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001052255287 754732237 /nfs/dbraw/zinc/73/22/37/754732237.db2.gz YXRHLQIFUWHAFQ-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032603139 754779919 /nfs/dbraw/zinc/77/99/19/754779919.db2.gz QNRBLHJTRPWXNU-GJZGRUSLSA-N 2 0 277.412 1.189 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(F)(F)F ZINC000304736993 754825438 /nfs/dbraw/zinc/82/54/38/754825438.db2.gz AJHDEZKUMAZENE-VIFPVBQESA-N 2 0 266.311 1.327 20 30 CDEDRP C#CC[NH+]1CCC(C)(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001045502319 754856055 /nfs/dbraw/zinc/85/60/55/754856055.db2.gz JSPNMKHQMMSDIA-UHFFFAOYSA-N 2 0 296.374 1.552 20 30 CDEDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000924669609 754860874 /nfs/dbraw/zinc/86/08/74/754860874.db2.gz UPWUPUXDDXJOOL-LSDHHAIUSA-N 2 0 280.460 1.930 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023470669 754916243 /nfs/dbraw/zinc/91/62/43/754916243.db2.gz ZNNQMQFAJZWXQO-CQSZACIVSA-N 2 0 298.390 1.962 20 30 CDEDRP C=CCNC(=[NH2+])NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000066244594 754917748 /nfs/dbraw/zinc/91/77/48/754917748.db2.gz PHWMWJYUEJUSMH-BETUJISGSA-N 2 0 266.433 1.833 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998718068 754947106 /nfs/dbraw/zinc/94/71/06/754947106.db2.gz AWQMUEPZOZKUJN-OLZOCXBDSA-N 2 0 285.819 1.414 20 30 CDEDRP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049535182 754958627 /nfs/dbraw/zinc/95/86/27/754958627.db2.gz YUZPDVZHEUYCNI-JYJNAYRXSA-N 2 0 291.439 1.271 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC000823187483 754978286 /nfs/dbraw/zinc/97/82/86/754978286.db2.gz GYPVQYKEYOKZHG-UHFFFAOYSA-N 2 0 267.417 1.036 20 30 CDEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001005994884 754993202 /nfs/dbraw/zinc/99/32/02/754993202.db2.gz DOLNOQKCFKFIBB-GOEBONIOSA-N 2 0 291.439 1.130 20 30 CDEDRP CCCCNC(=[NH2+])NCCC[NH+]1CCCCCC1 ZINC000303770796 755052078 /nfs/dbraw/zinc/05/20/78/755052078.db2.gz CDOIFMBMSPMGAH-UHFFFAOYSA-N 2 0 254.422 1.957 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CC(=C)C)CC1 ZINC001039042312 755078520 /nfs/dbraw/zinc/07/85/20/755078520.db2.gz PSWHTSBRKQDZSP-MRXNPFEDSA-N 2 0 289.423 1.098 20 30 CDEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001073457645 755139968 /nfs/dbraw/zinc/13/99/68/755139968.db2.gz ZMAJIYRFTNQXCZ-HNNXBMFYSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001041405085 755264038 /nfs/dbraw/zinc/26/40/38/755264038.db2.gz ZEGMSYMLDUHCGT-NVXWUHKLSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[NH+]1CCC(N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925609072 755294618 /nfs/dbraw/zinc/29/46/18/755294618.db2.gz OKFXLWVCFHGMFM-GMBUGEKQSA-N 2 0 275.440 1.613 20 30 CDEDRP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001045555168 755296483 /nfs/dbraw/zinc/29/64/83/755296483.db2.gz YEKUMIUYUATJRX-LSDHHAIUSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]12 ZINC001026400801 755451607 /nfs/dbraw/zinc/45/16/07/755451607.db2.gz PYHAXJAQOSOVPG-QLFBSQMISA-N 2 0 289.423 1.095 20 30 CDEDRP CC(C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000304764475 755456113 /nfs/dbraw/zinc/45/61/13/755456113.db2.gz YAOWAPODIWJPCP-HNNXBMFYSA-N 2 0 274.412 1.964 20 30 CDEDRP C=CCNC(=[NH2+])NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000066244595 755533532 /nfs/dbraw/zinc/53/35/32/755533532.db2.gz PHWMWJYUEJUSMH-STQMWFEESA-N 2 0 266.433 1.833 20 30 CDEDRP CC(C)CCNC(=[NH2+])NC[C@H](C)C[NH+]1CCCC1 ZINC000303876749 755678326 /nfs/dbraw/zinc/67/83/26/755678326.db2.gz IHQGAFZYLIYYTN-ZDUSSCGKSA-N 2 0 254.422 1.669 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001002127457 755626917 /nfs/dbraw/zinc/62/69/17/755626917.db2.gz RKRWWXPLHFKWOT-OAHLLOKOSA-N 2 0 279.428 1.342 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C(C)C)CC1 ZINC001032800656 755698173 /nfs/dbraw/zinc/69/81/73/755698173.db2.gz SKBQUYURRHSVRF-HOTGVXAUSA-N 2 0 289.423 1.025 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001036207250 755703470 /nfs/dbraw/zinc/70/34/70/755703470.db2.gz FSUZLVDFNLFHIY-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001032731286 755817591 /nfs/dbraw/zinc/81/75/91/755817591.db2.gz HXKIERXDLKWGRJ-KKUMJFAQSA-N 2 0 277.412 1.189 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001036191796 755838622 /nfs/dbraw/zinc/83/86/22/755838622.db2.gz HIWDJXJLEXEUOZ-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001032557714 755882186 /nfs/dbraw/zinc/88/21/86/755882186.db2.gz PYGGYLUQQZZLCA-GJZGRUSLSA-N 2 0 291.439 1.722 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998555010 755927275 /nfs/dbraw/zinc/92/72/75/755927275.db2.gz CLFPVOYTDBJJHV-BPCQOVAHSA-N 2 0 285.819 1.412 20 30 CDEDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000857234856 755933488 /nfs/dbraw/zinc/93/34/88/755933488.db2.gz NULOBDMDIJTAPW-BFHYXJOUSA-N 2 0 267.417 1.750 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001025818369 756012191 /nfs/dbraw/zinc/01/21/91/756012191.db2.gz BDGHDTFCMTVKNS-ARKGTOAJSA-N 2 0 289.423 1.236 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033098695 756057975 /nfs/dbraw/zinc/05/79/75/756057975.db2.gz JUVVYDFHNSYBPK-OWCLPIDISA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028316971 756117468 /nfs/dbraw/zinc/11/74/68/756117468.db2.gz WHVOFOHLUZMKHI-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP CC[NH+]=C(NCC1CC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261978953 756228340 /nfs/dbraw/zinc/22/83/40/756228340.db2.gz OKZPXFZRRKUJNW-BXUZGUMPSA-N 2 0 264.417 1.434 20 30 CDEDRP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001032664044 756313489 /nfs/dbraw/zinc/31/34/89/756313489.db2.gz OLQNBIDQFATUBJ-HRCADAONSA-N 2 0 291.439 1.720 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996222546 756343103 /nfs/dbraw/zinc/34/31/03/756343103.db2.gz NIVJXNLQSCRFLC-OAHLLOKOSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001014636587 756361355 /nfs/dbraw/zinc/36/13/55/756361355.db2.gz YOBQKQVEHPIYAF-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000305004773 756391923 /nfs/dbraw/zinc/39/19/23/756391923.db2.gz IJAZXBYBTWSLIB-ZDUSSCGKSA-N 2 0 252.406 1.445 20 30 CDEDRP C=CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3[nH]cnc3C)C[C@H]21 ZINC001042325264 756531405 /nfs/dbraw/zinc/53/14/05/756531405.db2.gz DOLMCJUJXITRGA-DZGCQCFKSA-N 2 0 288.395 1.369 20 30 CDEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001005408252 756550740 /nfs/dbraw/zinc/55/07/40/756550740.db2.gz VWVUTLFQFKUYLI-GDBMZVCRSA-N 2 0 291.439 1.273 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001042356446 756566739 /nfs/dbraw/zinc/56/67/39/756566739.db2.gz IFLLVQBNFFVOEU-CABCVRRESA-N 2 0 277.412 1.191 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3nccn3C2)C1 ZINC000999535739 756569639 /nfs/dbraw/zinc/56/96/39/756569639.db2.gz LQTVWARPKUFSEO-KGLIPLIRSA-N 2 0 288.395 1.212 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001016633782 756651413 /nfs/dbraw/zinc/65/14/13/756651413.db2.gz XZGJAWWHFKNLOW-RBSFLKMASA-N 2 0 291.439 1.483 20 30 CDEDRP C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc(OCC#N)cc1 ZINC000817919899 756752298 /nfs/dbraw/zinc/75/22/98/756752298.db2.gz WJGMEOCGASUQJT-IUODEOHRSA-N 2 0 259.353 1.677 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000996868682 756812424 /nfs/dbraw/zinc/81/24/24/756812424.db2.gz WXDBULNMANSHMT-UHFFFAOYSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007348048 756858500 /nfs/dbraw/zinc/85/85/00/756858500.db2.gz YNLPUNUMWXNPGF-HUUCEWRRSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001019823424 756879517 /nfs/dbraw/zinc/87/95/17/756879517.db2.gz INSCFPSOECOCLU-HOTGVXAUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001015690700 756888590 /nfs/dbraw/zinc/88/85/90/756888590.db2.gz PLZMTQANKMRMRK-QWHCGFSZSA-N 2 0 288.395 1.596 20 30 CDEDRP CCOCCCNC(=[NH2+])NCCC1CC[NH+](C)CC1 ZINC000303886428 756945701 /nfs/dbraw/zinc/94/57/01/756945701.db2.gz NTCWROZOGBIBBS-UHFFFAOYSA-N 2 0 270.421 1.049 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C ZINC001017419769 757231556 /nfs/dbraw/zinc/23/15/56/757231556.db2.gz SPZIESZJXIFZNP-ZNMIVQPWSA-N 2 0 277.412 1.332 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001022490425 757246189 /nfs/dbraw/zinc/24/61/89/757246189.db2.gz CSVGYSWLMJLCSU-ZNMIVQPWSA-N 2 0 277.412 1.284 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001027562131 757300021 /nfs/dbraw/zinc/30/00/21/757300021.db2.gz JAVWBZHJDVSXHO-HUUCEWRRSA-N 2 0 281.444 1.681 20 30 CDEDRP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001024617994 757437252 /nfs/dbraw/zinc/43/72/52/757437252.db2.gz OJNUHMYXLHMACR-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP C#C[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809683520 757733570 /nfs/dbraw/zinc/73/35/70/757733570.db2.gz DPDYXQLBCQVVOY-CQSZACIVSA-N 2 0 257.381 1.550 20 30 CDEDRP CCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000303879760 757830845 /nfs/dbraw/zinc/83/08/45/757830845.db2.gz JVKPYIUZAPMOAT-ZDUSSCGKSA-N 2 0 254.422 1.811 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2cnc[nH]2)C[C@@H]1C ZINC001036270478 757917335 /nfs/dbraw/zinc/91/73/35/757917335.db2.gz ZLMDPRCIYZIYTE-QWHCGFSZSA-N 2 0 288.395 1.147 20 30 CDEDRP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001027576459 758063033 /nfs/dbraw/zinc/06/30/33/758063033.db2.gz PIQMPJWKMSQVEO-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)Cc3cncn3C)C2)C1 ZINC001041786407 758188067 /nfs/dbraw/zinc/18/80/67/758188067.db2.gz GMOMOFVXAVWDNB-INIZCTEOSA-N 2 0 288.395 1.073 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CC ZINC001037980196 758499153 /nfs/dbraw/zinc/49/91/53/758499153.db2.gz XBUXYLLBAYVXFA-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001050131528 758802353 /nfs/dbraw/zinc/80/23/53/758802353.db2.gz ZROHAOQQGFTOMU-JKSUJKDBSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CCC[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046588798 758808333 /nfs/dbraw/zinc/80/83/33/758808333.db2.gz SUNKZFWYDALRMH-MRXNPFEDSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[C@H]1CC[C@H]([NH2+]Cc2cn(C3C[NH2+]C3)nn2)C1 ZINC001574900137 1167642540 /nfs/dbraw/zinc/64/25/40/1167642540.db2.gz RPZABQOXQNDTKF-RYUDHWBXSA-N 2 0 261.373 1.257 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC001121957262 913294650 /nfs/dbraw/zinc/29/46/50/913294650.db2.gz RBYFWGZYWSMPJW-QLFBSQMISA-N 2 0 279.428 1.613 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174947748 913410370 /nfs/dbraw/zinc/41/03/70/913410370.db2.gz DSHWIQDNWRUJAA-CQSZACIVSA-N 2 0 279.428 1.226 20 30 CDEDRP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001099199503 913621691 /nfs/dbraw/zinc/62/16/91/913621691.db2.gz NCSZUCQUQPMRCB-OAHLLOKOSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CCCC[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001209156336 894505320 /nfs/dbraw/zinc/50/53/20/894505320.db2.gz AAKQFDXMTHVQCK-UHFFFAOYSA-N 2 0 253.434 1.912 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001020925171 894751488 /nfs/dbraw/zinc/75/14/88/894751488.db2.gz IVCAFCWEVZVGGP-JHJVBQTASA-N 2 0 285.819 1.318 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106627282 914078244 /nfs/dbraw/zinc/07/82/44/914078244.db2.gz ZYMHXCKHZDJOQT-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001216495062 896943215 /nfs/dbraw/zinc/94/32/15/896943215.db2.gz XEZHLARIXZPFCL-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001206273917 914149406 /nfs/dbraw/zinc/14/94/06/914149406.db2.gz DRNPEQMKDQTWCS-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001104595205 898776024 /nfs/dbraw/zinc/77/60/24/898776024.db2.gz LHYDOHRITRLFCA-HUUCEWRRSA-N 2 0 293.455 1.588 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176884304 914338879 /nfs/dbraw/zinc/33/88/79/914338879.db2.gz AYQLFSFHVOLNFV-UHFFFAOYSA-N 2 0 273.380 1.091 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001104924745 899676993 /nfs/dbraw/zinc/67/69/93/899676993.db2.gz RUZQRNVBLDWWBR-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001167815302 901050763 /nfs/dbraw/zinc/05/07/63/901050763.db2.gz QDAGNMKFYRJNDG-UHFFFAOYSA-N 2 0 279.428 1.228 20 30 CDEDRP N#CCCc1ccc(NC(=[NH2+])NCCCC[NH3+])cc1 ZINC001167879042 901611041 /nfs/dbraw/zinc/61/10/41/901611041.db2.gz QXHIKVACSJXFLK-UHFFFAOYSA-N 2 0 259.357 1.818 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1CC ZINC001087726999 905793763 /nfs/dbraw/zinc/79/37/63/905793763.db2.gz ZVKZKDXPZOFIJO-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001088578047 908138891 /nfs/dbraw/zinc/13/88/91/908138891.db2.gz CVTYCFPXQCDWEL-FPCVCCKLSA-N 2 0 293.455 1.872 20 30 CDEDRP C[N+](C)(C)C[C@@H](CC#N)OCCC[NH+]1CCCCC1 ZINC001224860895 911222046 /nfs/dbraw/zinc/22/20/46/911222046.db2.gz QNQUGDZOBNYLPK-OAHLLOKOSA-N 2 0 268.425 1.867 20 30 CDEDRP CC[C@H](C)[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)NO ZINC001172113786 911277364 /nfs/dbraw/zinc/27/73/64/911277364.db2.gz MGYXPTMFVWKDMC-YHQUGGNUSA-N 2 0 283.416 1.511 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001189913715 921719371 /nfs/dbraw/zinc/71/93/71/921719371.db2.gz XLOJCTSGZAHVIH-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203355455 915028806 /nfs/dbraw/zinc/02/88/06/915028806.db2.gz VUCHUEMZAGTHRS-UHFFFAOYSA-N 2 0 297.443 1.111 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001179586412 915887295 /nfs/dbraw/zinc/88/72/95/915887295.db2.gz OCZPMAMQUZTQDS-HZPDHXFCSA-N 2 0 293.455 1.474 20 30 CDEDRP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001180259432 916230492 /nfs/dbraw/zinc/23/04/92/916230492.db2.gz GYCNWGULZYGSJP-HNNXBMFYSA-N 2 0 281.444 1.780 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127638206 916442392 /nfs/dbraw/zinc/44/23/92/916442392.db2.gz HHPXOGIOHUAOGU-MGPQQGTHSA-N 2 0 267.417 1.387 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001183080354 918276096 /nfs/dbraw/zinc/27/60/96/918276096.db2.gz PYXGAPJDFRKERK-HNNXBMFYSA-N 2 0 279.428 1.487 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001183086572 918281487 /nfs/dbraw/zinc/28/14/87/918281487.db2.gz YCEBFHFBHWZSQM-PHZGNYQRSA-N 2 0 291.439 1.770 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183240633 918403093 /nfs/dbraw/zinc/40/30/93/918403093.db2.gz NJAUEMPSHIQTEI-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184585500 919202753 /nfs/dbraw/zinc/20/27/53/919202753.db2.gz PGQWNCWUISEERN-CVEARBPZSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001184858263 919314077 /nfs/dbraw/zinc/31/40/77/919314077.db2.gz IXLPHYSFGRHXDL-RRFJBIMHSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001168666472 920093153 /nfs/dbraw/zinc/09/31/53/920093153.db2.gz HEXWOFMTXYLKBZ-OAHLLOKOSA-N 2 0 281.444 1.472 20 30 CDEDRP C=CCN1CCO[C@](C)(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001108035508 920320755 /nfs/dbraw/zinc/32/07/55/920320755.db2.gz HCQRQWIRQCCNHJ-MRXNPFEDSA-N 2 0 297.443 1.110 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001187283825 920451620 /nfs/dbraw/zinc/45/16/20/920451620.db2.gz AFTZOWCYFSXSSI-GFCCVEGCSA-N 2 0 273.808 1.271 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001188099073 920832977 /nfs/dbraw/zinc/83/29/77/920832977.db2.gz FDOAQAZEUPOVHW-OAHLLOKOSA-N 2 0 277.412 1.076 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188158470 920906630 /nfs/dbraw/zinc/90/66/30/920906630.db2.gz PKSGLDPOIZJXHM-LSDHHAIUSA-N 2 0 281.444 1.872 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001203046977 936724324 /nfs/dbraw/zinc/72/43/24/936724324.db2.gz MPGBKRABPHNRQA-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCN2C)C1 ZINC001098760740 936760727 /nfs/dbraw/zinc/76/07/27/936760727.db2.gz IAWIGHUWDNEHBE-UXLLHSPISA-N 2 0 289.423 1.075 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684440 922717462 /nfs/dbraw/zinc/71/74/62/922717462.db2.gz RSEOEXGXJWYEKI-HNNXBMFYSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192047838 922866072 /nfs/dbraw/zinc/86/60/72/922866072.db2.gz VXHPJGWYCUPWQP-CQSZACIVSA-N 2 0 267.417 1.437 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194419672 924212111 /nfs/dbraw/zinc/21/21/11/924212111.db2.gz JYWVDXXMVQWREW-INIZCTEOSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001080445231 924569643 /nfs/dbraw/zinc/56/96/43/924569643.db2.gz OXNZAOREHLKRJV-ZIAGYGMSSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001082558244 924957109 /nfs/dbraw/zinc/95/71/09/924957109.db2.gz GTQVLWGWPHNRJI-OWCLPIDISA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001082557120 924957235 /nfs/dbraw/zinc/95/72/35/924957235.db2.gz PMAYDAJYEHRTAT-OWCLPIDISA-N 2 0 293.455 1.587 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001082782485 924998230 /nfs/dbraw/zinc/99/82/30/924998230.db2.gz AZQBPFXNWUTMRW-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101400163 936970679 /nfs/dbraw/zinc/97/06/79/936970679.db2.gz JKYWZZFGVZXOQG-WBVHZDCISA-N 2 0 291.439 1.132 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC/C=C\CC)CC1 ZINC001152323947 925102897 /nfs/dbraw/zinc/10/28/97/925102897.db2.gz IBPSZXFYVHJSAB-WAYWQWQTSA-N 2 0 291.439 1.394 20 30 CDEDRP C=CCN1CCCN(C(=O)C[NH+](CC)CC)CC1 ZINC001197492030 925153480 /nfs/dbraw/zinc/15/34/80/925153480.db2.gz LHTKSAPPRJSLPK-UHFFFAOYSA-N 2 0 253.390 1.049 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001084662884 925341320 /nfs/dbraw/zinc/34/13/20/925341320.db2.gz BOEOARAHLRXGFN-ARFHVFGLSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084773442 925420380 /nfs/dbraw/zinc/42/03/80/925420380.db2.gz PTWYCKXBFGFMAK-RBSFLKMASA-N 2 0 277.412 1.047 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)[C@@H]2C1 ZINC001084852457 925458419 /nfs/dbraw/zinc/45/84/19/925458419.db2.gz AEDRPBVVNQJQRN-OWCLPIDISA-N 2 0 291.439 1.580 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001085275271 925849348 /nfs/dbraw/zinc/84/93/48/925849348.db2.gz XWSAIIOXVHMRIX-HZPDHXFCSA-N 2 0 296.374 1.598 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085589647 926196452 /nfs/dbraw/zinc/19/64/52/926196452.db2.gz QEYHHHIOIPCEAP-JKSUJKDBSA-N 2 0 293.455 1.968 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001085629601 926230436 /nfs/dbraw/zinc/23/04/36/926230436.db2.gz YBSHYPLWUNJAPI-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001410897068 926745836 /nfs/dbraw/zinc/74/58/36/926745836.db2.gz YMAMFLXMFHQOAP-QWHCGFSZSA-N 2 0 287.835 1.660 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001086253346 926899164 /nfs/dbraw/zinc/89/91/64/926899164.db2.gz BZRCPSVQBZETGY-LVQVYYBASA-N 2 0 291.439 1.224 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001086478740 927184280 /nfs/dbraw/zinc/18/42/80/927184280.db2.gz YPWWUTNRFFEKMT-FMKGYKFTSA-N 2 0 299.846 1.421 20 30 CDEDRP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001103435266 937142051 /nfs/dbraw/zinc/14/20/51/937142051.db2.gz YRYAHEGYEFNRDK-ARFHVFGLSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150194323 937223097 /nfs/dbraw/zinc/22/30/97/937223097.db2.gz RWHGPUWLLVWBRX-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001202503780 929137744 /nfs/dbraw/zinc/13/77/44/929137744.db2.gz NEXQFWBAULWDQB-HOCLYGCPSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001202504295 929145281 /nfs/dbraw/zinc/14/52/81/929145281.db2.gz SODUMGJQESQFBM-GOEBONIOSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001112866274 929511866 /nfs/dbraw/zinc/51/18/66/929511866.db2.gz XISXZEJASRSJOA-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152246106 937347905 /nfs/dbraw/zinc/34/79/05/937347905.db2.gz RIFIJDZIKJYGFN-UHFFFAOYSA-N 2 0 273.380 1.091 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608543 929813586 /nfs/dbraw/zinc/81/35/86/929813586.db2.gz WZMGKYJIBFSPMQ-CHWSQXEVSA-N 2 0 267.417 1.530 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134810444 929914040 /nfs/dbraw/zinc/91/40/40/929914040.db2.gz YVBZQBLTCKHZHH-STQMWFEESA-N 2 0 298.390 1.762 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135380211 930177841 /nfs/dbraw/zinc/17/78/41/930177841.db2.gz XCBWWIHZBCRUQT-UONOGXRCSA-N 2 0 281.444 1.777 20 30 CDEDRP N#CCc1ccc(N[C@@H]([NH3+])CCC[NH3+])cc1[N+](=O)[O-] ZINC001170901043 930702384 /nfs/dbraw/zinc/70/23/84/930702384.db2.gz URYFDCVMVMVNBT-GFCCVEGCSA-N 2 0 263.301 1.096 20 30 CDEDRP CN(C)/C=[NH+]/c1ccc(N[C@@H]([NH3+])CCC[NH3+])cc1C#N ZINC001170900741 930704747 /nfs/dbraw/zinc/70/47/47/930704747.db2.gz PEWBOOGYQHYEJL-YFEUJDIGSA-N 3 0 274.372 1.215 20 30 CDEDRP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001153501704 937449370 /nfs/dbraw/zinc/44/93/70/937449370.db2.gz RVBXRTRDQQDAFZ-QLFBSQMISA-N 2 0 279.428 1.177 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=C)C)C1 ZINC001091075873 931799182 /nfs/dbraw/zinc/79/91/82/931799182.db2.gz DYOLUVGCXALTLN-GPANFISMSA-N 2 0 289.423 1.145 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001091078719 931803478 /nfs/dbraw/zinc/80/34/78/931803478.db2.gz JFJJLQULVKWIHI-FIYWTHMPSA-N 2 0 274.368 1.184 20 30 CDEDRP C#CCCC[NH+]1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001275975828 932190794 /nfs/dbraw/zinc/19/07/94/932190794.db2.gz POLSDIJHCUIQOH-UHFFFAOYSA-N 2 0 286.423 1.694 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]C(C)C)CC1 ZINC001146610916 932271133 /nfs/dbraw/zinc/27/11/33/932271133.db2.gz KUENXHUNSQLSQS-CABCVRRESA-N 2 0 293.455 1.613 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005243 937621405 /nfs/dbraw/zinc/62/14/05/937621405.db2.gz JWLTWIVGSMMCHQ-CYBMUJFWSA-N 2 0 255.406 1.341 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001155751546 937670582 /nfs/dbraw/zinc/67/05/82/937670582.db2.gz OYDOUIPOFHPSSF-ZIAGYGMSSA-N 2 0 292.427 1.991 20 30 CDEDRP C=C1C[C@@H]2CC([N@H+]3CCO[C@H](C[NH3+])C3)C[C@H](C1)C2 ZINC001257886936 934283913 /nfs/dbraw/zinc/28/39/13/934283913.db2.gz QTTITIVFLNYKEY-IZGVIRRGSA-N 2 0 250.386 1.781 20 30 CDEDRP CC(C)(C)NC(=[NH2+])NCCC[NH+]1CCCCCC1 ZINC000303770235 935044004 /nfs/dbraw/zinc/04/40/04/935044004.db2.gz BRYZUBALVAUGRO-UHFFFAOYSA-N 2 0 254.422 1.955 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001097064191 936263678 /nfs/dbraw/zinc/26/36/78/936263678.db2.gz CJVYAZWCNWLYFR-LVQVYYBASA-N 2 0 291.439 1.767 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374188 938359785 /nfs/dbraw/zinc/35/97/85/938359785.db2.gz MJHDZQQTAYQWQS-CABCVRRESA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158040068 938578100 /nfs/dbraw/zinc/57/81/00/938578100.db2.gz VMSFBUCDDBKGID-CVEARBPZSA-N 2 0 293.455 1.923 20 30 CDEDRP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001160473738 938789872 /nfs/dbraw/zinc/78/98/72/938789872.db2.gz NORURSWYGHZXAG-OAHLLOKOSA-N 2 0 277.412 1.098 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160866932 938833989 /nfs/dbraw/zinc/83/39/89/938833989.db2.gz DNHDSYPLPXIVOW-KGLIPLIRSA-N 2 0 299.846 1.852 20 30 CDEDRP C=CC[N@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161020666 938856807 /nfs/dbraw/zinc/85/68/07/938856807.db2.gz HGENXNULKMSBEM-UHFFFAOYSA-N 2 0 291.439 1.653 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1CCn2cncc2C1 ZINC001161214825 938879851 /nfs/dbraw/zinc/87/98/51/938879851.db2.gz HLNFPYGRVUISCQ-ZDUSSCGKSA-N 2 0 276.384 1.118 20 30 CDEDRP C=CC(NC[C@H]1CCC2(CC[NH2+]CC2)CO1)=[NH+]COC ZINC001162956982 939165650 /nfs/dbraw/zinc/16/56/50/939165650.db2.gz IGXHOARXNFQFID-CYBMUJFWSA-N 2 0 281.400 1.313 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165253917 939534330 /nfs/dbraw/zinc/53/43/30/939534330.db2.gz LEFUVKDQRNUSHJ-UHFFFAOYSA-N 2 0 253.390 1.000 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001166851862 939645034 /nfs/dbraw/zinc/64/50/34/939645034.db2.gz IYKDMHHONHBEDA-ZDUSSCGKSA-N 2 0 255.406 1.389 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001166869571 939645954 /nfs/dbraw/zinc/64/59/54/939645954.db2.gz FDDJONWCOJHZGJ-UHFFFAOYSA-N 2 0 291.439 1.228 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001166924302 939649866 /nfs/dbraw/zinc/64/98/66/939649866.db2.gz JDKXUACOUHWWNK-HNNXBMFYSA-N 2 0 297.443 1.159 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203359484 939683988 /nfs/dbraw/zinc/68/39/88/939683988.db2.gz SPYCJANUQNRUOH-CABCVRRESA-N 2 0 293.455 1.921 20 30 CDEDRP N#CCOc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205101761 939821785 /nfs/dbraw/zinc/82/17/85/939821785.db2.gz KTYJHYSLGBGZAP-AWEZNQCLSA-N 2 0 259.353 1.902 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001205302928 939878982 /nfs/dbraw/zinc/87/89/82/939878982.db2.gz XYDUVPIEIPDSEE-INIZCTEOSA-N 2 0 291.439 1.342 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001206067152 939973815 /nfs/dbraw/zinc/97/38/15/939973815.db2.gz FIGOAARMAXICEF-UHFFFAOYSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208013677 940278807 /nfs/dbraw/zinc/27/88/07/940278807.db2.gz JAZIVAVBKKXGQV-HZPDHXFCSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001208278783 940314092 /nfs/dbraw/zinc/31/40/92/940314092.db2.gz AIOVRGIDBRVYSS-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CCCCN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001209267478 940454878 /nfs/dbraw/zinc/45/48/78/940454878.db2.gz HPOFPDUYJFWEKD-UHFFFAOYSA-N 2 0 263.429 1.359 20 30 CDEDRP C#CCCC[N@H+]1CCc2ncc(Cn3cccn3)n2CC1 ZINC001209267173 940455165 /nfs/dbraw/zinc/45/51/65/940455165.db2.gz LLTBRUOCQJDEMF-UHFFFAOYSA-N 2 0 283.379 1.399 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209315528 940460224 /nfs/dbraw/zinc/46/02/24/940460224.db2.gz QQPHWYJFKUTCCY-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209407777 940585190 /nfs/dbraw/zinc/58/51/90/940585190.db2.gz DMFHNOPAAMVITK-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001209642970 940622043 /nfs/dbraw/zinc/62/20/43/940622043.db2.gz QUZWPGDIVDWBID-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C[NH+]1CCN(c2cc[nH+]cc2Nc2cccnc2C#N)CC1 ZINC001210145537 940666675 /nfs/dbraw/zinc/66/66/75/940666675.db2.gz LKTHBHXJFNOQNJ-UHFFFAOYSA-N 2 0 294.362 1.844 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210277599 940678315 /nfs/dbraw/zinc/67/83/15/940678315.db2.gz VMDZEGVYMHKNGH-OWCLPIDISA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210482013 940693141 /nfs/dbraw/zinc/69/31/41/940693141.db2.gz JEOVLCFYSCTNBN-CYBMUJFWSA-N 2 0 287.835 1.661 20 30 CDEDRP C[N@H+]1CC[C@H]2C[NH+](Cc3cc(C#N)ccn3)C[C@H]2CC1 ZINC001276686983 940698598 /nfs/dbraw/zinc/69/85/98/940698598.db2.gz KJNNYDWYSNWNKF-GASCZTMLSA-N 2 0 270.380 1.727 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210674204 940706212 /nfs/dbraw/zinc/70/62/12/940706212.db2.gz ORGPANLLPDFRNJ-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210744665 940709967 /nfs/dbraw/zinc/70/99/67/940709967.db2.gz SWYABKJNNFKHHC-HNNXBMFYSA-N 2 0 279.428 1.322 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001211258178 940742860 /nfs/dbraw/zinc/74/28/60/940742860.db2.gz ZPBKTLCWNRCWKF-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213769233 940785494 /nfs/dbraw/zinc/78/54/94/940785494.db2.gz KLLXMQBEQQWDQH-HUUCEWRRSA-N 2 0 297.443 1.110 20 30 CDEDRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000402181309 940890694 /nfs/dbraw/zinc/89/06/94/940890694.db2.gz WFVNETZNILWLJN-HZPDHXFCSA-N 2 0 275.396 1.897 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001215518814 940892290 /nfs/dbraw/zinc/89/22/90/940892290.db2.gz NHDLYDUMNYVDFO-OAGGEKHMSA-N 2 0 293.455 1.567 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215541065 940893228 /nfs/dbraw/zinc/89/32/28/940893228.db2.gz WHZLGINAXSRNBH-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)C[C@H]1C ZINC001215855118 940911240 /nfs/dbraw/zinc/91/12/40/940911240.db2.gz MFKNMTCGPCWMJF-GZBFAFLISA-N 2 0 290.411 1.601 20 30 CDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001217933746 941029971 /nfs/dbraw/zinc/02/99/71/941029971.db2.gz NQGCZKFIVZTWPU-RYPNDVFKSA-N 2 0 266.385 1.077 20 30 CDEDRP Cc1[nH]c(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])c(C#N)c1C ZINC001218556155 941235450 /nfs/dbraw/zinc/23/54/50/941235450.db2.gz QLYVRZQRMVMYEN-NSHDSACASA-N 2 0 277.372 1.288 20 30 CDEDRP Cc1ncc(C#N)cc1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218659257 941254761 /nfs/dbraw/zinc/25/47/61/941254761.db2.gz PABPSOKYFTYYJZ-CYBMUJFWSA-N 2 0 299.378 1.074 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219649647 941369817 /nfs/dbraw/zinc/36/98/17/941369817.db2.gz KRNOJZPQSFUWJH-OCCSQVGLSA-N 2 0 265.401 1.000 20 30 CDEDRP C[C@H](NC(=O)C[C@@H]([NH3+])CCCC[NH3+])c1cccc(C#N)c1 ZINC001220048232 941408187 /nfs/dbraw/zinc/40/81/87/941408187.db2.gz JZPPFTGQNDPOAO-WFASDCNBSA-N 2 0 288.395 1.582 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001224545994 941767462 /nfs/dbraw/zinc/76/74/62/941767462.db2.gz DXECKFOPTHCPMO-CQSZACIVSA-N 2 0 279.428 1.342 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001225245722 941832919 /nfs/dbraw/zinc/83/29/19/941832919.db2.gz WVZKNNCQUXDCIF-UHFFFAOYSA-N 2 0 293.455 1.570 20 30 CDEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001225428009 941858016 /nfs/dbraw/zinc/85/80/16/941858016.db2.gz WEIVUBQWGFNKTH-MRXNPFEDSA-N 2 0 293.455 1.733 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001227618654 942198067 /nfs/dbraw/zinc/19/80/67/942198067.db2.gz HMHUQTAKZKMRLM-HNNXBMFYSA-N 2 0 297.418 1.270 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001229692704 942513424 /nfs/dbraw/zinc/51/34/24/942513424.db2.gz JYQGHDVVZUDJOO-ARFHVFGLSA-N 2 0 291.439 1.369 20 30 CDEDRP COCCOC[N@@H+]1CCC2(C1)CCN(CCC#N)CC2 ZINC001277938555 944129717 /nfs/dbraw/zinc/12/97/17/944129717.db2.gz AHNUBRGWGRWJQE-UHFFFAOYSA-N 2 0 281.400 1.308 20 30 CDEDRP C=CCN1CC[C@]2(CCC[N@@H+](CCCC[NH3+])C2)C1=O ZINC001235493638 944172757 /nfs/dbraw/zinc/17/27/57/944172757.db2.gz PTKAMUFKTRYCKP-HNNXBMFYSA-N 2 0 265.401 1.226 20 30 CDEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001235510709 944182762 /nfs/dbraw/zinc/18/27/62/944182762.db2.gz COJFAHBEWSJUOM-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001277979696 944423420 /nfs/dbraw/zinc/42/34/20/944423420.db2.gz ACPUFFGQVXQKJY-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[N@@H+](C)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236891671 944608426 /nfs/dbraw/zinc/60/84/26/944608426.db2.gz YVLJNWZEXHHLQP-UHFFFAOYSA-N 2 0 257.381 1.503 20 30 CDEDRP C[N@@H+]1CC[C@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001255424077 947873952 /nfs/dbraw/zinc/87/39/52/947873952.db2.gz QQOFGNCCXAGESY-KRWDZBQOSA-N 2 0 298.434 1.838 20 30 CDEDRP C=CCCCCCC[C@@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC001246048961 947918190 /nfs/dbraw/zinc/91/81/90/947918190.db2.gz OSGRTDWCOYQRJP-QGZVFWFLSA-N 2 0 297.487 1.711 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](C)COC)CC1 ZINC001255584252 948010265 /nfs/dbraw/zinc/01/02/65/948010265.db2.gz VYCOESICEDCMTJ-MRXNPFEDSA-N 2 0 281.444 1.313 20 30 CDEDRP C=CC[NH+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256619108 948366635 /nfs/dbraw/zinc/36/66/35/948366635.db2.gz UHZHBFWVRXMRSE-UYTSQGDYSA-N 2 0 263.429 1.852 20 30 CDEDRP C=CCOC1CCC([N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246852850 948477430 /nfs/dbraw/zinc/47/74/30/948477430.db2.gz KYSOYAQDIBMWSG-VXGQWTEUSA-N 2 0 250.386 1.923 20 30 CDEDRP CCOC(=O)[C@]12C[N@@H+]([C@@H]3CC[C@H](C#N)C3)C[C@H]1C[NH2+]CC2 ZINC001246861399 948487576 /nfs/dbraw/zinc/48/75/76/948487576.db2.gz YEXAQOUXMXMVBG-DSJMHWKBSA-N 2 0 291.395 1.153 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001252494281 951367698 /nfs/dbraw/zinc/36/76/98/951367698.db2.gz XIGKCWWXPWHAGW-CQSZACIVSA-N 2 0 284.444 1.791 20 30 CDEDRP C=C[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001252577992 951470201 /nfs/dbraw/zinc/47/02/01/951470201.db2.gz AJHAIDAJGLSQHC-QGZVFWFLSA-N 2 0 290.407 1.883 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CCN(CCC[NH+](CC)CC)CC1 ZINC001252600086 951495009 /nfs/dbraw/zinc/49/50/09/951495009.db2.gz WKFJSZVETKWXHK-QGZVFWFLSA-N 2 0 297.487 1.663 20 30 CDEDRP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001253205998 951802742 /nfs/dbraw/zinc/80/27/42/951802742.db2.gz IMJCQFCVVFJKCZ-MGPQQGTHSA-N 2 0 253.390 1.361 20 30 CDEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001330069595 956262132 /nfs/dbraw/zinc/26/21/32/956262132.db2.gz HCQJVPPDHYSALD-OCCSQVGLSA-N 2 0 267.417 1.195 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317154855 957308668 /nfs/dbraw/zinc/30/86/68/957308668.db2.gz QGTZWMRKBCZMPY-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP CCc1cccc(OC[C@H](O)C[NH2+]CC#CC[NH+](C)C)c1 ZINC001335969426 960129147 /nfs/dbraw/zinc/12/91/47/960129147.db2.gz UDNXYRUXSHVYEX-MRXNPFEDSA-N 2 0 290.407 1.143 20 30 CDEDRP C#CCNCC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001340169110 962791600 /nfs/dbraw/zinc/79/16/00/962791600.db2.gz RLZWIILKUPEWPM-UHFFFAOYSA-N 2 0 299.418 1.162 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001420951117 963382172 /nfs/dbraw/zinc/38/21/72/963382172.db2.gz FXSKUDSDXCUKGI-LLVKDONJSA-N 2 0 273.808 1.318 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001341605548 963480354 /nfs/dbraw/zinc/48/03/54/963480354.db2.gz OKYCZNRSDHEONV-GJZGRUSLSA-N 2 0 279.428 1.757 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N(CC)[C@@H]1CCC[NH2+]C1 ZINC001342174264 963662584 /nfs/dbraw/zinc/66/25/84/963662584.db2.gz OUBDYIDVSAVUFE-OLZOCXBDSA-N 2 0 253.390 1.271 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001441422094 964508241 /nfs/dbraw/zinc/50/82/41/964508241.db2.gz ZJXMIYAUBDTBOU-JHJVBQTASA-N 2 0 287.835 1.562 20 30 CDEDRP C#CC[NH2+]CC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001353483445 968007341 /nfs/dbraw/zinc/00/73/41/968007341.db2.gz VYOZYUIGQXPOFW-GASCZTMLSA-N 2 0 279.428 1.084 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+](CC)CC ZINC001353507300 968026093 /nfs/dbraw/zinc/02/60/93/968026093.db2.gz BAYOSZXUAMSBAV-CHWSQXEVSA-N 2 0 255.406 1.517 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001100419005 968291272 /nfs/dbraw/zinc/29/12/72/968291272.db2.gz LPQGCJKLNDVFBB-YMAMQOFZSA-N 2 0 279.428 1.531 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001506741643 975213679 /nfs/dbraw/zinc/21/36/79/975213679.db2.gz IOCSLVVELGPQAC-GJZGRUSLSA-N 2 0 295.471 1.975 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001379416288 975825621 /nfs/dbraw/zinc/82/56/21/975825621.db2.gz GYNOUUMTJFNQJQ-VXGBXAGGSA-N 2 0 275.824 1.419 20 30 CDEDRP C#CCC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132265583 1163218618 /nfs/dbraw/zinc/21/86/18/1163218618.db2.gz PBRIMPZGLWRRDG-LSDHHAIUSA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132266737 1163221701 /nfs/dbraw/zinc/22/17/01/1163221701.db2.gz ZIPVEEIAGGTQKP-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132376999 1163262155 /nfs/dbraw/zinc/26/21/55/1163262155.db2.gz SHWZIOZUYQEEEF-CABCVRRESA-N 2 0 279.428 1.321 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001133345940 1163648626 /nfs/dbraw/zinc/64/86/26/1163648626.db2.gz IITZCZJDWZICRK-HZPDHXFCSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001574908074 1171047235 /nfs/dbraw/zinc/04/72/35/1171047235.db2.gz CITUGDNYXNLVOX-GJZGRUSLSA-N 2 0 297.443 1.287 20 30 CDEDRP CC(C)[N@H+](C)C[C@H](O)CN(C)Cc1ccc(C#N)cc1 ZINC000590603519 342577807 /nfs/dbraw/zinc/57/78/07/342577807.db2.gz ZZKNLQRGAHUEGP-MRXNPFEDSA-N 2 0 275.396 1.691 20 30 CDEDRP N#Cc1ccc(CC[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000595889615 343181622 /nfs/dbraw/zinc/18/16/22/343181622.db2.gz AIQKQYPYVNKZII-UHFFFAOYSA-N 2 0 287.407 1.931 20 30 CDEDRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598592191 343838389 /nfs/dbraw/zinc/83/83/89/343838389.db2.gz HLHHTUIASBIBJH-STQMWFEESA-N 2 0 253.390 1.171 20 30 CDEDRP CC1CC[NH+](CCC[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598705152 343877382 /nfs/dbraw/zinc/87/73/82/343877382.db2.gz ZLJXBQWIIRSNGD-HNNXBMFYSA-N 2 0 281.444 1.999 20 30 CDEDRP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000598721762 343884339 /nfs/dbraw/zinc/88/43/39/343884339.db2.gz ZIDJJHNQTFEWLL-OCCSQVGLSA-N 2 0 265.401 1.361 20 30 CDEDRP CO[C@H]1CN(Cc2ccc(C#N)cc2)[C@@](C)(C[NH3+])C1 ZINC000600888099 349889049 /nfs/dbraw/zinc/88/90/49/349889049.db2.gz YEAVZNLGHDCCCV-HUUCEWRRSA-N 2 0 259.353 1.496 20 30 CDEDRP CC(C)(O)C[NH+]1CCC(NCC(C)(C)C#N)CC1 ZINC000602607124 344491229 /nfs/dbraw/zinc/49/12/29/344491229.db2.gz HGRPJEYZSHXTFF-UHFFFAOYSA-N 2 0 253.390 1.361 20 30 CDEDRP C[NH+](C)CCN1CCC([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602509857 350115697 /nfs/dbraw/zinc/11/56/97/350115697.db2.gz VDHPFYWSKIRKMA-UHFFFAOYSA-N 2 0 287.411 1.069 20 30 CDEDRP CNC(=[NH2+])NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000264076402 362959736 /nfs/dbraw/zinc/95/97/36/362959736.db2.gz FVRMOLINASLXFR-LLVKDONJSA-N 2 0 266.414 1.494 20 30 CDEDRP CC(C)CNC(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1 ZINC000264096271 362965206 /nfs/dbraw/zinc/96/52/06/362965206.db2.gz LYJTUHQESPAROG-UHFFFAOYSA-N 2 0 292.427 1.687 20 30 CDEDRP N#Cc1ccccc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000312451405 350770861 /nfs/dbraw/zinc/77/08/61/350770861.db2.gz XFXZUNSHDNBKSF-MRXNPFEDSA-N 2 0 270.380 1.038 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H](C)[NH2+]C1CC1)C(C)C ZINC000296361811 199866456 /nfs/dbraw/zinc/86/64/56/199866456.db2.gz JNMOQIMRTKKLRF-HOCLYGCPSA-N 2 0 293.455 1.942 20 30 CDEDRP C[C@H]1C[NH+]=C(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)N1 ZINC000262629347 360755158 /nfs/dbraw/zinc/75/51/58/360755158.db2.gz FIOYPSOUXVCUDN-ZFWWWQNUSA-N 2 0 272.396 1.588 20 30 CDEDRP N#C[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000192838420 363997275 /nfs/dbraw/zinc/99/72/75/363997275.db2.gz RZYNEZRZHNIBJO-GJZGRUSLSA-N 2 0 265.401 1.363 20 30 CDEDRP C=C(CC)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000358623165 367823316 /nfs/dbraw/zinc/82/33/16/367823316.db2.gz HBELMJWXBJHKTC-UHFFFAOYSA-N 2 0 252.402 1.997 20 30 CDEDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000176947675 372091221 /nfs/dbraw/zinc/09/12/21/372091221.db2.gz LIIPFHZZPCSREY-CYBMUJFWSA-N 2 0 292.452 1.735 20 30 CDEDRP C=CCNC(=O)[C@H](C)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247969198 377189355 /nfs/dbraw/zinc/18/93/55/377189355.db2.gz HDAKHINXGPAVQI-MJBXVCDLSA-N 2 0 265.401 1.093 20 30 CDEDRP CC[NH+]1CCC(CCNC(=[NH2+])Nc2ccccn2)CC1 ZINC000178573003 391187913 /nfs/dbraw/zinc/18/79/13/391187913.db2.gz KQSFBBVBARPNLA-UHFFFAOYSA-N 2 0 275.400 1.930 20 30 CDEDRP C[NH+](C)CCOc1cc(CNC(=[NH2+])NC(C)(C)C)ccn1 ZINC000270597515 391278027 /nfs/dbraw/zinc/27/80/27/391278027.db2.gz UYQXLULZSCICEX-UHFFFAOYSA-N 2 0 293.415 1.225 20 30 CDEDRP C[C@@H](C[NH3+])C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423315248 392959992 /nfs/dbraw/zinc/95/99/92/392959992.db2.gz ZIXBNZGMZLEPJS-ZDUSSCGKSA-N 2 0 272.396 1.711 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC(N[C@H](C[NH3+])C3CC3)CC2)cc1 ZINC000423278385 392960400 /nfs/dbraw/zinc/96/04/00/392960400.db2.gz PTOPZITZOBNCDI-GOSISDBHSA-N 2 0 298.434 1.850 20 30 CDEDRP C[NH+]=C(NCc1ccccn1)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000158255889 261161793 /nfs/dbraw/zinc/16/17/93/261161793.db2.gz ZORCBQAGJJAANJ-HIFRSBDPSA-N 2 0 289.427 1.475 20 30 CDEDRP C=CCNC(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179712310 261810734 /nfs/dbraw/zinc/81/07/34/261810734.db2.gz FNFNUCKEYLJJLU-UHFFFAOYSA-N 2 0 273.384 1.388 20 30 CDEDRP CNC(NC[C@H](c1ccccc1)[NH+]1CCCC1)=[NH+]C ZINC000263954235 262857399 /nfs/dbraw/zinc/85/73/99/262857399.db2.gz HOKQMIZMSNBHOM-CQSZACIVSA-N 2 0 260.385 1.618 20 30 CDEDRP CN(C(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000273328773 263015599 /nfs/dbraw/zinc/01/55/99/263015599.db2.gz IRUYCPDMEWMZBO-UHFFFAOYSA-N 2 0 287.411 1.707 20 30 CDEDRP C=CCC[C@H](C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414970371 263171678 /nfs/dbraw/zinc/17/16/78/263171678.db2.gz HIUHBKHXTBBTEL-RYUDHWBXSA-N 2 0 279.350 1.767 20 30 CDEDRP C=CC[C@@]1(C(=O)NCC[N@@H+](C)[C@@H](C)CC)CCC[NH2+]1 ZINC000662713767 424364333 /nfs/dbraw/zinc/36/43/33/424364333.db2.gz YLFWMDSRAIZSHQ-ZFWWWQNUSA-N 2 0 267.417 1.531 20 30 CDEDRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000020128394 274246871 /nfs/dbraw/zinc/24/68/71/274246871.db2.gz YPKCKJXDMHIXDB-OAHLLOKOSA-N 2 0 286.423 1.846 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC1CCCC1 ZINC000103905779 278167900 /nfs/dbraw/zinc/16/79/00/278167900.db2.gz YXNQANPEXYEDED-ZDUSSCGKSA-N 2 0 278.444 1.968 20 30 CDEDRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000020128395 279468174 /nfs/dbraw/zinc/46/81/74/279468174.db2.gz YPKCKJXDMHIXDB-HNNXBMFYSA-N 2 0 286.423 1.846 20 30 CDEDRP C[C@H]1C[N@H+](CCC(C)(C)C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000345952300 300253883 /nfs/dbraw/zinc/25/38/83/300253883.db2.gz NEHNRLAXSGTHED-HOTGVXAUSA-N 2 0 292.471 1.884 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C)c1 ZINC000264146052 328157655 /nfs/dbraw/zinc/15/76/55/328157655.db2.gz XWPKJQRPASCUOX-OAHLLOKOSA-N 2 0 274.412 1.884 20 30 CDEDRP C[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185880710 329334473 /nfs/dbraw/zinc/33/44/73/329334473.db2.gz IUGLZGLIBXDYQE-GJZGRUSLSA-N 2 0 264.417 1.296 20 30 CDEDRP CN1CC[NH+]=C1NC[C@H](C1CCCCC1)[NH+](C)C ZINC000262200958 330003919 /nfs/dbraw/zinc/00/39/19/330003919.db2.gz AUQLOJUNDHSMMC-CYBMUJFWSA-N 2 0 252.406 1.388 20 30 CDEDRP CN1CCC[NH+]=C1NCC(C)(C)C[NH+]1CCCC1 ZINC000263127376 330044755 /nfs/dbraw/zinc/04/47/55/330044755.db2.gz MPPAKIKXVYQONM-UHFFFAOYSA-N 2 0 252.406 1.390 20 30 CDEDRP C=CC[NH+]1CCC(N[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422861794 330158221 /nfs/dbraw/zinc/15/82/21/330158221.db2.gz OZRPNIFITHOFSS-GJZGRUSLSA-N 2 0 251.418 1.886 20 30 CDEDRP C=CCC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)C1CC1 ZINC000423181703 330175520 /nfs/dbraw/zinc/17/55/20/330175520.db2.gz PHYFTRIKGPLNSR-OAHLLOKOSA-N 2 0 251.418 1.616 20 30 CDEDRP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424138413 330276612 /nfs/dbraw/zinc/27/66/12/330276612.db2.gz QHFXAOOORPUJJW-HNNXBMFYSA-N 2 0 288.395 1.386 20 30 CDEDRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424160793 330306284 /nfs/dbraw/zinc/30/62/84/330306284.db2.gz UVDLPVACLUDVNA-HUUCEWRRSA-N 2 0 294.443 1.778 20 30 CDEDRP C[C@@H]1CCC[C@](CNC(=O)[C@H]([NH3+])CCCC#N)([NH+](C)C)C1 ZINC000424163974 330308271 /nfs/dbraw/zinc/30/82/71/330308271.db2.gz YMADJSPKQRKGNG-FMKPAKJESA-N 2 0 294.443 1.634 20 30 CDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000451682201 331038984 /nfs/dbraw/zinc/03/89/84/331038984.db2.gz OCRYQUIJORTIEA-SJORKVTESA-N 2 0 295.471 1.726 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(C)(C)C[NH3+])C(C)C ZINC000165198323 331306070 /nfs/dbraw/zinc/30/60/70/331306070.db2.gz UQRWDVGNXKEVSY-CQSZACIVSA-N 2 0 281.444 1.786 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874687 1161200609 /nfs/dbraw/zinc/20/06/09/1161200609.db2.gz PNCLXQHQYYBNHX-OWCLPIDISA-N 2 0 291.439 1.036 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001755862009 1186093951 /nfs/dbraw/zinc/09/39/51/1186093951.db2.gz SERPDDWAFYBHJJ-YMAMQOFZSA-N 2 0 281.444 1.872 20 30 CDEDRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000049557003 524474603 /nfs/dbraw/zinc/47/46/03/524474603.db2.gz OCMUUHCKWNLNQW-SWLSCSKDSA-N 2 0 261.369 1.521 20 30 CDEDRP C[C@H]1CC(=NNCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000741461527 576560269 /nfs/dbraw/zinc/56/02/69/576560269.db2.gz JERAGESMNQPRFP-ZDUSSCGKSA-N 2 0 252.406 1.532 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000971673280 613091650 /nfs/dbraw/zinc/09/16/50/613091650.db2.gz FSNOSOVSNAWUPW-CVEARBPZSA-N 2 0 291.439 1.130 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000971674276 613283098 /nfs/dbraw/zinc/28/30/98/613283098.db2.gz PCJODPZGAWMAMQ-CQSZACIVSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000972330431 613283541 /nfs/dbraw/zinc/28/35/41/613283541.db2.gz GFTGDJVPWQQUHL-LSDHHAIUSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000971566192 613285678 /nfs/dbraw/zinc/28/56/78/613285678.db2.gz BKFYYKFLDOTUHA-OWCLPIDISA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000971778592 613289324 /nfs/dbraw/zinc/28/93/24/613289324.db2.gz ONVIDVQOQRNIFO-UONOGXRCSA-N 2 0 267.417 1.435 20 30 CDEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000969411406 613299561 /nfs/dbraw/zinc/29/95/61/613299561.db2.gz KDRFRRUZVQDYOK-TZMCWYRMSA-N 2 0 265.401 1.093 20 30 CDEDRP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980397933 613368877 /nfs/dbraw/zinc/36/88/77/613368877.db2.gz SVVPURNTNLAIGR-QWHCGFSZSA-N 2 0 285.819 1.223 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000969197215 613384324 /nfs/dbraw/zinc/38/43/24/613384324.db2.gz BGRPFZJDVCSZKX-CYBMUJFWSA-N 2 0 297.830 1.558 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000969960749 613384599 /nfs/dbraw/zinc/38/45/99/613384599.db2.gz VUHXJDVRPWWCQO-WCQYABFASA-N 2 0 285.819 1.271 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948039180 613534795 /nfs/dbraw/zinc/53/47/95/613534795.db2.gz DZMGZJPCHNGOEW-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000971777516 613626299 /nfs/dbraw/zinc/62/62/99/613626299.db2.gz DOZLECBBHKXUMU-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000971522249 613633132 /nfs/dbraw/zinc/63/31/32/613633132.db2.gz JJFKEBFWQNTZEA-LSDHHAIUSA-N 2 0 279.428 1.578 20 30 CDEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000970326670 613670077 /nfs/dbraw/zinc/67/00/77/613670077.db2.gz VDBCZCSHHUTRGL-IHRRRGAJSA-N 2 0 279.428 1.339 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000947498702 613741265 /nfs/dbraw/zinc/74/12/65/613741265.db2.gz XUSJNEVQZYUPEH-HUUCEWRRSA-N 2 0 291.439 1.770 20 30 CDEDRP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974973844 613808559 /nfs/dbraw/zinc/80/85/59/613808559.db2.gz QKHKBUUWCUVAPL-SOUVJXGZSA-N 2 0 293.455 1.729 20 30 CDEDRP N#Cc1ccc(C2CC[NH+](CCOCC[NH3+])CC2)cc1 ZINC000903823403 626103720 /nfs/dbraw/zinc/10/37/20/626103720.db2.gz GJMLZCWNAVBNPP-UHFFFAOYSA-N 2 0 273.380 1.713 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911739072 629459549 /nfs/dbraw/zinc/45/95/49/629459549.db2.gz PJERVSYRNGMWNH-UONOGXRCSA-N 2 0 269.433 1.872 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000911825997 629553920 /nfs/dbraw/zinc/55/39/20/629553920.db2.gz PLNJVLAPKFNYNC-RWMBFGLXSA-N 2 0 253.390 1.256 20 30 CDEDRP CCC[NH+]=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC(C)(C)C ZINC000912509771 630049606 /nfs/dbraw/zinc/04/96/06/630049606.db2.gz QGAKEXHQVUFBBW-ZIAGYGMSSA-N 2 0 296.459 1.593 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)CC[N@@H+](C)CC ZINC001170212441 1162302205 /nfs/dbraw/zinc/30/22/05/1162302205.db2.gz YSUDUFACXUWMJE-AWEZNQCLSA-N 2 0 269.433 1.779 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130556450 1162663300 /nfs/dbraw/zinc/66/33/00/1162663300.db2.gz IFNKSRNJZDWROH-UHFFFAOYSA-N 2 0 296.802 1.366 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158195567 1162773014 /nfs/dbraw/zinc/77/30/14/1162773014.db2.gz ABWRGZSBXZWPNK-HNNXBMFYSA-N 2 0 279.428 1.390 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131821495 1163063196 /nfs/dbraw/zinc/06/31/96/1163063196.db2.gz AJFYXHMJHOOIGY-UHFFFAOYSA-N 2 0 281.444 1.923 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001085245322 1161937599 /nfs/dbraw/zinc/93/75/99/1161937599.db2.gz SWDBOEBKKRAXBR-RBSFLKMASA-N 2 0 279.428 1.674 20 30 CDEDRP C[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCC[C@H]1C[NH3+] ZINC001205995569 1161992122 /nfs/dbraw/zinc/99/21/22/1161992122.db2.gz PDLZHSVSXVISDR-OCCSQVGLSA-N 2 0 260.385 1.704 20 30 CDEDRP Cc1cnc(C[NH3+])n1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001169029256 1161997894 /nfs/dbraw/zinc/99/78/94/1161997894.db2.gz OQDCSAXPLLIYTB-VXLYETTFSA-N 2 0 282.351 1.733 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001113498991 1162195951 /nfs/dbraw/zinc/19/59/51/1162195951.db2.gz COGLOAIWPWVHJA-UHFFFAOYSA-N 2 0 267.417 1.439 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133090099 1163567655 /nfs/dbraw/zinc/56/76/55/1163567655.db2.gz BOKWIARXCJYXAY-CABCVRRESA-N 2 0 279.428 1.036 20 30 CDEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001086786334 1164176499 /nfs/dbraw/zinc/17/64/99/1164176499.db2.gz WDRAYWAGGGKAFZ-YHUYYLMFSA-N 2 0 291.439 1.224 20 30 CDEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC001573311115 1170653690 /nfs/dbraw/zinc/65/36/90/1170653690.db2.gz XQOFLCVEFJENDE-GFCCVEGCSA-N 2 0 255.406 1.326 20 30 CDEDRP CC#CC[C@H]([NH3+])C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC001574972747 1171071858 /nfs/dbraw/zinc/07/18/58/1171071858.db2.gz PMEVALMXQAAPLZ-KBPBESRZSA-N 2 0 291.395 1.519 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001714329288 1179086148 /nfs/dbraw/zinc/08/61/48/1179086148.db2.gz JHIXODUDZPSANT-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001715199392 1179575830 /nfs/dbraw/zinc/57/58/30/1179575830.db2.gz ZJDAABPLTQSYSE-MRXNPFEDSA-N 2 0 285.391 1.120 20 30 CDEDRP C=CC[NH+]1CC[C@@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001753339409 1183978770 /nfs/dbraw/zinc/97/87/70/1183978770.db2.gz QPUCXMTZSLAJRI-CQSZACIVSA-N 2 0 267.417 1.342 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)CCCF)CC1 ZINC001752120817 1184821306 /nfs/dbraw/zinc/82/13/06/1184821306.db2.gz CNSUWDQVWPKLSF-UHFFFAOYSA-N 2 0 297.418 1.129 20 30 CDEDRP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001752460756 1184865891 /nfs/dbraw/zinc/86/58/91/1184865891.db2.gz RRGHBPPJKGZIFI-JKSUJKDBSA-N 2 0 291.439 1.369 20 30 CDEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001752491662 1184871392 /nfs/dbraw/zinc/87/13/92/1184871392.db2.gz UDFIHGAHLPCCRU-INIZCTEOSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001752899172 1184955910 /nfs/dbraw/zinc/95/59/10/1184955910.db2.gz AEWLOKHYCKRSDF-OCCSQVGLSA-N 2 0 290.411 1.424 20 30 CDEDRP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001752980441 1184982497 /nfs/dbraw/zinc/98/24/97/1184982497.db2.gz NIOYOVVWJHULHU-KBPBESRZSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001753160170 1185092368 /nfs/dbraw/zinc/09/23/68/1185092368.db2.gz UOYDHRZXAPILQO-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001753458001 1185217444 /nfs/dbraw/zinc/21/74/44/1185217444.db2.gz AFYQZEOLHSZPNA-CQSZACIVSA-N 2 0 267.417 1.437 20 30 CDEDRP C#CCC[NH2+][C@H](CC)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001753478740 1185228838 /nfs/dbraw/zinc/22/88/38/1185228838.db2.gz VUCDXVCZMXKHEQ-CABCVRRESA-N 2 0 279.428 1.369 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001753875062 1185377181 /nfs/dbraw/zinc/37/71/81/1185377181.db2.gz DWMFFEMLHNDYKW-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001754025737 1185430208 /nfs/dbraw/zinc/43/02/08/1185430208.db2.gz PPPXIASRDOACHR-GFCCVEGCSA-N 2 0 275.824 1.564 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001754225656 1185517388 /nfs/dbraw/zinc/51/73/88/1185517388.db2.gz FXUGFTLFQCUGKP-UKRRQHHQSA-N 2 0 279.428 1.389 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC(=C)C)CC2)CC1 ZINC001754536204 1185662834 /nfs/dbraw/zinc/66/28/34/1185662834.db2.gz VSFUVFZCKRPKRP-UHFFFAOYSA-N 2 0 289.423 1.146 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001754868202 1185753384 /nfs/dbraw/zinc/75/33/84/1185753384.db2.gz NIQTZANQMXQJLE-HZPDHXFCSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001754956053 1185770413 /nfs/dbraw/zinc/77/04/13/1185770413.db2.gz AJWVPTVPNXJXBJ-BZUAXINKSA-N 2 0 291.439 1.226 20 30 CDEDRP C#CCC[NH2+]C1(C)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001755129176 1185826721 /nfs/dbraw/zinc/82/67/21/1185826721.db2.gz GTHYQJDWHFCMBF-UHFFFAOYSA-N 2 0 291.439 1.465 20 30 CDEDRP CC#CC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001755321382 1185916142 /nfs/dbraw/zinc/91/61/42/1185916142.db2.gz LPWDBBMYUYFYST-OAHLLOKOSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001755526179 1185979880 /nfs/dbraw/zinc/97/98/80/1185979880.db2.gz BTRWARTXWOKEOT-GJZGRUSLSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CC[NH2+][C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001755552316 1185987832 /nfs/dbraw/zinc/98/78/32/1185987832.db2.gz IKDDUKIMXZERKT-HUUCEWRRSA-N 2 0 281.444 1.635 20 30 CDEDRP CC#CC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001755599093 1186007279 /nfs/dbraw/zinc/00/72/79/1186007279.db2.gz DMOMGULYFAVYNN-AWEZNQCLSA-N 2 0 279.428 1.321 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001755735661 1186053043 /nfs/dbraw/zinc/05/30/43/1186053043.db2.gz LMNOFZHFYFCTBQ-HUUCEWRRSA-N 2 0 291.439 1.369 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001755743454 1186055105 /nfs/dbraw/zinc/05/51/05/1186055105.db2.gz IZCMFSHDNUFEFZ-LSDHHAIUSA-N 2 0 291.439 1.226 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001755745737 1186056222 /nfs/dbraw/zinc/05/62/22/1186056222.db2.gz CSUNJFVXCYDYAP-HUUCEWRRSA-N 2 0 291.439 1.533 20 30 CDEDRP CN(C[C@H](O)c1cccc(C#N)c1)C[C@@H]1CCC[NH2+]C1 ZINC000402260154 1186440228 /nfs/dbraw/zinc/44/02/28/1186440228.db2.gz RRAQNRRMUMINOG-ZBFHGGJFSA-N 2 0 273.380 1.523 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001018963121 758851040 /nfs/dbraw/zinc/85/10/40/758851040.db2.gz ZZIXPGJMZAOFIK-LBPRGKRZSA-N 2 0 285.819 1.414 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680598 758873060 /nfs/dbraw/zinc/87/30/60/758873060.db2.gz PMSGSXCRUBWLQX-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)CCc2ncc[nH]2)CC1(C)C ZINC000995748886 758882944 /nfs/dbraw/zinc/88/29/44/758882944.db2.gz SUSBHIUPOCPROO-ZDUSSCGKSA-N 2 0 290.411 1.745 20 30 CDEDRP N#CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848719404 758955645 /nfs/dbraw/zinc/95/56/45/758955645.db2.gz DHXZQVYEVJMTAZ-ZIAGYGMSSA-N 2 0 259.353 1.948 20 30 CDEDRP N#CC1CCC(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925653624 758990917 /nfs/dbraw/zinc/99/09/17/758990917.db2.gz IKHAZNZCAWCQHT-OTSVQJDGSA-N 2 0 259.397 1.902 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001020591744 770880371 /nfs/dbraw/zinc/88/03/71/770880371.db2.gz UQDPJKXSENQJQJ-JOCQHMNTSA-N 2 0 299.846 1.708 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC000996001095 768815802 /nfs/dbraw/zinc/81/58/02/768815802.db2.gz XMLGPTXESQNVDP-CQSZACIVSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001072854725 768831869 /nfs/dbraw/zinc/83/18/69/768831869.db2.gz XVDUCRZZDWKAIH-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP CC(C)[NH+](CCCNC(=[NH2+])N1CCSCC1)C(C)C ZINC000304795877 768832387 /nfs/dbraw/zinc/83/23/87/768832387.db2.gz MPLWHXUQGSGUFE-UHFFFAOYSA-N 2 0 286.489 1.859 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001019274955 768838567 /nfs/dbraw/zinc/83/85/67/768838567.db2.gz WFFXQTYUCJZUNX-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032128792 768839729 /nfs/dbraw/zinc/83/97/29/768839729.db2.gz KIESBASXKXAQME-HZPDHXFCSA-N 2 0 291.439 1.178 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(C)nc1 ZINC000304763336 769001194 /nfs/dbraw/zinc/00/11/94/769001194.db2.gz WRLLYVUEUVFNJT-OAHLLOKOSA-N 2 0 289.427 1.321 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001027694377 769005305 /nfs/dbraw/zinc/00/53/05/769005305.db2.gz WNOCHBPCOJUBFL-JKSUJKDBSA-N 2 0 291.439 1.417 20 30 CDEDRP C[NH+]=C(NC[C@H]1CCCC[N@@H+]1C1CC1)NC1CC1 ZINC000849023155 769017748 /nfs/dbraw/zinc/01/77/48/769017748.db2.gz QLEYHGFEDKKYEJ-CYBMUJFWSA-N 2 0 250.390 1.331 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000303877661 769140491 /nfs/dbraw/zinc/14/04/91/769140491.db2.gz FMMQANPYXMVQOP-LSDHHAIUSA-N 2 0 298.475 1.682 20 30 CDEDRP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001033127565 769350201 /nfs/dbraw/zinc/35/02/01/769350201.db2.gz VUYBHTHSCCJJNT-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034037718 769427948 /nfs/dbraw/zinc/42/79/48/769427948.db2.gz DVOLKHYIVVIMAD-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000999392162 769580357 /nfs/dbraw/zinc/58/03/57/769580357.db2.gz QOOZGWLAKYMHAB-CABCVRRESA-N 2 0 277.412 1.073 20 30 CDEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000985793259 769712850 /nfs/dbraw/zinc/71/28/50/769712850.db2.gz QDNMQQFNWAMWFJ-UHFFFAOYSA-N 2 0 299.846 1.758 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000996604540 769720270 /nfs/dbraw/zinc/72/02/70/769720270.db2.gz YISHKNCJAQIHND-UKRRQHHQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001000098142 769819866 /nfs/dbraw/zinc/81/98/66/769819866.db2.gz BGAMOGQTIPMQLU-ZIAGYGMSSA-N 2 0 267.417 1.339 20 30 CDEDRP C#CC[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001054829775 769822606 /nfs/dbraw/zinc/82/26/06/769822606.db2.gz JBCAUKKIFZVPSN-LRDDRELGSA-N 2 0 296.374 1.326 20 30 CDEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000996976223 769824696 /nfs/dbraw/zinc/82/46/96/769824696.db2.gz BTHUQIAUUFSVNL-UKRRQHHQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000999406710 769827354 /nfs/dbraw/zinc/82/73/54/769827354.db2.gz PSMPICFPBHJKRT-IYXRBSQSSA-N 2 0 299.846 1.802 20 30 CDEDRP C[C@H]1CCC[N@@H+](C(C)(C)C[NH+]=C(N(C)C)N(C)C)C1 ZINC000261976072 769833584 /nfs/dbraw/zinc/83/35/84/769833584.db2.gz FYKOSUHCZZIOEB-ZDUSSCGKSA-N 2 0 268.449 1.976 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015899278 769855590 /nfs/dbraw/zinc/85/55/90/769855590.db2.gz MFRXIEJEPJDBML-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC001044744425 769865285 /nfs/dbraw/zinc/86/52/85/769865285.db2.gz OWHHHSYGWIRMIL-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H](C)C1 ZINC001044630453 769867755 /nfs/dbraw/zinc/86/77/55/769867755.db2.gz WLOSMURDJQTCPM-KBPBESRZSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001038241869 769896189 /nfs/dbraw/zinc/89/61/89/769896189.db2.gz WVKUMCCCHRNWRQ-HUUCEWRRSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)Cn2ccnc2C)CC1 ZINC001004160895 770026895 /nfs/dbraw/zinc/02/68/95/770026895.db2.gz MSWYSHCXDLWGGH-UHFFFAOYSA-N 2 0 276.384 1.348 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000989561922 770065227 /nfs/dbraw/zinc/06/52/27/770065227.db2.gz KXYJPSOMFRQQSI-WMLDXEAASA-N 2 0 299.418 1.574 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001022838593 770128557 /nfs/dbraw/zinc/12/85/57/770128557.db2.gz SGACFSYVIVQBAG-QKPAOTATSA-N 2 0 291.439 1.816 20 30 CDEDRP C[C@H]1CNC(NN=C2CC[NH+](CCC(F)(F)F)CC2)=[NH+]1 ZINC000779795820 770301070 /nfs/dbraw/zinc/30/10/70/770301070.db2.gz YQEJHWGBUWQXLG-VIFPVBQESA-N 2 0 291.321 1.328 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995895937 770516151 /nfs/dbraw/zinc/51/61/51/770516151.db2.gz NEDZJEJIPQCBTR-UONOGXRCSA-N 2 0 279.428 1.339 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001018962954 770728397 /nfs/dbraw/zinc/72/83/97/770728397.db2.gz RNHXJHRQWOCTCI-CABCVRRESA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001027680570 770803848 /nfs/dbraw/zinc/80/38/48/770803848.db2.gz HPPNJBDXANLAOK-UONOGXRCSA-N 2 0 265.401 1.047 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H](CC(C)C)[NH+]1CCCC1 ZINC000303775723 770840091 /nfs/dbraw/zinc/84/00/91/770840091.db2.gz GYQXKVAIMRYALM-ZIAGYGMSSA-N 2 0 284.448 1.436 20 30 CDEDRP C#CCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000815209452 770848103 /nfs/dbraw/zinc/84/81/03/770848103.db2.gz XBYIMRYBPNIVEW-XYPWUTKMSA-N 2 0 264.413 1.973 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001027451968 770859944 /nfs/dbraw/zinc/85/99/44/770859944.db2.gz JAVWBZHJDVSXHO-GJZGRUSLSA-N 2 0 281.444 1.681 20 30 CDEDRP NC(=[NH2+])N=NC1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000841619985 770887864 /nfs/dbraw/zinc/88/78/64/770887864.db2.gz QBISLLMMYFZIJL-AWEZNQCLSA-N 2 0 271.368 1.825 20 30 CDEDRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N[C@@H](C)COC ZINC000303891318 771031986 /nfs/dbraw/zinc/03/19/86/771031986.db2.gz QPPLJOJBJJAKII-UONOGXRCSA-N 2 0 284.448 1.580 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001027463945 771040528 /nfs/dbraw/zinc/04/05/28/771040528.db2.gz ARJOZSNNVBJPAJ-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001074686062 771176698 /nfs/dbraw/zinc/17/66/98/771176698.db2.gz LPDLSDKLHQOMKI-JYJNAYRXSA-N 2 0 291.439 1.462 20 30 CDEDRP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001027576460 771250164 /nfs/dbraw/zinc/25/01/64/771250164.db2.gz PIQMPJWKMSQVEO-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046317531 771251694 /nfs/dbraw/zinc/25/16/94/771251694.db2.gz HSJVXIZVZZWXCG-WBVHZDCISA-N 2 0 291.439 1.485 20 30 CDEDRP COc1ccc(NC(=[NH2+])NCC2CC[NH+](C)CC2)cc1 ZINC000303905980 771298821 /nfs/dbraw/zinc/29/88/21/771298821.db2.gz ZSGFJZWZGJVZFG-UHFFFAOYSA-N 2 0 276.384 1.764 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001032780750 771323705 /nfs/dbraw/zinc/32/37/05/771323705.db2.gz CJCIAUMZYBSTPL-KKUMJFAQSA-N 2 0 277.412 1.189 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001023372027 771464429 /nfs/dbraw/zinc/46/44/29/771464429.db2.gz LFENSSJAJNIHHL-HRCADAONSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001018938359 771720383 /nfs/dbraw/zinc/72/03/83/771720383.db2.gz KRUQIMKVKXHWMT-KBPBESRZSA-N 2 0 299.846 1.804 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC ZINC001037854550 771817703 /nfs/dbraw/zinc/81/77/03/771817703.db2.gz QQMAZJSXXTWKQW-CABCVRRESA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001001010424 771819305 /nfs/dbraw/zinc/81/93/05/771819305.db2.gz URQALOANSRDGBB-HOTGVXAUSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CCC)C2)CC1 ZINC001000994540 771820855 /nfs/dbraw/zinc/82/08/55/771820855.db2.gz VNRHJWJSJZEHJV-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP CCOCCCNC(=[NH2+])NCCC[N@@H+]1CCCC[C@@H]1C ZINC000303790853 771840386 /nfs/dbraw/zinc/84/03/86/771840386.db2.gz WXUFVQKFLUJIDU-AWEZNQCLSA-N 2 0 284.448 1.582 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2occc2CN(C)C)C1 ZINC001015622117 771861233 /nfs/dbraw/zinc/86/12/33/771861233.db2.gz CLSAPMRMNVCRDI-CQSZACIVSA-N 2 0 289.379 1.169 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC000928655502 771864473 /nfs/dbraw/zinc/86/44/73/771864473.db2.gz RRJTXEFLORAHJX-HNNXBMFYSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001000081791 771865270 /nfs/dbraw/zinc/86/52/70/771865270.db2.gz NETMDEDUABISLB-AWEZNQCLSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995973973 771927853 /nfs/dbraw/zinc/92/78/53/771927853.db2.gz GPSREGRAIOSAOU-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035853467 772085028 /nfs/dbraw/zinc/08/50/28/772085028.db2.gz XGXDYHNWGBAPRS-CQSZACIVSA-N 2 0 277.412 1.049 20 30 CDEDRP C=C(Cl)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000852751126 772125195 /nfs/dbraw/zinc/12/51/95/772125195.db2.gz QEUYQABVSKZDIT-OLZOCXBDSA-N 2 0 258.793 1.957 20 30 CDEDRP C#CCN(C(=O)c1cccc2nccn21)C1CC[NH+](C)CC1 ZINC000886579957 772153142 /nfs/dbraw/zinc/15/31/42/772153142.db2.gz PBTSPINDXNXHKH-UHFFFAOYSA-N 2 0 296.374 1.504 20 30 CDEDRP C=CCN1CCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008067714 772261186 /nfs/dbraw/zinc/26/11/86/772261186.db2.gz UNRGHFHUZDMFDY-HZPDHXFCSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001038329204 772313621 /nfs/dbraw/zinc/31/36/21/772313621.db2.gz OXVKSWUYZASVTE-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001038241870 772362488 /nfs/dbraw/zinc/36/24/88/772362488.db2.gz WVKUMCCCHRNWRQ-LSDHHAIUSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1(C)C ZINC000995828465 772387571 /nfs/dbraw/zinc/38/75/71/772387571.db2.gz YTWBWRNBDWZNKG-RRFJBIMHSA-N 2 0 291.439 1.177 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001825661 772389003 /nfs/dbraw/zinc/38/90/03/772389003.db2.gz NDUSRHHRKNYZAI-ZBFHGGJFSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052932461 772391409 /nfs/dbraw/zinc/39/14/09/772391409.db2.gz ODNNNFCKLJGRAE-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000998995925 772406975 /nfs/dbraw/zinc/40/69/75/772406975.db2.gz WEPFMVOGBDSEDR-RUXDESIVSA-N 2 0 299.846 1.802 20 30 CDEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH+]=C(N(C)C)N(C)C)C1 ZINC000104168618 772429143 /nfs/dbraw/zinc/42/91/43/772429143.db2.gz PTJMLDGSWRBNHJ-OKILXGFUSA-N 2 0 268.449 1.834 20 30 CDEDRP C=CCNC(=O)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886580830 772435194 /nfs/dbraw/zinc/43/51/94/772435194.db2.gz ZTDOFKFMVAIKPG-UHFFFAOYSA-N 2 0 279.428 1.675 20 30 CDEDRP C#C[C@H](CC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809686360 772478110 /nfs/dbraw/zinc/47/81/10/772478110.db2.gz NSBUBAUEAPAZBX-MRXNPFEDSA-N 2 0 271.408 1.940 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015652384 772490462 /nfs/dbraw/zinc/49/04/62/772490462.db2.gz DOMSAKQCKAAXRC-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001049215547 772530951 /nfs/dbraw/zinc/53/09/51/772530951.db2.gz YXPOQFDFPYUDSQ-OKILXGFUSA-N 2 0 297.830 1.225 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001022202377 772559496 /nfs/dbraw/zinc/55/94/96/772559496.db2.gz YBDNHUHPDSTBQE-IJEWVQPXSA-N 2 0 291.439 1.816 20 30 CDEDRP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])N(C)C2CC2)C1 ZINC000305840566 772598549 /nfs/dbraw/zinc/59/85/49/772598549.db2.gz YXXSLNAHVQRBTL-GFCCVEGCSA-N 2 0 252.406 1.516 20 30 CDEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001005993122 772626761 /nfs/dbraw/zinc/62/67/61/772626761.db2.gz ZDKKUIYWVGKLFY-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001044873385 772695655 /nfs/dbraw/zinc/69/56/55/772695655.db2.gz YCWNOGCYIAHAPO-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CCC[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001038872477 772699189 /nfs/dbraw/zinc/69/91/89/772699189.db2.gz PKXMZPDQHNNZAK-INIZCTEOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997422238 772789825 /nfs/dbraw/zinc/78/98/25/772789825.db2.gz UDWPAPMYWNBEFN-HIFRSBDPSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001022534397 772790798 /nfs/dbraw/zinc/79/07/98/772790798.db2.gz SQIPJBOQQHKSBC-OKILXGFUSA-N 2 0 279.428 1.674 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001014499824 772814371 /nfs/dbraw/zinc/81/43/71/772814371.db2.gz FYJXXFAKSXOQPY-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C[C@H](CNC(=[NH2+])NCC1CCC1)C[NH+]1CCCCC1 ZINC000303902524 772839972 /nfs/dbraw/zinc/83/99/72/772839972.db2.gz XUIKKEGMAWJVKQ-CYBMUJFWSA-N 2 0 266.433 1.813 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001014425549 772848709 /nfs/dbraw/zinc/84/87/09/772848709.db2.gz PYDQNWJUDMUFOD-OAHLLOKOSA-N 2 0 296.374 1.470 20 30 CDEDRP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000262005545 772876272 /nfs/dbraw/zinc/87/62/72/772876272.db2.gz RJZBUEMLNIHJOG-LBPRGKRZSA-N 2 0 254.422 1.810 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(NC[C@H]1CCCS1)=[NH+]C ZINC000262027065 772878045 /nfs/dbraw/zinc/87/80/45/772878045.db2.gz ZYFWZGRAGNJBTH-CHWSQXEVSA-N 2 0 284.473 1.531 20 30 CDEDRP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001028537829 772886972 /nfs/dbraw/zinc/88/69/72/772886972.db2.gz SREGCENACXWICG-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001014628568 773006400 /nfs/dbraw/zinc/00/64/00/773006400.db2.gz IYDGYHBCXZYDRU-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP CN(CCNC(=[NH2+])Nc1ccccn1)Cc1ccccc1 ZINC000170910081 773024857 /nfs/dbraw/zinc/02/48/57/773024857.db2.gz CIBWBQZNGHEJEG-UHFFFAOYSA-N 2 0 283.379 1.940 20 30 CDEDRP CC[NH+]=C(NC1CC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261931662 773062305 /nfs/dbraw/zinc/06/23/05/773062305.db2.gz BMVXSMUFXGUXSI-GXFFZTMASA-N 2 0 250.390 1.187 20 30 CDEDRP C#CC[NH+](C)CCCNC(=O)N(CCC)[C@@H]1CC[N@H+](C)C1 ZINC000827114874 773118571 /nfs/dbraw/zinc/11/85/71/773118571.db2.gz PWCABXLTXVWLIV-OAHLLOKOSA-N 2 0 294.443 1.067 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001034648222 773154553 /nfs/dbraw/zinc/15/45/53/773154553.db2.gz FQHRNQLZZMBHJJ-BZUAXINKSA-N 2 0 291.439 1.531 20 30 CDEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998536314 773314954 /nfs/dbraw/zinc/31/49/54/773314954.db2.gz RFSQXUBUXWZIBW-RUXDESIVSA-N 2 0 265.401 1.236 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001006410973 773632817 /nfs/dbraw/zinc/63/28/17/773632817.db2.gz MWSTYBLVBQOFHD-ZDUSSCGKSA-N 2 0 265.401 1.047 20 30 CDEDRP CC[NH+]1CCN(c2ccc(CNCCC#N)cc2F)CC1 ZINC000819031847 773706569 /nfs/dbraw/zinc/70/65/69/773706569.db2.gz AGCPBBCXLPPGAW-UHFFFAOYSA-N 2 0 290.386 1.971 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001566910423 1168042277 /nfs/dbraw/zinc/04/22/77/1168042277.db2.gz SOAMFDJYEJQDJK-GJZGRUSLSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001566810910 1168430547 /nfs/dbraw/zinc/43/05/47/1168430547.db2.gz HWXSMMDYUPGMPQ-IHRRRGAJSA-N 2 0 267.417 1.386 20 30 CDEDRP C#CCN1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H]1C ZINC001088897271 912228802 /nfs/dbraw/zinc/22/88/02/912228802.db2.gz BNVJJOHEEWEEFN-OWCLPIDISA-N 2 0 291.439 1.462 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127255717 913196196 /nfs/dbraw/zinc/19/61/96/913196196.db2.gz LBXQHEVDSVEXQJ-OLZOCXBDSA-N 2 0 285.819 1.319 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001106272010 913764412 /nfs/dbraw/zinc/76/44/12/913764412.db2.gz QAVVMBLNENQHJE-OAGGEKHMSA-N 2 0 291.439 1.178 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001208260908 894157084 /nfs/dbraw/zinc/15/70/84/894157084.db2.gz HLZPZTUBAJKSTG-CABCVRRESA-N 2 0 297.418 1.270 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001106309219 913853320 /nfs/dbraw/zinc/85/33/20/913853320.db2.gz QIIQXWRSSNAXPO-MGPQQGTHSA-N 2 0 267.417 1.197 20 30 CDEDRP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089336866 914029466 /nfs/dbraw/zinc/02/94/66/914029466.db2.gz ZACLUDIFJNIOCV-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001106660562 914111365 /nfs/dbraw/zinc/11/13/65/914111365.db2.gz RWUXUYXMXYXSTJ-BZUAXINKSA-N 2 0 295.471 1.977 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267157235 896948988 /nfs/dbraw/zinc/94/89/88/896948988.db2.gz KHTALAOCTOMKLM-UONOGXRCSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167635168 897124505 /nfs/dbraw/zinc/12/45/05/897124505.db2.gz KZOFLIKZAFQPTG-OAHLLOKOSA-N 2 0 281.444 1.921 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176583411 914166446 /nfs/dbraw/zinc/16/64/46/914166446.db2.gz NYGMFDJYKNRMQZ-OAHLLOKOSA-N 2 0 279.428 1.370 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001027578644 900621968 /nfs/dbraw/zinc/62/19/68/900621968.db2.gz PODCJMQXEDJYII-GJZGRUSLSA-N 2 0 281.444 1.826 20 30 CDEDRP Cc1cc(NC(=[NH2+])NCCCC[NH3+])nc(C)c1C#N ZINC001167881194 901631680 /nfs/dbraw/zinc/63/16/80/901631680.db2.gz XRECATLNTJHUSF-UHFFFAOYSA-N 2 0 260.345 1.245 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001482160608 902783525 /nfs/dbraw/zinc/78/35/25/902783525.db2.gz IHTNKMIMTFBCIR-CHWSQXEVSA-N 2 0 255.406 1.245 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001088381749 907064810 /nfs/dbraw/zinc/06/48/10/907064810.db2.gz LJZHAALYTONQJG-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C[C@@H](CCCC#N)N(CC[NH+](C)C)CC[NH+](C)C ZINC001172504310 911736743 /nfs/dbraw/zinc/73/67/43/911736743.db2.gz GKJYNOHQAGHGBO-AWEZNQCLSA-N 2 0 254.422 1.494 20 30 CDEDRP C=C(C)CN1CC[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273031266 921693270 /nfs/dbraw/zinc/69/32/70/921693270.db2.gz WGXPHYIUQMJBRX-QGZVFWFLSA-N 2 0 291.439 1.487 20 30 CDEDRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172982443 912113532 /nfs/dbraw/zinc/11/35/32/912113532.db2.gz ZFLUWLNITQXJLA-XQQFMLRXSA-N 2 0 296.415 1.462 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001179580656 915909698 /nfs/dbraw/zinc/90/96/98/915909698.db2.gz LLGSNGRFICMNMH-OAHLLOKOSA-N 2 0 279.428 1.370 20 30 CDEDRP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001484619721 915956606 /nfs/dbraw/zinc/95/66/06/915956606.db2.gz SQYDBDJKNYXULE-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=[NH2+])N2CCOCC2)C1 ZINC000303888380 935046670 /nfs/dbraw/zinc/04/66/70/935046670.db2.gz LJCKKCUYYMLLKI-OKILXGFUSA-N 2 0 282.432 1.001 20 30 CDEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001181727915 917307982 /nfs/dbraw/zinc/30/79/82/917307982.db2.gz GBXAANWSNRQCKV-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCN1CC[C@@]2(CC[N@@H+](Cc3cnccc3N)C2)C1=O ZINC001272808327 919417864 /nfs/dbraw/zinc/41/78/64/919417864.db2.gz OZIBUZVZZJBJAR-MRXNPFEDSA-N 2 0 286.379 1.105 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001185448265 919631294 /nfs/dbraw/zinc/63/12/94/919631294.db2.gz WWOXMVODAGBERX-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121343 920368954 /nfs/dbraw/zinc/36/89/54/920368954.db2.gz HTFYDEPSYNWBEJ-HUUCEWRRSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001161206778 936679160 /nfs/dbraw/zinc/67/91/60/936679160.db2.gz NWOHWZBHJRPAGM-OAHLLOKOSA-N 2 0 291.439 1.795 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034216508 922546314 /nfs/dbraw/zinc/54/63/14/922546314.db2.gz HSLBNBDQPHJURV-OWCLPIDISA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192387151 923049387 /nfs/dbraw/zinc/04/93/87/923049387.db2.gz VHVITTSYXBJFII-AWEZNQCLSA-N 2 0 281.444 1.683 20 30 CDEDRP C=CCN1CC[C@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001273143768 923224988 /nfs/dbraw/zinc/22/49/88/923224988.db2.gz KWXZSKFELBAPGD-RDJZCZTQSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CCCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001197158346 925077591 /nfs/dbraw/zinc/07/75/91/925077591.db2.gz MVXWMXNOVAOGTQ-HOTGVXAUSA-N 2 0 293.455 1.685 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001152452204 925430124 /nfs/dbraw/zinc/43/01/24/925430124.db2.gz WPYYTPREBWLYSX-LSDHHAIUSA-N 2 0 281.444 1.921 20 30 CDEDRP C[NH+](C)CCC(=O)N1CCC([C@H]2CCCN2CC#N)CC1 ZINC001230591514 925504970 /nfs/dbraw/zinc/50/49/70/925504970.db2.gz ALMDJMGDFNUKGH-OAHLLOKOSA-N 2 0 292.427 1.165 20 30 CDEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201333802 926271866 /nfs/dbraw/zinc/27/18/66/926271866.db2.gz DLHAYOQTDSGRQD-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001086477067 927174180 /nfs/dbraw/zinc/17/41/80/927174180.db2.gz ROCGLWVESPRGSE-TUVASFSCSA-N 2 0 279.428 1.245 20 30 CDEDRP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CCC)C1 ZINC001103664591 937150469 /nfs/dbraw/zinc/15/04/69/937150469.db2.gz KTMJNTRSSYAYKV-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP COC(=O)C1(C#N)CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169161113 927794365 /nfs/dbraw/zinc/79/43/65/927794365.db2.gz OCOFVLIHLBRAQG-BTTYYORXSA-N 2 0 291.395 1.390 20 30 CDEDRP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CC)C2 ZINC001108791119 928635729 /nfs/dbraw/zinc/63/57/29/928635729.db2.gz OZYKLIGDXKTCCG-JYJNAYRXSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C[C@](C)(O)C[NH+]1CCN(CCC[NH+](CC)CC)CC1 ZINC001252556430 929213812 /nfs/dbraw/zinc/21/38/12/929213812.db2.gz CBEXCOFNIIZVMD-INIZCTEOSA-N 2 0 283.460 1.273 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152148851 937339745 /nfs/dbraw/zinc/33/97/45/937339745.db2.gz SEBIHWHYEAGEJL-OKILXGFUSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135375256 930176223 /nfs/dbraw/zinc/17/62/23/930176223.db2.gz KJXPGYOZABSTHF-OLZOCXBDSA-N 2 0 255.406 1.387 20 30 CDEDRP C=CC[NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135337109 930162490 /nfs/dbraw/zinc/16/24/90/930162490.db2.gz SJLFANFWLSVSNO-UHFFFAOYSA-N 2 0 261.369 1.254 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135475981 930225929 /nfs/dbraw/zinc/22/59/29/930225929.db2.gz HOCNGZAOCCVQOI-GJZGRUSLSA-N 2 0 293.455 1.615 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135475980 930226927 /nfs/dbraw/zinc/22/69/27/930226927.db2.gz HOCNGZAOCCVQOI-CABCVRRESA-N 2 0 293.455 1.615 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135608273 930290748 /nfs/dbraw/zinc/29/07/48/930290748.db2.gz IBYSUKBTUAXRRV-UONOGXRCSA-N 2 0 279.428 1.224 20 30 CDEDRP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135861822 930480761 /nfs/dbraw/zinc/48/07/61/930480761.db2.gz XXFHUIXDHOBAEY-CABCVRRESA-N 2 0 299.459 1.404 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135979322 930578511 /nfs/dbraw/zinc/57/85/11/930578511.db2.gz FLBZHFRVBIVRFU-KGLIPLIRSA-N 2 0 267.417 1.224 20 30 CDEDRP N#Cc1c(F)c(F)c(N[C@H]([NH3+])CCC[NH3+])c(F)c1F ZINC001170900750 930704534 /nfs/dbraw/zinc/70/45/34/930704534.db2.gz PKKNXDQATKWNQQ-LURJTMIESA-N 2 0 276.237 1.550 20 30 CDEDRP N#Cc1cc(F)c(Cl)nc1N[C@H]([NH3+])CCC[NH3+] ZINC001159779287 930834699 /nfs/dbraw/zinc/83/46/99/930834699.db2.gz DQQUFGRCHCYHEQ-QMMMGPOBSA-N 2 0 257.700 1.181 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001153802279 937471845 /nfs/dbraw/zinc/47/18/45/937471845.db2.gz HVWFZOHRCVNPOV-HZPDHXFCSA-N 2 0 295.471 1.977 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001171117572 931577378 /nfs/dbraw/zinc/57/73/78/931577378.db2.gz BTCAZEPUEBAPCY-HZPDHXFCSA-N 2 0 293.455 1.759 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171217882 931991346 /nfs/dbraw/zinc/99/13/46/931991346.db2.gz OVQUBAVXRDAJRT-CYBMUJFWSA-N 2 0 253.390 1.000 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001095424109 932447252 /nfs/dbraw/zinc/44/72/52/932447252.db2.gz FTUOXRDDEPXROC-WCVJEAGWSA-N 2 0 289.423 1.236 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147300762 932456550 /nfs/dbraw/zinc/45/65/50/932456550.db2.gz BBCXRCRSKXCQKH-UHFFFAOYSA-N 2 0 279.428 1.390 20 30 CDEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001095437118 932475242 /nfs/dbraw/zinc/47/52/42/932475242.db2.gz KTPCEHRMHWSZKM-SUJAAXHWSA-N 2 0 289.423 1.071 20 30 CDEDRP C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001095766514 934396105 /nfs/dbraw/zinc/39/61/05/934396105.db2.gz GLTJHKXAZRMSQK-KBMXLJTQSA-N 2 0 294.358 1.303 20 30 CDEDRP N#Cc1ccc([C@H](O)C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037904436 934834470 /nfs/dbraw/zinc/83/44/70/934834470.db2.gz KODSIHCAMZMQOU-RHSMWYFYSA-N 2 0 285.391 1.666 20 30 CDEDRP CCNC(NCC[C@@H](C)[NH+]1CCCCC1)=[NH+]CC ZINC000305797206 935212265 /nfs/dbraw/zinc/21/22/65/935212265.db2.gz BBWPUFPVKBPOJP-CYBMUJFWSA-N 2 0 254.422 1.826 20 30 CDEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001096013842 935880732 /nfs/dbraw/zinc/88/07/32/935880732.db2.gz RPGNCMWLXVGZMF-FZKCQIBNSA-N 2 0 291.439 1.768 20 30 CDEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[NH+](CC)CC)C2)C1 ZINC001121935493 937892330 /nfs/dbraw/zinc/89/23/30/937892330.db2.gz QEABDROVORLTGB-UHFFFAOYSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CC[NH2+]CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001121997321 937897594 /nfs/dbraw/zinc/89/75/94/937897594.db2.gz VFZVGUILJRWOQQ-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP N#Cc1c[nH]c2nc(N[C@]3(C[NH3+])C[NH+]4CCC3CC4)ccc12 ZINC001160513786 938793460 /nfs/dbraw/zinc/79/34/60/938793460.db2.gz QVPAVEKJVGNHHV-MRXNPFEDSA-N 2 0 296.378 1.270 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160834248 938830969 /nfs/dbraw/zinc/83/09/69/938830969.db2.gz GECPVWQYTZPWAL-UHFFFAOYSA-N 2 0 293.455 1.925 20 30 CDEDRP C#CC[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001161749773 938929492 /nfs/dbraw/zinc/92/94/92/938929492.db2.gz LTCQKTVCMNDYAM-UHFFFAOYSA-N 2 0 291.439 1.490 20 30 CDEDRP N#Cc1cc(Cl)nnc1NCCC[NH2+]CCCC[NH3+] ZINC001162290055 938971874 /nfs/dbraw/zinc/97/18/74/938971874.db2.gz GXKLMQBWAFKIRL-UHFFFAOYSA-N 2 0 282.779 1.132 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001163290436 939240402 /nfs/dbraw/zinc/24/04/02/939240402.db2.gz HAMYWZCHSUYPDA-UHFFFAOYSA-N 2 0 281.444 1.923 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001164513893 939482035 /nfs/dbraw/zinc/48/20/35/939482035.db2.gz KGHDCERPMXIYCH-OAHLLOKOSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001165316384 939544883 /nfs/dbraw/zinc/54/48/83/939544883.db2.gz YPZIXRKVZZYLKM-AWEZNQCLSA-N 2 0 297.418 1.176 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001165464849 939566490 /nfs/dbraw/zinc/56/64/90/939566490.db2.gz MUUJBNVTLWYEOZ-UHFFFAOYSA-N 2 0 293.455 1.923 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165777810 939577043 /nfs/dbraw/zinc/57/70/43/939577043.db2.gz YJGRLJOMJMAUOJ-CQSZACIVSA-N 2 0 281.444 1.779 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001165765066 939577114 /nfs/dbraw/zinc/57/71/14/939577114.db2.gz XOFPMOVEQWHNOY-OAHLLOKOSA-N 2 0 293.455 1.923 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203521338 939690949 /nfs/dbraw/zinc/69/09/49/939690949.db2.gz ITYBPIVLHIFUML-GJZGRUSLSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001204799175 939792153 /nfs/dbraw/zinc/79/21/53/939792153.db2.gz SEFZWSDKLGEGNH-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001205457674 939890889 /nfs/dbraw/zinc/89/08/89/939890889.db2.gz KGBCFQQJGDQALN-UHFFFAOYSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CCOc1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001205674003 939915990 /nfs/dbraw/zinc/91/59/90/939915990.db2.gz XHAYBWSKRZLCTN-QGZVFWFLSA-N 2 0 288.391 1.374 20 30 CDEDRP N#Cc1ccn2ncc(CN3CC[C@@H]([NH3+])[C@@H](F)CC3)c2c1 ZINC001206213456 939999522 /nfs/dbraw/zinc/99/95/22/939999522.db2.gz VIHVASUWSVHTLW-UONOGXRCSA-N 2 0 287.342 1.467 20 30 CDEDRP N#Cc1ccccc1N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207436509 940195676 /nfs/dbraw/zinc/19/56/76/940195676.db2.gz KZRIWFCQQMPIDA-UHFFFAOYSA-N 2 0 284.407 1.680 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563502 940215987 /nfs/dbraw/zinc/21/59/87/940215987.db2.gz XHKVEDWVOFOXAN-TZMCWYRMSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001208334517 940320402 /nfs/dbraw/zinc/32/04/02/940320402.db2.gz JGLOZLAYYBMQTI-LSDHHAIUSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001208571948 940341470 /nfs/dbraw/zinc/34/14/70/940341470.db2.gz UNKCLNRVLLJPTA-RBSFLKMASA-N 2 0 281.444 1.729 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001209631618 940620404 /nfs/dbraw/zinc/62/04/04/940620404.db2.gz FZTHSQUZMKSEHH-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211349658 940749162 /nfs/dbraw/zinc/74/91/62/940749162.db2.gz IUJUKSMCVFVTJD-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001214905042 940844294 /nfs/dbraw/zinc/84/42/94/940844294.db2.gz VSSFJUFVVQQWNJ-KFWWJZLASA-N 2 0 279.428 1.032 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001215518706 940892133 /nfs/dbraw/zinc/89/21/33/940892133.db2.gz KDFZTQJHPZUVRV-KFWWJZLASA-N 2 0 281.444 1.729 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215540596 940892825 /nfs/dbraw/zinc/89/28/25/940892825.db2.gz NJOABZSHQRNPMW-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@H]1C ZINC001215929632 940912933 /nfs/dbraw/zinc/91/29/33/940912933.db2.gz IUQGDMFJKWKWOU-UKRRQHHQSA-N 2 0 290.411 1.594 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001216979877 940972270 /nfs/dbraw/zinc/97/22/70/940972270.db2.gz CQVORSKWCBVOIL-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1sc(C)cc1C#N ZINC001218554543 941236039 /nfs/dbraw/zinc/23/60/39/941236039.db2.gz LBLLGCMEZWBIMW-NSHDSACASA-N 2 0 280.397 1.584 20 30 CDEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221883536 941554103 /nfs/dbraw/zinc/55/41/03/941554103.db2.gz JOPKWWPUGBTPMG-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001227980237 942251261 /nfs/dbraw/zinc/25/12/61/942251261.db2.gz PRMMUKSONFOKJG-OAHLLOKOSA-N 2 0 281.444 1.873 20 30 CDEDRP C[C@H](C#N)OCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000381068876 943895301 /nfs/dbraw/zinc/89/53/01/943895301.db2.gz AUOYTMOHMOAZCD-RDBSUJKOSA-N 2 0 251.374 1.331 20 30 CDEDRP C#CC[NH+]1CCC(OC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001263620726 943915943 /nfs/dbraw/zinc/91/59/43/943915943.db2.gz AYLYWFSLNNZGAR-OAHLLOKOSA-N 2 0 278.396 1.500 20 30 CDEDRP C=C(C)C(=O)NCCC[NH2+]C1CC[NH+](CCC)CC1 ZINC001258766520 945403317 /nfs/dbraw/zinc/40/33/17/945403317.db2.gz XGDYGJGCGABXGA-UHFFFAOYSA-N 2 0 267.417 1.533 20 30 CDEDRP C=C(C)C(=O)NCCC[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254499826 947458389 /nfs/dbraw/zinc/45/83/89/947458389.db2.gz BTRPMEIJSGSJLP-ZDUSSCGKSA-N 2 0 253.390 1.143 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)[C@@H]1CC[C@H](C#N)C1 ZINC001254671264 947586454 /nfs/dbraw/zinc/58/64/54/947586454.db2.gz QFJIPWTXEQSCED-JKSUJKDBSA-N 2 0 280.460 1.884 20 30 CDEDRP CC1(C#N)CCC([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001246139374 947982703 /nfs/dbraw/zinc/98/27/03/947982703.db2.gz CUPMZIRKKMDIPP-PCKAHOCUSA-N 2 0 290.455 1.923 20 30 CDEDRP C=C1C[C@@H]2CC([NH2+][C@@H]3[C@H]4C[NH2+]C[C@@H]3COC4)C[C@H](C1)C2 ZINC001246148977 947991520 /nfs/dbraw/zinc/99/15/20/947991520.db2.gz OYIYAAMWXHECKL-HQJVRCOQSA-N 2 0 276.424 1.945 20 30 CDEDRP C=CCOCC[N@H+]1CC[C@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001278437986 948050665 /nfs/dbraw/zinc/05/06/65/948050665.db2.gz MHFKTXNEZIUSAQ-HOCLYGCPSA-N 2 0 297.443 1.110 20 30 CDEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246417743 948165025 /nfs/dbraw/zinc/16/50/25/948165025.db2.gz OTDBTNFDDVAMHV-WFASDCNBSA-N 2 0 288.395 1.062 20 30 CDEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246556228 948266356 /nfs/dbraw/zinc/26/63/56/948266356.db2.gz DXMZSLOISMUMRC-YOEHRIQHSA-N 2 0 287.407 1.665 20 30 CDEDRP COC(=O)CC[N@H+](CCC[NH+](C)C)C1CCC(C#N)CC1 ZINC001256968224 948467368 /nfs/dbraw/zinc/46/73/68/948467368.db2.gz BWXLBLYNGPAKAY-UHFFFAOYSA-N 2 0 295.427 1.886 20 30 CDEDRP C=CCC[C@@H](C)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001246987595 948563079 /nfs/dbraw/zinc/56/30/79/948563079.db2.gz MRLHHZLBYGPCHZ-CABCVRRESA-N 2 0 253.434 1.957 20 30 CDEDRP CCCCCCCC[C@@H](O)C[NH2+]CCN1CC[NH+](C)CC1 ZINC001252131402 951155854 /nfs/dbraw/zinc/15/58/54/951155854.db2.gz NFJVEZFNQJRROM-QGZVFWFLSA-N 2 0 299.503 1.935 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]CC1CC[NH+](CC(C)C)CC1 ZINC001252492076 951362431 /nfs/dbraw/zinc/36/24/31/951362431.db2.gz ANMZKYQNVQJGFO-INIZCTEOSA-N 2 0 284.444 1.508 20 30 CDEDRP CC[NH+](CC)C[C@@H](O)C[NH2+]C12CCC(C#N)(CC1)CC2 ZINC001253208879 951807367 /nfs/dbraw/zinc/80/73/67/951807367.db2.gz UJAZQOCSHQISHG-FHERZECASA-N 2 0 279.428 1.895 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001371212276 972418772 /nfs/dbraw/zinc/41/87/72/972418772.db2.gz MCEPQHHYEFLJGY-LLVKDONJSA-N 2 0 273.808 1.318 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001369271734 959596604 /nfs/dbraw/zinc/59/66/04/959596604.db2.gz CTLAGZNFZUMLNI-NEPJUHHUSA-N 2 0 275.824 1.516 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001340061067 962716514 /nfs/dbraw/zinc/71/65/14/962716514.db2.gz HCKTWZFTUDNYSY-WCQYABFASA-N 2 0 251.374 1.023 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001341768945 963536608 /nfs/dbraw/zinc/53/66/08/963536608.db2.gz XHFZSWSEQCHVJD-AWEZNQCLSA-N 2 0 279.428 1.662 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC001342052123 963622025 /nfs/dbraw/zinc/62/20/25/963622025.db2.gz JENMRYYCMWANEV-AVGNSLFASA-N 2 0 255.406 1.670 20 30 CDEDRP C#CC[NH2+]CC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC001343444366 963986752 /nfs/dbraw/zinc/98/67/52/963986752.db2.gz GICVFDJTRVPYIS-UHFFFAOYSA-N 2 0 279.428 1.084 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC001343489917 964008174 /nfs/dbraw/zinc/00/81/74/964008174.db2.gz ZNOZOYFLJIFLJD-ZDEQEGDKSA-N 2 0 253.390 1.173 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001100678320 968933698 /nfs/dbraw/zinc/93/36/98/968933698.db2.gz HIOKBIZJTNBYKR-NFOMZHRRSA-N 2 0 279.428 1.389 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(CCC)C1CC[NH2+]CC1 ZINC001357326826 969571105 /nfs/dbraw/zinc/57/11/05/969571105.db2.gz OGTYONAHRIYWBN-CQSZACIVSA-N 2 0 267.417 1.661 20 30 CDEDRP C=C(Cl)CN(C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001496777960 973093483 /nfs/dbraw/zinc/09/34/83/973093483.db2.gz QJMCORBWWKKXCU-UHFFFAOYSA-N 2 0 287.835 1.471 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001376407777 974653226 /nfs/dbraw/zinc/65/32/26/974653226.db2.gz VKIKVCRYLVDCHU-HAQNSBGRSA-N 2 0 273.808 1.318 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133092238 1163568350 /nfs/dbraw/zinc/56/83/50/1163568350.db2.gz ZBKZTWFFOYCUIC-LSDHHAIUSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC001574902600 1171044051 /nfs/dbraw/zinc/04/40/51/1171044051.db2.gz DCYSLUPVZGPHAW-KGLIPLIRSA-N 2 0 267.417 1.661 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000236660947 342055405 /nfs/dbraw/zinc/05/54/05/342055405.db2.gz BDTBCGABUMCBDC-KRWDZBQOSA-N 2 0 299.418 1.640 20 30 CDEDRP N#Cc1cccc(C[NH+]2CCC(N[C@@H]3CCC[C@@H]3[NH3+])CC2)c1 ZINC000593323592 342788357 /nfs/dbraw/zinc/78/83/57/342788357.db2.gz QPNQBXVGCQVXFT-ZWKOTPCHSA-N 2 0 298.434 1.992 20 30 CDEDRP CNC(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)=[NH+]C ZINC000264105327 361919118 /nfs/dbraw/zinc/91/91/18/361919118.db2.gz PDKAWEFENXSOFE-OAHLLOKOSA-N 2 0 274.412 1.836 20 30 CDEDRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442846330 362095946 /nfs/dbraw/zinc/09/59/46/362095946.db2.gz YXBWVYUIHCNTMV-UONOGXRCSA-N 2 0 253.390 1.627 20 30 CDEDRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442781102 362089165 /nfs/dbraw/zinc/08/91/65/362089165.db2.gz LYGJFRDJMHNNKG-GJZGRUSLSA-N 2 0 264.417 1.296 20 30 CDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449548012 362756644 /nfs/dbraw/zinc/75/66/44/362756644.db2.gz KQUKFPLMCZDAEK-BARDWOONSA-N 2 0 250.386 1.936 20 30 CDEDRP C[C@H](C[NH2+]Cc1cccc(C#N)c1)CN1CC[NH+](C)CC1 ZINC000105439962 186057120 /nfs/dbraw/zinc/05/71/20/186057120.db2.gz ZSGRXKYJAFATJK-OAHLLOKOSA-N 2 0 286.423 1.531 20 30 CDEDRP CNC(=[NH2+])NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000264084383 362961315 /nfs/dbraw/zinc/96/13/15/362961315.db2.gz JHWRLHRRYDOACV-CHWSQXEVSA-N 2 0 290.411 1.330 20 30 CDEDRP COCCNC(=[NH2+])NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000264085703 362962874 /nfs/dbraw/zinc/96/28/74/362962874.db2.gz JPZQZQVLLPFFFF-LBPRGKRZSA-N 2 0 296.440 1.436 20 30 CDEDRP CC[NH+]=C(NCc1cccnc1-n1ccnc1)N[C@@H]1C[C@H]1C ZINC000176386310 366332797 /nfs/dbraw/zinc/33/27/97/366332797.db2.gz YTJPLCDYTDDTMT-TZMCWYRMSA-N 2 0 298.394 1.731 20 30 CDEDRP C=CCOCCC[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000348032484 359781228 /nfs/dbraw/zinc/78/12/28/359781228.db2.gz MDDLEHRKEXSMKO-INIZCTEOSA-N 2 0 281.444 1.291 20 30 CDEDRP CC#CCC[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000360451381 368298840 /nfs/dbraw/zinc/29/88/40/368298840.db2.gz ZYNHDABTSQRIKD-HNNXBMFYSA-N 2 0 252.402 1.833 20 30 CDEDRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000567608587 371062905 /nfs/dbraw/zinc/06/29/05/371062905.db2.gz CSEVNHBWNASPRE-OAHLLOKOSA-N 2 0 294.443 1.586 20 30 CDEDRP C[C@@H](C[NH2+]Cc1cc(C#N)cs1)CN1CC[NH+](C)CC1 ZINC000177696375 372109664 /nfs/dbraw/zinc/10/96/64/372109664.db2.gz VXWSPLUXKOOPBF-ZDUSSCGKSA-N 2 0 292.452 1.593 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)c2conc2C(C)(C)[NH3+])CC1 ZINC000580725530 372584624 /nfs/dbraw/zinc/58/46/24/372584624.db2.gz SWOGPAHZIPFIKW-UHFFFAOYSA-N 2 0 292.383 1.249 20 30 CDEDRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(C#N)s2)CC1(C)C ZINC000282464003 375087926 /nfs/dbraw/zinc/08/79/26/375087926.db2.gz UBWLAVKKJIKKPC-UHFFFAOYSA-N 2 0 292.452 1.735 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000247298479 377085850 /nfs/dbraw/zinc/08/58/50/377085850.db2.gz HSGSZCIMELVRMW-CABCVRRESA-N 2 0 254.418 1.977 20 30 CDEDRP C#Cc1ccc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000290517066 378381550 /nfs/dbraw/zinc/38/15/50/378381550.db2.gz XIUODPFJNAHOLR-OAHLLOKOSA-N 2 0 271.408 1.393 20 30 CDEDRP CNC(NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1)=[NH+]C ZINC000069736828 378662502 /nfs/dbraw/zinc/66/25/02/378662502.db2.gz OIEMIQQZXXSZME-OAHLLOKOSA-N 2 0 274.412 1.927 20 30 CDEDRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174351713 379458532 /nfs/dbraw/zinc/45/85/32/379458532.db2.gz BFOBSNFKCAUGOY-UHFFFAOYSA-N 2 0 290.411 1.514 20 30 CDEDRP C=CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363676091 390458630 /nfs/dbraw/zinc/45/86/30/390458630.db2.gz ZUIFKSDMXIZCQD-OKILXGFUSA-N 2 0 252.402 1.994 20 30 CDEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])Nc1ccccn1 ZINC000178566682 391187970 /nfs/dbraw/zinc/18/79/70/391187970.db2.gz CGELFHXFRGIFAU-LBPRGKRZSA-N 2 0 261.373 1.683 20 30 CDEDRP C[NH+](C)C1(CNC(=[NH2+])Nc2ccccc2)CCOCC1 ZINC000267428049 391194534 /nfs/dbraw/zinc/19/45/34/391194534.db2.gz LTZYXOHSKXNBBG-UHFFFAOYSA-N 2 0 276.384 1.524 20 30 CDEDRP C[C@@H](CCC#N)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000411411003 391449060 /nfs/dbraw/zinc/44/90/60/391449060.db2.gz UMOVQATYZAWGJT-AWEZNQCLSA-N 2 0 266.433 1.636 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCc2ccccc2OCC[NH+](C)C)N1 ZINC000262477780 391790460 /nfs/dbraw/zinc/79/04/60/391790460.db2.gz CJPPVHPNPKHDKE-GFCCVEGCSA-N 2 0 276.384 1.064 20 30 CDEDRP C[NH2+]CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423198338 397602259 /nfs/dbraw/zinc/60/22/59/397602259.db2.gz FHSGEBLXNABLEN-UHFFFAOYSA-N 2 0 286.423 1.722 20 30 CDEDRP CC#CCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000336827464 262398331 /nfs/dbraw/zinc/39/83/31/262398331.db2.gz SUULPNFYHSPFDH-UHFFFAOYSA-N 2 0 277.456 1.890 20 30 CDEDRP CCN(CC)C(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270580586 262989585 /nfs/dbraw/zinc/98/95/85/262989585.db2.gz QAPPFIBRNODREU-UHFFFAOYSA-N 2 0 293.415 1.179 20 30 CDEDRP C[C@H]1C[N@H+](CCCNC(=[NH2+])Nc2ccccn2)CCCO1 ZINC000277243204 263040463 /nfs/dbraw/zinc/04/04/63/263040463.db2.gz HLZFXDFYJPWACD-ZDUSSCGKSA-N 2 0 291.399 1.309 20 30 CDEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290787 423920995 /nfs/dbraw/zinc/92/09/95/423920995.db2.gz KKRJTRHPGLTKHN-ZFWWWQNUSA-N 2 0 279.428 1.389 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000563809268 328520605 /nfs/dbraw/zinc/52/06/05/328520605.db2.gz UTYGHPHYZXNLHW-CHWSQXEVSA-N 2 0 282.432 1.452 20 30 CDEDRP C=CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182976535 329245919 /nfs/dbraw/zinc/24/59/19/329245919.db2.gz ZRCBTUOKHHHRIX-UHFFFAOYSA-N 2 0 252.402 1.997 20 30 CDEDRP C=CCN1CC[C@H]([NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)C1=O ZINC000420323513 329762481 /nfs/dbraw/zinc/76/24/81/329762481.db2.gz YKAZRVBLYIZNHE-CABCVRRESA-N 2 0 277.412 1.095 20 30 CDEDRP C[NH+]=C(NC[C@H]1CCCS1)NCC1CC[NH+](C)CC1 ZINC000261656896 329974923 /nfs/dbraw/zinc/97/49/23/329974923.db2.gz AGEMEPRTOAPXDQ-CYBMUJFWSA-N 2 0 284.473 1.389 20 30 CDEDRP CC(C)(C)[NH2+]CCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000262509991 330018809 /nfs/dbraw/zinc/01/88/09/330018809.db2.gz CTJBBTIUGQEOEY-ZDUSSCGKSA-N 2 0 290.411 1.803 20 30 CDEDRP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1CCCCC1 ZINC000424131741 330264002 /nfs/dbraw/zinc/26/40/02/330264002.db2.gz JQZRQDWXPGWEEC-GJZGRUSLSA-N 2 0 294.443 1.634 20 30 CDEDRP C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C2(CCCCC2)C1 ZINC000424153411 330299951 /nfs/dbraw/zinc/29/99/51/330299951.db2.gz KZHJEEZSXZJIAQ-CQSZACIVSA-N 2 0 292.427 1.484 20 30 CDEDRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000447543645 330869322 /nfs/dbraw/zinc/86/93/22/330869322.db2.gz RTLKTQHLUQCEOD-STQMWFEESA-N 2 0 251.374 1.115 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(CCC)CCC[NH+](C)C)CC1 ZINC000490740768 332111257 /nfs/dbraw/zinc/11/12/57/332111257.db2.gz QSOFYBXEOSWRFB-UHFFFAOYSA-N 2 0 293.455 1.522 20 30 CDEDRP C#CCN(C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000491209482 332166323 /nfs/dbraw/zinc/16/63/23/332166323.db2.gz HVDBBORGSLXGFH-OAGGEKHMSA-N 2 0 263.429 1.404 20 30 CDEDRP C#CC[NH+](C)CCCNC(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000491643443 332262274 /nfs/dbraw/zinc/26/22/74/332262274.db2.gz FTSNMNDSVNYPSW-HUUCEWRRSA-N 2 0 294.443 1.066 20 30 CDEDRP C#CCNC(=O)CC[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000491669206 332276754 /nfs/dbraw/zinc/27/67/54/332276754.db2.gz NNZNRTANTLNVBU-OAHLLOKOSA-N 2 0 279.428 1.084 20 30 CDEDRP C=CCC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001754447397 1159213697 /nfs/dbraw/zinc/21/36/97/1159213697.db2.gz DSMOGSIYGKZXSM-HNNXBMFYSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089559480 1161219915 /nfs/dbraw/zinc/21/99/15/1161219915.db2.gz PKXBPBXOFFMAGK-CABCVRRESA-N 2 0 293.455 1.731 20 30 CDEDRP N#C[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000192838389 534748388 /nfs/dbraw/zinc/74/83/88/534748388.db2.gz RZYNEZRZHNIBJO-LSDHHAIUSA-N 2 0 265.401 1.363 20 30 CDEDRP [NH2+]=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC1CC1 ZINC000058329438 526800345 /nfs/dbraw/zinc/80/03/45/526800345.db2.gz WDMLHOUSGOKCBG-UHFFFAOYSA-N 2 0 272.396 1.849 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000773831477 575840182 /nfs/dbraw/zinc/84/01/82/575840182.db2.gz VXFAQWXDEAFQNN-UHFFFAOYSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942596406 613017278 /nfs/dbraw/zinc/01/72/78/613017278.db2.gz AAPLJOQNXKZMFH-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC000960838211 613045897 /nfs/dbraw/zinc/04/58/97/613045897.db2.gz NGKFOGMREQSKGW-ZSHCYNCHSA-N 2 0 294.358 1.018 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000948554536 613162026 /nfs/dbraw/zinc/16/20/26/613162026.db2.gz XDYXKQZUDUSECG-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC000947551145 613236294 /nfs/dbraw/zinc/23/62/94/613236294.db2.gz GFHMPVMVAHFTOQ-UKRRQHHQSA-N 2 0 296.374 1.550 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000948855138 613257668 /nfs/dbraw/zinc/25/76/68/613257668.db2.gz YQXRLWJLZFMVOT-INIZCTEOSA-N 2 0 293.455 1.971 20 30 CDEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000969652387 613298803 /nfs/dbraw/zinc/29/88/03/613298803.db2.gz FCZVEJOBFIMERK-ZBFHGGJFSA-N 2 0 293.455 1.872 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942597716 613334900 /nfs/dbraw/zinc/33/49/00/613334900.db2.gz MMYLXELIVZUQRJ-HOCLYGCPSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000969170307 613348641 /nfs/dbraw/zinc/34/86/41/613348641.db2.gz PAQMSMRFQVFHBX-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968149884 613590644 /nfs/dbraw/zinc/59/06/44/613590644.db2.gz GFKHDJHNUYXRHJ-HOCLYGCPSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968332396 613767103 /nfs/dbraw/zinc/76/71/03/613767103.db2.gz WCRBECAOTPJCEN-GJZGRUSLSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967265873 613769609 /nfs/dbraw/zinc/76/96/09/613769609.db2.gz XVNVTUDWCUEVBI-BBRMVZONSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942257169 613780083 /nfs/dbraw/zinc/78/00/83/613780083.db2.gz KLCPOSKXCVIPMM-CABCVRRESA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000960171882 613839220 /nfs/dbraw/zinc/83/92/20/613839220.db2.gz CKWHEHZUULINOR-LJISPDSOSA-N 2 0 277.412 1.093 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970177325 613865210 /nfs/dbraw/zinc/86/52/10/613865210.db2.gz SADCCMQRICFTTD-HUUCEWRRSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000969723385 613865466 /nfs/dbraw/zinc/86/54/66/613865466.db2.gz XNZBRXSWVUTMAI-MELADBBJSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000969349542 613866796 /nfs/dbraw/zinc/86/67/96/613866796.db2.gz IKESILQAEIJCBO-CYBMUJFWSA-N 2 0 270.336 1.324 20 30 CDEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]CC#Cc1ccccc1 ZINC000893660681 617811155 /nfs/dbraw/zinc/81/11/55/617811155.db2.gz COINCBWMAKDIAU-QGZVFWFLSA-N 2 0 285.435 1.654 20 30 CDEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]CC#Cc2ccccc2)CC1 ZINC000892927990 617913348 /nfs/dbraw/zinc/91/33/48/617913348.db2.gz JREUZBABSWLDHO-GOSISDBHSA-N 2 0 299.462 1.901 20 30 CDEDRP C[C@H](CC(C)(C)C#N)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000924967050 618483703 /nfs/dbraw/zinc/48/37/03/618483703.db2.gz WAJITRRFYWPBDK-ZIAGYGMSSA-N 2 0 294.443 1.492 20 30 CDEDRP C#CCN1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903218573 625914327 /nfs/dbraw/zinc/91/43/27/625914327.db2.gz DRHZEZWVIUPIKV-UNPWZGGWSA-N 2 0 287.451 1.831 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000911811649 629543901 /nfs/dbraw/zinc/54/39/01/629543901.db2.gz UVEKSLVOYRNHBV-HNNXBMFYSA-N 2 0 273.380 1.954 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000911825994 629554097 /nfs/dbraw/zinc/55/40/97/629554097.db2.gz PLNJVLAPKFNYNC-AGIUHOORSA-N 2 0 253.390 1.256 20 30 CDEDRP CC[N@H+](C)[C@H](C(=O)NCC#CC[NH+](C)C)c1ccccc1 ZINC000913518456 630522916 /nfs/dbraw/zinc/52/29/16/630522916.db2.gz QEAKNMSXYUZDIN-INIZCTEOSA-N 2 0 287.407 1.361 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130297218 1162597269 /nfs/dbraw/zinc/59/72/69/1162597269.db2.gz IZPZDXIMIPBRDH-KGLIPLIRSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@H]1CCc2nc(C)[nH]c2C1 ZINC001130490712 1162637958 /nfs/dbraw/zinc/63/79/58/1162637958.db2.gz GENFODIEDHEVHE-LBPRGKRZSA-N 2 0 276.384 1.105 20 30 CDEDRP C=CC[NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001131794335 1163049796 /nfs/dbraw/zinc/04/97/96/1163049796.db2.gz UNLNSXYLKNTZPA-UHFFFAOYSA-N 2 0 267.417 1.390 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001113292356 1162147809 /nfs/dbraw/zinc/14/78/09/1162147809.db2.gz UTTBLYHBDOPIJY-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132266090 1163219234 /nfs/dbraw/zinc/21/92/34/1163219234.db2.gz VREUXSQVUFQVSO-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C[NH+](C)CCCC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001133040492 1163541440 /nfs/dbraw/zinc/54/14/40/1163541440.db2.gz SZSDMNMMAWSPBP-UHFFFAOYSA-N 2 0 288.395 1.106 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001215977099 1167369609 /nfs/dbraw/zinc/36/96/09/1167369609.db2.gz FJLABHDZCAORHV-OAGGEKHMSA-N 2 0 295.471 1.975 20 30 CDEDRP C#CC[C@@]1(C(=O)N2CCC(CC[NH+](C)C)CC2)CCC[NH2+]1 ZINC001574517323 1170991006 /nfs/dbraw/zinc/99/10/06/1170991006.db2.gz MFNYFWYWYSVDPT-KRWDZBQOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC001574836800 1171021364 /nfs/dbraw/zinc/02/13/64/1171021364.db2.gz UHWQWZTYNNYXEY-DZGCQCFKSA-N 2 0 279.428 1.661 20 30 CDEDRP C=CC1(CC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)C[NH2+]C1 ZINC001574879427 1171034685 /nfs/dbraw/zinc/03/46/85/1171034685.db2.gz DEZHTSWTYLNLMW-GFCCVEGCSA-N 2 0 265.401 1.141 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001690616759 1175524044 /nfs/dbraw/zinc/52/40/44/1175524044.db2.gz OTOOTWXFWKITEF-NSHDSACASA-N 2 0 261.797 1.175 20 30 CDEDRP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001692368985 1175751931 /nfs/dbraw/zinc/75/19/31/1175751931.db2.gz OMOAGMQGWZEHKD-JYJNAYRXSA-N 2 0 291.439 1.722 20 30 CDEDRP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001732889267 1183173070 /nfs/dbraw/zinc/17/30/70/1183173070.db2.gz NSVZBRMVXMGDFJ-GJBLVYBDSA-N 2 0 265.401 1.309 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+](C)CCC)C1 ZINC001753462311 1184545410 /nfs/dbraw/zinc/54/54/10/1184545410.db2.gz VTBNCGNPYRFUCM-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001752158191 1184828314 /nfs/dbraw/zinc/82/83/14/1184828314.db2.gz UNTCOADXCGZOIZ-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC001753301340 1185148251 /nfs/dbraw/zinc/14/82/51/1185148251.db2.gz GQOBBODMBSWKHA-WBVHZDCISA-N 2 0 299.418 1.409 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001753437046 1185205776 /nfs/dbraw/zinc/20/57/76/1185205776.db2.gz RICOCOYAVDIONG-HUUCEWRRSA-N 2 0 299.434 1.775 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001753548368 1185252937 /nfs/dbraw/zinc/25/29/37/1185252937.db2.gz NSWGBTYIQRVHCO-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001753694823 1185305033 /nfs/dbraw/zinc/30/50/33/1185305033.db2.gz HGAPWVXGCSAXBM-HOCLYGCPSA-N 2 0 291.439 1.463 20 30 CDEDRP CC#CC[NH2+]CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001754379926 1185603179 /nfs/dbraw/zinc/60/31/79/1185603179.db2.gz JOGWQNHZPZVKBR-UHFFFAOYSA-N 2 0 291.439 1.324 20 30 CDEDRP C#CC[NH2+]CCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001754401437 1185608287 /nfs/dbraw/zinc/60/82/87/1185608287.db2.gz XNLNYVVKDMZRDG-HNNXBMFYSA-N 2 0 279.428 1.322 20 30 CDEDRP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001754711233 1185712351 /nfs/dbraw/zinc/71/23/51/1185712351.db2.gz WYGRCPQKHNVCPC-KRWDZBQOSA-N 2 0 293.455 1.570 20 30 CDEDRP C#CC[NH+]1CCC[C@](C)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001754730033 1185715831 /nfs/dbraw/zinc/71/58/31/1185715831.db2.gz BSLATDSNKZESSF-DOTOQJQBSA-N 2 0 291.439 1.180 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001754817981 1185739025 /nfs/dbraw/zinc/73/90/25/1185739025.db2.gz OUONUFHEHCDDRZ-LSDHHAIUSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001754828799 1185742433 /nfs/dbraw/zinc/74/24/33/1185742433.db2.gz QYTVFMJADCQSTQ-JKSUJKDBSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CC[NH2+]C1(C)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001755135269 1185827176 /nfs/dbraw/zinc/82/71/76/1185827176.db2.gz JBVSYFROOPHJDI-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C1 ZINC001755415104 1185945315 /nfs/dbraw/zinc/94/53/15/1185945315.db2.gz FOHHLPQYWZCYHY-AWEZNQCLSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CCC[N@@H+](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001755533041 1185981415 /nfs/dbraw/zinc/98/14/15/1185981415.db2.gz GISTUDHDQXGXSE-UHFFFAOYSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001755594196 1186005703 /nfs/dbraw/zinc/00/57/03/1186005703.db2.gz NDACJZWLNWJLQT-LSDHHAIUSA-N 2 0 281.444 1.729 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC(CC[NH3+])CC1 ZINC001340556430 963002804 /nfs/dbraw/zinc/00/28/04/963002804.db2.gz HSOXPRYKLQJWST-ZDUSSCGKSA-N 2 0 253.390 1.257 20 30 CDEDRP C[C@H]1CNC(NN=C[C@@](C)(C[NH+](C)C)c2ccccc2)=[NH+]1 ZINC000834971025 777833582 /nfs/dbraw/zinc/83/35/82/777833582.db2.gz TUIFXAFSOOUOII-BBRMVZONSA-N 2 0 287.411 1.429 20 30 CDEDRP [NH2+]=C(NCCc1ccccc1)NCC[NH+]1CCCCC1 ZINC000303771156 773796421 /nfs/dbraw/zinc/79/64/21/773796421.db2.gz CLEOASDAJNHRHZ-UHFFFAOYSA-N 2 0 274.412 1.619 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995981797 773813725 /nfs/dbraw/zinc/81/37/25/773813725.db2.gz NWGMQHJDEIZQJX-KGLIPLIRSA-N 2 0 279.428 1.483 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001028692919 773920977 /nfs/dbraw/zinc/92/09/77/773920977.db2.gz DNHPAJBOQJEKSY-AWEZNQCLSA-N 2 0 296.374 1.409 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000804523217 774032461 /nfs/dbraw/zinc/03/24/61/774032461.db2.gz MXQRMLXVGUGDHX-KBPBESRZSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001045640449 774112303 /nfs/dbraw/zinc/11/23/03/774112303.db2.gz RVTOPOIBLFNVMT-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C[C@H](CNC(=[NH2+])N1CCCCCC1)C[NH+]1CCN(C)CC1 ZINC000305052829 774285546 /nfs/dbraw/zinc/28/55/46/774285546.db2.gz ICQQTINYAUSSGL-OAHLLOKOSA-N 2 0 295.475 1.061 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001000992613 774359538 /nfs/dbraw/zinc/35/95/38/774359538.db2.gz NIVLGZONTRDNFI-QGZVFWFLSA-N 2 0 299.418 1.576 20 30 CDEDRP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001052561950 774751165 /nfs/dbraw/zinc/75/11/65/774751165.db2.gz GEGFWLOIXBJNGR-HNNXBMFYSA-N 2 0 296.374 1.552 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1cnc[nH]1 ZINC001049751623 774800815 /nfs/dbraw/zinc/80/08/15/774800815.db2.gz YPRCUXCEFACNGF-HUUCEWRRSA-N 2 0 286.379 1.041 20 30 CDEDRP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034526599 775019740 /nfs/dbraw/zinc/01/97/40/775019740.db2.gz ZOZSZTXLJVEAHE-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000924967240 775034804 /nfs/dbraw/zinc/03/48/04/775034804.db2.gz VVSWBKKINMNMTH-HNNXBMFYSA-N 2 0 280.460 1.932 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038924665 775404461 /nfs/dbraw/zinc/40/44/61/775404461.db2.gz FAHFQSOQTONNTD-CQSZACIVSA-N 2 0 277.412 1.239 20 30 CDEDRP CC(C)CNC(=[NH2+])NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000261993874 775411956 /nfs/dbraw/zinc/41/19/56/775411956.db2.gz NDTNVBDGYOMQGZ-STQMWFEESA-N 2 0 254.422 1.667 20 30 CDEDRP NC(=[NH2+])N=NC1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000834939265 775943470 /nfs/dbraw/zinc/94/34/70/775943470.db2.gz WSOKGVFGTQDKNV-HIFRSBDPSA-N 2 0 285.395 1.900 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001000530041 776183532 /nfs/dbraw/zinc/18/35/32/776183532.db2.gz DEAHHYMQWPUBCP-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001001464002 776287989 /nfs/dbraw/zinc/28/79/89/776287989.db2.gz SWQJXPZCEMETTL-INIZCTEOSA-N 2 0 291.439 1.795 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014708398 776351576 /nfs/dbraw/zinc/35/15/76/776351576.db2.gz XEEDIGFDPLBTAL-HZPDHXFCSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001031765749 776548303 /nfs/dbraw/zinc/54/83/03/776548303.db2.gz NVYIVBCONUGLGS-JKSUJKDBSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027960805 776583964 /nfs/dbraw/zinc/58/39/64/776583964.db2.gz DXXDTVUDFYZAGN-HNNXBMFYSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999373488 776712898 /nfs/dbraw/zinc/71/28/98/776712898.db2.gz QHIZNWXTUWEWCI-KGLIPLIRSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001003776104 776803461 /nfs/dbraw/zinc/80/34/61/776803461.db2.gz IIEBZQCGSASGQO-HZPDHXFCSA-N 2 0 291.439 1.770 20 30 CDEDRP C=CCNC(=O)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925979519 776828373 /nfs/dbraw/zinc/82/83/73/776828373.db2.gz NZFJCQHSMQXHOI-CYBMUJFWSA-N 2 0 275.396 1.701 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001003251158 776896446 /nfs/dbraw/zinc/89/64/46/776896446.db2.gz PYYKQSNDSDHNRB-UHFFFAOYSA-N 2 0 296.374 1.552 20 30 CDEDRP C[C@H](CNC(=[NH2+])N1CCCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000303909330 776917174 /nfs/dbraw/zinc/91/71/74/776917174.db2.gz YCRIRHOAMQSAPV-UONOGXRCSA-N 2 0 266.433 1.907 20 30 CDEDRP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001026494762 777182982 /nfs/dbraw/zinc/18/29/82/777182982.db2.gz FQHRNQLZZMBHJJ-UYSNPLJNSA-N 2 0 291.439 1.531 20 30 CDEDRP C#CCOCC[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000851798117 777272014 /nfs/dbraw/zinc/27/20/14/777272014.db2.gz JMVXBANZXDYPJM-OAHLLOKOSA-N 2 0 268.401 1.069 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001028580419 777440721 /nfs/dbraw/zinc/44/07/21/777440721.db2.gz VYEPWLYLKTZMBT-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000999877073 777442766 /nfs/dbraw/zinc/44/27/66/777442766.db2.gz YELOERFJWMAHJD-YMAMQOFZSA-N 2 0 279.428 1.626 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)SC ZINC000130688308 777588405 /nfs/dbraw/zinc/58/84/05/777588405.db2.gz DBTDTWONIPRVOZ-MNOVXSKESA-N 2 0 258.435 1.127 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995552744 777642993 /nfs/dbraw/zinc/64/29/93/777642993.db2.gz RQGJDLLHNNRZKA-CHWSQXEVSA-N 2 0 299.846 1.660 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000987126445 777748381 /nfs/dbraw/zinc/74/83/81/777748381.db2.gz VSALQDLRPFIYNR-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP CN(C)C(NCc1ccccc1)=[NH+]CC[NH+]1CCCC1 ZINC000170907908 777778596 /nfs/dbraw/zinc/77/85/96/777778596.db2.gz LTGCJMMRTKGUOC-UHFFFAOYSA-N 2 0 274.412 1.790 20 30 CDEDRP C#CC[NH2+]C1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001026522202 777842533 /nfs/dbraw/zinc/84/25/33/777842533.db2.gz VEDQAERCXKCIEI-UHFFFAOYSA-N 2 0 289.423 1.265 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001020149908 777848611 /nfs/dbraw/zinc/84/86/11/777848611.db2.gz GYMLJQNWPDLDQW-FPCVCCKLSA-N 2 0 291.439 1.674 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033928172 777860272 /nfs/dbraw/zinc/86/02/72/777860272.db2.gz WJCAUTZGBBAMDB-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001019820570 778058176 /nfs/dbraw/zinc/05/81/76/778058176.db2.gz PJCWWOQFDZNYMK-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001018968185 778085322 /nfs/dbraw/zinc/08/53/22/778085322.db2.gz XDJSILYEQRSKKK-GOEBONIOSA-N 2 0 291.439 1.770 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999409382 778516773 /nfs/dbraw/zinc/51/67/73/778516773.db2.gz XPLGYEOUXHKKCW-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001022957425 778593843 /nfs/dbraw/zinc/59/38/43/778593843.db2.gz XNIGDTGZQBYGSX-XHSDSOJGSA-N 2 0 291.439 1.511 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001003491436 778690817 /nfs/dbraw/zinc/69/08/17/778690817.db2.gz DWIMQAZAFFWGJQ-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+]C1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001026593223 778714575 /nfs/dbraw/zinc/71/45/75/778714575.db2.gz GPBITNFTIQVVFW-UHFFFAOYSA-N 2 0 277.412 1.285 20 30 CDEDRP CC(=NNC1=[NH+]CCN1)c1cccc(C[NH+](C)C)c1 ZINC000841658829 778717897 /nfs/dbraw/zinc/71/78/97/778717897.db2.gz DJTAOGLORDVJFB-UHFFFAOYSA-N 2 0 259.357 1.021 20 30 CDEDRP C=CC[N@H+]1C[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC001048918389 778720850 /nfs/dbraw/zinc/72/08/50/778720850.db2.gz CEAXZJUNPVWNQA-GASCZTMLSA-N 2 0 289.423 1.191 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303902107 778764418 /nfs/dbraw/zinc/76/44/18/778764418.db2.gz SYQQIYZGEHGQPR-ZNMIVQPWSA-N 2 0 298.475 1.684 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009198786 778823859 /nfs/dbraw/zinc/82/38/59/778823859.db2.gz CXXMFBRBFKJEIN-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CCCCO1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261963879 778830221 /nfs/dbraw/zinc/83/02/21/778830221.db2.gz KZYRFOBVEGZJMO-VHDGCEQUSA-N 2 0 294.443 1.203 20 30 CDEDRP CC(C)CNC(=[NH2+])NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000303895134 778905452 /nfs/dbraw/zinc/90/54/52/778905452.db2.gz SZIDNTGBZHQCGD-ZDUSSCGKSA-N 2 0 254.422 1.667 20 30 CDEDRP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001041142197 778933713 /nfs/dbraw/zinc/93/37/13/778933713.db2.gz VAAQWFZLIIZWIT-DOTOQJQBSA-N 2 0 289.423 1.028 20 30 CDEDRP CCC(CC)[C@@H](C[NH+]=C(N(C)C)N(C)C)[NH+](C)C ZINC000303784835 778948989 /nfs/dbraw/zinc/94/89/89/778948989.db2.gz PTNTVHZSHJMLME-CYBMUJFWSA-N 2 0 256.438 1.832 20 30 CDEDRP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001049526155 779024208 /nfs/dbraw/zinc/02/42/08/779024208.db2.gz TXQDCXCHTWZLAF-ARFHVFGLSA-N 2 0 289.423 1.025 20 30 CDEDRP C[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)[NH+]1CCC(C)CC1 ZINC000261699442 779084163 /nfs/dbraw/zinc/08/41/63/779084163.db2.gz CHKNUOQBRJVRBD-UONOGXRCSA-N 2 0 282.432 1.190 20 30 CDEDRP CC(C)C[C@@H](C[NH+]=C(N(C)C)N(C)C)[NH+]1CCCC1 ZINC000104160631 779085385 /nfs/dbraw/zinc/08/53/85/779085385.db2.gz DSGNVFKXAPPFPC-AWEZNQCLSA-N 2 0 268.449 1.976 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023750405 779125221 /nfs/dbraw/zinc/12/52/21/779125221.db2.gz LUSYDHXUIZJICQ-CVEARBPZSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000861574525 779246978 /nfs/dbraw/zinc/24/69/78/779246978.db2.gz UVJDKDNFTIUUPS-LBPRGKRZSA-N 2 0 268.405 1.016 20 30 CDEDRP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034487605 779315930 /nfs/dbraw/zinc/31/59/30/779315930.db2.gz PGNFKXMZCCZYPG-OAHLLOKOSA-N 2 0 291.439 1.629 20 30 CDEDRP C#CC[NH+](C)CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926489838 779326039 /nfs/dbraw/zinc/32/60/39/779326039.db2.gz KHFKIYOTOLTFST-ALOPSCKCSA-N 2 0 293.455 1.173 20 30 CDEDRP C[C@H](CNC(=[NH2+])NCC1CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000261979136 779375315 /nfs/dbraw/zinc/37/53/15/779375315.db2.gz HFPCKEBIPVOMRW-CHWSQXEVSA-N 2 0 266.433 1.811 20 30 CDEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035851426 779379522 /nfs/dbraw/zinc/37/95/22/779379522.db2.gz GDIAELLJTJUGAD-HNNXBMFYSA-N 2 0 291.439 1.439 20 30 CDEDRP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052378458 779410838 /nfs/dbraw/zinc/41/08/38/779410838.db2.gz VTYXOBXNJAWAJC-JKSUJKDBSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046330635 779518526 /nfs/dbraw/zinc/51/85/26/779518526.db2.gz OYBPWJKYDOBFQB-ZMSDIMECSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001014959434 779644160 /nfs/dbraw/zinc/64/41/60/779644160.db2.gz BRPVBTSVCXWXOS-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001049065322 779860464 /nfs/dbraw/zinc/86/04/64/779860464.db2.gz RFOWPAFBTFSZAF-XHSDSOJGSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033426778 779967366 /nfs/dbraw/zinc/96/73/66/779967366.db2.gz VATKHYVFYKUARD-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001046611417 780080394 /nfs/dbraw/zinc/08/03/94/780080394.db2.gz FDNDHPJBWNPUQW-WBMJQRKESA-N 2 0 286.379 1.043 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000997094847 780105408 /nfs/dbraw/zinc/10/54/08/780105408.db2.gz VZLPDNQPBSZTTH-HOTGVXAUSA-N 2 0 291.439 1.770 20 30 CDEDRP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046373584 780119703 /nfs/dbraw/zinc/11/97/03/780119703.db2.gz BHNKHXAGXXLYLJ-DOTOQJQBSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001088939442 912335922 /nfs/dbraw/zinc/33/59/22/912335922.db2.gz QOFNBFNKBAWSQU-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001088983984 912440570 /nfs/dbraw/zinc/44/05/70/912440570.db2.gz ZPMPVXMACFXMJO-CABCVRRESA-N 2 0 291.439 1.627 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106281988 913787601 /nfs/dbraw/zinc/78/76/01/913787601.db2.gz OCQBRZAEBUFVIN-OAGGEKHMSA-N 2 0 293.455 1.280 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176327730 914053486 /nfs/dbraw/zinc/05/34/86/914053486.db2.gz JPQSHRUIDPEBBB-UHFFFAOYSA-N 2 0 279.428 1.372 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106599187 914054046 /nfs/dbraw/zinc/05/40/46/914054046.db2.gz CCUXWAWZNUAASK-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176931301 914363535 /nfs/dbraw/zinc/36/35/35/914363535.db2.gz ZQTULKSLEUFPQS-UHFFFAOYSA-N 2 0 253.390 1.144 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176986868 914414689 /nfs/dbraw/zinc/41/46/89/914414689.db2.gz XJDKYHDXCWCGNB-OAHLLOKOSA-N 2 0 281.444 1.923 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088200116 906437084 /nfs/dbraw/zinc/43/70/84/906437084.db2.gz QFHIJMHNKINKDM-OAGGEKHMSA-N 2 0 291.439 1.295 20 30 CDEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001088278094 906780405 /nfs/dbraw/zinc/78/04/05/906780405.db2.gz OPVNGGANQCUPPS-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001088414319 907130535 /nfs/dbraw/zinc/13/05/35/907130535.db2.gz COCOUPMUGWDWHP-HNNXBMFYSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189135940 921332799 /nfs/dbraw/zinc/33/27/99/921332799.db2.gz SXEOHTYNMFBCEW-LSDHHAIUSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000989524883 908928044 /nfs/dbraw/zinc/92/80/44/908928044.db2.gz ZMFMBYUPFZOZDQ-UKRRQHHQSA-N 2 0 279.428 1.483 20 30 CDEDRP C[NH+](C)C1CCC(NC2(C#N)CC[NH+](C)CC2)CC1 ZINC001168312341 908974338 /nfs/dbraw/zinc/97/43/38/908974338.db2.gz QXOASBRDINOXAM-UHFFFAOYSA-N 2 0 264.417 1.437 20 30 CDEDRP C=CCN1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1=O ZINC001172114248 911290943 /nfs/dbraw/zinc/29/09/43/911290943.db2.gz MMICWSVZYDMOTR-LVQVYYBASA-N 2 0 291.439 1.768 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H]1C ZINC001088857199 911970229 /nfs/dbraw/zinc/97/02/29/911970229.db2.gz FTWBYEMQAAEYQN-MCIONIFRSA-N 2 0 265.401 1.236 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001088859642 911984959 /nfs/dbraw/zinc/98/49/59/911984959.db2.gz IGADYIKDLWLRIH-KFWWJZLASA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001178985646 915719506 /nfs/dbraw/zinc/71/95/06/915719506.db2.gz RWFLVBIGAFOMAO-MELADBBJSA-N 2 0 267.417 1.482 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC001179409586 915837866 /nfs/dbraw/zinc/83/78/66/915837866.db2.gz OGRRRFSCSMKKPT-VGWMRTNUSA-N 2 0 293.455 1.872 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001180060952 916139298 /nfs/dbraw/zinc/13/92/98/916139298.db2.gz VRUWYUXOJRKJKV-OAHLLOKOSA-N 2 0 279.428 1.228 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180138538 916151076 /nfs/dbraw/zinc/15/10/76/916151076.db2.gz HUDNYDBOCJKMCM-ZNMIVQPWSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000996711658 918380568 /nfs/dbraw/zinc/38/05/68/918380568.db2.gz KEOJMVYTWZZPEN-HZPDHXFCSA-N 2 0 291.439 1.770 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001183399521 918472413 /nfs/dbraw/zinc/47/24/13/918472413.db2.gz ZCORPRCROVHJQJ-GDBMZVCRSA-N 2 0 279.428 1.342 20 30 CDEDRP C#CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646858 918552455 /nfs/dbraw/zinc/55/24/55/918552455.db2.gz ZEEXSJAUXTYNJH-NVXWUHKLSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001186427357 920027286 /nfs/dbraw/zinc/02/72/86/920027286.db2.gz FHCDKSAVOMVPCP-CVEARBPZSA-N 2 0 293.455 1.567 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001078812476 920473602 /nfs/dbraw/zinc/47/36/02/920473602.db2.gz LACXQNUDEDWFFV-ZIAGYGMSSA-N 2 0 277.412 1.285 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001202983739 936659028 /nfs/dbraw/zinc/65/90/28/936659028.db2.gz OKWSGKZIUTUSPL-MRXNPFEDSA-N 2 0 293.455 1.567 20 30 CDEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001190084828 921834598 /nfs/dbraw/zinc/83/45/98/921834598.db2.gz SOZRBUHOOXKAGM-CVEARBPZSA-N 2 0 293.455 1.968 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193461142 923693846 /nfs/dbraw/zinc/69/38/46/923693846.db2.gz FRAZYXHEUAEVPW-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193489264 923726032 /nfs/dbraw/zinc/72/60/32/923726032.db2.gz VKXYCKMUVPWCGB-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001082558517 924958210 /nfs/dbraw/zinc/95/82/10/924958210.db2.gz VQRKSZXSJTYHTL-BZUAXINKSA-N 2 0 291.439 1.319 20 30 CDEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001198097635 925325177 /nfs/dbraw/zinc/32/51/77/925325177.db2.gz FIYXFIDVUJOAIO-INIZCTEOSA-N 2 0 293.455 1.971 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001084660529 925335400 /nfs/dbraw/zinc/33/54/00/925335400.db2.gz KDYOTRMGVMQOLW-ARFHVFGLSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001085203480 925797615 /nfs/dbraw/zinc/79/76/15/925797615.db2.gz LWBVRITWWZXMNC-ZJIFWQFVSA-N 2 0 293.455 1.920 20 30 CDEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294357 937050547 /nfs/dbraw/zinc/05/05/47/937050547.db2.gz UXZQNBAZRPTIDO-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001085779306 926388007 /nfs/dbraw/zinc/38/80/07/926388007.db2.gz RSMAVLWFAVBTRJ-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001202206874 926495557 /nfs/dbraw/zinc/49/55/57/926495557.db2.gz GUXJZKRBSALHNY-UHFFFAOYSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085968790 926553375 /nfs/dbraw/zinc/55/33/75/926553375.db2.gz POEDHXOLHBDVMY-UONOGXRCSA-N 2 0 265.401 1.047 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086413442 927093929 /nfs/dbraw/zinc/09/39/29/927093929.db2.gz IDGLBTCKOROOHZ-JYJNAYRXSA-N 2 0 291.439 1.224 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001086428824 927120622 /nfs/dbraw/zinc/12/06/22/927120622.db2.gz KVFRDEZCDRTWBG-MQMHXKEQSA-N 2 0 284.363 1.618 20 30 CDEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=[NH2+])c1ccc(C#N)cc1)C2 ZINC001169092194 927720996 /nfs/dbraw/zinc/72/09/96/927720996.db2.gz ZPZYUKOIBSGEKB-QDMKHBRRSA-N 2 0 268.364 1.889 20 30 CDEDRP C=CCOCc1nn(C2CC[NH+](CC)CC2)c2c1C[NH2+]C2 ZINC001169249182 927890556 /nfs/dbraw/zinc/89/05/56/927890556.db2.gz DQTVTEUWKUGJLA-UHFFFAOYSA-N 2 0 290.411 1.846 20 30 CDEDRP C=CCC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001150796638 937250155 /nfs/dbraw/zinc/25/01/55/937250155.db2.gz WTCQWHVBZMIHDM-HNNXBMFYSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CC)C2 ZINC001108792160 928635992 /nfs/dbraw/zinc/63/59/92/928635992.db2.gz LTEGHTMHGZFRBL-KKUMJFAQSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001109447547 928943162 /nfs/dbraw/zinc/94/31/62/928943162.db2.gz SNCCLELYGMOEBA-BARDWOONSA-N 2 0 277.412 1.071 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115143870 937328642 /nfs/dbraw/zinc/32/86/42/937328642.db2.gz MSDQCTKPLKIPHW-FOLVSLTJSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152464550 937364891 /nfs/dbraw/zinc/36/48/91/937364891.db2.gz WCHNBHCUPPPRSX-CQSZACIVSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134729517 929866910 /nfs/dbraw/zinc/86/69/10/929866910.db2.gz IZFNGYNRDHEJLD-LSDHHAIUSA-N 2 0 293.455 1.921 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134999353 929996910 /nfs/dbraw/zinc/99/69/10/929996910.db2.gz PMMNZJYWPHOJFO-KGLIPLIRSA-N 2 0 298.390 1.844 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135378887 930178256 /nfs/dbraw/zinc/17/82/56/930178256.db2.gz NHHFQIWYSHJJAF-NEPJUHHUSA-N 2 0 275.824 1.564 20 30 CDEDRP C=CC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001135477375 930227609 /nfs/dbraw/zinc/22/76/09/930227609.db2.gz FQQGVHGJQMWTPF-ZDUSSCGKSA-N 2 0 255.406 1.245 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135607539 930289105 /nfs/dbraw/zinc/28/91/05/930289105.db2.gz AHZNOZLDBJFYOF-KGLIPLIRSA-N 2 0 281.444 1.777 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767417 930399334 /nfs/dbraw/zinc/39/93/34/930399334.db2.gz CQIJTDRRONNBKU-CABCVRRESA-N 2 0 279.428 1.224 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1[nH]cnc1C ZINC001136036877 930615163 /nfs/dbraw/zinc/61/51/63/930615163.db2.gz ZMOKDDRQNCZXKV-NEPJUHHUSA-N 2 0 276.384 1.157 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001154000495 937490129 /nfs/dbraw/zinc/49/01/29/937490129.db2.gz DWEOZPUQAXBREW-ZIAGYGMSSA-N 2 0 269.433 1.729 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154327302 937531733 /nfs/dbraw/zinc/53/17/33/937531733.db2.gz DTFJWNXOULOBHJ-CYBMUJFWSA-N 2 0 286.379 1.961 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001091109730 931824547 /nfs/dbraw/zinc/82/45/47/931824547.db2.gz GUPODKLIQKYSKZ-UHFFFAOYSA-N 2 0 296.374 1.374 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171204908 931953336 /nfs/dbraw/zinc/95/33/36/931953336.db2.gz HTUUGSLLIPJYSQ-CQSZACIVSA-N 2 0 285.432 1.015 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ccnc1C ZINC001146331383 932234689 /nfs/dbraw/zinc/23/46/89/932234689.db2.gz BIAJPXJFTQVRSO-QWHCGFSZSA-N 2 0 276.384 1.088 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146537212 932263130 /nfs/dbraw/zinc/26/31/30/932263130.db2.gz XHMOYXADKPECNI-HOTGVXAUSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001171363339 932867143 /nfs/dbraw/zinc/86/71/43/932867143.db2.gz TWZZDRCWVLSRET-UHFFFAOYSA-N 2 0 276.384 1.433 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092198730 932924391 /nfs/dbraw/zinc/92/43/91/932924391.db2.gz XCLAEFNMHBSATK-UXLLHSPISA-N 2 0 291.439 1.295 20 30 CDEDRP CCOCCC[N@@H+]1CCC(=NNC2=[NH+][C@H](C)CN2)[C@@H](C)C1 ZINC000779794185 934708701 /nfs/dbraw/zinc/70/87/01/934708701.db2.gz DIPFITNZKXXUGE-QWHCGFSZSA-N 2 0 295.431 1.048 20 30 CDEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC ZINC001114828843 935000891 /nfs/dbraw/zinc/00/08/91/935000891.db2.gz LCXHBHHASZZBLC-XUWVNRHRSA-N 2 0 293.455 1.729 20 30 CDEDRP [NH2+]=C(NCCCCC[NH+]1CCCCC1)NC[C@H]1CCCO1 ZINC000304055567 935050484 /nfs/dbraw/zinc/05/04/84/935050484.db2.gz MBKODPUIJVHEHQ-OAHLLOKOSA-N 2 0 296.459 1.726 20 30 CDEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001042746589 935828504 /nfs/dbraw/zinc/82/85/04/935828504.db2.gz FGKRAPCVQIENDH-UKRRQHHQSA-N 2 0 279.428 1.435 20 30 CDEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001122177671 937911049 /nfs/dbraw/zinc/91/10/49/937911049.db2.gz HSCKKYJTERHZLC-UHFFFAOYSA-N 2 0 289.423 1.123 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157091843 938453014 /nfs/dbraw/zinc/45/30/14/938453014.db2.gz FETCEFCSVZMWLK-MRXNPFEDSA-N 2 0 293.455 1.712 20 30 CDEDRP CC(C)N(c1ncc2c(c1C#N)CCC[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC001158022389 938575760 /nfs/dbraw/zinc/57/57/60/938575760.db2.gz NPBPXQRZAXGWCT-AWEZNQCLSA-N 2 0 299.422 1.566 20 30 CDEDRP C[C@@H]1CN(c2ncc3c(c2C#N)CCC[NH2+]C3)C[C@@H](C)[NH2+]1 ZINC001158172198 938589716 /nfs/dbraw/zinc/58/97/16/938589716.db2.gz BUHKKYAWHDMDNW-VXGBXAGGSA-N 2 0 285.395 1.176 20 30 CDEDRP Cc1nc(N[C@@H]([NH3+])CCC[NH3+])c(C#N)c(C)c1Cl ZINC001159780243 938751546 /nfs/dbraw/zinc/75/15/46/938751546.db2.gz VJJLETPNJTWJJW-SNVBAGLBSA-N 2 0 267.764 1.659 20 30 CDEDRP N#CC1(c2ccc(N[C@H]([NH3+])CCC[NH3+])nc2)CCOCC1 ZINC001159786947 938752843 /nfs/dbraw/zinc/75/28/43/938752843.db2.gz OCMXYAJEDUOIIT-ZDUSSCGKSA-N 2 0 289.383 1.089 20 30 CDEDRP N#Cc1cnc(Cl)cc1C(F)(F)N[C@H]([NH3+])CCC[NH3+] ZINC001159786297 938753121 /nfs/dbraw/zinc/75/31/21/938753121.db2.gz XURJXFMJGNFLTO-JTQLQIEISA-N 2 0 289.717 1.269 20 30 CDEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001161207800 938879309 /nfs/dbraw/zinc/87/93/09/938879309.db2.gz WQQLEOPYZBHYSF-GOEBONIOSA-N 2 0 291.439 1.509 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001161407121 938900256 /nfs/dbraw/zinc/90/02/56/938900256.db2.gz BKNQLXWPPZKEPF-UHFFFAOYSA-N 2 0 290.411 1.580 20 30 CDEDRP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161863486 938936600 /nfs/dbraw/zinc/93/66/00/938936600.db2.gz RDDTYBSTRWCLLF-MRXNPFEDSA-N 2 0 289.423 1.100 20 30 CDEDRP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161869621 938937703 /nfs/dbraw/zinc/93/77/03/938937703.db2.gz HOURVDNGQNFCHC-INIZCTEOSA-N 2 0 291.439 1.653 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163231255 939230358 /nfs/dbraw/zinc/23/03/58/939230358.db2.gz BSZOHHVNXNVKID-MRXNPFEDSA-N 2 0 293.455 1.923 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001163274999 939237886 /nfs/dbraw/zinc/23/78/86/939237886.db2.gz MPSPDIPUNVMKBB-UHFFFAOYSA-N 2 0 293.455 1.760 20 30 CDEDRP CC(=NCc1cccc(C[NH3+])c1)Nc1ncc2c(n1)C[NH2+]C2 ZINC001163472128 939274172 /nfs/dbraw/zinc/27/41/72/939274172.db2.gz TWCODVPLUUQGKZ-UHFFFAOYSA-N 2 0 296.378 1.569 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166627391 939620531 /nfs/dbraw/zinc/62/05/31/939620531.db2.gz UUFOFVTZXFENNR-CABCVRRESA-N 2 0 281.444 1.921 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C12CCC2 ZINC001203312765 939682402 /nfs/dbraw/zinc/68/24/02/939682402.db2.gz UNHNDTUNZBQDDF-ZIAGYGMSSA-N 2 0 291.439 1.531 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001205334183 939881825 /nfs/dbraw/zinc/88/18/25/939881825.db2.gz FVOGSCZQHMGOJE-JKSUJKDBSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001205469780 939891790 /nfs/dbraw/zinc/89/17/90/939891790.db2.gz XMWHDHWNMNPXAO-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001205492926 939893910 /nfs/dbraw/zinc/89/39/10/939893910.db2.gz NQBHQMXNHQLYDX-INIZCTEOSA-N 2 0 293.455 1.424 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001206168556 939989978 /nfs/dbraw/zinc/98/99/78/939989978.db2.gz GASUUPJQZVBTNY-MRXNPFEDSA-N 2 0 295.471 1.977 20 30 CDEDRP COC(=O)C1(C#N)CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208114898 940292340 /nfs/dbraw/zinc/29/23/40/940292340.db2.gz DVAGDTSYNKIFEJ-UHFFFAOYSA-N 2 0 293.411 1.497 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208447342 940331719 /nfs/dbraw/zinc/33/17/19/940331719.db2.gz FKYGMZRMTHRIIP-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP C=CC[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC001209448866 940590619 /nfs/dbraw/zinc/59/06/19/940590619.db2.gz LZEHYEOFSLBXJA-UHFFFAOYSA-N 2 0 251.418 1.666 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210750936 940710672 /nfs/dbraw/zinc/71/06/72/940710672.db2.gz PAAPULNGQJEGPO-AWEZNQCLSA-N 2 0 267.417 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216217579 940929464 /nfs/dbraw/zinc/92/94/64/940929464.db2.gz ZVMIIOMOBQLUFN-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216834749 940967898 /nfs/dbraw/zinc/96/78/98/940967898.db2.gz WGENHTOQRCBNJX-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@H]1COC(C)(C)[NH2+]1 ZINC001217934056 941030512 /nfs/dbraw/zinc/03/05/12/941030512.db2.gz RPQWUJPKGMTUEZ-YNEHKIRRSA-N 2 0 254.374 1.424 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847617 941389949 /nfs/dbraw/zinc/38/99/49/941389949.db2.gz MRKCXCPWQBUOFS-ZQDZILKHSA-N 2 0 295.427 1.086 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H]([NH3+])[C@@H](C)CC ZINC001220868919 941479475 /nfs/dbraw/zinc/47/94/75/941479475.db2.gz ZRZLPONMXDAIBS-IHRRRGAJSA-N 2 0 267.417 1.517 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220885087 941481070 /nfs/dbraw/zinc/48/10/70/941481070.db2.gz XYZBYOKEBMAMTQ-OLZOCXBDSA-N 2 0 253.390 1.318 20 30 CDEDRP CC[C@H](CC#N)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220898652 941485414 /nfs/dbraw/zinc/48/54/14/941485414.db2.gz RGHITXWTXCYHCK-OLZOCXBDSA-N 2 0 268.405 1.290 20 30 CDEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221128129 941498163 /nfs/dbraw/zinc/49/81/63/941498163.db2.gz KZKHAAQGMUVAEX-RHSMWYFYSA-N 2 0 291.439 1.566 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777055 941550378 /nfs/dbraw/zinc/55/03/78/941550378.db2.gz PNNHLRVOADIVBC-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH2+]CCN1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224118341 941722091 /nfs/dbraw/zinc/72/20/91/941722091.db2.gz IAWGFCJHUXCTTP-ZFWWWQNUSA-N 2 0 257.381 1.903 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001226333036 941988485 /nfs/dbraw/zinc/98/84/85/941988485.db2.gz FCJBUFXJRBAQQS-KLHDSHLOSA-N 2 0 291.439 1.367 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001226766356 942065788 /nfs/dbraw/zinc/06/57/88/942065788.db2.gz MQMUGIKROYBSCR-HUUCEWRRSA-N 2 0 291.439 1.511 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001228341976 942301836 /nfs/dbraw/zinc/30/18/36/942301836.db2.gz PWSADXCZGIRQIT-HZPDHXFCSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001228435110 942316497 /nfs/dbraw/zinc/31/64/97/942316497.db2.gz KWTHKAOOPSCCTK-RBSFLKMASA-N 2 0 281.444 1.776 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001230354993 942610394 /nfs/dbraw/zinc/61/03/94/942610394.db2.gz OOGREGSTNLNSKW-UHFFFAOYSA-N 2 0 291.439 1.466 20 30 CDEDRP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001281956752 942636504 /nfs/dbraw/zinc/63/65/04/942636504.db2.gz KRNGKRCUPIOWLC-KBPBESRZSA-N 2 0 267.417 1.435 20 30 CDEDRP C=CC[NH2+]CCN1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235381047 944139522 /nfs/dbraw/zinc/13/95/22/944139522.db2.gz ZXIQYOSDXRZKBM-MSOLQXFVSA-N 2 0 285.435 1.841 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235589483 944212641 /nfs/dbraw/zinc/21/26/41/944212641.db2.gz SBDBIOQWGVLEII-CABCVRRESA-N 2 0 281.444 1.681 20 30 CDEDRP CC[C@H](CC#N)[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001255162584 947758840 /nfs/dbraw/zinc/75/88/40/947758840.db2.gz TWRGUVJAGKXHPK-MGPQQGTHSA-N 2 0 280.416 1.257 20 30 CDEDRP CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246019769 947900283 /nfs/dbraw/zinc/90/02/83/947900283.db2.gz HUNZDDKQUJKGJH-RRFJBIMHSA-N 2 0 272.433 1.492 20 30 CDEDRP CCCCCCCC[C@H](O)CN1CC[NH2+]C[C@H](O)C1 ZINC001246029870 947909381 /nfs/dbraw/zinc/90/93/81/947909381.db2.gz DDOFQFBYLHHDGA-GJZGRUSLSA-N 2 0 272.433 1.364 20 30 CDEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001246218670 948035874 /nfs/dbraw/zinc/03/58/74/948035874.db2.gz RRUBOKFMRIAJEL-CQSZACIVSA-N 2 0 298.434 1.515 20 30 CDEDRP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246541378 948243958 /nfs/dbraw/zinc/24/39/58/948243958.db2.gz HCBUCXOOIXFWLN-YOEHRIQHSA-N 2 0 287.407 1.665 20 30 CDEDRP CC(C)[NH+]1CCC(NC(=[NH2+])c2ccc(F)cn2)CC1 ZINC001257205736 948543977 /nfs/dbraw/zinc/54/39/77/948543977.db2.gz OWNMJFLLLIDOMH-UHFFFAOYSA-N 2 0 264.348 1.799 20 30 CDEDRP C=CCOC[C@H](O)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001252470704 951322243 /nfs/dbraw/zinc/32/22/43/951322243.db2.gz NNBOUQHINGFMPP-YESZJQIVSA-N 2 0 296.455 1.889 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]CCCCC[NH+]1CCCC1 ZINC001252487993 951353028 /nfs/dbraw/zinc/35/30/28/951353028.db2.gz DBSJHGJHBVRCRM-HNNXBMFYSA-N 2 0 270.417 1.406 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001252493134 951362232 /nfs/dbraw/zinc/36/22/32/951362232.db2.gz MWVHBQXKHQRSRY-INIZCTEOSA-N 2 0 282.428 1.547 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001341665841 963504627 /nfs/dbraw/zinc/50/46/27/963504627.db2.gz RAKISFQLAIQDNH-QLFBSQMISA-N 2 0 281.444 1.742 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC001342144814 963654220 /nfs/dbraw/zinc/65/42/20/963654220.db2.gz MWNVQOURWRKAHS-HUUCEWRRSA-N 2 0 281.444 1.907 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001100407836 968266121 /nfs/dbraw/zinc/26/61/21/968266121.db2.gz LKDMRQDHWNBANK-BCLQGDPASA-N 2 0 293.455 1.777 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001100410083 968269883 /nfs/dbraw/zinc/26/98/83/968269883.db2.gz ZVBXQGAPSMQMOU-UHFFFAOYSA-N 2 0 299.846 1.708 20 30 CDEDRP C=CCOCC[NH2+]C1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001100443327 968370233 /nfs/dbraw/zinc/37/02/33/968370233.db2.gz AZRUPCLCKUENOJ-YMAMQOFZSA-N 2 0 297.443 1.014 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC001354319520 968640365 /nfs/dbraw/zinc/64/03/65/968640365.db2.gz UFIFVTGTHHVDRN-STQMWFEESA-N 2 0 253.390 1.271 20 30 CDEDRP C=C(Cl)CN(C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001381628498 976959572 /nfs/dbraw/zinc/95/95/72/976959572.db2.gz OXFIYBLPWLGJEV-QWHCGFSZSA-N 2 0 289.851 1.762 20 30 CDEDRP C=CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132791302 1163480058 /nfs/dbraw/zinc/48/00/58/1163480058.db2.gz WYNOJQMAKTUASL-HNNXBMFYSA-N 2 0 279.428 1.675 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132887340 1163500597 /nfs/dbraw/zinc/50/05/97/1163500597.db2.gz DLODPPPIQPRFBU-LSDHHAIUSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001570000069 1170056670 /nfs/dbraw/zinc/05/66/70/1170056670.db2.gz HQZITUWUDXUXIR-LSDHHAIUSA-N 2 0 279.428 1.034 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(C#N)cs1 ZINC000589195636 342499564 /nfs/dbraw/zinc/49/95/64/342499564.db2.gz NZDSBKNPJSSDHE-UHFFFAOYSA-N 2 0 280.441 1.545 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592255979 342683212 /nfs/dbraw/zinc/68/32/12/342683212.db2.gz VLFXTXUALYBUTI-ILXRZTDVSA-N 2 0 292.427 1.246 20 30 CDEDRP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)N1CC[NH+](C)CC1 ZINC000442723096 362083454 /nfs/dbraw/zinc/08/34/54/362083454.db2.gz WTWUDDLVOQGFMR-OAGGEKHMSA-N 2 0 278.444 1.540 20 30 CDEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cccc(C#N)c1 ZINC000106485550 186120258 /nfs/dbraw/zinc/12/02/58/186120258.db2.gz PMIXGGHGIMDKJW-AWEZNQCLSA-N 2 0 272.396 1.284 20 30 CDEDRP C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000644636129 366282620 /nfs/dbraw/zinc/28/26/20/366282620.db2.gz VZMWFVUHPHHYRL-CQSZACIVSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000261800981 359063577 /nfs/dbraw/zinc/06/35/77/359063577.db2.gz LADGZVCBUXSMFJ-ZDUSSCGKSA-N 2 0 265.401 1.143 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C ZINC000104156130 390484916 /nfs/dbraw/zinc/48/49/16/390484916.db2.gz GYURYDBMDQZTBW-OAHLLOKOSA-N 2 0 274.412 1.884 20 30 CDEDRP C=CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975800 391371426 /nfs/dbraw/zinc/37/14/26/391371426.db2.gz GBGDNSINEVTCBF-ZIAGYGMSSA-N 2 0 265.401 1.000 20 30 CDEDRP C[NH+]=C(NCc1c(C)noc1C)NC[C@@H]1CCC[N@@H+]1C ZINC000157046285 261138415 /nfs/dbraw/zinc/13/84/15/261138415.db2.gz SVWCQASRIJKDMH-LBPRGKRZSA-N 2 0 279.388 1.051 20 30 CDEDRP CC[N@H+](C)Cc1cccc(CNC(NC2CC2)=[NH+]C)c1 ZINC000264040410 262859360 /nfs/dbraw/zinc/85/93/60/262859360.db2.gz ILZHFNZDWOESDM-UHFFFAOYSA-N 2 0 274.412 1.966 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000237393984 423870272 /nfs/dbraw/zinc/87/02/72/423870272.db2.gz GCFKKOMZBQDVJE-AWEZNQCLSA-N 2 0 293.455 1.779 20 30 CDEDRP C#Cc1ccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000377539061 329018122 /nfs/dbraw/zinc/01/81/22/329018122.db2.gz BQQGCPDRKNHITC-GOSISDBHSA-N 2 0 297.446 1.926 20 30 CDEDRP CN1CC[NH+]=C1NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000262687728 330027223 /nfs/dbraw/zinc/02/72/23/330027223.db2.gz ZADJKJDYMLQOLE-UHFFFAOYSA-N 2 0 294.443 1.160 20 30 CDEDRP [NH2+]=C(NC[C@H]1CCCO1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000262845615 330035101 /nfs/dbraw/zinc/03/51/01/330035101.db2.gz RRHZMMBHHNJYNC-ZIAGYGMSSA-N 2 0 280.416 1.087 20 30 CDEDRP C[N@@H+]1CCC[C@@H](CCNC(=[NH2+])NCC2CCC2)C1 ZINC000263146341 330045839 /nfs/dbraw/zinc/04/58/39/330045839.db2.gz OWUFKMSIWGCXFI-ZDUSSCGKSA-N 2 0 252.406 1.423 20 30 CDEDRP C=CCN1CC[C@H]([N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)C1=O ZINC000422633858 330150483 /nfs/dbraw/zinc/15/04/83/330150483.db2.gz IVVZYZFOCMVEPR-XUXIUFHCSA-N 2 0 265.401 1.079 20 30 CDEDRP C=CC[NH+]1CCC(N[C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422854689 330157871 /nfs/dbraw/zinc/15/78/71/330157871.db2.gz BFMKSRXAQXOSKO-UKRRQHHQSA-N 2 0 251.418 1.757 20 30 CDEDRP C=CC[C@@H](C)[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422977808 330162145 /nfs/dbraw/zinc/16/21/45/330162145.db2.gz GHBMKIROKRRVHU-CHWSQXEVSA-N 2 0 268.401 1.862 20 30 CDEDRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424134340 330266715 /nfs/dbraw/zinc/26/67/15/330266715.db2.gz NJSJEBWGQOPYOF-OLZOCXBDSA-N 2 0 268.405 1.100 20 30 CDEDRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424143369 330287043 /nfs/dbraw/zinc/28/70/43/330287043.db2.gz GCFKBHOYJPKJIW-MCIONIFRSA-N 2 0 280.416 1.244 20 30 CDEDRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442780797 330782473 /nfs/dbraw/zinc/78/24/73/330782473.db2.gz GRXRAJGOEBPCCN-ZIAGYGMSSA-N 2 0 264.417 1.294 20 30 CDEDRP C#CCNC(=O)CC[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000491383428 332201712 /nfs/dbraw/zinc/20/17/12/332201712.db2.gz LSKKGISELGWAPM-HNNXBMFYSA-N 2 0 279.428 1.228 20 30 CDEDRP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@H+]1CCC ZINC000491746796 332324270 /nfs/dbraw/zinc/32/42/70/332324270.db2.gz MGGMBUQVQGSSTC-HNNXBMFYSA-N 2 0 294.443 1.115 20 30 CDEDRP C[NH+](C)Cc1ccnc(NC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC000568998103 334850389 /nfs/dbraw/zinc/85/03/89/334850389.db2.gz VYLNVRLUIYDEME-LBPRGKRZSA-N 2 0 275.356 1.103 20 30 CDEDRP C=C1CC=C(F)C=C1NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220796675 1159591596 /nfs/dbraw/zinc/59/15/96/1159591596.db2.gz ADVJUZSATBLORH-ZDUSSCGKSA-N 2 0 281.375 1.859 20 30 CDEDRP COCC#CC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000677818814 482794439 /nfs/dbraw/zinc/79/44/39/482794439.db2.gz WECZUPFPHDXZAF-UHFFFAOYSA-N 2 0 252.402 1.688 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105944857 1161008032 /nfs/dbraw/zinc/00/80/32/1161008032.db2.gz BTDQNCNUYXFEGX-BNOWGMLFSA-N 2 0 299.846 1.517 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874686 1161200302 /nfs/dbraw/zinc/20/03/02/1161200302.db2.gz PNCLXQHQYYBNHX-BZUAXINKSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001109464159 1162033516 /nfs/dbraw/zinc/03/35/16/1162033516.db2.gz OKAHDNKPLHMNLU-ILXRZTDVSA-N 2 0 291.439 1.462 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001753447834 1184542276 /nfs/dbraw/zinc/54/22/76/1184542276.db2.gz HQDZISSMHZJFJN-HNNXBMFYSA-N 2 0 279.428 1.274 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001755188510 1185843565 /nfs/dbraw/zinc/84/35/65/1185843565.db2.gz GUTHHRLDKKYPCJ-ZIAGYGMSSA-N 2 0 265.401 1.189 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000352014054 526445988 /nfs/dbraw/zinc/44/59/88/526445988.db2.gz LJGQCDNLIFLVJY-UHFFFAOYSA-N 2 0 265.401 1.193 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000764506474 575916689 /nfs/dbraw/zinc/91/66/89/575916689.db2.gz HWBZEMBHQCETPN-AWEZNQCLSA-N 2 0 267.417 1.485 20 30 CDEDRP C#CCCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000766930493 576146843 /nfs/dbraw/zinc/14/68/43/576146843.db2.gz HEDPGSHPKHUMSJ-SOUVJXGZSA-N 2 0 250.386 1.583 20 30 CDEDRP C#CCC[NH+]1CCN(CCC[NH+](CC)CC)CC1 ZINC000755067870 576929097 /nfs/dbraw/zinc/92/90/97/576929097.db2.gz UVUVXXAFJNALFF-UHFFFAOYSA-N 2 0 251.418 1.359 20 30 CDEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)C1 ZINC000964013917 612954618 /nfs/dbraw/zinc/95/46/18/612954618.db2.gz PNXMRWSXRGFYHB-FZOOGMQUSA-N 2 0 298.390 1.163 20 30 CDEDRP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000960330462 612971086 /nfs/dbraw/zinc/97/10/86/612971086.db2.gz UADUDASJSWBSFO-SJLPKXTDSA-N 2 0 297.402 1.087 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000945180118 613130837 /nfs/dbraw/zinc/13/08/37/613130837.db2.gz KQLUPDMSFVFMAU-GOEBONIOSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000957386428 613245755 /nfs/dbraw/zinc/24/57/55/613245755.db2.gz YSYRCOPITYNPDR-AWEZNQCLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)CC[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000981953699 613251941 /nfs/dbraw/zinc/25/19/41/613251941.db2.gz RXUUYHMLBGHHQB-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942717858 613258828 /nfs/dbraw/zinc/25/88/28/613258828.db2.gz ASQDXXYUXSIJRZ-CABCVRRESA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980406703 613283781 /nfs/dbraw/zinc/28/37/81/613283781.db2.gz RESAUXXMRGTTER-CQSZACIVSA-N 2 0 265.401 1.191 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000981369105 613308143 /nfs/dbraw/zinc/30/81/43/613308143.db2.gz BELTXWRFLDBEJF-INIZCTEOSA-N 2 0 293.455 1.971 20 30 CDEDRP CCO[C@H](CC[NH+](C)C)C[NH2+]CC#Cc1ccccc1 ZINC000893364091 617690473 /nfs/dbraw/zinc/69/04/73/617690473.db2.gz RSSKCCHZUGKYCN-QGZVFWFLSA-N 2 0 274.408 1.985 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000906594337 627344398 /nfs/dbraw/zinc/34/43/98/627344398.db2.gz YCEFYIGRQFPNRP-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2(C#N)CC[NH+](C)CC2)C1 ZINC000906601982 627348301 /nfs/dbraw/zinc/34/83/01/627348301.db2.gz YCTJGINVXCSHIK-CQSZACIVSA-N 2 0 292.427 1.213 20 30 CDEDRP CC(C)C[N@@H+]1CCC[C@H](C[NH+]=C(N(C)C)N(C)C)C1 ZINC000157400202 630597919 /nfs/dbraw/zinc/59/79/19/630597919.db2.gz MHMMUPCUQLWXMY-CQSZACIVSA-N 2 0 268.449 1.834 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130192519 1162567331 /nfs/dbraw/zinc/56/73/31/1162567331.db2.gz PUFARPJZSZCTTG-STQMWFEESA-N 2 0 285.819 1.462 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130297219 1162597017 /nfs/dbraw/zinc/59/70/17/1162597017.db2.gz IZPZDXIMIPBRDH-UONOGXRCSA-N 2 0 267.417 1.531 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001086658874 1162801726 /nfs/dbraw/zinc/80/17/26/1162801726.db2.gz CHFISDOEJDKCSU-RRFJBIMHSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CC[NH2+]CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379682273 1159710524 /nfs/dbraw/zinc/71/05/24/1159710524.db2.gz WQPRPNNARDYXKI-WBVHZDCISA-N 2 0 299.418 1.379 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132273231 1163225826 /nfs/dbraw/zinc/22/58/26/1163225826.db2.gz FGBPGYACIDDCMS-OLZOCXBDSA-N 2 0 253.390 1.093 20 30 CDEDRP CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001133982476 1163997348 /nfs/dbraw/zinc/99/73/48/1163997348.db2.gz BOTNWWXSDDHYKZ-ZDUSSCGKSA-N 2 0 294.424 1.166 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001567875695 1169038858 /nfs/dbraw/zinc/03/88/58/1169038858.db2.gz OXSJYSDUQOLRSZ-KBPBESRZSA-N 2 0 267.417 1.339 20 30 CDEDRP C#CCNC(=O)CC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC001574707252 1170999234 /nfs/dbraw/zinc/99/92/34/1170999234.db2.gz PPBJDBQIIHICPD-OAHLLOKOSA-N 2 0 273.380 1.196 20 30 CDEDRP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001691979336 1175661602 /nfs/dbraw/zinc/66/16/02/1175661602.db2.gz JHVHQYFHULDGHU-HZPDHXFCSA-N 2 0 293.455 1.376 20 30 CDEDRP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001717742768 1180821702 /nfs/dbraw/zinc/82/17/02/1180821702.db2.gz QEHXCPWPSFMJBL-QWHCGFSZSA-N 2 0 255.406 1.195 20 30 CDEDRP CC#CC[NH2+][C@@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001752901380 1184957583 /nfs/dbraw/zinc/95/75/83/1184957583.db2.gz PIOKDEJTVYDWOH-BBRMVZONSA-N 2 0 297.418 1.317 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001753138977 1185081965 /nfs/dbraw/zinc/08/19/65/1185081965.db2.gz QPSINBZQQFZGFO-OAHLLOKOSA-N 2 0 281.444 1.733 20 30 CDEDRP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001753241596 1185128441 /nfs/dbraw/zinc/12/84/41/1185128441.db2.gz BSWDTSDRJPZMDB-HNNXBMFYSA-N 2 0 281.444 1.873 20 30 CDEDRP CC#CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001753295198 1185146576 /nfs/dbraw/zinc/14/65/76/1185146576.db2.gz HTQXTTMSQHSOJC-OAHLLOKOSA-N 2 0 279.428 1.178 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001753332974 1185159001 /nfs/dbraw/zinc/15/90/01/1185159001.db2.gz ZKYNFTKJLOEYGU-HNNXBMFYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001753868474 1185374062 /nfs/dbraw/zinc/37/40/62/1185374062.db2.gz JHHKIKUWPPROGQ-HUUCEWRRSA-N 2 0 281.444 1.683 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001753896631 1185385742 /nfs/dbraw/zinc/38/57/42/1185385742.db2.gz WWTPCVFCVNIZMT-JKSUJKDBSA-N 2 0 291.439 1.226 20 30 CDEDRP C=CCCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001754022930 1185428457 /nfs/dbraw/zinc/42/84/57/1185428457.db2.gz LSWYMXKGKDWRGX-KGLIPLIRSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CCC)CC1 ZINC001754208924 1185505352 /nfs/dbraw/zinc/50/53/52/1185505352.db2.gz CKWZHDLMPSNMRM-AATRIKPKSA-N 2 0 277.412 1.004 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CC ZINC001754468987 1185629294 /nfs/dbraw/zinc/62/92/94/1185629294.db2.gz BYDFIDFXJURWPY-CABCVRRESA-N 2 0 279.428 1.178 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CC ZINC001754471079 1185630620 /nfs/dbraw/zinc/63/06/20/1185630620.db2.gz VESYIQLSBMCILZ-CVEARBPZSA-N 2 0 293.455 1.568 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001754556690 1185665956 /nfs/dbraw/zinc/66/59/56/1185665956.db2.gz GAHYDYFBKHLUHF-KRWDZBQOSA-N 2 0 291.439 1.276 20 30 CDEDRP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001754710788 1185712133 /nfs/dbraw/zinc/71/21/33/1185712133.db2.gz MTOWMBPMEPEFRS-MRXNPFEDSA-N 2 0 291.439 1.487 20 30 CDEDRP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001754710819 1185712362 /nfs/dbraw/zinc/71/23/62/1185712362.db2.gz NJKNICHZEURGTG-DOTOQJQBSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001755386847 1185937236 /nfs/dbraw/zinc/93/72/36/1185937236.db2.gz WFZWVUDEDSBJRE-CABCVRRESA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001755526186 1185980176 /nfs/dbraw/zinc/98/01/76/1185980176.db2.gz BWCXLLJHHWIFPU-CVEARBPZSA-N 2 0 293.455 1.759 20 30 CDEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001755572997 1185994638 /nfs/dbraw/zinc/99/46/38/1185994638.db2.gz USSFZAUDPYYTLY-CVEARBPZSA-N 2 0 291.439 1.319 20 30 CDEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001755724933 1186048241 /nfs/dbraw/zinc/04/82/41/1186048241.db2.gz ZXGOWBXAIPSZAV-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133819466 1163906834 /nfs/dbraw/zinc/90/68/34/1163906834.db2.gz CMIHFYVBLGPNAH-ZDUSSCGKSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133856580 1163933611 /nfs/dbraw/zinc/93/36/11/1163933611.db2.gz JXDXTLLJSYWPFK-OAHLLOKOSA-N 2 0 285.407 1.481 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134857859 1164108101 /nfs/dbraw/zinc/10/81/01/1164108101.db2.gz KOVDRFZKISMSOW-ZIAGYGMSSA-N 2 0 277.412 1.121 20 30 CDEDRP C[NH+](C)[C@@H]1CCCN(c2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001165037701 721885298 /nfs/dbraw/zinc/88/52/98/721885298.db2.gz ZTSMUMFJVGDPLQ-CQSZACIVSA-N 2 0 299.422 1.519 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996674849 782313727 /nfs/dbraw/zinc/31/37/27/782313727.db2.gz CZGGDBXNRNXMMD-INIZCTEOSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001041409846 782339540 /nfs/dbraw/zinc/33/95/40/782339540.db2.gz SLIJRBRACSNEIN-NVXWUHKLSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001040398093 782493744 /nfs/dbraw/zinc/49/37/44/782493744.db2.gz FCPPGNLLJSMZSA-RDJZCZTQSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001074686063 780889004 /nfs/dbraw/zinc/88/90/04/780889004.db2.gz LPDLSDKLHQOMKI-XHSDSOJGSA-N 2 0 291.439 1.462 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000996674088 782734625 /nfs/dbraw/zinc/73/46/25/782734625.db2.gz ZCGUPIXCDREVPS-UHFFFAOYSA-N 2 0 299.846 1.804 20 30 CDEDRP C=CCC[C@@H](O)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132543 782832158 /nfs/dbraw/zinc/83/21/58/782832158.db2.gz IBYHBPCQGVOJEO-GOEBONIOSA-N 2 0 275.396 1.919 20 30 CDEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2 ZINC001035798301 782866306 /nfs/dbraw/zinc/86/63/06/782866306.db2.gz MFSNYMXJRACTJH-HNNXBMFYSA-N 2 0 291.439 1.274 20 30 CDEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=[NH2+])N2CCSCC2)C1 ZINC000303874220 782889232 /nfs/dbraw/zinc/88/92/32/782889232.db2.gz CXCUTJXTBFXRPO-ZIAGYGMSSA-N 2 0 298.500 1.718 20 30 CDEDRP C#CC[N@@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000985568993 782918838 /nfs/dbraw/zinc/91/88/38/782918838.db2.gz TWTUTYUKQRIFIO-UHFFFAOYSA-N 2 0 291.439 1.417 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1C ZINC001032479071 782939100 /nfs/dbraw/zinc/93/91/00/782939100.db2.gz CYYOEWNUOHCUOI-HRCADAONSA-N 2 0 291.439 1.722 20 30 CDEDRP C=C(Cl)CN1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028984971 782939853 /nfs/dbraw/zinc/93/98/53/782939853.db2.gz GUOVTYSOHBLBBV-CHWSQXEVSA-N 2 0 285.819 1.129 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046329426 782954904 /nfs/dbraw/zinc/95/49/04/782954904.db2.gz ORJJMURUQRRWDH-INMHGKMJSA-N 2 0 293.455 1.873 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NCCCC[N@@H+]1CCCC[C@H]1C ZINC000303899761 783037704 /nfs/dbraw/zinc/03/77/04/783037704.db2.gz RSLJXLJIMKKRBA-ZIAGYGMSSA-N 2 0 284.448 1.580 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001003967654 783148757 /nfs/dbraw/zinc/14/87/57/783148757.db2.gz NEVWHMIXWGQXNY-GDBMZVCRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000988962120 783154171 /nfs/dbraw/zinc/15/41/71/783154171.db2.gz QHBYLVMEFZFQRU-CHWSQXEVSA-N 2 0 299.846 1.802 20 30 CDEDRP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009512578 783188641 /nfs/dbraw/zinc/18/86/41/783188641.db2.gz CZFHUFLEGWTXIQ-HNNXBMFYSA-N 2 0 279.428 1.629 20 30 CDEDRP C=CC[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000883416049 780338968 /nfs/dbraw/zinc/33/89/68/780338968.db2.gz KOYWLMDLADTUHV-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027449635 780488380 /nfs/dbraw/zinc/48/83/80/780488380.db2.gz FCCXKNNENRLLNO-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CCCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849008322 780554756 /nfs/dbraw/zinc/55/47/56/780554756.db2.gz FMXRZINRNDGCKK-UHFFFAOYSA-N 2 0 284.407 1.788 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996519866 780698245 /nfs/dbraw/zinc/69/82/45/780698245.db2.gz MGOGLCQKPNODCC-ZDUSSCGKSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033070215 780745018 /nfs/dbraw/zinc/74/50/18/780745018.db2.gz PEPKJVKGDGLVTE-HZPDHXFCSA-N 2 0 293.455 1.968 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999143198 780818640 /nfs/dbraw/zinc/81/86/40/780818640.db2.gz FMLOOOAGOBTMAJ-HUUCEWRRSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)Cn1ccnc1C)CC2 ZINC001035851730 780828134 /nfs/dbraw/zinc/82/81/34/780828134.db2.gz VEGLHXFMRCEVGH-UHFFFAOYSA-N 2 0 288.395 1.302 20 30 CDEDRP C#CCC[NH+]1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001005934861 780899247 /nfs/dbraw/zinc/89/92/47/780899247.db2.gz PVDUTMKEYJYEIJ-UHFFFAOYSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3ccnc3)CC[C@@H]21 ZINC001036909260 780904070 /nfs/dbraw/zinc/90/40/70/780904070.db2.gz BPKCLJUQBOUSGB-GJZGRUSLSA-N 2 0 288.395 1.382 20 30 CDEDRP C[C@@H](C#N)OCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000801953758 781007485 /nfs/dbraw/zinc/00/74/85/781007485.db2.gz VAZZPYMYZATGTJ-AWEZNQCLSA-N 2 0 265.401 1.723 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001022808223 781069563 /nfs/dbraw/zinc/06/95/63/781069563.db2.gz RHFADMKOLJEBQZ-ZNMIVQPWSA-N 2 0 279.428 1.672 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028778810 781170569 /nfs/dbraw/zinc/17/05/69/781170569.db2.gz MEPRIWXZMDQTHG-OAHLLOKOSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001027576844 781295583 /nfs/dbraw/zinc/29/55/83/781295583.db2.gz YAUFPCGXJRDITN-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014919338 781345176 /nfs/dbraw/zinc/34/51/76/781345176.db2.gz KPCMUXHKOWNMFJ-OAHLLOKOSA-N 2 0 289.423 1.076 20 30 CDEDRP C=CCC1(O)CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000717464894 781457560 /nfs/dbraw/zinc/45/75/60/781457560.db2.gz RAIYFKYCRANGAK-AWEZNQCLSA-N 2 0 252.402 1.874 20 30 CDEDRP N#Cc1ccc(N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000866704227 781609798 /nfs/dbraw/zinc/60/97/98/781609798.db2.gz RRZYGRUIAMEZGV-MRXNPFEDSA-N 2 0 284.407 1.680 20 30 CDEDRP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873294533 781821856 /nfs/dbraw/zinc/82/18/56/781821856.db2.gz WGFZWGDFNMOCSA-ILXRZTDVSA-N 2 0 277.412 1.817 20 30 CDEDRP C#CC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071872234 781834554 /nfs/dbraw/zinc/83/45/54/781834554.db2.gz MKAXEPADRWZLCH-GOEBONIOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014892187 781839596 /nfs/dbraw/zinc/83/95/96/781839596.db2.gz BXUIJUPTNFZNFK-HNNXBMFYSA-N 2 0 291.439 1.629 20 30 CDEDRP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001041353650 781865186 /nfs/dbraw/zinc/86/51/86/781865186.db2.gz IOUPKOUDIVPLBE-MRXNPFEDSA-N 2 0 289.423 1.028 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001036264537 781880015 /nfs/dbraw/zinc/88/00/15/781880015.db2.gz IVCOLXUNLBBCEX-GJZGRUSLSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031980418 781899985 /nfs/dbraw/zinc/89/99/85/781899985.db2.gz PZRKQTDFLLKVOH-ZFWWWQNUSA-N 2 0 279.428 1.198 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999976686 783495870 /nfs/dbraw/zinc/49/58/70/783495870.db2.gz YLOLYSSOYOTGCC-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106322655 913858168 /nfs/dbraw/zinc/85/81/68/913858168.db2.gz POVRUYUMSNOYEF-BZUAXINKSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001021088587 895100605 /nfs/dbraw/zinc/10/06/05/895100605.db2.gz UVHBUTIOYRDOAL-YXSUXZIUSA-N 2 0 265.401 1.282 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176165429 913987111 /nfs/dbraw/zinc/98/71/11/913987111.db2.gz LHGXBWPMNAWUOC-LSDHHAIUSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106626978 914078581 /nfs/dbraw/zinc/07/85/81/914078581.db2.gz PZUMPBSYAKOQGI-OWCLPIDISA-N 2 0 295.471 1.977 20 30 CDEDRP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001023372028 897534173 /nfs/dbraw/zinc/53/41/73/897534173.db2.gz LFENSSJAJNIHHL-OWCLPIDISA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176592090 914172343 /nfs/dbraw/zinc/17/23/43/914172343.db2.gz VPMVHEXIWJVGAE-HNNXBMFYSA-N 2 0 281.444 1.923 20 30 CDEDRP C=CCOC(=O)N[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001207442419 898981138 /nfs/dbraw/zinc/98/11/38/898981138.db2.gz AOQACAWAWDMSTP-CQSZACIVSA-N 2 0 281.400 1.363 20 30 CDEDRP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001026605483 900013537 /nfs/dbraw/zinc/01/35/37/900013537.db2.gz QOICTERGVCDVNH-NFOMZHRRSA-N 2 0 279.428 1.531 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176986866 914416002 /nfs/dbraw/zinc/41/60/02/914416002.db2.gz XJDKYHDXCWCGNB-HNNXBMFYSA-N 2 0 281.444 1.923 20 30 CDEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106840136 914418365 /nfs/dbraw/zinc/41/83/65/914418365.db2.gz ZOQWEQMUNDOGQK-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)Cc2cncn2C)[C@H]1C ZINC000994232311 914436696 /nfs/dbraw/zinc/43/66/96/914436696.db2.gz PNZYRBVWROTQOF-UKRRQHHQSA-N 2 0 290.411 1.508 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001027576846 900612054 /nfs/dbraw/zinc/61/20/54/900612054.db2.gz YAUFPCGXJRDITN-LSDHHAIUSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075613401 901640389 /nfs/dbraw/zinc/64/03/89/901640389.db2.gz BSWCQLAGUPLBAH-SOUVJXGZSA-N 2 0 277.412 1.189 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001028624413 902914003 /nfs/dbraw/zinc/91/40/03/902914003.db2.gz YDRIYTRUZWVRGJ-HNNXBMFYSA-N 2 0 291.439 1.487 20 30 CDEDRP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001028768133 904032414 /nfs/dbraw/zinc/03/24/14/904032414.db2.gz WBOAIJSZKYZWCJ-XHSDSOJGSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001269812442 904129549 /nfs/dbraw/zinc/12/95/49/904129549.db2.gz GJNRBQVXNSRQRD-ZBFHGGJFSA-N 2 0 293.455 1.968 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000262015958 904803390 /nfs/dbraw/zinc/80/33/90/904803390.db2.gz WDFKJVYZYTYVQL-ZDUSSCGKSA-N 2 0 266.433 1.977 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000262021276 904824027 /nfs/dbraw/zinc/82/40/27/904824027.db2.gz XYJSODOXIXDSLE-OLZOCXBDSA-N 2 0 252.406 1.730 20 30 CDEDRP CCc1ccc(NC(=[NH2+])NCCC[N@H+](C)CCOC)cc1 ZINC000303906503 906681145 /nfs/dbraw/zinc/68/11/45/906681145.db2.gz WDQSHKVRLJPSCT-UHFFFAOYSA-N 2 0 292.427 1.944 20 30 CDEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189054272 921262292 /nfs/dbraw/zinc/26/22/92/921262292.db2.gz BLQSTDPGJNKRRA-HRCADAONSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088571905 907990347 /nfs/dbraw/zinc/99/03/47/907990347.db2.gz RBACMIILQBJQQW-YUELXQCFSA-N 2 0 277.412 1.093 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088571793 907990410 /nfs/dbraw/zinc/99/04/10/907990410.db2.gz NPHZSRZNZWLCLY-BMFZPTHFSA-N 2 0 291.439 1.483 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001168297029 908920519 /nfs/dbraw/zinc/92/05/19/908920519.db2.gz CYUDVKPKRMQSLK-UHFFFAOYSA-N 2 0 291.439 1.372 20 30 CDEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989669359 908965600 /nfs/dbraw/zinc/96/56/00/908965600.db2.gz BXVZCUSHPMGMCY-UHFFFAOYSA-N 2 0 279.428 1.583 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001168345770 909134981 /nfs/dbraw/zinc/13/49/81/909134981.db2.gz TYYKPZAQQIJJQW-OAHLLOKOSA-N 2 0 291.439 1.370 20 30 CDEDRP C[C@H](CCCC#N)[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001172499052 911732626 /nfs/dbraw/zinc/73/26/26/911732626.db2.gz ABKSWSRCRVGSJC-CQSZACIVSA-N 2 0 280.416 1.165 20 30 CDEDRP C[C@@H](CCCC#N)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001172503247 911738365 /nfs/dbraw/zinc/73/83/65/911738365.db2.gz YLDSQJUDUVYNMO-INIZCTEOSA-N 2 0 278.444 1.782 20 30 CDEDRP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001089732246 915576276 /nfs/dbraw/zinc/57/62/76/915576276.db2.gz QATLDHLBGIRNLP-LSDHHAIUSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001178832060 915645322 /nfs/dbraw/zinc/64/53/22/915645322.db2.gz CAJJCDFXEOWSGZ-INIZCTEOSA-N 2 0 293.455 1.760 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001178832081 915647795 /nfs/dbraw/zinc/64/77/95/915647795.db2.gz CZFHJWJGFVXUME-MRXNPFEDSA-N 2 0 293.455 1.760 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179482458 915853324 /nfs/dbraw/zinc/85/33/24/915853324.db2.gz UINAPRNIKLCNPK-STQMWFEESA-N 2 0 253.390 1.093 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001179585055 915909971 /nfs/dbraw/zinc/90/99/71/915909971.db2.gz BIIRAMBEAFESOR-LSDHHAIUSA-N 2 0 279.428 1.084 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001179983223 916104455 /nfs/dbraw/zinc/10/44/55/916104455.db2.gz PVYJLTOEPACBPC-STQMWFEESA-N 2 0 287.835 1.660 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001180226571 916203887 /nfs/dbraw/zinc/20/38/87/916203887.db2.gz BCFUFBVAUSIPEI-GJZGRUSLSA-N 2 0 281.444 1.872 20 30 CDEDRP CC[NH+](CC)CCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000303703157 935041305 /nfs/dbraw/zinc/04/13/05/935041305.db2.gz JIAKENSXIYLFNO-CQSZACIVSA-N 3 0 283.464 1.107 20 30 CDEDRP C[C@H]1CCC[N@H+](CCCC[NH+]=C(N(C)C)N(C)C)C1 ZINC000303904615 935047248 /nfs/dbraw/zinc/04/72/48/935047248.db2.gz VACRHOBFAOOGKB-AWEZNQCLSA-N 2 0 268.449 1.978 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000303893239 935047571 /nfs/dbraw/zinc/04/75/71/935047571.db2.gz RVMYCOCJKBMPQB-QWHCGFSZSA-N 2 0 270.421 1.046 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001183255774 918411982 /nfs/dbraw/zinc/41/19/82/918411982.db2.gz PNHAZELAWJVXDO-CVEARBPZSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183398553 918472817 /nfs/dbraw/zinc/47/28/17/918472817.db2.gz FTOLNCIAKHLXAS-IIAWOOMASA-N 2 0 279.428 1.198 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000997141407 918989059 /nfs/dbraw/zinc/98/90/59/918989059.db2.gz XPOMFPOZHLPAGD-UHFFFAOYSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185071990 919410373 /nfs/dbraw/zinc/41/03/73/919410373.db2.gz CPMCOAJCCFTQJI-UONOGXRCSA-N 2 0 267.417 1.198 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1C ZINC001185336733 919556127 /nfs/dbraw/zinc/55/61/27/919556127.db2.gz KHIDCMIYBZDWJZ-GJZGRUSLSA-N 2 0 279.428 1.036 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001185609042 919677767 /nfs/dbraw/zinc/67/77/67/919677767.db2.gz BOEQGVYLSBCSPE-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001185660142 919698722 /nfs/dbraw/zinc/69/87/22/919698722.db2.gz YQAQRZDJQZVWAE-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001072979865 936714493 /nfs/dbraw/zinc/71/44/93/936714493.db2.gz ONGIKPFXUFOVGH-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190445579 921998332 /nfs/dbraw/zinc/99/83/32/921998332.db2.gz ZBDOEJNPLZBSCF-CABCVRRESA-N 2 0 297.418 1.222 20 30 CDEDRP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001190491287 922047693 /nfs/dbraw/zinc/04/76/93/922047693.db2.gz FKZJHUFAAYLCMM-JKSUJKDBSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001033466070 922223129 /nfs/dbraw/zinc/22/31/29/922223129.db2.gz CKDJXNVVMCSLMT-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033475474 922233124 /nfs/dbraw/zinc/23/31/24/922233124.db2.gz PSYGUBXXKJDABA-INIZCTEOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001190996689 922366488 /nfs/dbraw/zinc/36/64/88/922366488.db2.gz HVZWHGWOIXUVBG-CQSZACIVSA-N 2 0 281.444 1.826 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128784886 922433149 /nfs/dbraw/zinc/43/31/49/922433149.db2.gz OCZOUVKPXQXNJK-AWEZNQCLSA-N 2 0 267.417 1.533 20 30 CDEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111464223 936773830 /nfs/dbraw/zinc/77/38/30/936773830.db2.gz NAONIUXWDDNDTO-KFWWJZLASA-N 2 0 279.428 1.624 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001036268436 923134007 /nfs/dbraw/zinc/13/40/07/923134007.db2.gz RTRQKJDTTCUMIO-KBPBESRZSA-N 2 0 277.412 1.095 20 30 CDEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001005994882 923665400 /nfs/dbraw/zinc/66/54/00/923665400.db2.gz DOLNOQKCFKFIBB-GDBMZVCRSA-N 2 0 291.439 1.130 20 30 CDEDRP C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001079495081 924342434 /nfs/dbraw/zinc/34/24/34/924342434.db2.gz XOIKVZWJNDXHJN-RAIGVLPGSA-N 2 0 285.819 1.270 20 30 CDEDRP C#CCN1CC[C@@]2(CCC[N@@H+](CCC[NH+](C)C)CC2)C1=O ZINC001273712499 924812770 /nfs/dbraw/zinc/81/27/70/924812770.db2.gz WZBKKTIGKYHWMF-KRWDZBQOSA-N 2 0 291.439 1.276 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001101026647 936952571 /nfs/dbraw/zinc/95/25/71/936952571.db2.gz SQZLLUAQXVDKHL-UHFFFAOYSA-N 2 0 279.428 1.533 20 30 CDEDRP C=CCOCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001101036086 936952806 /nfs/dbraw/zinc/95/28/06/936952806.db2.gz IAYMHZFUTXEXOC-UHFFFAOYSA-N 2 0 297.443 1.014 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001084410094 925255331 /nfs/dbraw/zinc/25/53/31/925255331.db2.gz XRGIPUALOPSCRS-GDBMZVCRSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047264 937039637 /nfs/dbraw/zinc/03/96/37/937039637.db2.gz AIPSFLNCVAUXBJ-YUELXQCFSA-N 2 0 279.428 1.197 20 30 CDEDRP CC#CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001085589327 926195811 /nfs/dbraw/zinc/19/58/11/926195811.db2.gz JLRUOUFUFFXTNV-HOTGVXAUSA-N 2 0 291.439 1.415 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001201117574 926200112 /nfs/dbraw/zinc/20/01/12/926200112.db2.gz AFIBVNLSCDHLKZ-INIZCTEOSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001201440770 926307228 /nfs/dbraw/zinc/30/72/28/926307228.db2.gz IXRTVZIDBBJDDB-UHFFFAOYSA-N 2 0 289.423 1.219 20 30 CDEDRP Cn1cc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c(C#N)n1 ZINC001201654056 926376363 /nfs/dbraw/zinc/37/63/63/926376363.db2.gz HQUJAHXVHTYOSB-UHFFFAOYSA-N 2 0 297.366 1.182 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001086122803 926726120 /nfs/dbraw/zinc/72/61/20/926726120.db2.gz YODWMDWSLSNPJB-MJBXVCDLSA-N 2 0 299.846 1.708 20 30 CDEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001103003238 937110633 /nfs/dbraw/zinc/11/06/33/937110633.db2.gz KPWDXTHOQJBDEZ-KLHDSHLOSA-N 2 0 291.439 1.034 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001086401961 927079746 /nfs/dbraw/zinc/07/97/46/927079746.db2.gz BXBOJWSPNHAPIL-MGPQQGTHSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103380247 937138651 /nfs/dbraw/zinc/13/86/51/937138651.db2.gz LNVNDHLEBXAUDE-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103407799 937141037 /nfs/dbraw/zinc/14/10/37/937141037.db2.gz UWDMFQRKHBQXNM-BZUAXINKSA-N 2 0 295.471 1.833 20 30 CDEDRP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001150351395 937229005 /nfs/dbraw/zinc/22/90/05/937229005.db2.gz YBEVMZLCZZKUSD-CABCVRRESA-N 2 0 297.443 1.110 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CCC)C2 ZINC001108804456 928645374 /nfs/dbraw/zinc/64/53/74/928645374.db2.gz SIPNVOYQWLYHHI-ZNMIVQPWSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001252486847 928659685 /nfs/dbraw/zinc/65/96/85/928659685.db2.gz JBSIBAMJFCPVLU-HUUCEWRRSA-N 2 0 272.433 1.650 20 30 CDEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001169991722 928865801 /nfs/dbraw/zinc/86/58/01/928865801.db2.gz QNXTZUTZPCTHFU-HUUCEWRRSA-N 2 0 297.443 1.158 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001112961607 929603832 /nfs/dbraw/zinc/60/38/32/929603832.db2.gz DJPTZJLRMFYJQR-HNNXBMFYSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001115304122 937346559 /nfs/dbraw/zinc/34/65/59/937346559.db2.gz OUDWGLSDSZGTDQ-AIANPOQGSA-N 2 0 293.455 1.728 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369878 929718089 /nfs/dbraw/zinc/71/80/89/929718089.db2.gz UFJLFRHPWNGNDD-CABCVRRESA-N 2 0 293.455 1.757 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584959 929798654 /nfs/dbraw/zinc/79/86/54/929798654.db2.gz YHLKQWVKMLADAF-KBPBESRZSA-N 2 0 279.428 1.367 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152464549 937364794 /nfs/dbraw/zinc/36/47/94/937364794.db2.gz WCHNBHCUPPPRSX-AWEZNQCLSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135080951 930041978 /nfs/dbraw/zinc/04/19/78/930041978.db2.gz DTWTWNIUQGZSNM-GJZGRUSLSA-N 2 0 293.455 1.757 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCCCC1 ZINC001115571600 937395170 /nfs/dbraw/zinc/39/51/70/937395170.db2.gz GRTXLVZFNFKZOK-UHFFFAOYSA-N 2 0 291.439 1.513 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001135473897 930219137 /nfs/dbraw/zinc/21/91/37/930219137.db2.gz AETOVAHCXIJDLT-AWEZNQCLSA-N 2 0 267.417 1.082 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135607543 930288985 /nfs/dbraw/zinc/28/89/85/930288985.db2.gz AHZNOZLDBJFYOF-ZIAGYGMSSA-N 2 0 281.444 1.777 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135745956 930392963 /nfs/dbraw/zinc/39/29/63/930392963.db2.gz CNSLTZKAKTYUJF-KGLIPLIRSA-N 2 0 267.417 1.224 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCCCCC[NH+]1CCCC1 ZINC000818337783 930706716 /nfs/dbraw/zinc/70/67/16/930706716.db2.gz RQUNONLORKUZOW-UHFFFAOYSA-N 2 0 267.417 1.487 20 30 CDEDRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000819366681 930799478 /nfs/dbraw/zinc/79/94/78/930799478.db2.gz SHLDVNWQLDHTEY-NVXWUHKLSA-N 2 0 287.407 1.913 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153490828 937448188 /nfs/dbraw/zinc/44/81/88/937448188.db2.gz DCBNVCYXCBVDOA-RBSFLKMASA-N 2 0 281.444 1.729 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000104168629 931322662 /nfs/dbraw/zinc/32/26/62/931322662.db2.gz GZXZQKKMFWQGTJ-OKILXGFUSA-N 2 0 266.433 1.835 20 30 CDEDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2CCc1ccc(C#N)cc1 ZINC001274920820 931611593 /nfs/dbraw/zinc/61/15/93/931611593.db2.gz QBERGMFMIAJNQV-HDICACEKSA-N 2 0 298.434 1.421 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001091377783 932121566 /nfs/dbraw/zinc/12/15/66/932121566.db2.gz AFZCQYCURAPEJU-GPANFISMSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146396584 932244547 /nfs/dbraw/zinc/24/45/47/932244547.db2.gz BEPMLSSLEBBRAU-HOTGVXAUSA-N 2 0 293.455 1.759 20 30 CDEDRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001146719253 932289071 /nfs/dbraw/zinc/28/90/71/932289071.db2.gz NBYNGTDEWVTTNM-UHFFFAOYSA-N 2 0 287.407 1.086 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001095499020 932626848 /nfs/dbraw/zinc/62/68/48/932626848.db2.gz NFOGTJADRYTUGG-FXUDXRNXSA-N 2 0 291.439 1.768 20 30 CDEDRP C[C@H](CC(C)(C)C#N)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000926358203 932982935 /nfs/dbraw/zinc/98/29/35/932982935.db2.gz WHNMUBBPACUMGJ-CQSZACIVSA-N 2 0 280.460 1.930 20 30 CDEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778148 934962112 /nfs/dbraw/zinc/96/21/12/934962112.db2.gz FUBOERLSYCOGNY-TTZDDIAXSA-N 2 0 279.428 1.339 20 30 CDEDRP C[C@@H]1CCCC[N@@H+]1CCC[NH+]=C(N(C)C)N(C)C ZINC000303782263 935043631 /nfs/dbraw/zinc/04/36/31/935043631.db2.gz NBKNVXWTEYSQPA-CYBMUJFWSA-N 2 0 254.422 1.730 20 30 CDEDRP C[NH+](C)Cc1cccc(CNC(=[NH2+])N2CCSCC2)c1 ZINC000303880172 935046072 /nfs/dbraw/zinc/04/60/72/935046072.db2.gz HADGAQVCVJKQJU-UHFFFAOYSA-N 2 0 292.452 1.612 20 30 CDEDRP CCCCNC(=[NH2+])NCC1(C[NH+](C)C)CCCC1 ZINC000305832856 935220205 /nfs/dbraw/zinc/22/02/05/935220205.db2.gz VFDLPMJPJOCBGP-UHFFFAOYSA-N 2 0 254.422 1.813 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001007949116 935394885 /nfs/dbraw/zinc/39/48/85/935394885.db2.gz KAQLCHRVSREQSJ-OAHLLOKOSA-N 2 0 296.374 1.552 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014415746 935537425 /nfs/dbraw/zinc/53/74/25/935537425.db2.gz VXZKPJWBXUPSAW-HUUCEWRRSA-N 2 0 277.412 1.073 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015387505 935567233 /nfs/dbraw/zinc/56/72/33/935567233.db2.gz LWKNGHNIEAZQRU-HZPDHXFCSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001016544216 935617555 /nfs/dbraw/zinc/61/75/55/935617555.db2.gz UUJQFLRFNWLGEB-LSDHHAIUSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001016974982 935628165 /nfs/dbraw/zinc/62/81/65/935628165.db2.gz OKSZNYSTESTCSW-CQSZACIVSA-N 2 0 277.412 1.239 20 30 CDEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001017884273 935653699 /nfs/dbraw/zinc/65/36/99/935653699.db2.gz XHYZOQCKAYICEL-IYBDPMFKSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CCc2cncn2C)[C@H](C)C1 ZINC001044836990 935871403 /nfs/dbraw/zinc/87/14/03/935871403.db2.gz NKLZFTPRNZLUEW-ZIAGYGMSSA-N 2 0 290.411 1.508 20 30 CDEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001096015376 935879284 /nfs/dbraw/zinc/87/92/84/935879284.db2.gz DIKDNLMAKZSLNW-WCVJEAGWSA-N 2 0 291.439 1.626 20 30 CDEDRP C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001096020545 935882334 /nfs/dbraw/zinc/88/23/34/935882334.db2.gz JQWJWPOQYKMUSC-ILXRZTDVSA-N 2 0 289.423 1.073 20 30 CDEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046322489 935941021 /nfs/dbraw/zinc/94/10/21/935941021.db2.gz BZJSLJKIPYNRJV-ZBFHGGJFSA-N 2 0 277.412 1.095 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001049368990 936141590 /nfs/dbraw/zinc/14/15/90/936141590.db2.gz LAHRALNVZIYPSE-OAGGEKHMSA-N 2 0 291.439 1.722 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC)CC1 ZINC001096605103 936192235 /nfs/dbraw/zinc/19/22/35/936192235.db2.gz ANBWXOXMJNSUSO-PMPSAXMXSA-N 2 0 289.423 1.073 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157710593 938534996 /nfs/dbraw/zinc/53/49/96/938534996.db2.gz IOIOPVXBKUVHHA-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001159909805 938759445 /nfs/dbraw/zinc/75/94/45/938759445.db2.gz NOJLTJKQIMSTAE-HNNXBMFYSA-N 2 0 277.412 1.123 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NCCC[NH2+]CCCC(C)C ZINC001160209144 938775197 /nfs/dbraw/zinc/77/51/97/938775197.db2.gz AIBWMCRBTPNRKZ-INIZCTEOSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161875250 938938856 /nfs/dbraw/zinc/93/88/56/938938856.db2.gz VIZZOLQJILIIJI-UHFFFAOYSA-N 2 0 277.412 1.407 20 30 CDEDRP C#CCC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001161946870 938946865 /nfs/dbraw/zinc/94/68/65/938946865.db2.gz JKGBTOTWRVYYTB-UHFFFAOYSA-N 2 0 291.439 1.488 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc(C#N)cn1 ZINC001163122388 939205829 /nfs/dbraw/zinc/20/58/29/939205829.db2.gz IVICARDSONDIFI-UHFFFAOYSA-N 2 0 260.345 1.231 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165270012 939537629 /nfs/dbraw/zinc/53/76/29/939537629.db2.gz AMDKEPFWNAUNJE-UHFFFAOYSA-N 2 0 253.390 1.000 20 30 CDEDRP N#Cc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cn1 ZINC001205570746 939904544 /nfs/dbraw/zinc/90/45/44/939904544.db2.gz NYJARERNTPOZRF-AWEZNQCLSA-N 2 0 262.332 1.606 20 30 CDEDRP N#Cc1ccnc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205582749 939906013 /nfs/dbraw/zinc/90/60/13/939906013.db2.gz YQDSJKOTSFFNMJ-AWEZNQCLSA-N 2 0 262.332 1.606 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001206275413 940010539 /nfs/dbraw/zinc/01/05/39/940010539.db2.gz QZUGCFQDQGMNCY-HNNXBMFYSA-N 2 0 291.439 1.180 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001206281188 940011234 /nfs/dbraw/zinc/01/12/34/940011234.db2.gz DRXOJPXHTVNTEE-ZBFHGGJFSA-N 2 0 291.439 1.036 20 30 CDEDRP C=C(C)COc1ccccc1CN1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206468980 940044852 /nfs/dbraw/zinc/04/48/52/940044852.db2.gz MUFLEKACFGVFCH-LSDHHAIUSA-N 2 0 276.380 1.393 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001208330822 940320732 /nfs/dbraw/zinc/32/07/32/940320732.db2.gz GLILCOXJFUFWCH-AWEZNQCLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210221324 940672481 /nfs/dbraw/zinc/67/24/81/940672481.db2.gz ZRHBNXHWLZDZQL-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001215067453 940854176 /nfs/dbraw/zinc/85/41/76/940854176.db2.gz RVODPEFCYFUJOX-CZUORRHYSA-N 2 0 298.390 1.961 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215563827 940893680 /nfs/dbraw/zinc/89/36/80/940893680.db2.gz RGRSVLCPLRHACE-HUUCEWRRSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001215558720 940894200 /nfs/dbraw/zinc/89/42/00/940894200.db2.gz ZOKBERMONZGSRS-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OCC1(C(=O)OC)CC[NH2+]CC1 ZINC001217933204 941030360 /nfs/dbraw/zinc/03/03/60/941030360.db2.gz IKBULTKOETVGDV-ZIAGYGMSSA-N 2 0 296.411 1.243 20 30 CDEDRP C[C@@]1(C(=O)Nc2sc3c(c2C#N)CC[NH2+]C3)CC[NH2+]C1 ZINC001218552639 941235998 /nfs/dbraw/zinc/23/59/98/941235998.db2.gz JUBWDPWUOOCFQA-CQSZACIVSA-N 2 0 290.392 1.204 20 30 CDEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1ccsc1C#N ZINC001218623974 941246673 /nfs/dbraw/zinc/24/66/73/941246673.db2.gz FIAOQMDRPAEPGV-JTQLQIEISA-N 2 0 280.397 1.617 20 30 CDEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1occ(C)c1C#N ZINC001218765121 941268127 /nfs/dbraw/zinc/26/81/27/941268127.db2.gz UDQFIICDMAVLFA-NSHDSACASA-N 2 0 264.329 1.115 20 30 CDEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccc2c(C#N)c[nH]c2c1 ZINC001219044819 941302834 /nfs/dbraw/zinc/30/28/34/941302834.db2.gz MNYNDWMFWSCHHI-AWEZNQCLSA-N 2 0 299.378 1.695 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C1 ZINC001220779105 941471935 /nfs/dbraw/zinc/47/19/35/941471935.db2.gz MCZFJAYQYGZWGL-ZNMIVQPWSA-N 2 0 263.385 1.215 20 30 CDEDRP C#C[C@](C)([NH3+])C(=O)N(CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221188161 941501678 /nfs/dbraw/zinc/50/16/78/941501678.db2.gz PZPUQFWBJJCGBD-YDHLFZDLSA-N 2 0 265.401 1.092 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791426 941551303 /nfs/dbraw/zinc/55/13/03/941551303.db2.gz KKUVPTJNSGRUGZ-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP N#Cc1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001222085804 941561523 /nfs/dbraw/zinc/56/15/23/941561523.db2.gz LQFLQXUNEWEOLJ-UHFFFAOYSA-N 2 0 270.380 1.086 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001225541994 941877316 /nfs/dbraw/zinc/87/73/16/941877316.db2.gz FTFWITCGXDKLQF-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001225564262 941881053 /nfs/dbraw/zinc/88/10/53/941881053.db2.gz RCADAEWNHPUKGG-UHFFFAOYSA-N 2 0 291.439 1.324 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001316604428 942462258 /nfs/dbraw/zinc/46/22/58/942462258.db2.gz MASIXCZXFFVBOH-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP CC[NH+]1CCC(C[NH2+]Cc2ccc(C#N)cn2)CC1 ZINC001474559216 971008877 /nfs/dbraw/zinc/00/88/77/971008877.db2.gz FNZQPHBDMRWSCX-UHFFFAOYSA-N 2 0 258.369 1.775 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC001263105260 943747976 /nfs/dbraw/zinc/74/79/76/943747976.db2.gz IYARIYINTPXUCK-CQSZACIVSA-N 2 0 277.368 1.646 20 30 CDEDRP N#Cc1ccc(CN(CC[NH3+])CC[NH3+])cc1Br ZINC001235880788 944307147 /nfs/dbraw/zinc/30/71/47/944307147.db2.gz PGLUKQWITMLJIX-UHFFFAOYSA-N 2 0 297.200 1.040 20 30 CDEDRP N#Cc1cc(-c2cnc3c(c2)C[NH2+]CC3)cc(C2C[NH2+]C2)c1 ZINC001240351370 945799688 /nfs/dbraw/zinc/79/96/88/945799688.db2.gz SQQUYZPPIPOBEY-UHFFFAOYSA-N 2 0 290.370 1.953 20 30 CDEDRP CCCCCCCC[C@@H](O)C[NH2+]CCN1CC[NH2+]CC1 ZINC001245984416 947880188 /nfs/dbraw/zinc/88/01/88/947880188.db2.gz XDZFOUBGBHBWGU-MRXNPFEDSA-N 2 0 285.476 1.593 20 30 CDEDRP CCCCCCCC[C@H](O)C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001245987215 947882635 /nfs/dbraw/zinc/88/26/35/947882635.db2.gz XVNBJJLCSRXWFC-BYNSBNAKSA-N 2 0 254.418 1.905 20 30 CDEDRP [NH2+]=C(N[C@@H]1CCC[NH2+]C1)c1ccc2ccccc2n1 ZINC001246305477 948095124 /nfs/dbraw/zinc/09/51/24/948095124.db2.gz HYTXDYSKZZBRQP-GFCCVEGCSA-N 2 0 254.337 1.692 20 30 CDEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1CC[NH2+][C@H](CC)C1 ZINC001246302632 948095185 /nfs/dbraw/zinc/09/51/85/948095185.db2.gz DQLKOHOEMOODLW-ILXRZTDVSA-N 2 0 297.443 1.333 20 30 CDEDRP NC(=O)c1ccc(C(=[NH2+])NC2CC[NH+](C3CC3)CC2)cc1 ZINC001256070678 948194558 /nfs/dbraw/zinc/19/45/58/948194558.db2.gz AVMMIKSIPOUSIN-UHFFFAOYSA-N 2 0 286.379 1.118 20 30 CDEDRP C=CCN1CC[NH+](C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256694822 948401749 /nfs/dbraw/zinc/40/17/49/948401749.db2.gz FZUHHIRTFHZWQC-UHFFFAOYSA-N 2 0 293.455 1.433 20 30 CDEDRP C=C[C@](C)(O)C[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001252572420 951467155 /nfs/dbraw/zinc/46/71/55/951467155.db2.gz QAVVLLQCNPVTIQ-KRWDZBQOSA-N 2 0 289.423 1.465 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH3+] ZINC001335263445 959666916 /nfs/dbraw/zinc/66/69/16/959666916.db2.gz HGIOYBUGMDIMBJ-AWEZNQCLSA-N 2 0 261.369 1.445 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)CCC ZINC001419426580 961690140 /nfs/dbraw/zinc/69/01/40/961690140.db2.gz QBBUWDQKVXPRPZ-CYBMUJFWSA-N 2 0 287.835 1.661 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC001340128677 962762723 /nfs/dbraw/zinc/76/27/23/962762723.db2.gz NYLNGODOSOQHRE-GXTWGEPZSA-N 2 0 288.395 1.520 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001340946632 963206853 /nfs/dbraw/zinc/20/68/53/963206853.db2.gz XYAPGPSTONCVAW-HUUCEWRRSA-N 2 0 299.459 1.559 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001341945213 963586440 /nfs/dbraw/zinc/58/64/40/963586440.db2.gz XTFWEAYTBVLIKA-JKSUJKDBSA-N 2 0 287.407 1.843 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001342109401 963640933 /nfs/dbraw/zinc/64/09/33/963640933.db2.gz XLVMWILJFKZRCQ-RRFJBIMHSA-N 2 0 273.380 1.411 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001442278168 964969723 /nfs/dbraw/zinc/96/97/23/964969723.db2.gz ZJDZDRNAYCBHHK-CYBMUJFWSA-N 2 0 299.846 1.852 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001446295446 966508660 /nfs/dbraw/zinc/50/86/60/966508660.db2.gz IBYFVSPKBJYWMP-UHFFFAOYSA-N 2 0 299.846 1.853 20 30 CDEDRP C[NH+]=C(NCC[N@H+](C)C(C)C)NCc1ccco1 ZINC000849000993 969394049 /nfs/dbraw/zinc/39/40/49/969394049.db2.gz NASBPUNMOPEZTO-UHFFFAOYSA-N 2 0 252.362 1.285 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC001357491379 969608381 /nfs/dbraw/zinc/60/83/81/969608381.db2.gz XDVVVTDSMCDYET-ZFWWWQNUSA-N 2 0 281.444 1.859 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001498769807 974056798 /nfs/dbraw/zinc/05/67/98/974056798.db2.gz JYLLOSZJIGALEO-CQSZACIVSA-N 2 0 299.846 1.708 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001376946860 974827493 /nfs/dbraw/zinc/82/74/93/974827493.db2.gz XYQXYNPPXXFGRK-STQMWFEESA-N 2 0 287.835 1.517 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001403232094 976828223 /nfs/dbraw/zinc/82/82/23/976828223.db2.gz PDSLTIYBIWZCIT-ZDUSSCGKSA-N 2 0 299.846 1.661 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132284110 1163222335 /nfs/dbraw/zinc/22/23/35/1163222335.db2.gz WLIPKXXSZMUUAN-UHFFFAOYSA-N 2 0 253.390 1.143 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132279563 1163226388 /nfs/dbraw/zinc/22/63/88/1163226388.db2.gz ZAHJBXSJMXJRDQ-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP CC#CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132411195 1163277961 /nfs/dbraw/zinc/27/79/61/1163277961.db2.gz VRBYGHGNGRKQFM-LSDHHAIUSA-N 2 0 279.428 1.321 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001133275604 1163622349 /nfs/dbraw/zinc/62/23/49/1163622349.db2.gz VEQJYTBOGGALHJ-CVEARBPZSA-N 2 0 293.455 1.426 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001133315645 1163638847 /nfs/dbraw/zinc/63/88/47/1163638847.db2.gz WAYWSDMXKRRUSQ-HOTGVXAUSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CCCC(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000588033179 342491120 /nfs/dbraw/zinc/49/11/20/342491120.db2.gz IZODUVDCAVOGTN-UHFFFAOYSA-N 2 0 274.368 1.738 20 30 CDEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCN1CC[NH2+]CC1 ZINC000591577125 342637796 /nfs/dbraw/zinc/63/77/96/342637796.db2.gz KRACNYVWRSUCNN-GOSISDBHSA-N 2 0 298.434 1.821 20 30 CDEDRP CNC(=[NH2+])NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000091517983 342404879 /nfs/dbraw/zinc/40/48/79/342404879.db2.gz LNAYBFPAJFZGSU-UHFFFAOYSA-N 2 0 290.411 1.238 20 30 CDEDRP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000600768896 349879516 /nfs/dbraw/zinc/87/95/16/349879516.db2.gz HQFFBJQXVKRWLA-QWHCGFSZSA-N 2 0 259.353 1.973 20 30 CDEDRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598718386 343882617 /nfs/dbraw/zinc/88/26/17/343882617.db2.gz AVASOMSYCUSHIS-KBPBESRZSA-N 2 0 267.417 1.609 20 30 CDEDRP C[NH+]1CCC(CC[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598720782 343883574 /nfs/dbraw/zinc/88/35/74/343883574.db2.gz QSJZRBXJEXIISA-CQSZACIVSA-N 2 0 267.417 1.609 20 30 CDEDRP C[N@H+](C[C@@H](O)CC(C)(C)C#N)C[C@H]1CC[NH+](C)C1 ZINC000598701819 343889586 /nfs/dbraw/zinc/88/95/86/343889586.db2.gz NIPYDHLDKXTBDV-STQMWFEESA-N 2 0 253.390 1.171 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000491663449 347585839 /nfs/dbraw/zinc/58/58/39/347585839.db2.gz MVWAJXNHJFYCDA-INIZCTEOSA-N 2 0 293.455 1.568 20 30 CDEDRP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[NH+]1CCCC1 ZINC000491695629 347587033 /nfs/dbraw/zinc/58/70/33/347587033.db2.gz NAMJFQDUHDBFLV-UHFFFAOYSA-N 2 0 299.418 1.512 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCc2cn3ccccc3n2)CC1 ZINC000057142411 348831248 /nfs/dbraw/zinc/83/12/48/348831248.db2.gz BTIQQTAOQUZLTM-UHFFFAOYSA-N 2 0 296.374 1.296 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C)s1 ZINC000264088584 362964339 /nfs/dbraw/zinc/96/43/39/362964339.db2.gz KIULEVOQCMAVSM-LBPRGKRZSA-N 2 0 280.441 1.945 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1O ZINC000264121434 362973372 /nfs/dbraw/zinc/97/33/72/362973372.db2.gz RGRLOOLAWFVJMU-ZDUSSCGKSA-N 2 0 276.384 1.281 20 30 CDEDRP CCCNC(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179738078 357222691 /nfs/dbraw/zinc/22/26/91/357222691.db2.gz MRRGLXPWRRHDCI-UHFFFAOYSA-N 2 0 275.400 1.612 20 30 CDEDRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000181703199 357375632 /nfs/dbraw/zinc/37/56/32/357375632.db2.gz BACPFDSZJOIQOT-LSDHHAIUSA-N 2 0 286.423 1.845 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C(CC)(CC)C[NH3+])CC1 ZINC000262049226 359130067 /nfs/dbraw/zinc/13/00/67/359130067.db2.gz UVLOUCMDOMWBPB-UHFFFAOYSA-N 2 0 267.417 1.518 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000365306469 359299791 /nfs/dbraw/zinc/29/97/91/359299791.db2.gz DTCQPCDBIYDERY-MRXNPFEDSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CCNC(=O)[C@H](C)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157346776 360847554 /nfs/dbraw/zinc/84/75/54/360847554.db2.gz QOGDUFPCRRCQBL-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP CC(C)(CCC#N)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000304370739 370732042 /nfs/dbraw/zinc/73/20/42/370732042.db2.gz ZUNXWYMYMKCHSZ-CYBMUJFWSA-N 2 0 253.390 1.363 20 30 CDEDRP CC1CC[NH+](CCCNC(=[NH2+])Nc2ccccn2)CC1 ZINC000170908639 365159420 /nfs/dbraw/zinc/15/94/20/365159420.db2.gz KLJHKHZTOVTQIW-UHFFFAOYSA-N 2 0 275.400 1.930 20 30 CDEDRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])Nc2ccccn2)C1 ZINC000170913357 365162513 /nfs/dbraw/zinc/16/25/13/365162513.db2.gz YXJWKZIRRWMMJA-LBPRGKRZSA-N 2 0 261.373 1.540 20 30 CDEDRP C=C(C)CN(CC)C(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375756074 370954494 /nfs/dbraw/zinc/95/44/94/370954494.db2.gz HWWGNBCSPCRACA-XYPWUTKMSA-N 2 0 293.455 1.968 20 30 CDEDRP N#Cc1ccc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000112839427 374230913 /nfs/dbraw/zinc/23/09/13/374230913.db2.gz XDYNYADYOYMNFJ-CVEARBPZSA-N 2 0 271.364 1.511 20 30 CDEDRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)N1CC[NH+](C)CC1 ZINC000248699640 377307644 /nfs/dbraw/zinc/30/76/44/377307644.db2.gz ABRYRAFXLKQKMQ-ZACQAIPSSA-N 2 0 292.471 1.930 20 30 CDEDRP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992471491 781989393 /nfs/dbraw/zinc/98/93/93/781989393.db2.gz BZOZVSJTLGQIPN-ZMSDIMECSA-N 2 0 289.423 1.075 20 30 CDEDRP CCC[N@@H+]1CC[C@H](CNC(NCc2ccco2)=[NH+]C)C1 ZINC000103338309 390476095 /nfs/dbraw/zinc/47/60/95/390476095.db2.gz DXPWEEQQDKXWOH-CYBMUJFWSA-N 2 0 278.400 1.677 20 30 CDEDRP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000132161535 390890517 /nfs/dbraw/zinc/89/05/17/390890517.db2.gz IAEXXISNGRXSDH-CABCVRRESA-N 2 0 279.428 1.533 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000132162896 390890666 /nfs/dbraw/zinc/89/06/66/390890666.db2.gz GPLOHNPJLBDAMD-KGLIPLIRSA-N 2 0 265.401 1.143 20 30 CDEDRP C=C(C)CC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000351751521 391090910 /nfs/dbraw/zinc/09/09/10/391090910.db2.gz JACCKYJWESNGLZ-UHFFFAOYSA-N 2 0 253.434 1.910 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339426416 391299157 /nfs/dbraw/zinc/29/91/57/391299157.db2.gz LTIXMJNNUMGXEL-CABCVRRESA-N 2 0 252.402 1.731 20 30 CDEDRP C[C@H]1C[NH+]=C(NCc2ccc(OCC[NH+](C)C)cc2)N1 ZINC000262476878 391790725 /nfs/dbraw/zinc/79/07/25/391790725.db2.gz CFKRPVUVPNVOHR-LBPRGKRZSA-N 2 0 276.384 1.064 20 30 CDEDRP C[C@H]1C[NH+]=C(NCC2CC[NH+](Cc3cccs3)CC2)N1 ZINC000262660268 391808432 /nfs/dbraw/zinc/80/84/32/391808432.db2.gz MTDNZIQQJUDDFL-LBPRGKRZSA-N 2 0 292.452 1.897 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH+](C)C)CC1 ZINC000490616341 261170223 /nfs/dbraw/zinc/17/02/23/261170223.db2.gz KKAPCPMFSVICPX-INIZCTEOSA-N 2 0 291.439 1.274 20 30 CDEDRP C[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[NH+](C)C ZINC000288729557 263105703 /nfs/dbraw/zinc/10/57/03/263105703.db2.gz NKQBEQBLCTZGMU-MRVPVSSYSA-N 2 0 256.300 1.642 20 30 CDEDRP [NH2+]=C(NCCCN1CCOCC1)Nc1cc(F)ccc1F ZINC000288803035 263106123 /nfs/dbraw/zinc/10/61/23/263106123.db2.gz ZJZTTXLZICNSPK-UHFFFAOYSA-N 2 0 298.337 1.414 20 30 CDEDRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000330746986 264028685 /nfs/dbraw/zinc/02/86/85/264028685.db2.gz UMHQCCPVCFNYDM-GFCCVEGCSA-N 2 0 298.431 1.087 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655446887 423865078 /nfs/dbraw/zinc/86/50/78/423865078.db2.gz MBWNJDOFDMBJHN-GOEBONIOSA-N 2 0 277.412 1.143 20 30 CDEDRP C=CCC[C@H](CC)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291261 424498373 /nfs/dbraw/zinc/49/83/73/424498373.db2.gz YMYNULPTFSMDGI-JTQLQIEISA-N 2 0 250.346 1.475 20 30 CDEDRP CSCC[NH+](C)CC#CC[N@@H+](C)CCSC ZINC000357652553 266339859 /nfs/dbraw/zinc/33/98/59/266339859.db2.gz MESQHHCPVBVBKN-UHFFFAOYSA-N 2 0 260.472 1.579 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000370683775 267338553 /nfs/dbraw/zinc/33/85/53/267338553.db2.gz ZUCDTVFQTWYUDK-CQSZACIVSA-N 2 0 265.401 1.191 20 30 CDEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCCC#N ZINC000371292623 267383770 /nfs/dbraw/zinc/38/37/70/267383770.db2.gz CNODBCWMKXTDEZ-ILXRZTDVSA-N 2 0 265.401 1.864 20 30 CDEDRP C[NH+]=C(NCc1nccs1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261945709 328143221 /nfs/dbraw/zinc/14/32/21/328143221.db2.gz FTKZJTXVYMCDIU-CMPLNLGQSA-N 2 0 293.440 1.291 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C)nc1 ZINC000264078818 328157366 /nfs/dbraw/zinc/15/73/66/328157366.db2.gz GQLRQUSTQHBRDM-AWEZNQCLSA-N 2 0 275.400 1.279 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@]1(C)CCCS1 ZINC000262352768 330007600 /nfs/dbraw/zinc/00/76/00/330007600.db2.gz FKFAQILKMHVKPZ-JSGCOSHPSA-N 2 0 284.473 1.661 20 30 CDEDRP C[NH+]=C(NCC1(C)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262354773 330007654 /nfs/dbraw/zinc/00/76/54/330007654.db2.gz FTGSJKPMYHAYLM-CYBMUJFWSA-N 2 0 262.401 1.308 20 30 CDEDRP C[C@H]1C[NH+]=C(NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)N1 ZINC000262634671 330023703 /nfs/dbraw/zinc/02/37/03/330023703.db2.gz GLWCOJMDYXVKDF-ZFWWWQNUSA-N 2 0 278.444 1.968 20 30 CDEDRP C=CCN1CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422863544 330158041 /nfs/dbraw/zinc/15/80/41/330158041.db2.gz RXPMSRJOATXXIL-UKRRQHHQSA-N 2 0 251.418 1.744 20 30 CDEDRP C=C(C)CN1CCC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422979619 330162464 /nfs/dbraw/zinc/16/24/64/330162464.db2.gz NFTJTQNCMRPWHQ-UKRRQHHQSA-N 2 0 251.418 1.744 20 30 CDEDRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]([NH3+])CCCC#N)C[C@@H]1C ZINC000424142132 330284094 /nfs/dbraw/zinc/28/40/94/330284094.db2.gz HXMKIRYFIAICML-IHRRRGAJSA-N 2 0 280.416 1.339 20 30 CDEDRP CC(C)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424143595 330288067 /nfs/dbraw/zinc/28/80/67/330288067.db2.gz ZVSUJBCWSNSOBB-AWEZNQCLSA-N 2 0 280.416 1.244 20 30 CDEDRP C[NH+](C)CC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C(C)(C)C ZINC000424147554 330293833 /nfs/dbraw/zinc/29/38/33/330293833.db2.gz ROVCHRFMKNVQAW-CHWSQXEVSA-N 2 0 282.432 1.490 20 30 CDEDRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424157097 330304665 /nfs/dbraw/zinc/30/46/65/330304665.db2.gz PDLKKELHLHESCU-LJISPDSOSA-N 2 0 294.443 1.490 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000424180307 330321010 /nfs/dbraw/zinc/32/10/10/330321010.db2.gz VEXWNWTYKRXQSA-OAHLLOKOSA-N 2 0 288.395 1.038 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000490781171 332115683 /nfs/dbraw/zinc/11/56/83/332115683.db2.gz XWKSEONQBMZLPO-CVEARBPZSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCNC(=O)CC[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000491203525 332165649 /nfs/dbraw/zinc/16/56/49/332165649.db2.gz XDKPWGIUZBXQAY-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])NCCCCCC ZINC000491785100 332348231 /nfs/dbraw/zinc/34/82/31/332348231.db2.gz ROYLDJJGZYAOTA-UHFFFAOYSA-N 2 0 252.406 1.636 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000174666553 333005471 /nfs/dbraw/zinc/00/54/71/333005471.db2.gz KDGBKJQMCJKHDL-UHFFFAOYSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001024367291 1159400484 /nfs/dbraw/zinc/40/04/84/1159400484.db2.gz ZFRLGBABSYQUDR-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001024365757 1159400805 /nfs/dbraw/zinc/40/08/05/1159400805.db2.gz HHCKXELYVJWKLI-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024634781 1159423464 /nfs/dbraw/zinc/42/34/64/1159423464.db2.gz YMCNWUWSDBRIFP-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000985604315 1160367709 /nfs/dbraw/zinc/36/77/09/1160367709.db2.gz GGBDLPDHAYMQPP-GJZGRUSLSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000359291243 483029498 /nfs/dbraw/zinc/02/94/98/483029498.db2.gz MKGCYZVTIOLCTM-CQSZACIVSA-N 2 0 292.427 1.173 20 30 CDEDRP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089559419 1161219004 /nfs/dbraw/zinc/21/90/04/1161219004.db2.gz OIJFYGPKIJCMDF-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C[C@@H]1CC(=NNCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000741461497 576560054 /nfs/dbraw/zinc/56/00/54/576560054.db2.gz JERAGESMNQPRFP-CYBMUJFWSA-N 2 0 252.406 1.532 20 30 CDEDRP C[NH+]1CCN(c2ccc(C=[NH+]NC3CC3)cc2)CC1 ZINC000758132072 577073358 /nfs/dbraw/zinc/07/33/58/577073358.db2.gz BKDYEIVRWWACAA-UHFFFAOYSA-N 2 0 258.369 1.524 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000945180120 613131707 /nfs/dbraw/zinc/13/17/07/613131707.db2.gz KQLUPDMSFVFMAU-ZBFHGGJFSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000968867474 613148025 /nfs/dbraw/zinc/14/80/25/613148025.db2.gz WWEMVDUENYWLKC-OWCLPIDISA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970874164 613249227 /nfs/dbraw/zinc/24/92/27/613249227.db2.gz JCNNRRUZQIMUJD-UONOGXRCSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000957761929 613257876 /nfs/dbraw/zinc/25/78/76/613257876.db2.gz TYLXFPYJJTVNBB-IYBDPMFKSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[N@@H+]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000981962478 613308277 /nfs/dbraw/zinc/30/82/77/613308277.db2.gz NIBAUVSWTPOVOJ-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000980833530 613310895 /nfs/dbraw/zinc/31/08/95/613310895.db2.gz IAHHFJBAAIAVPW-CQSZACIVSA-N 2 0 265.401 1.191 20 30 CDEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000970163096 613484189 /nfs/dbraw/zinc/48/41/89/613484189.db2.gz LKIWNCGTDQMBGF-CYBMUJFWSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CCC[N@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000981873665 613492233 /nfs/dbraw/zinc/49/22/33/613492233.db2.gz QPNFCZWZFBOURK-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000980477972 613611559 /nfs/dbraw/zinc/61/15/59/613611559.db2.gz LFXAIZQNVXGUGC-OAHLLOKOSA-N 2 0 279.428 1.581 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000971522247 613630787 /nfs/dbraw/zinc/63/07/87/613630787.db2.gz JJFKEBFWQNTZEA-GJZGRUSLSA-N 2 0 279.428 1.578 20 30 CDEDRP C=CC[NH+]1CCCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982112790 613678202 /nfs/dbraw/zinc/67/82/02/613678202.db2.gz DJQHNOUTXAZNGQ-OAHLLOKOSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969115851 613683068 /nfs/dbraw/zinc/68/30/68/613683068.db2.gz VSXYZPXPYISCRS-OAHLLOKOSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000959852964 613839025 /nfs/dbraw/zinc/83/90/25/613839025.db2.gz XWZKCHRRLAHSRX-LJISPDSOSA-N 2 0 277.412 1.092 20 30 CDEDRP C=CC[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000963912374 613859421 /nfs/dbraw/zinc/85/94/21/613859421.db2.gz KLZIEKPCWJYILB-QQFBHYJXSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000891522664 617459556 /nfs/dbraw/zinc/45/95/56/617459556.db2.gz TUAWGWMJRFHIAE-ZBFHGGJFSA-N 2 0 292.427 1.221 20 30 CDEDRP C#CC[C@H](CO)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000895491271 619692607 /nfs/dbraw/zinc/69/26/07/619692607.db2.gz ZYYBBMBNJLLHIH-BPQIPLTHSA-N 2 0 286.419 1.871 20 30 CDEDRP N#Cc1ccc(C2CC[NH+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)cc1 ZINC000903823204 626103572 /nfs/dbraw/zinc/10/35/72/626103572.db2.gz DDMADSWDRDRENJ-ULQDDVLXSA-N 2 0 285.391 1.588 20 30 CDEDRP C#CCCN1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000906483367 627294244 /nfs/dbraw/zinc/29/42/44/627294244.db2.gz GFPIPMGTJHIQEF-MRXNPFEDSA-N 2 0 291.439 1.276 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000911629006 629374355 /nfs/dbraw/zinc/37/43/55/629374355.db2.gz RXAYRGIXCNYULU-AWEZNQCLSA-N 2 0 269.433 1.933 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C ZINC000911724342 629441003 /nfs/dbraw/zinc/44/10/03/629441003.db2.gz KUBAQMORNYCLCM-ZIAGYGMSSA-N 2 0 269.433 1.885 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001020926137 1158535107 /nfs/dbraw/zinc/53/51/07/1158535107.db2.gz BQMMUBSPLPATSO-FPCVCCKLSA-N 2 0 293.455 1.920 20 30 CDEDRP C=CC[NH2+][C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001752913199 1161139226 /nfs/dbraw/zinc/13/92/26/1161139226.db2.gz INSGSCHMIOPRDB-GDBMZVCRSA-N 2 0 289.423 1.960 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133090375 1163568097 /nfs/dbraw/zinc/56/80/97/1163568097.db2.gz GZVUHKJNLLJXBK-CABCVRRESA-N 2 0 279.428 1.036 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001135474458 1164143763 /nfs/dbraw/zinc/14/37/63/1164143763.db2.gz QIBSEFWCRKNYGU-AWEZNQCLSA-N 2 0 267.417 1.082 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001135474642 1164143904 /nfs/dbraw/zinc/14/39/04/1164143904.db2.gz WMDFNHVICUKSPR-AWEZNQCLSA-N 2 0 269.433 1.635 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001567023784 1168517242 /nfs/dbraw/zinc/51/72/42/1168517242.db2.gz AAXNQZAUNQPERZ-KBPBESRZSA-N 2 0 269.433 1.633 20 30 CDEDRP N#CC1(C[NH2+]C2CC3(C2)CC[NH2+]CC3)CCOCC1 ZINC001580039088 1172329975 /nfs/dbraw/zinc/32/99/75/1172329975.db2.gz ZXTGGIIRZMHJIP-UHFFFAOYSA-N 2 0 263.385 1.429 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC(N[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC001580066915 1172340869 /nfs/dbraw/zinc/34/08/69/1172340869.db2.gz ZBPQCKQFOQHRGM-WOVMCDHWSA-N 2 0 284.407 1.602 20 30 CDEDRP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001732889268 1183172612 /nfs/dbraw/zinc/17/26/12/1183172612.db2.gz NSVZBRMVXMGDFJ-GXMNPTEKSA-N 2 0 265.401 1.309 20 30 CDEDRP C=CC[NH+]1CC[C@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001753339408 1183978266 /nfs/dbraw/zinc/97/82/66/1183978266.db2.gz QPUCXMTZSLAJRI-AWEZNQCLSA-N 2 0 267.417 1.342 20 30 CDEDRP CC#CC[NH2+][C@@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001752876511 1184946679 /nfs/dbraw/zinc/94/66/79/1184946679.db2.gz AHNVCMQYNAMYJT-LBPRGKRZSA-N 2 0 293.436 1.541 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753109260 1185067234 /nfs/dbraw/zinc/06/72/34/1185067234.db2.gz RKZMKAVVYXZUAV-OAHLLOKOSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[NH2+]CC[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001753559302 1185254454 /nfs/dbraw/zinc/25/44/54/1185254454.db2.gz NJOWFACFFAQLHT-CVEARBPZSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001753735704 1185322199 /nfs/dbraw/zinc/32/21/99/1185322199.db2.gz BMDWTJIKYJWCME-CVEARBPZSA-N 2 0 293.455 1.615 20 30 CDEDRP C=CCC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001754320601 1185576622 /nfs/dbraw/zinc/57/66/22/1185576622.db2.gz XUCVUVMZRVRHDO-AWEZNQCLSA-N 2 0 281.444 1.873 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CC ZINC001754468988 1185629260 /nfs/dbraw/zinc/62/92/60/1185629260.db2.gz BYDFIDFXJURWPY-GJZGRUSLSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001754611200 1185682596 /nfs/dbraw/zinc/68/25/96/1185682596.db2.gz UFIYNNSIVJLCKP-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001755029751 1185790636 /nfs/dbraw/zinc/79/06/36/1185790636.db2.gz PXFDTBDZNAYLGE-HOTGVXAUSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001755299698 1185903240 /nfs/dbraw/zinc/90/32/40/1185903240.db2.gz GKTCBJBAKJCCDS-MGPQQGTHSA-N 2 0 267.417 1.339 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001755592954 1186005154 /nfs/dbraw/zinc/00/51/54/1186005154.db2.gz OLWFQGBEQVZJCI-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001755893215 1186104488 /nfs/dbraw/zinc/10/44/88/1186104488.db2.gz MBCQKSFHNHDMSK-UHFFFAOYSA-N 2 0 291.439 1.653 20 30 CDEDRP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001135508687 1164147789 /nfs/dbraw/zinc/14/77/89/1164147789.db2.gz WAJKXTSWHJFTGN-UHFFFAOYSA-N 2 0 288.395 1.106 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001020926607 894752787 /nfs/dbraw/zinc/75/27/87/894752787.db2.gz GLWJKHRQBRRVIV-AJNGGQMLSA-N 2 0 279.428 1.530 20 30 CDEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1cncn1C ZINC001176174123 913977802 /nfs/dbraw/zinc/97/78/02/913977802.db2.gz BUTODHNQGQDIED-CQSZACIVSA-N 2 0 290.411 1.251 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001022070583 896062158 /nfs/dbraw/zinc/06/21/58/896062158.db2.gz XCNGGOBDSDHIOP-MJBXVCDLSA-N 2 0 265.401 1.282 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001167480874 896093324 /nfs/dbraw/zinc/09/33/24/896093324.db2.gz VIDVKOCDNUPCAB-UHFFFAOYSA-N 2 0 279.428 1.228 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001167481092 896103098 /nfs/dbraw/zinc/10/30/98/896103098.db2.gz ZWIWNKSMNHEKLA-UHFFFAOYSA-N 2 0 279.428 1.228 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001023275754 897469598 /nfs/dbraw/zinc/46/95/98/897469598.db2.gz SFERCQNWKKANGB-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001023273364 897470798 /nfs/dbraw/zinc/47/07/98/897470798.db2.gz LQVLEAIKKKQTME-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176563968 914181247 /nfs/dbraw/zinc/18/12/47/914181247.db2.gz IZFXYMLVXOQWBJ-GJZGRUSLSA-N 2 0 279.428 1.226 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001206281852 914236545 /nfs/dbraw/zinc/23/65/45/914236545.db2.gz NQHSDAHPZOLRBE-ZBFHGGJFSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001106784816 914301239 /nfs/dbraw/zinc/30/12/39/914301239.db2.gz NATXYOFZLZKQSK-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCOCC[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884729 914342623 /nfs/dbraw/zinc/34/26/23/914342623.db2.gz QPKQUGLGPHHPEH-UHFFFAOYSA-N 2 0 297.443 1.161 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106839609 914417942 /nfs/dbraw/zinc/41/79/42/914417942.db2.gz LEAPAAMRHIJUMQ-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001015705450 914433161 /nfs/dbraw/zinc/43/31/61/914433161.db2.gz LKAMKTONXHEPOP-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CC)C2)CC1 ZINC001027693915 900743582 /nfs/dbraw/zinc/74/35/82/900743582.db2.gz NBKYCBQRFRDFRN-MRXNPFEDSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001027879637 900925368 /nfs/dbraw/zinc/92/53/68/900925368.db2.gz VSDGVCRESGNHIF-JKSUJKDBSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001167812656 901040122 /nfs/dbraw/zinc/04/01/22/901040122.db2.gz SFFUQFTUXADNAH-UHFFFAOYSA-N 2 0 279.428 1.228 20 30 CDEDRP N#Cc1ccc2c(c1)ncnc2NC(=[NH2+])NCCCC[NH3+] ZINC001167877677 901600388 /nfs/dbraw/zinc/60/03/88/901600388.db2.gz JOCRSAUOIYGKQZ-UHFFFAOYSA-N 2 0 283.339 1.177 20 30 CDEDRP Cc1cc(CC#N)ccc1NC(=[NH2+])NCCCC[NH3+] ZINC001167881427 901636041 /nfs/dbraw/zinc/63/60/41/901636041.db2.gz GSDNPAJLPBZJHC-UHFFFAOYSA-N 2 0 259.357 1.736 20 30 CDEDRP N#CCc1c(F)cccc1NC(=[NH2+])NCCCC[NH3+] ZINC001167883955 901643227 /nfs/dbraw/zinc/64/32/27/901643227.db2.gz OIENKYBGWSTJKV-UHFFFAOYSA-N 2 0 263.320 1.567 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H]1CC ZINC001087725661 905793344 /nfs/dbraw/zinc/79/33/44/905793344.db2.gz YPHGBRFUJNCNTC-SOUVJXGZSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087827679 905879348 /nfs/dbraw/zinc/87/93/48/905879348.db2.gz FAEKIBFXFDNKCY-MELADBBJSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001088424826 907150472 /nfs/dbraw/zinc/15/04/72/907150472.db2.gz GWJZETQNTVATGU-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000989561921 908947024 /nfs/dbraw/zinc/94/70/24/908947024.db2.gz KXYJPSOMFRQQSI-RHSMWYFYSA-N 2 0 299.418 1.574 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076571388 909903648 /nfs/dbraw/zinc/90/36/48/909903648.db2.gz HXWGBTYGDREURC-LSDHHAIUSA-N 2 0 277.412 1.191 20 30 CDEDRP C[NH+]1CCC(C#N)(NC2CC[NH+](CC3CC3)CC2)CC1 ZINC001168369078 910314120 /nfs/dbraw/zinc/31/41/20/910314120.db2.gz VWRJPXYHJJFVFP-UHFFFAOYSA-N 2 0 276.428 1.438 20 30 CDEDRP C=CC[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cnc3C)CC[C@@H]21 ZINC001036879054 910618032 /nfs/dbraw/zinc/61/80/32/910618032.db2.gz GWZAUNOSVNYWFZ-ZFWWWQNUSA-N 2 0 288.395 1.369 20 30 CDEDRP C=C(C)CN1CC[C@@]2(CCC[N@@H+]2CC2CC[NH2+]CC2)C1=O ZINC001273029411 921677833 /nfs/dbraw/zinc/67/78/33/921677833.db2.gz CEIAPJXUQGUEID-KRWDZBQOSA-N 2 0 291.439 1.629 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033069822 921693044 /nfs/dbraw/zinc/69/30/44/921693044.db2.gz LMQNDZGQFAUDFP-HOTGVXAUSA-N 2 0 293.455 1.968 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001094936070 911857180 /nfs/dbraw/zinc/85/71/80/911857180.db2.gz VHLLSTFTANGYII-ZNMIVQPWSA-N 2 0 289.423 1.073 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001189907052 921709044 /nfs/dbraw/zinc/70/90/44/921709044.db2.gz RLXNCDNGCAZSOD-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP CCCCCCNC(=[NH2+])NCCC[NH+]1CCCC1 ZINC000170908605 912093532 /nfs/dbraw/zinc/09/35/32/912093532.db2.gz QOMQSCOMHUHQPX-UHFFFAOYSA-N 2 0 254.422 1.957 20 30 CDEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[NH+](CC)CC)[C@H]1C ZINC001179763730 915978717 /nfs/dbraw/zinc/97/87/17/915978717.db2.gz PKCWMOMQAIYDQH-GJZGRUSLSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CCC[NH2+]CCCCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001180072414 916142820 /nfs/dbraw/zinc/14/28/20/916142820.db2.gz STOBPDUVQJIGIL-UHFFFAOYSA-N 2 0 293.455 1.925 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)C[N@H+](C)C(C)C ZINC001180369459 916320952 /nfs/dbraw/zinc/32/09/52/916320952.db2.gz HBKFCIZULJKQGH-UHFFFAOYSA-N 2 0 281.444 1.616 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOC(C)C ZINC000303695841 935040223 /nfs/dbraw/zinc/04/02/23/935040223.db2.gz DRUJDOHDDTVGFH-ZDUSSCGKSA-N 2 0 270.421 1.190 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001052715249 936398430 /nfs/dbraw/zinc/39/84/30/936398430.db2.gz BIVTVKUJRDLSBO-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052820344 936401409 /nfs/dbraw/zinc/40/14/09/936401409.db2.gz ODTHCTQDCVVXMV-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052864908 936403925 /nfs/dbraw/zinc/40/39/25/936403925.db2.gz AHHYBADUHJPWRL-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182472577 917910071 /nfs/dbraw/zinc/91/00/71/917910071.db2.gz FFVUQAQGYKJMBN-CABCVRRESA-N 2 0 277.412 1.073 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182685009 918072643 /nfs/dbraw/zinc/07/26/43/918072643.db2.gz YXWHGVLVIVZQQP-MGPQQGTHSA-N 2 0 265.401 1.093 20 30 CDEDRP C#CC[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC1(C)C ZINC000996042731 918199259 /nfs/dbraw/zinc/19/92/59/918199259.db2.gz LXYIWNNTCIFGLA-HNNXBMFYSA-N 2 0 296.374 1.408 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996518215 918278337 /nfs/dbraw/zinc/27/83/37/918278337.db2.gz IJNPEABJHJGYGY-UONOGXRCSA-N 2 0 279.428 1.341 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC)C(C)(C)C2)CC1 ZINC000996670811 918360730 /nfs/dbraw/zinc/36/07/30/918360730.db2.gz KZEBNIGRXGFGBL-OAHLLOKOSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000996678977 918366167 /nfs/dbraw/zinc/36/61/67/918366167.db2.gz PGUOGFAMGDKHIB-CQSZACIVSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000997184500 919079119 /nfs/dbraw/zinc/07/91/19/919079119.db2.gz BPIFLXKEIBUQIB-UHFFFAOYSA-N 2 0 288.395 1.528 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050201708 936556846 /nfs/dbraw/zinc/55/68/46/936556846.db2.gz KKXICTNZUDRNGW-ARFHVFGLSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001185445716 919598256 /nfs/dbraw/zinc/59/82/56/919598256.db2.gz HVNSMYHDALKZIM-CABCVRRESA-N 2 0 281.444 1.588 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001185501835 919634118 /nfs/dbraw/zinc/63/41/18/919634118.db2.gz IZVHCKKEQRRYLY-LSDHHAIUSA-N 2 0 291.439 1.342 20 30 CDEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000998993587 919650562 /nfs/dbraw/zinc/65/05/62/919650562.db2.gz GTTIVXKCGJXHAX-YMAMQOFZSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001185676480 919720940 /nfs/dbraw/zinc/72/09/40/919720940.db2.gz YSZBHOYCIBXELP-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001185761387 919743739 /nfs/dbraw/zinc/74/37/39/919743739.db2.gz GVVJPIDFJLNKDQ-CABCVRRESA-N 2 0 281.444 1.587 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999409396 919752346 /nfs/dbraw/zinc/75/23/46/919752346.db2.gz XPLGYEOUXHKKCW-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCN1CC[C@]2(CCC[N@H+]2CC2CC[NH+](C)CC2)C1=O ZINC001272888186 919964302 /nfs/dbraw/zinc/96/43/02/919964302.db2.gz QQMQTAUJJSXAEW-QGZVFWFLSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CCN1CC[C@@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001272888129 919966963 /nfs/dbraw/zinc/96/69/63/919966963.db2.gz OZCYOOUMLBBQQV-QGZVFWFLSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072081743 936698101 /nfs/dbraw/zinc/69/81/01/936698101.db2.gz RJFZYIYJRZRUCD-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001190084069 921834195 /nfs/dbraw/zinc/83/41/95/921834195.db2.gz JWPULPJAPVDBRK-CVEARBPZSA-N 2 0 291.439 1.415 20 30 CDEDRP C#CC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001072825937 936710167 /nfs/dbraw/zinc/71/01/67/936710167.db2.gz GLNMCYVDBRCQPA-HNNXBMFYSA-N 2 0 289.423 1.028 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001033127600 921889123 /nfs/dbraw/zinc/88/91/23/921889123.db2.gz WIPYQAOJJHUVRS-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C[N@@H+]1CC[C@@H]2CN(Cc3ccc(C#N)nc3)C[C@@H]2C1 ZINC001140541359 936722357 /nfs/dbraw/zinc/72/23/57/936722357.db2.gz FVSHHBVSACFMKP-KGLIPLIRSA-N 2 0 256.353 1.337 20 30 CDEDRP C=CC[NH2+]CCNC(=O)c1sccc1C[NH+](C)C ZINC001128552329 922025816 /nfs/dbraw/zinc/02/58/16/922025816.db2.gz OIEANYUJCVWXLN-UHFFFAOYSA-N 2 0 267.398 1.315 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC001168747423 922037147 /nfs/dbraw/zinc/03/71/47/922037147.db2.gz KPGYSRDGSICJDW-UHFFFAOYSA-N 2 0 261.797 1.177 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190664837 922107820 /nfs/dbraw/zinc/10/78/20/922107820.db2.gz HCPJJGQBPDCDIM-GJZGRUSLSA-N 2 0 279.428 1.435 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001005180584 922246829 /nfs/dbraw/zinc/24/68/29/922246829.db2.gz TXLCBOLTBWIWSE-AWEZNQCLSA-N 2 0 265.401 1.189 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033582395 922266753 /nfs/dbraw/zinc/26/67/53/922266753.db2.gz OSQNJNBHQKERTN-GJZGRUSLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033595630 922277238 /nfs/dbraw/zinc/27/72/38/922277238.db2.gz VUXAMIKTXSAZLD-CQSZACIVSA-N 2 0 277.412 1.191 20 30 CDEDRP C=C(Cl)CN1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001033772600 922358605 /nfs/dbraw/zinc/35/86/05/922358605.db2.gz AKVDBSIOCJDPFA-KBPBESRZSA-N 2 0 299.846 1.756 20 30 CDEDRP C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001098461857 936752227 /nfs/dbraw/zinc/75/22/27/936752227.db2.gz SDVUJZZTBFDNIC-LVQVYYBASA-N 2 0 289.423 1.216 20 30 CDEDRP C=CCC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001034397723 922627330 /nfs/dbraw/zinc/62/73/30/922627330.db2.gz KPWVHAOSUZAZKJ-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CCC[C@H]1C)CC2 ZINC001035796468 923049206 /nfs/dbraw/zinc/04/92/06/923049206.db2.gz DRLDBWQQVRGGRV-OAHLLOKOSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001080623966 924606892 /nfs/dbraw/zinc/60/68/92/924606892.db2.gz PALXDMPUHMRHTR-RHSMWYFYSA-N 2 0 299.418 1.432 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001100873105 936942464 /nfs/dbraw/zinc/94/24/64/936942464.db2.gz UYOXXTYQUUWYSZ-UHFFFAOYSA-N 2 0 277.412 1.143 20 30 CDEDRP C=C(C)CN1CC[C@]2(CC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711810 924808061 /nfs/dbraw/zinc/80/80/61/924808061.db2.gz JRPNFHDQJDKQBB-INIZCTEOSA-N 2 0 279.428 1.439 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001082589335 924961592 /nfs/dbraw/zinc/96/15/92/924961592.db2.gz WOEPEOZBRITQHT-MGPQQGTHSA-N 2 0 267.417 1.339 20 30 CDEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001198097819 925323074 /nfs/dbraw/zinc/32/30/74/925323074.db2.gz IOAVOECRSPHFKK-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001203925371 925601334 /nfs/dbraw/zinc/60/13/34/925601334.db2.gz NGSXSTZAVUNKNP-UHFFFAOYSA-N 2 0 287.835 1.660 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085421943 925941935 /nfs/dbraw/zinc/94/19/35/925941935.db2.gz BKXPSOADLBPYSR-RRFJBIMHSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001085432608 925953944 /nfs/dbraw/zinc/95/39/44/925953944.db2.gz HEKWLOPYZFAZGN-BZUAXINKSA-N 2 0 291.439 1.511 20 30 CDEDRP C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001085673070 926271226 /nfs/dbraw/zinc/27/12/26/926271226.db2.gz PEFDFJLEJBQSGH-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102782652 937088007 /nfs/dbraw/zinc/08/80/07/937088007.db2.gz OAYSSDLMYDNOON-BZUAXINKSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103407564 937141077 /nfs/dbraw/zinc/14/10/77/937141077.db2.gz IYYVDIVWIXPTOK-BZUAXINKSA-N 2 0 293.455 1.280 20 30 CDEDRP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111858303 937244521 /nfs/dbraw/zinc/24/45/21/937244521.db2.gz YJHSLIHFIJKPSD-RDJZCZTQSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CCC)C2 ZINC001108803665 928645725 /nfs/dbraw/zinc/64/57/25/928645725.db2.gz FCERFAMXCBFASP-XHSDSOJGSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1ccnc1)C2 ZINC001109580819 928975008 /nfs/dbraw/zinc/97/50/08/928975008.db2.gz VYIGDBWHOQPQKP-ILXRZTDVSA-N 2 0 288.395 1.571 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CCC ZINC001115154006 937330165 /nfs/dbraw/zinc/33/01/65/937330165.db2.gz CBLVNHWLRSPUNL-QLPKVWCKSA-N 2 0 293.455 1.731 20 30 CDEDRP C[NH+](C)CCCNC(=S)NN=C1CCC[C@H]([NH+](C)C)C1 ZINC000788430012 929517023 /nfs/dbraw/zinc/51/70/23/929517023.db2.gz RCSQOKSXDZHWGM-ZDUSSCGKSA-N 2 0 299.488 1.262 20 30 CDEDRP FC[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](CF)C2)C1 ZINC000880299171 929650577 /nfs/dbraw/zinc/65/05/77/929650577.db2.gz PKNWIOIMHHZIBK-ZIAGYGMSSA-N 2 0 256.340 1.573 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135102645 930052374 /nfs/dbraw/zinc/05/23/74/930052374.db2.gz KAANHXYDANFSKB-KGLIPLIRSA-N 2 0 265.401 1.285 20 30 CDEDRP CC[NH+](CC)C[C@H](O)C[NH2+]CCc1ccc(C#N)cc1 ZINC001253207035 930085562 /nfs/dbraw/zinc/08/55/62/930085562.db2.gz XGQQHEJNSJJIQG-MRXNPFEDSA-N 2 0 275.396 1.393 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000883131037 930147324 /nfs/dbraw/zinc/14/73/24/930147324.db2.gz CRWHGWGYXATGBD-UHFFFAOYSA-N 2 0 269.751 1.919 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135314461 930151193 /nfs/dbraw/zinc/15/11/93/930151193.db2.gz BHPIWTMRZLBCGY-UONOGXRCSA-N 2 0 267.417 1.224 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135375259 930177341 /nfs/dbraw/zinc/17/73/41/930177341.db2.gz KJXPGYOZABSTHF-STQMWFEESA-N 2 0 255.406 1.387 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135467294 930215897 /nfs/dbraw/zinc/21/58/97/930215897.db2.gz FMHGSZJGVJUSAC-KBPBESRZSA-N 2 0 279.428 1.224 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135511692 930244073 /nfs/dbraw/zinc/24/40/73/930244073.db2.gz YYXUNGICNBOZBT-CYBMUJFWSA-N 2 0 255.406 1.389 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCCC1 ZINC001115707997 937414487 /nfs/dbraw/zinc/41/44/87/937414487.db2.gz IKQCCGVYUZUYOG-UHFFFAOYSA-N 2 0 267.417 1.533 20 30 CDEDRP C#CCC[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000817285604 930471453 /nfs/dbraw/zinc/47/14/53/930471453.db2.gz MIOARYUOMBSDNV-UHFFFAOYSA-N 2 0 263.429 1.502 20 30 CDEDRP Cc1c(Cl)cnc(N[C@@H]([NH3+])CCC[NH3+])c1C#N ZINC001170896553 930691562 /nfs/dbraw/zinc/69/15/62/930691562.db2.gz GXDKBHZSYIHDCC-SNVBAGLBSA-N 2 0 253.737 1.351 20 30 CDEDRP N#Cc1cnc(N[C@H]([NH3+])CCC[NH3+])c2sccc21 ZINC001170897260 930691805 /nfs/dbraw/zinc/69/18/05/930691805.db2.gz LBRYNTRCWBSSEO-JTQLQIEISA-N 2 0 261.354 1.604 20 30 CDEDRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886010432 930787422 /nfs/dbraw/zinc/78/74/22/930787422.db2.gz JDRCSSRGTVAPAO-KBPBESRZSA-N 2 0 265.401 1.315 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000886597997 930918735 /nfs/dbraw/zinc/91/87/35/930918735.db2.gz RDOFLRACVCUDHY-AWEZNQCLSA-N 2 0 267.417 1.293 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001153659893 937459903 /nfs/dbraw/zinc/45/99/03/937459903.db2.gz INJXWDAGUXRHOE-HUUCEWRRSA-N 2 0 299.434 1.516 20 30 CDEDRP COCC#CCN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133185 931023250 /nfs/dbraw/zinc/02/32/50/931023250.db2.gz WCJNPYCQALQXGC-CQSZACIVSA-N 2 0 259.353 1.242 20 30 CDEDRP CCCCNC(=[NH2+])NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000104181333 931323932 /nfs/dbraw/zinc/32/39/32/931323932.db2.gz ILYIQUIMGPLEDT-CYBMUJFWSA-N 2 0 254.422 1.811 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N(CCC)[C@@H]1CC[N@H+](C)C1 ZINC000843986788 931522397 /nfs/dbraw/zinc/52/23/97/931522397.db2.gz CDOKDDGKHVRGGK-CYBMUJFWSA-N 2 0 253.390 1.047 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001091026184 931732819 /nfs/dbraw/zinc/73/28/19/931732819.db2.gz JOCWCDVNVXEKQP-GPANFISMSA-N 2 0 293.455 1.920 20 30 CDEDRP C#Cc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000846052965 931966098 /nfs/dbraw/zinc/96/60/98/931966098.db2.gz MXVWKEXYIMJGJV-UHFFFAOYSA-N 2 0 285.435 1.785 20 30 CDEDRP NC(=O)c1ccc(C(=[NH2+])Nc2ccc(C3([NH3+])CC3)cc2)cc1 ZINC001171256490 932154274 /nfs/dbraw/zinc/15/42/74/932154274.db2.gz JUJWDWFPHAEHOC-UHFFFAOYSA-N 2 0 294.358 1.770 20 30 CDEDRP C#CCCC[NH+]1C[C@@H]2CC[N@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001275976082 932192376 /nfs/dbraw/zinc/19/23/76/932192376.db2.gz ZBQHCJDBWYMVAZ-IYBDPMFKSA-N 2 0 291.439 1.132 20 30 CDEDRP C#CCCC[N@H+]1CCC[C@@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001275977713 932194119 /nfs/dbraw/zinc/19/41/19/932194119.db2.gz FCGYGGGFGXXESJ-KRWDZBQOSA-N 2 0 293.455 1.128 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146537211 932263059 /nfs/dbraw/zinc/26/30/59/932263059.db2.gz XHMOYXADKPECNI-CVEARBPZSA-N 2 0 293.455 1.759 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154850878 937596211 /nfs/dbraw/zinc/59/62/11/937596211.db2.gz NSFYPBFBCSEZAC-ZNMIVQPWSA-N 2 0 279.428 1.177 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147835521 932616373 /nfs/dbraw/zinc/61/63/73/932616373.db2.gz TZZLGYLOTLUSDM-KBPBESRZSA-N 2 0 267.417 1.389 20 30 CDEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115450495 934109258 /nfs/dbraw/zinc/10/92/58/934109258.db2.gz CZNNAYRCGHFAML-OAHLLOKOSA-N 2 0 291.439 1.513 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)CCCC[NH+](C)C)CCCCC1 ZINC001120033201 937775691 /nfs/dbraw/zinc/77/56/91/937775691.db2.gz XYTRFFLECSOPNM-UHFFFAOYSA-N 2 0 293.455 1.760 20 30 CDEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750436 934953020 /nfs/dbraw/zinc/95/30/20/934953020.db2.gz IBXRXYHWBODJNF-AIANPOQGSA-N 2 0 293.455 1.729 20 30 CDEDRP CNC(NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)=[NH+]C ZINC000303269072 935023998 /nfs/dbraw/zinc/02/39/98/935023998.db2.gz ZSYMKEFSXQEBTM-ZDUSSCGKSA-N 2 0 254.422 1.538 20 30 CDEDRP CC(C)CCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCCC1 ZINC000303876748 935046135 /nfs/dbraw/zinc/04/61/35/935046135.db2.gz IHQGAFZYLIYYTN-CYBMUJFWSA-N 2 0 254.422 1.669 20 30 CDEDRP COc1ccc(NC(=[NH2+])NCC[N@H+](C)C(C)C)cc1 ZINC000303981782 935049179 /nfs/dbraw/zinc/04/91/79/935049179.db2.gz POUIIRPKMAXUMA-UHFFFAOYSA-N 2 0 264.373 1.762 20 30 CDEDRP CC(C)(C)[NH2+]CCNC(=[NH2+])NCCc1ccccc1 ZINC000304750449 935086025 /nfs/dbraw/zinc/08/60/25/935086025.db2.gz ILFJEKBLJJOIAT-UHFFFAOYSA-N 2 0 262.401 1.522 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH+](C)C1CCCC1 ZINC000304759127 935087334 /nfs/dbraw/zinc/08/73/34/935087334.db2.gz QUPGJMVCLQJHMK-HNNXBMFYSA-N 3 0 295.475 1.249 20 30 CDEDRP C[NH+]=C(NCC[C@@H](C)[NH+]1CCCCC1)NC1CC1 ZINC000305832839 935220215 /nfs/dbraw/zinc/22/02/15/935220215.db2.gz VEIYIABTKXJGRV-GFCCVEGCSA-N 2 0 252.406 1.578 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015289083 935563547 /nfs/dbraw/zinc/56/35/47/935563547.db2.gz ITCIJAHHFAHTLO-CQSZACIVSA-N 2 0 284.363 1.715 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015388683 935566938 /nfs/dbraw/zinc/56/69/38/935566938.db2.gz RYTCTYFUMQACBN-HZPDHXFCSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015391721 935567089 /nfs/dbraw/zinc/56/70/89/935567089.db2.gz KCCZQBVCBXCIQP-CVEARBPZSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015925713 935593504 /nfs/dbraw/zinc/59/35/04/935593504.db2.gz BYLLKIVKOSBXGY-MRXNPFEDSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001020289201 935733735 /nfs/dbraw/zinc/73/37/35/935733735.db2.gz UMLRWZVOZDPDOM-KBUPBQIOSA-N 2 0 277.412 1.426 20 30 CDEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001041409848 935797979 /nfs/dbraw/zinc/79/79/79/935797979.db2.gz SLIJRBRACSNEIN-RDJZCZTQSA-N 2 0 291.439 1.581 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001044796224 935870375 /nfs/dbraw/zinc/87/03/75/935870375.db2.gz IKUZYDHGKDEXGF-HZPDHXFCSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001048512580 936054186 /nfs/dbraw/zinc/05/41/86/936054186.db2.gz YQRPXOSVDJHNCZ-FZKCQIBNSA-N 2 0 291.439 1.626 20 30 CDEDRP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049697955 936172384 /nfs/dbraw/zinc/17/23/84/936172384.db2.gz LZVSJPMWFQOULQ-HRCADAONSA-N 2 0 293.455 1.824 20 30 CDEDRP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001049996343 936198848 /nfs/dbraw/zinc/19/88/48/936198848.db2.gz XPFLSQNVCXSSJT-ARFHVFGLSA-N 2 0 289.423 1.027 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001121990658 937897012 /nfs/dbraw/zinc/89/70/12/937897012.db2.gz QNZQTSIAMHGGKH-CABCVRRESA-N 2 0 299.459 1.641 20 30 CDEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157701630 938534214 /nfs/dbraw/zinc/53/42/14/938534214.db2.gz GOLGDXGOUIMPMH-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001159334504 938722867 /nfs/dbraw/zinc/72/28/67/938722867.db2.gz DSNZNWVTSVBBMH-OAHLLOKOSA-N 2 0 281.444 1.923 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001159838351 938756587 /nfs/dbraw/zinc/75/65/87/938756587.db2.gz KKEHWVSRQQPQBS-HNNXBMFYSA-N 2 0 279.428 1.084 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159846671 938756854 /nfs/dbraw/zinc/75/68/54/938756854.db2.gz PUMXMRWMYXEFIL-UHFFFAOYSA-N 2 0 273.808 1.319 20 30 CDEDRP Cc1nc(C#N)cnc1-n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001160950984 938849223 /nfs/dbraw/zinc/84/92/23/938849223.db2.gz XYSLIAJWXDERSE-UHFFFAOYSA-N 2 0 278.319 1.497 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001163819841 939337820 /nfs/dbraw/zinc/33/78/20/939337820.db2.gz AWIBBRRWHIJGAO-CQSZACIVSA-N 2 0 279.428 1.533 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203337991 939683361 /nfs/dbraw/zinc/68/33/61/939683361.db2.gz ZHHANKBFYJUJCT-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001204799197 939791957 /nfs/dbraw/zinc/79/19/57/939791957.db2.gz SJTFOMVHHIBEHH-CQSZACIVSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CCOC(=O)N1CCC2(C[NH+](CCCC[NH3+])C2)CC1 ZINC001204896059 939803613 /nfs/dbraw/zinc/80/36/13/939803613.db2.gz FKGWLSBAWRWNNK-UHFFFAOYSA-N 2 0 281.400 1.446 20 30 CDEDRP C[C@@H]1C[N@H+](Cc2cncc(C#N)c2)CCC[C@H]1C[NH3+] ZINC001206012825 939967044 /nfs/dbraw/zinc/96/70/44/939967044.db2.gz OEJZLCWGXKOOCL-DOMZBBRYSA-N 2 0 258.369 1.760 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001206954439 940117617 /nfs/dbraw/zinc/11/76/17/940117617.db2.gz JFWQRNDNFNHASS-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070904 940282572 /nfs/dbraw/zinc/28/25/72/940282572.db2.gz UCEZTWSBIBWJJF-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001208571211 940341547 /nfs/dbraw/zinc/34/15/47/940341547.db2.gz JETFTZNQMGPHOO-KFWWJZLASA-N 2 0 279.428 1.177 20 30 CDEDRP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001208598185 940346860 /nfs/dbraw/zinc/34/68/60/940346860.db2.gz YLNPUQFRXLQBMH-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCCC[N@H+]1CCc2ncc(Cn3cccn3)n2CC1 ZINC001209160979 940441727 /nfs/dbraw/zinc/44/17/27/940441727.db2.gz FOGGRHDMNVROHQ-UHFFFAOYSA-N 2 0 285.395 1.952 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001209668718 940624691 /nfs/dbraw/zinc/62/46/91/940624691.db2.gz HMMJLKORBHLMOQ-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCOC(=O)N[C@H]1CCCN(Cc2c[nH+]ccc2N)C1 ZINC001209733900 940633372 /nfs/dbraw/zinc/63/33/72/940633372.db2.gz VBHZXBHVBYQMPD-ZDUSSCGKSA-N 2 0 290.367 1.371 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001209950254 940653517 /nfs/dbraw/zinc/65/35/17/940653517.db2.gz DICVULMHIDBUQO-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP Cc1ncc(C#N)cc1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218659260 941254574 /nfs/dbraw/zinc/25/45/74/941254574.db2.gz PABPSOKYFTYYJZ-ZDUSSCGKSA-N 2 0 299.378 1.074 20 30 CDEDRP COc1cccc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])c1C#N ZINC001218978997 941296466 /nfs/dbraw/zinc/29/64/66/941296466.db2.gz VHFJENHJPDFZLX-NSHDSACASA-N 2 0 290.367 1.352 20 30 CDEDRP N#Cc1ccc(F)c(F)c1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001219316990 941329804 /nfs/dbraw/zinc/32/98/04/941329804.db2.gz JEMKBVDNOKYKBP-JTQLQIEISA-N 2 0 296.321 1.621 20 30 CDEDRP N#Cc1ccc(CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])cc1F ZINC001220449008 941447783 /nfs/dbraw/zinc/44/77/83/941447783.db2.gz GKVBWGBSJDETTF-ZDUSSCGKSA-N 2 0 292.358 1.160 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001223374958 941674174 /nfs/dbraw/zinc/67/41/74/941674174.db2.gz WORKJCNKEHYXFR-HNNXBMFYSA-N 2 0 297.418 1.128 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001224522461 941764329 /nfs/dbraw/zinc/76/43/29/941764329.db2.gz JEHNNRUYEWOOLE-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001224570245 941771990 /nfs/dbraw/zinc/77/19/90/941771990.db2.gz VIVQVHNNIWLQDP-UHFFFAOYSA-N 2 0 291.439 1.180 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001229907951 942552569 /nfs/dbraw/zinc/55/25/69/942552569.db2.gz CIFZLUBTIJJTKZ-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CCC[N@H+]1CC=C(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001284957332 943300428 /nfs/dbraw/zinc/30/04/28/943300428.db2.gz PJJITBMWHKDQSP-HNNXBMFYSA-N 2 0 277.412 1.098 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC001263158735 943767904 /nfs/dbraw/zinc/76/79/04/943767904.db2.gz JOWFFAIYZCPDHS-AGIUHOORSA-N 2 0 253.390 1.256 20 30 CDEDRP C=CC[NH+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001235301669 944113648 /nfs/dbraw/zinc/11/36/48/944113648.db2.gz DDYBWQUOWINHCF-HOTGVXAUSA-N 2 0 293.455 1.968 20 30 CDEDRP C=C(C)CN1CC[C@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235339664 944128428 /nfs/dbraw/zinc/12/84/28/944128428.db2.gz XUTJUSKJYPGLCF-AWEZNQCLSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](CCCC[NH3+])C2 ZINC001235521416 944185018 /nfs/dbraw/zinc/18/50/18/944185018.db2.gz HFJQOBJQQAWXGG-JKSUJKDBSA-N 2 0 282.428 1.799 20 30 CDEDRP N#Cc1cc(-c2cc(C[NH3+])ccn2)cc(C2C[NH2+]C2)c1 ZINC001240335774 945792821 /nfs/dbraw/zinc/79/28/21/945792821.db2.gz HKPQIVFPHHQPRK-UHFFFAOYSA-N 2 0 264.332 1.766 20 30 CDEDRP C=CCOC1CCC([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CC1 ZINC001246089763 947940122 /nfs/dbraw/zinc/94/01/22/947940122.db2.gz SJPUXBRDVMNIES-PFSRBDOWSA-N 2 0 286.391 1.152 20 30 CDEDRP C[C@@H](CCCC#N)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246146928 947989153 /nfs/dbraw/zinc/98/91/53/947989153.db2.gz OXXJVPBXTZMIDV-KBPBESRZSA-N 2 0 264.417 1.533 20 30 CDEDRP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1CC[NH2+]CC1)C2 ZINC001246158885 947998663 /nfs/dbraw/zinc/99/86/63/947998663.db2.gz VBDSNUAPJZUSFZ-OAHLLOKOSA-N 2 0 287.407 1.233 20 30 CDEDRP SCCC[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256686163 948394993 /nfs/dbraw/zinc/39/49/93/948394993.db2.gz KEOITKJOKFPNRU-UHFFFAOYSA-N 2 0 258.431 1.539 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CCN([C@H]2CCC[NH2+]C2)CC1 ZINC001246951119 948536173 /nfs/dbraw/zinc/53/61/73/948536173.db2.gz XQZBAIWCTCSEFX-KRWDZBQOSA-N 2 0 292.471 1.030 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001480566472 971787919 /nfs/dbraw/zinc/78/79/19/971787919.db2.gz URSSILONZZEIKN-NSHDSACASA-N 2 0 261.797 1.175 20 30 CDEDRP C=CCNC(=S)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001200293354 967863079 /nfs/dbraw/zinc/86/30/79/967863079.db2.gz SWTHSAKMAUFDNA-UHFFFAOYSA-N 2 0 296.484 1.006 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100320575 968007045 /nfs/dbraw/zinc/00/70/45/968007045.db2.gz JGDMUXOCZFTAOB-UYSNPLJNSA-N 2 0 291.439 1.367 20 30 CDEDRP C=CCCC[NH2+]C1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001100678758 968933331 /nfs/dbraw/zinc/93/33/31/968933331.db2.gz VYFSFPUKKCNYKA-FHERZECASA-N 2 0 293.455 1.779 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000848996086 969388868 /nfs/dbraw/zinc/38/88/68/969388868.db2.gz CGKQJWUWXAOQAU-CYBMUJFWSA-N 2 0 278.400 1.675 20 30 CDEDRP N#CCCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849023310 969411428 /nfs/dbraw/zinc/41/14/28/969411428.db2.gz IECFLSOFUSBWJJ-UHFFFAOYSA-N 2 0 285.395 1.679 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001499243965 974221649 /nfs/dbraw/zinc/22/16/49/974221649.db2.gz RYFRPCCOVVUMST-ZDUSSCGKSA-N 2 0 299.846 1.852 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132273626 1163225970 /nfs/dbraw/zinc/22/59/70/1163225970.db2.gz HZGXDHNOXYMZKP-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001133064353 1163555544 /nfs/dbraw/zinc/55/55/44/1163555544.db2.gz MGPLSIQBKPONTF-GJZGRUSLSA-N 2 0 291.439 1.036 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133090376 1163567098 /nfs/dbraw/zinc/56/70/98/1163567098.db2.gz GZVUHKJNLLJXBK-GJZGRUSLSA-N 2 0 279.428 1.036 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001133315560 1163639170 /nfs/dbraw/zinc/63/91/70/1163639170.db2.gz UNWDBLFFWDUNND-CVEARBPZSA-N 2 0 293.455 1.733 20 30 CDEDRP CC#CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132111877 1163175931 /nfs/dbraw/zinc/17/59/31/1163175931.db2.gz XOMMRRQACPQDNT-HUUCEWRRSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001571296980 1170360313 /nfs/dbraw/zinc/36/03/13/1170360313.db2.gz KBBRDBZKSWJACT-GJZGRUSLSA-N 2 0 279.428 1.369 20 30 CDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C)C[C@@H]1CC ZINC001574852047 1171026766 /nfs/dbraw/zinc/02/67/66/1171026766.db2.gz OCCJWZYRQBDRNT-NWDGAFQWSA-N 2 0 273.808 1.399 20 30 CDEDRP C=CC1(CC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)C[NH2+]C1 ZINC001574880774 1171036156 /nfs/dbraw/zinc/03/61/56/1171036156.db2.gz RXNGQYDPDNAPTG-UONOGXRCSA-N 2 0 279.428 1.389 20 30 CDEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001574959670 1171061808 /nfs/dbraw/zinc/06/18/08/1171061808.db2.gz JBTWGSOCYWHVPN-MJBXVCDLSA-N 2 0 266.385 1.078 20 30 CDEDRP COCC[NH2+]CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000591578184 342637725 /nfs/dbraw/zinc/63/77/25/342637725.db2.gz MWCGSQZZXZAPQI-INIZCTEOSA-N 2 0 273.380 1.761 20 30 CDEDRP C=CCCSCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000596649245 343370715 /nfs/dbraw/zinc/37/07/15/343370715.db2.gz DDJASXGSODDFRI-YNEHKIRRSA-N 2 0 258.431 1.638 20 30 CDEDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000619672058 349847391 /nfs/dbraw/zinc/84/73/91/349847391.db2.gz WJPVDYDKUYLEPR-KGLIPLIRSA-N 2 0 264.417 1.294 20 30 CDEDRP CC(C)[NH2+]C1CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598596354 343840945 /nfs/dbraw/zinc/84/09/45/343840945.db2.gz OMQSWXZBPBZDQJ-CQSZACIVSA-N 2 0 267.417 1.750 20 30 CDEDRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000598912222 343923210 /nfs/dbraw/zinc/92/32/10/343923210.db2.gz RWKHOTMUGPFTJW-UHFFFAOYSA-N 2 0 258.369 1.775 20 30 CDEDRP CC(C)(C#N)CC[NH+]1CCC(N2CCOCC2)CC1 ZINC000599472391 344062064 /nfs/dbraw/zinc/06/20/64/344062064.db2.gz UVSWQQKZNDMIMP-UHFFFAOYSA-N 2 0 265.401 1.723 20 30 CDEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000602526057 344454547 /nfs/dbraw/zinc/45/45/47/344454547.db2.gz OCITYELSZAKAJN-HUUCEWRRSA-N 2 0 295.427 1.132 20 30 CDEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000602582045 344475658 /nfs/dbraw/zinc/47/56/58/344475658.db2.gz MSONSVHAMFMRNV-AWEZNQCLSA-N 2 0 277.412 1.937 20 30 CDEDRP CC[NH+](CC)CC(=O)N1CCN(CC2(CC#N)CC2)CC1 ZINC000602773147 344576900 /nfs/dbraw/zinc/57/69/00/344576900.db2.gz RAXKZLMOMROBFS-UHFFFAOYSA-N 2 0 292.427 1.166 20 30 CDEDRP C[N@@H+]1CCC[C@H](N2CC[NH+](CCCSCC#N)CC2)C1 ZINC000610412773 346274056 /nfs/dbraw/zinc/27/40/56/346274056.db2.gz BRINGISUMAMMHR-HNNXBMFYSA-N 2 0 296.484 1.345 20 30 CDEDRP C[C@H](C#N)C[NH+](C)CCCC[N@@H+](C)C[C@H](C)C#N ZINC000556680063 357157073 /nfs/dbraw/zinc/15/70/73/357157073.db2.gz LXZTWUQHKUSKRM-ZIAGYGMSSA-N 2 0 250.390 1.950 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]([NH3+])C(C)C)C(C)C ZINC000269241239 359370592 /nfs/dbraw/zinc/37/05/92/359370592.db2.gz RDSQOPGZWCUQQZ-HUUCEWRRSA-N 2 0 281.444 1.785 20 30 CDEDRP C=CCOCCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000348029144 359777732 /nfs/dbraw/zinc/77/77/32/359777732.db2.gz HJAZDKSREMJVOW-HNNXBMFYSA-N 2 0 252.402 1.997 20 30 CDEDRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)N(C)CCC#N)C1 ZINC000092798299 360285511 /nfs/dbraw/zinc/28/55/11/360285511.db2.gz VYBNXPGXSCDWIC-HNNXBMFYSA-N 2 0 294.443 1.412 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000123225858 360353492 /nfs/dbraw/zinc/35/34/92/360353492.db2.gz UMAAQXYJRJGAHK-ZBFHGGJFSA-N 2 0 291.439 1.273 20 30 CDEDRP N#CCSCCC[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000080632026 361359857 /nfs/dbraw/zinc/35/98/57/361359857.db2.gz YNKPDKFEUPGCCX-CQSZACIVSA-N 2 0 283.441 1.287 20 30 CDEDRP C=C1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000358184657 367497438 /nfs/dbraw/zinc/49/74/38/367497438.db2.gz PDQJTDASJVMKHI-UHFFFAOYSA-N 2 0 279.428 1.627 20 30 CDEDRP C[C@@H](CCN1CCOCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC000347774563 372331636 /nfs/dbraw/zinc/33/16/36/372331636.db2.gz JMNPZCHEPNMUBO-ZDUSSCGKSA-N 2 0 291.370 1.898 20 30 CDEDRP C=C[C@H](CO)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000289873329 378350829 /nfs/dbraw/zinc/35/08/29/378350829.db2.gz RPKWUOOTQMEBQS-DZGCQCFKSA-N 2 0 278.396 1.825 20 30 CDEDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174269759 379424842 /nfs/dbraw/zinc/42/48/42/379424842.db2.gz RAXNEXBTSNCGNM-CYBMUJFWSA-N 2 0 276.384 1.267 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC000280939616 195037611 /nfs/dbraw/zinc/03/76/11/195037611.db2.gz QUHXCHJFZGIRPT-UHFFFAOYSA-N 2 0 292.427 1.198 20 30 CDEDRP C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N1CCCC1 ZINC000262199414 391041745 /nfs/dbraw/zinc/04/17/45/391041745.db2.gz ZWICKHWZAIODBH-UHFFFAOYSA-N 2 0 298.394 1.747 20 30 CDEDRP C=CCC[C@H](O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374423718 391162816 /nfs/dbraw/zinc/16/28/16/391162816.db2.gz XDBBLVVNXZIZGV-YHUYYLMFSA-N 2 0 282.428 1.497 20 30 CDEDRP CN(CC[N@H+](C)[C@@H]1CC[C@H](C#N)C1)C1CC[NH+](C)CC1 ZINC000339053778 391247693 /nfs/dbraw/zinc/24/76/93/391247693.db2.gz IUDKSKUIIXYHFV-GOEBONIOSA-N 2 0 278.444 1.636 20 30 CDEDRP C[C@H]1C[NH+]=C(NCc2cccc(C[NH+]3CCCC3)c2)N1 ZINC000262627082 391801893 /nfs/dbraw/zinc/80/18/93/391801893.db2.gz DVCBUWBKIAFABA-ZDUSSCGKSA-N 2 0 272.396 1.720 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000372332680 391848280 /nfs/dbraw/zinc/84/82/80/391848280.db2.gz OCRJZABZPJNVPG-LSDHHAIUSA-N 2 0 251.418 1.520 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC000660703806 413389535 /nfs/dbraw/zinc/38/95/35/413389535.db2.gz HEXPOAZMODWPLP-OAHLLOKOSA-N 2 0 294.443 1.420 20 30 CDEDRP CCNC(=[NH2+])NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284108476 263085832 /nfs/dbraw/zinc/08/58/32/263085832.db2.gz SMBLUMMFYAUUDC-UHFFFAOYSA-N 2 0 290.411 1.584 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1CC[NH2+]CC1)C(C)C ZINC000165197482 264122493 /nfs/dbraw/zinc/12/24/93/264122493.db2.gz WTEPABFTOGYIHN-INIZCTEOSA-N 2 0 293.455 1.801 20 30 CDEDRP C#CCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000370691450 267340259 /nfs/dbraw/zinc/34/02/59/267340259.db2.gz SRVSRJDVCADEFQ-UHFFFAOYSA-N 2 0 263.429 1.500 20 30 CDEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341197265 328404376 /nfs/dbraw/zinc/40/43/76/328404376.db2.gz UIVSXFVUFKDMOE-UHFFFAOYSA-N 2 0 279.428 1.461 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000185360916 329271244 /nfs/dbraw/zinc/27/12/44/329271244.db2.gz MBXPPTVCRBMGAQ-UHFFFAOYSA-N 2 0 294.443 1.372 20 30 CDEDRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185881495 329334285 /nfs/dbraw/zinc/33/42/85/329334285.db2.gz ATYPTMXMIVOHRM-HOTGVXAUSA-N 2 0 278.444 1.686 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)C(C)C ZINC000572162935 329950720 /nfs/dbraw/zinc/95/07/20/329950720.db2.gz NTSDHKWFLUNXPD-QLFBSQMISA-N 2 0 279.428 1.539 20 30 CDEDRP CN1CC[NH+]=C1NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000262661828 330025157 /nfs/dbraw/zinc/02/51/57/330025157.db2.gz NCRYTMOPDHUNAQ-OAHLLOKOSA-N 2 0 278.444 1.922 20 30 CDEDRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC000424249147 330332126 /nfs/dbraw/zinc/33/21/26/330332126.db2.gz VPHKABYCOQKACW-ZDUSSCGKSA-N 2 0 260.341 1.413 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000458311566 331248160 /nfs/dbraw/zinc/24/81/60/331248160.db2.gz AQJFGRZZAUPQMC-UHFFFAOYSA-N 2 0 296.459 1.666 20 30 CDEDRP C#CCN(C)CCC[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000491807827 332360920 /nfs/dbraw/zinc/36/09/20/332360920.db2.gz TWYTXBFTIDDJGY-DOTOQJQBSA-N 2 0 274.408 1.696 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001075785320 1160180964 /nfs/dbraw/zinc/18/09/64/1160180964.db2.gz YFKCXHFQOWVGFC-HRCADAONSA-N 2 0 291.439 1.578 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086132935 1161961182 /nfs/dbraw/zinc/96/11/82/1161961182.db2.gz IDGLBTCKOROOHZ-OWCLPIDISA-N 2 0 291.439 1.224 20 30 CDEDRP C=CCCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001754022929 1185428952 /nfs/dbraw/zinc/42/89/52/1185428952.db2.gz LSWYMXKGKDWRGX-KBPBESRZSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001113160864 1162118100 /nfs/dbraw/zinc/11/81/00/1162118100.db2.gz OLGFVFBEAONCQH-UHFFFAOYSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001113343859 1162158737 /nfs/dbraw/zinc/15/87/37/1162158737.db2.gz HCZJEQMLGZTSGD-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001113561443 1162222206 /nfs/dbraw/zinc/22/22/06/1162222206.db2.gz BURZCYNEYVELQF-UHFFFAOYSA-N 2 0 281.444 1.829 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C[NH+](C)C)CC1 ZINC000352815311 526593752 /nfs/dbraw/zinc/59/37/52/526593752.db2.gz ATXDRGDJZCCABB-CYBMUJFWSA-N 2 0 282.432 1.276 20 30 CDEDRP C=CC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352714225 527574810 /nfs/dbraw/zinc/57/48/10/527574810.db2.gz KJWFOTVADDKGGZ-UHFFFAOYSA-N 2 0 273.424 1.922 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000730275907 574907290 /nfs/dbraw/zinc/90/72/90/574907290.db2.gz BIGRSJWBMVXVDR-PMPSAXMXSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000766107975 576078523 /nfs/dbraw/zinc/07/85/23/576078523.db2.gz JUQRVNUGJCAFEM-OAGGEKHMSA-N 2 0 289.423 1.027 20 30 CDEDRP C#CCC[NH+]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977451998 613037521 /nfs/dbraw/zinc/03/75/21/613037521.db2.gz KBAQOQOAFDVLPG-GJZGRUSLSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000971681730 613081586 /nfs/dbraw/zinc/08/15/86/613081586.db2.gz GFZZLCWJBPAWCM-JKSUJKDBSA-N 2 0 291.439 1.415 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000948240486 613162650 /nfs/dbraw/zinc/16/26/50/613162650.db2.gz GMVCGDAAVABFAJ-HUUCEWRRSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC000942288195 613272010 /nfs/dbraw/zinc/27/20/10/613272010.db2.gz PMJBSSSYOIJLAJ-CJNGLKHVSA-N 2 0 296.374 1.408 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000972330747 613283495 /nfs/dbraw/zinc/28/34/95/613283495.db2.gz GWVXULQWOKLZLF-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000969676805 613299678 /nfs/dbraw/zinc/29/96/78/613299678.db2.gz JBEVNPJCKDNMQR-CJNGLKHVSA-N 2 0 291.439 1.341 20 30 CDEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000969411404 613301978 /nfs/dbraw/zinc/30/19/78/613301978.db2.gz KDRFRRUZVQDYOK-JSGCOSHPSA-N 2 0 265.401 1.093 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968149208 613323712 /nfs/dbraw/zinc/32/37/12/613323712.db2.gz CQISJQQWZZRVDI-ZBFHGGJFSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000969097555 613348617 /nfs/dbraw/zinc/34/86/17/613348617.db2.gz FCFPWZAYMKXIGD-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000981963520 613493109 /nfs/dbraw/zinc/49/31/09/613493109.db2.gz CRNVXUASVFJBJS-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000957331955 613504616 /nfs/dbraw/zinc/50/46/16/613504616.db2.gz CYPDSNOHQVOIPU-CQSZACIVSA-N 2 0 265.401 1.049 20 30 CDEDRP C=CC[NH+]1CC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000970014324 613672011 /nfs/dbraw/zinc/67/20/11/613672011.db2.gz BMQUGCKUAOYKEA-LBPRGKRZSA-N 2 0 298.390 1.879 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000948775336 613700912 /nfs/dbraw/zinc/70/09/12/613700912.db2.gz GEKTYDANRIHGPT-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000981194386 613872599 /nfs/dbraw/zinc/87/25/99/613872599.db2.gz LFTKZAQEJGQLCC-GJZGRUSLSA-N 2 0 291.439 1.818 20 30 CDEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000926202380 617511771 /nfs/dbraw/zinc/51/17/71/617511771.db2.gz KPBYFXMVQIMGRN-CABCVRRESA-N 2 0 280.460 1.930 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NC(C)(C)C[NH3+] ZINC000911762949 629479839 /nfs/dbraw/zinc/47/98/39/629479839.db2.gz TWQXAHCRPSVEEJ-GFCCVEGCSA-N 2 0 257.422 1.918 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000913519703 630524648 /nfs/dbraw/zinc/52/46/48/630524648.db2.gz LHOUDRZBHWTRHG-HNNXBMFYSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001167232805 1158546154 /nfs/dbraw/zinc/54/61/54/1158546154.db2.gz QLBGRBXKAAAGHU-OAHLLOKOSA-N 2 0 291.439 1.228 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001022070203 1158835973 /nfs/dbraw/zinc/83/59/73/1158835973.db2.gz RVVMGJOXKIUTGG-ZNMIVQPWSA-N 2 0 279.428 1.672 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCc2nc(C)[nH]c2C1 ZINC001130490783 1162638297 /nfs/dbraw/zinc/63/82/97/1162638297.db2.gz IKUYTHBXLSDTIK-GFCCVEGCSA-N 2 0 276.384 1.105 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025781905 1159555602 /nfs/dbraw/zinc/55/56/02/1159555602.db2.gz VDPDNDUWAUDZAJ-LEOABGAYSA-N 2 0 289.423 1.093 20 30 CDEDRP C#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000809616236 1163049055 /nfs/dbraw/zinc/04/90/55/1163049055.db2.gz LPLHYJLRYQVSEK-KRWDZBQOSA-N 2 0 299.418 1.345 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001755864787 1160633686 /nfs/dbraw/zinc/63/36/86/1160633686.db2.gz BIDFWNLBVURKCQ-WLYUNCDWSA-N 2 0 279.428 1.483 20 30 CDEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)CC)C2)C1 ZINC001122022861 1161117851 /nfs/dbraw/zinc/11/78/51/1161117851.db2.gz LVHKVNYZQLTLKT-UHFFFAOYSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1(C)C ZINC000995826136 1161312466 /nfs/dbraw/zinc/31/24/66/1161312466.db2.gz OUFGRYLMSZHPNR-ZNMIVQPWSA-N 2 0 293.455 1.729 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001135474451 1164144150 /nfs/dbraw/zinc/14/41/50/1164144150.db2.gz QENOWSNSGJGBKY-CQSZACIVSA-N 2 0 269.433 1.635 20 30 CDEDRP C[C@@H]1C[C@@H](C[NH+]2CCN(c3ccc(C#N)nc3)CC2)CC[NH2+]1 ZINC000873228024 1165527869 /nfs/dbraw/zinc/52/78/69/1165527869.db2.gz QFKCQZQFCMZARP-CABCVRRESA-N 2 0 299.422 1.463 20 30 CDEDRP C#CCC[C@H](O)C[NH2+][C@@H]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001574545263 1170992307 /nfs/dbraw/zinc/99/23/07/1170992307.db2.gz PCRKPWKGWLUXGB-APIJFGDWSA-N 2 0 250.386 1.271 20 30 CDEDRP C#CCN(C[C@@H]1CCCC[N@H+]1C(C)C)C1CC[NH2+]CC1 ZINC001574666612 1170999221 /nfs/dbraw/zinc/99/92/21/1170999221.db2.gz BFPUUGMSCWMYGV-KRWDZBQOSA-N 2 0 277.456 1.937 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713838430 1178787576 /nfs/dbraw/zinc/78/75/76/1178787576.db2.gz JXSZMRCHQPYDFL-HUUCEWRRSA-N 2 0 279.428 1.483 20 30 CDEDRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001714329301 1179086783 /nfs/dbraw/zinc/08/67/83/1179086783.db2.gz LNXUGUMPTGGJJL-KRWDZBQOSA-N 2 0 299.418 1.180 20 30 CDEDRP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001734297119 1183718529 /nfs/dbraw/zinc/71/85/29/1183718529.db2.gz GMDCVEULZYXOHH-CVEARBPZSA-N 2 0 293.455 1.423 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001752730614 1184902116 /nfs/dbraw/zinc/90/21/16/1184902116.db2.gz HADSJSOWFBOEGF-QLFBSQMISA-N 2 0 277.412 1.141 20 30 CDEDRP C#CCC[N@H+](CC)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001753094622 1185056340 /nfs/dbraw/zinc/05/63/40/1185056340.db2.gz FAQFFMWJIFWYMU-MRXNPFEDSA-N 2 0 293.455 1.568 20 30 CDEDRP C#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001753332976 1185159070 /nfs/dbraw/zinc/15/90/70/1185159070.db2.gz ZNWSTNPWJQFHTN-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP CC#CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001753671623 1185294144 /nfs/dbraw/zinc/29/41/44/1185294144.db2.gz WESXEFNMMIMAPO-OAHLLOKOSA-N 2 0 291.439 1.370 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001753756092 1185329401 /nfs/dbraw/zinc/32/94/01/1185329401.db2.gz ZRFXMVNJAQBOBB-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@@H+](C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001753869155 1185374654 /nfs/dbraw/zinc/37/46/54/1185374654.db2.gz JBDOCDAHQMIASI-UHFFFAOYSA-N 2 0 267.417 1.439 20 30 CDEDRP C=CCC[NH2+]CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001754371242 1185600578 /nfs/dbraw/zinc/60/05/78/1185600578.db2.gz CVZOAYNTYYRHNR-OAHLLOKOSA-N 2 0 279.428 1.342 20 30 CDEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001754630465 1185689521 /nfs/dbraw/zinc/68/95/21/1185689521.db2.gz GSAMYKGAIRBUPN-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001754734486 1185717814 /nfs/dbraw/zinc/71/78/14/1185717814.db2.gz WNPGRJOCNTTZJP-KRWDZBQOSA-N 2 0 293.455 1.568 20 30 CDEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001754828798 1185741919 /nfs/dbraw/zinc/74/19/19/1185741919.db2.gz QYTVFMJADCQSTQ-HOTGVXAUSA-N 2 0 291.439 1.180 20 30 CDEDRP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001755073374 1185807192 /nfs/dbraw/zinc/80/71/92/1185807192.db2.gz RIRHGMMRSQAOKF-HNNXBMFYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001755745738 1186056028 /nfs/dbraw/zinc/05/60/28/1186056028.db2.gz CSUNJFVXCYDYAP-LSDHHAIUSA-N 2 0 291.439 1.533 20 30 CDEDRP Cc1ccc(NC(=[NH2+])NC[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000303973996 1186582552 /nfs/dbraw/zinc/58/25/52/1186582552.db2.gz HJHSOWVPLXAWCS-CQSZACIVSA-N 2 0 289.427 1.358 20 30 CDEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC001114467280 1165197970 /nfs/dbraw/zinc/19/79/70/1165197970.db2.gz WCPCKZPSRVBYKM-QXSJWSMHSA-N 2 0 291.439 1.483 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001202531250 1165202449 /nfs/dbraw/zinc/20/24/49/1165202449.db2.gz DPTDEVHPNPHETJ-HNNXBMFYSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000985500167 783779402 /nfs/dbraw/zinc/77/94/02/783779402.db2.gz BAXXHXVQTBNOLD-HNNXBMFYSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025598138 783868024 /nfs/dbraw/zinc/86/80/24/783868024.db2.gz VBVSIWXFHQSVTI-CABCVRRESA-N 2 0 291.439 1.485 20 30 CDEDRP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025525591 784126134 /nfs/dbraw/zinc/12/61/34/784126134.db2.gz QBWFNHQMGSFPNY-HOCLYGCPSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001045389890 784380397 /nfs/dbraw/zinc/38/03/97/784380397.db2.gz MDXQMPMLQKMKGL-CQSZACIVSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995887469 784414043 /nfs/dbraw/zinc/41/40/43/784414043.db2.gz PIMGQUJJKCALDJ-CQSZACIVSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034215393 784556428 /nfs/dbraw/zinc/55/64/28/784556428.db2.gz YWFXWCQELHQMOW-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034779142 784650124 /nfs/dbraw/zinc/65/01/24/784650124.db2.gz RMZFBEOCSBVPBU-KKUMJFAQSA-N 2 0 279.428 1.531 20 30 CDEDRP [NH2+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCCCC1 ZINC000304740038 784791578 /nfs/dbraw/zinc/79/15/78/784791578.db2.gz BLOBAGIHCNLZOB-UHFFFAOYSA-N 2 0 294.443 1.432 20 30 CDEDRP CC[N@@H+]1CC[C@H](CNC(NC[C@@]2(C)CCCS2)=[NH+]C)C1 ZINC000262021397 784823977 /nfs/dbraw/zinc/82/39/77/784823977.db2.gz YVWHNEFGNALPNW-UKRRQHHQSA-N 2 0 298.500 1.779 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033197213 784891683 /nfs/dbraw/zinc/89/16/83/784891683.db2.gz HKKLSYDHVAUZQF-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033532389 784932854 /nfs/dbraw/zinc/93/28/54/784932854.db2.gz QGGLHWYAPJPODU-MRXNPFEDSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997515841 784993495 /nfs/dbraw/zinc/99/34/95/784993495.db2.gz NYLBFCFLBARAIC-GOEBONIOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001007787027 785063826 /nfs/dbraw/zinc/06/38/26/785063826.db2.gz MTQIUXJANRYRLV-OAHLLOKOSA-N 2 0 291.439 1.772 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001009347674 785075146 /nfs/dbraw/zinc/07/51/46/785075146.db2.gz TWIYVYXEHLWUBO-ZDUSSCGKSA-N 2 0 276.384 1.417 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](CC)CCC ZINC000811965264 785094978 /nfs/dbraw/zinc/09/49/78/785094978.db2.gz VZORQPUYYZLIKC-CABCVRRESA-N 2 0 279.428 1.321 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033594513 785322288 /nfs/dbraw/zinc/32/22/88/785322288.db2.gz QVMVCVQBZHDCEH-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000838621829 785436168 /nfs/dbraw/zinc/43/61/68/785436168.db2.gz DUXKTEIMVVSROH-OAHLLOKOSA-N 2 0 294.443 1.067 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCCCC[N@@H+]2CCC[C@@H](C)C2)N1 ZINC000848990020 785654212 /nfs/dbraw/zinc/65/42/12/785654212.db2.gz SFJNEKDHWAUMCI-CHWSQXEVSA-N 2 0 252.406 1.436 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000303902100 785820911 /nfs/dbraw/zinc/82/09/11/785820911.db2.gz SYQQIYZGEHGQPR-KFWWJZLASA-N 2 0 298.475 1.684 20 30 CDEDRP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001046805309 786168181 /nfs/dbraw/zinc/16/81/81/786168181.db2.gz LCBRJNUIZWNSKJ-IRXDYDNUSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040528473 786319116 /nfs/dbraw/zinc/31/91/16/786319116.db2.gz LQOOYCQPTSUCJS-NVXWUHKLSA-N 2 0 291.439 1.439 20 30 CDEDRP CC(=O)[C@@](C#N)(CCN1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000877982355 786373409 /nfs/dbraw/zinc/37/34/09/786373409.db2.gz QGCHNYIORHNKQU-JZXOWHBKSA-N 2 0 297.402 1.578 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003972157 786399385 /nfs/dbraw/zinc/39/93/85/786399385.db2.gz VLSXECOUQWSJOK-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033531875 786507792 /nfs/dbraw/zinc/50/77/92/786507792.db2.gz OGAXPQUHEUTVDZ-INIZCTEOSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000876723825 786601332 /nfs/dbraw/zinc/60/13/32/786601332.db2.gz XYTNQGXXNSRYML-AGIUHOORSA-N 2 0 287.835 1.835 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001044826413 786680309 /nfs/dbraw/zinc/68/03/09/786680309.db2.gz ZMRHJVSTBOBARE-KGLIPLIRSA-N 2 0 277.412 1.237 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1(C)C ZINC000996669469 786725123 /nfs/dbraw/zinc/72/51/23/786725123.db2.gz GAKQBEBWIFIQNO-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048720216 786793548 /nfs/dbraw/zinc/79/35/48/786793548.db2.gz IQIXCNUOHZRWRD-ZNMIVQPWSA-N 2 0 277.412 1.047 20 30 CDEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001041409845 786813927 /nfs/dbraw/zinc/81/39/27/786813927.db2.gz SLIJRBRACSNEIN-DOTOQJQBSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989665677 786840054 /nfs/dbraw/zinc/84/00/54/786840054.db2.gz KITIUCHATHWGSI-AWEZNQCLSA-N 2 0 265.401 1.049 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001008278803 786855864 /nfs/dbraw/zinc/85/58/64/786855864.db2.gz QHKGRTJHBGERDN-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000997008618 786959638 /nfs/dbraw/zinc/95/96/38/786959638.db2.gz WADAVBGNIWJQEC-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP C[C@@H](C#N)OCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000801922945 787012722 /nfs/dbraw/zinc/01/27/22/787012722.db2.gz UOVAJVDEKKRRDY-GJZGRUSLSA-N 2 0 265.401 1.865 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000985433725 787085003 /nfs/dbraw/zinc/08/50/03/787085003.db2.gz QDTOATKTZCHRTE-MRXNPFEDSA-N 2 0 291.439 1.437 20 30 CDEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCO[C@@H](C)C#N)C[C@@H]1C ZINC000801924870 787431865 /nfs/dbraw/zinc/43/18/65/787431865.db2.gz XEGINNICIQZRBB-IHRRRGAJSA-N 2 0 253.390 1.720 20 30 CDEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006398016 787497529 /nfs/dbraw/zinc/49/75/29/787497529.db2.gz CFQFDQQKORLQNJ-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001008553008 787557942 /nfs/dbraw/zinc/55/79/42/787557942.db2.gz SRGWZCVPWZHWPH-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028266244 787564913 /nfs/dbraw/zinc/56/49/13/787564913.db2.gz RZSOXXQCBRVMHD-OAHLLOKOSA-N 2 0 291.439 1.629 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000986479222 787744617 /nfs/dbraw/zinc/74/46/17/787744617.db2.gz FLQIHVOXGIAEJM-SWLSCSKDSA-N 2 0 282.347 1.160 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CC=C)CC2)CC1 ZINC000989735215 787763696 /nfs/dbraw/zinc/76/36/96/787763696.db2.gz UIPZAYAXMXZJHL-UHFFFAOYSA-N 2 0 289.423 1.052 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](NC(=O)Cn2cncc2C)[C@@H]1C ZINC000993613806 787813507 /nfs/dbraw/zinc/81/35/07/787813507.db2.gz LEVUWUCXFLFCFT-KBPBESRZSA-N 2 0 276.384 1.347 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC001048975194 787814767 /nfs/dbraw/zinc/81/47/67/787814767.db2.gz RAUMVTUCJCEZCC-GASCZTMLSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001029001700 787816586 /nfs/dbraw/zinc/81/65/86/787816586.db2.gz BIYPBKAUTRAVBE-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001050669170 787845635 /nfs/dbraw/zinc/84/56/35/787845635.db2.gz TVJAPBZNVJSIGC-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001005478017 787918680 /nfs/dbraw/zinc/91/86/80/787918680.db2.gz SYDWEQBQDRKXDP-INIZCTEOSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCCO1 ZINC000883176052 788077558 /nfs/dbraw/zinc/07/75/58/788077558.db2.gz UTVKVIMTFAEMBN-OWCLPIDISA-N 2 0 282.428 1.547 20 30 CDEDRP C[NH+](C)CC1(O)CC[NH+](CCCSCC#N)CC1 ZINC000931485721 788125266 /nfs/dbraw/zinc/12/52/66/788125266.db2.gz QCOYSAKOALHMRZ-UHFFFAOYSA-N 2 0 271.430 1.022 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071795803 788307340 /nfs/dbraw/zinc/30/73/40/788307340.db2.gz NPQBMYOHOLVGCC-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000996563036 788383561 /nfs/dbraw/zinc/38/35/61/788383561.db2.gz ZSWSLBXCUMIUNN-INIZCTEOSA-N 2 0 291.439 1.485 20 30 CDEDRP C[C@@H](CNC(=[NH2+])N1CCCCCC1)C[NH+]1CCN(C)CC1 ZINC000305052828 788403094 /nfs/dbraw/zinc/40/30/94/788403094.db2.gz ICQQTINYAUSSGL-HNNXBMFYSA-N 2 0 295.475 1.061 20 30 CDEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001005998159 788580870 /nfs/dbraw/zinc/58/08/70/788580870.db2.gz RIGASFVSSQNTPD-HOCLYGCPSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001035732865 788618838 /nfs/dbraw/zinc/61/88/38/788618838.db2.gz MBGQAINQXRFJQS-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028263505 788890192 /nfs/dbraw/zinc/89/01/92/788890192.db2.gz QRVNVTGGTFQZHK-AWEZNQCLSA-N 2 0 277.412 1.239 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000985500168 788897878 /nfs/dbraw/zinc/89/78/78/788897878.db2.gz BAXXHXVQTBNOLD-OAHLLOKOSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001027928617 788900565 /nfs/dbraw/zinc/90/05/65/788900565.db2.gz ULHPQHZCWQAXKO-CVEARBPZSA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997517182 788900825 /nfs/dbraw/zinc/90/08/25/788900825.db2.gz VRNYRDKNBFSVEQ-GOEBONIOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001009507353 788912536 /nfs/dbraw/zinc/91/25/36/788912536.db2.gz GYVSUIHHDAJLLO-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001009507351 788950478 /nfs/dbraw/zinc/95/04/78/788950478.db2.gz GYVSUIHHDAJLLO-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC001027503401 789024019 /nfs/dbraw/zinc/02/40/19/789024019.db2.gz PCEFBXMCCHVPLD-AWEZNQCLSA-N 2 0 290.411 1.462 20 30 CDEDRP N#CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817917452 789756424 /nfs/dbraw/zinc/75/64/24/789756424.db2.gz GVXYZXRMXUFKBZ-UKRRQHHQSA-N 2 0 259.353 1.806 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)CCCCC[NH3+])CC1 ZINC000188184533 789792120 /nfs/dbraw/zinc/79/21/20/789792120.db2.gz YMSXIQSSHRDGAO-UHFFFAOYSA-N 2 0 253.390 1.272 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001028097999 789805319 /nfs/dbraw/zinc/80/53/19/789805319.db2.gz JJZVWHKZACTTAA-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001097101304 1166964807 /nfs/dbraw/zinc/96/48/07/1166964807.db2.gz LWPOIFGJJGKJLU-QCODTGAPSA-N 2 0 289.423 1.071 20 30 CDEDRP C#CC[C@H](CCOC)[NH2+][C@@H]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001574504631 1167638366 /nfs/dbraw/zinc/63/83/66/1167638366.db2.gz LHGPVKXWLBWACL-ZJIFWQFVSA-N 2 0 264.413 1.925 20 30 CDEDRP C[NH+](C)CCN1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173331303 912430148 /nfs/dbraw/zinc/43/01/48/912430148.db2.gz CCINPUYXQKLQPA-UHFFFAOYSA-N 2 0 278.444 1.638 20 30 CDEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001175048868 913442664 /nfs/dbraw/zinc/44/26/64/913442664.db2.gz LYPSPYKSVKHBPJ-AWEZNQCLSA-N 2 0 269.433 1.779 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001020676054 894522767 /nfs/dbraw/zinc/52/27/67/894522767.db2.gz PXEKBIJGNSERRG-KKUMJFAQSA-N 2 0 277.412 1.119 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176103236 913960287 /nfs/dbraw/zinc/96/02/87/913960287.db2.gz UCNJYLXJVAUUFO-CQSZACIVSA-N 2 0 267.417 1.533 20 30 CDEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176285105 914018031 /nfs/dbraw/zinc/01/80/31/914018031.db2.gz MXDCJQQQHMUFKD-OAHLLOKOSA-N 2 0 281.444 1.616 20 30 CDEDRP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089336860 914029285 /nfs/dbraw/zinc/02/92/85/914029285.db2.gz ZACLUDIFJNIOCV-CABCVRRESA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001267130064 896881908 /nfs/dbraw/zinc/88/19/08/896881908.db2.gz CEDOTKDMHNXWSO-LSDHHAIUSA-N 2 0 279.428 1.369 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176564004 914179665 /nfs/dbraw/zinc/17/96/65/914179665.db2.gz JPERPZCLOZKVHT-HUUCEWRRSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]12 ZINC001026422073 899879732 /nfs/dbraw/zinc/87/97/32/899879732.db2.gz ZILSNNGVCXHARE-RBSFLKMASA-N 2 0 277.412 1.095 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001027414294 900480967 /nfs/dbraw/zinc/48/09/67/900480967.db2.gz MAPRTZDTTPXZMZ-JKSUJKDBSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000985711927 907021510 /nfs/dbraw/zinc/02/15/10/907021510.db2.gz AGJYQQKLZXTJTN-UHFFFAOYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001036896495 910651751 /nfs/dbraw/zinc/65/17/51/910651751.db2.gz PJBSKBSQVPAISP-CVEARBPZSA-N 2 0 291.439 1.581 20 30 CDEDRP CN(C)/C=[NH+]/c1ccc(Nc2nccnc2C[NH3+])cc1C#N ZINC001171449547 910708735 /nfs/dbraw/zinc/70/87/35/910708735.db2.gz NJMRWGWTNSZFOD-KEBDBYFISA-N 2 0 295.350 1.772 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171540255 910801675 /nfs/dbraw/zinc/80/16/75/910801675.db2.gz XUGHZIVKSZKXLS-CVEARBPZSA-N 2 0 293.455 1.759 20 30 CDEDRP COCCC[NH+]1CCC([NH2+]CCCCC#N)CC1 ZINC001172246931 911516403 /nfs/dbraw/zinc/51/64/03/911516403.db2.gz DLISIVPVJJCMDL-UHFFFAOYSA-N 2 0 253.390 1.771 20 30 CDEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCN(CCC[NH3+])CC1 ZINC001172301634 911543984 /nfs/dbraw/zinc/54/39/84/911543984.db2.gz SLVUVDXZQWVVPD-HNNXBMFYSA-N 2 0 286.423 1.456 20 30 CDEDRP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001089619149 915000465 /nfs/dbraw/zinc/00/04/65/915000465.db2.gz KYBBQPYCMIZGBB-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178689708 915566853 /nfs/dbraw/zinc/56/68/53/915566853.db2.gz WOHMFWXIPCBWHW-HRCADAONSA-N 2 0 291.439 1.462 20 30 CDEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001182486466 917936451 /nfs/dbraw/zinc/93/64/51/917936451.db2.gz OBZKTJZNORWKJR-NVXWUHKLSA-N 2 0 295.471 1.979 20 30 CDEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001182638205 917997469 /nfs/dbraw/zinc/99/74/69/917997469.db2.gz ZLVPFLKAPCEUBS-HLLBOEOZSA-N 2 0 293.455 1.424 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)Nc1c[nH+]ccc1N(C)C ZINC001183039771 918268234 /nfs/dbraw/zinc/26/82/34/918268234.db2.gz YUFBWPAUWGYSEM-UHFFFAOYSA-N 2 0 274.368 1.738 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183165359 918351969 /nfs/dbraw/zinc/35/19/69/918351969.db2.gz YPJFIJVSSJJPQG-BFYDXBDKSA-N 2 0 293.455 1.588 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001183255220 918412249 /nfs/dbraw/zinc/41/22/49/918412249.db2.gz LFZZFVDXYOQOJF-CVEARBPZSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001183391399 918468487 /nfs/dbraw/zinc/46/84/87/918468487.db2.gz RASWTLXPZYMBML-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000996979624 918769913 /nfs/dbraw/zinc/76/99/13/918769913.db2.gz NYLBFCFLBARAIC-GDBMZVCRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCCC[N@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273487694 919191654 /nfs/dbraw/zinc/19/16/54/919191654.db2.gz OKXULZJGZAYJCV-INIZCTEOSA-N 2 0 279.428 1.439 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001184585208 919201531 /nfs/dbraw/zinc/20/15/31/919201531.db2.gz KPUONBWZKZEJGF-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185087243 919399795 /nfs/dbraw/zinc/39/97/95/919399795.db2.gz WVZHXOYSPRCIEU-LSDHHAIUSA-N 2 0 279.428 1.036 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185087240 919400697 /nfs/dbraw/zinc/40/06/97/919400697.db2.gz WVZHXOYSPRCIEU-CABCVRRESA-N 2 0 279.428 1.036 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185384909 919566827 /nfs/dbraw/zinc/56/68/27/919566827.db2.gz FYKRCIXXVLYHHO-GOEBONIOSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001185551505 919652639 /nfs/dbraw/zinc/65/26/39/919652639.db2.gz ZWNMJHXDQILEOS-JKSUJKDBSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001187304285 920486844 /nfs/dbraw/zinc/48/68/44/920486844.db2.gz GWBVDCKQNYTGMS-HRCADAONSA-N 2 0 291.439 1.580 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001203010831 936685346 /nfs/dbraw/zinc/68/53/46/936685346.db2.gz WLWWKQCWSLCONM-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001188317940 920967888 /nfs/dbraw/zinc/96/78/88/920967888.db2.gz XLAPQSKHTYDGFN-OAHLLOKOSA-N 2 0 279.428 1.629 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203028379 936706718 /nfs/dbraw/zinc/70/67/18/936706718.db2.gz MUMCFPPCOYKSDE-KGLIPLIRSA-N 2 0 291.439 1.674 20 30 CDEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190084499 921832869 /nfs/dbraw/zinc/83/28/69/921832869.db2.gz OMHVKDFGIAYTLI-HOTGVXAUSA-N 2 0 291.439 1.415 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190654647 922123339 /nfs/dbraw/zinc/12/33/39/922123339.db2.gz KRXKPIQSNMZZEP-HOTGVXAUSA-N 2 0 293.455 1.826 20 30 CDEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001190945824 922302210 /nfs/dbraw/zinc/30/22/10/922302210.db2.gz FQTJPZXKUFVUID-HUUCEWRRSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191543506 922628898 /nfs/dbraw/zinc/62/88/98/922628898.db2.gz OPWMZEUKDQXUDW-OAHLLOKOSA-N 2 0 291.439 1.417 20 30 CDEDRP N#Cc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)nc1 ZINC001205571026 922762232 /nfs/dbraw/zinc/76/22/32/922762232.db2.gz RSPXTRGJIOVVHB-AWEZNQCLSA-N 2 0 262.332 1.606 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192007884 922869027 /nfs/dbraw/zinc/86/90/27/922869027.db2.gz SPZIWUMJFMVOAB-CYBMUJFWSA-N 2 0 253.390 1.047 20 30 CDEDRP C=C(C[NH+]1CCCCC1)C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C ZINC001273147684 923366357 /nfs/dbraw/zinc/36/63/57/923366357.db2.gz ZAFPTKUGXSWLJI-GJZGRUSLSA-N 2 0 277.412 1.334 20 30 CDEDRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000923422820 923820778 /nfs/dbraw/zinc/82/07/78/923820778.db2.gz SSBKPCPAVINTJW-MCIONIFRSA-N 2 0 259.353 1.307 20 30 CDEDRP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039178 924028117 /nfs/dbraw/zinc/02/81/17/924028117.db2.gz LDCQOMDBVLPEGR-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001194266704 924140979 /nfs/dbraw/zinc/14/09/79/924140979.db2.gz YSSTYGOLGZSRNL-JKSUJKDBSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001199788109 925859718 /nfs/dbraw/zinc/85/97/18/925859718.db2.gz LQAVBNPCKGMFGJ-HNNXBMFYSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102087912 937041256 /nfs/dbraw/zinc/04/12/56/937041256.db2.gz BEVLQRPOWPSAIP-BZUAXINKSA-N 2 0 295.471 1.977 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC1 ZINC001085648555 926254660 /nfs/dbraw/zinc/25/46/60/926254660.db2.gz PFKJMMSJNQFLRS-CVEARBPZSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102598843 937067798 /nfs/dbraw/zinc/06/77/98/937067798.db2.gz CFMBNSLDSNKSBY-HZPDHXFCSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085968609 926553768 /nfs/dbraw/zinc/55/37/68/926553768.db2.gz MFXDDHDFSJMVMA-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085973029 926564859 /nfs/dbraw/zinc/56/48/59/926564859.db2.gz NFQCVRWCTMXEMP-KGLIPLIRSA-N 2 0 265.401 1.047 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCC)CC1 ZINC001085985057 926570359 /nfs/dbraw/zinc/57/03/59/926570359.db2.gz RLTONRXGBHLTCU-INIZCTEOSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001086119727 926724444 /nfs/dbraw/zinc/72/44/44/926724444.db2.gz YNYRSXXUJMWXBB-QXSJWSMHSA-N 2 0 289.423 1.121 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001086499957 927217683 /nfs/dbraw/zinc/21/76/83/927217683.db2.gz GFTFVNHNQLNFOL-VGWMRTNUSA-N 2 0 289.423 1.121 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001202504293 929145813 /nfs/dbraw/zinc/14/58/13/929145813.db2.gz SODUMGJQESQFBM-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP Cc1cc(NNC2=CC(=O)N3CCCC[C@@H]23)ccn1 ZINC000863159622 929510873 /nfs/dbraw/zinc/51/08/73/929510873.db2.gz XZTXAIQHQFAIBR-ZDUSSCGKSA-N 2 0 258.325 1.365 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)C[C@@H](C)n1ccnc1 ZINC001134499083 929773374 /nfs/dbraw/zinc/77/33/74/929773374.db2.gz WCKKZNNGCWVEBO-GFCCVEGCSA-N 2 0 250.346 1.116 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773733 929892245 /nfs/dbraw/zinc/89/22/45/929892245.db2.gz RAXRHYURNQMRDM-QWHCGFSZSA-N 2 0 267.417 1.223 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N(C)CCC[NH+]1CCCC1 ZINC000799025430 937373484 /nfs/dbraw/zinc/37/34/84/937373484.db2.gz VLQLRRULKCQRBM-HNNXBMFYSA-N 2 0 277.412 1.028 20 30 CDEDRP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135979922 930580516 /nfs/dbraw/zinc/58/05/16/930580516.db2.gz KGSCKSWCUJNAEJ-HUUCEWRRSA-N 2 0 299.459 1.404 20 30 CDEDRP N#Cc1cnc2nc(Cl)ccc2c1N[C@@H]([NH3+])CCC[NH3+] ZINC001170895999 930688500 /nfs/dbraw/zinc/68/85/00/930688500.db2.gz BNIOQTIUIOMSIR-LLVKDONJSA-N 2 0 290.758 1.590 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153381251 937443839 /nfs/dbraw/zinc/44/38/39/937443839.db2.gz HIFHRVSJYCHQNS-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP C[NH+](C)CCN1CC[C@]2(CCC[N@H+](CCC#N)CC2)C1=O ZINC001274031168 931130051 /nfs/dbraw/zinc/13/00/51/931130051.db2.gz JGZFGXHQWUJTRP-MRXNPFEDSA-N 2 0 292.427 1.166 20 30 CDEDRP C#CC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154070184 937500151 /nfs/dbraw/zinc/50/01/51/937500151.db2.gz RYYWIVVSTGFRES-CYBMUJFWSA-N 2 0 267.417 1.177 20 30 CDEDRP NC(=O)c1ccc(C(=[NH2+])Nc2cccc3c2C[NH2+]CC3)cc1 ZINC001171256486 932154300 /nfs/dbraw/zinc/15/43/00/932154300.db2.gz JSZUGUIWTOBOTA-UHFFFAOYSA-N 2 0 294.358 1.468 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)CC)C2)C1 ZINC001147811580 932605134 /nfs/dbraw/zinc/60/51/34/932605134.db2.gz QHKMCAYWJIDJCL-UHFFFAOYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001148838600 932795524 /nfs/dbraw/zinc/79/55/24/932795524.db2.gz BPYFWKIFVJRPOW-UHFFFAOYSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](CC)CC ZINC001155900134 937686252 /nfs/dbraw/zinc/68/62/52/937686252.db2.gz BIVVLNKULFEFTQ-CQSZACIVSA-N 2 0 267.417 1.178 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001111229084 934286835 /nfs/dbraw/zinc/28/68/35/934286835.db2.gz VOVXIOPMJPDYEO-MCIONIFRSA-N 2 0 265.401 1.236 20 30 CDEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001111407274 934757622 /nfs/dbraw/zinc/75/76/22/934757622.db2.gz PSIWMACMUGWEPA-JJXSEGSLSA-N 2 0 291.439 1.626 20 30 CDEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001114794309 934969704 /nfs/dbraw/zinc/96/97/04/934969704.db2.gz GMJNRWMNFAUXHD-FXUDXRNXSA-N 2 0 293.455 1.585 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC001120596035 937815761 /nfs/dbraw/zinc/81/57/61/937815761.db2.gz ADNBEBFSCGAHGV-CQSZACIVSA-N 2 0 294.443 1.407 20 30 CDEDRP CC(C)CCNC(=[NH2+])NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000303789160 935043364 /nfs/dbraw/zinc/04/33/64/935043364.db2.gz VEGFFXCGABKYFL-CQSZACIVSA-N 2 0 284.448 1.294 20 30 CDEDRP COCC[N@H+](C)CCCNC(=[NH2+])NCCc1ccccc1 ZINC000303881062 935046142 /nfs/dbraw/zinc/04/61/42/935046142.db2.gz HIQXHOVYQHBSGR-UHFFFAOYSA-N 2 0 292.427 1.102 20 30 CDEDRP C=C[C@@H](O)CN(CC[NH+](CC)CC)CC[NH+](CC)CC ZINC001253584933 935267725 /nfs/dbraw/zinc/26/77/25/935267725.db2.gz SOMUHYPQEWUINV-MRXNPFEDSA-N 2 0 285.476 1.519 20 30 CDEDRP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001041410290 935797993 /nfs/dbraw/zinc/79/79/93/935797993.db2.gz XJALPCTUGZJKLC-WBVHZDCISA-N 2 0 289.423 1.028 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001121653163 937879336 /nfs/dbraw/zinc/87/93/36/937879336.db2.gz AGCPQUHLLZATSN-UHFFFAOYSA-N 2 0 291.439 1.531 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890461 938429395 /nfs/dbraw/zinc/42/93/95/938429395.db2.gz LWUADVXQVJAPKZ-KGLIPLIRSA-N 2 0 267.417 1.341 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001158079756 938580541 /nfs/dbraw/zinc/58/05/41/938580541.db2.gz PHPJFRCBJKTDMT-UHFFFAOYSA-N 2 0 281.444 1.923 20 30 CDEDRP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001159628789 938742293 /nfs/dbraw/zinc/74/22/93/938742293.db2.gz QJFQZLMSYBXBEE-MRXNPFEDSA-N 2 0 291.439 1.795 20 30 CDEDRP N#Cc1ccc(C(F)(F)N[C@H]([NH3+])CCC[NH3+])nc1Cl ZINC001159780295 938752191 /nfs/dbraw/zinc/75/21/91/938752191.db2.gz WYABWBNLBMHOMJ-VIFPVBQESA-N 2 0 289.717 1.269 20 30 CDEDRP Cc1ccc(C#N)c(NCCC[NH2+]CCCC[NH3+])n1 ZINC001162289931 938972095 /nfs/dbraw/zinc/97/20/95/938972095.db2.gz FPTNZTSRIMOXIU-UHFFFAOYSA-N 2 0 261.373 1.392 20 30 CDEDRP N#Cc1cc(Cl)cnc1NCCC[NH2+]CCCC[NH3+] ZINC001162293296 938972278 /nfs/dbraw/zinc/97/22/78/938972278.db2.gz WOUVMXAJGQDLLW-UHFFFAOYSA-N 2 0 281.791 1.737 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc2c(C#N)c[nH]c2n1 ZINC001163126021 939206917 /nfs/dbraw/zinc/20/69/17/939206917.db2.gz NHDVEQSBZSLKHY-UHFFFAOYSA-N 2 0 299.382 1.713 20 30 CDEDRP C=CC(NCc1cccnc1C1CC[NH2+]CC1)=[NH+]COC ZINC001163908846 939348501 /nfs/dbraw/zinc/34/85/01/939348501.db2.gz MQYXVBOTLXTRHO-UHFFFAOYSA-N 2 0 288.395 1.827 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001165501576 939568087 /nfs/dbraw/zinc/56/80/87/939568087.db2.gz LODSWHBZYIORDU-UHFFFAOYSA-N 2 0 293.455 1.923 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001203852434 939707459 /nfs/dbraw/zinc/70/74/59/939707459.db2.gz BXVGLJSEBAHRLG-GJZGRUSLSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001204056262 939726220 /nfs/dbraw/zinc/72/62/20/939726220.db2.gz FKEQDCSFWBWSLY-UHFFFAOYSA-N 2 0 291.439 1.466 20 30 CDEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](CCCC[NH3+])C2)C1 ZINC001205001179 939812675 /nfs/dbraw/zinc/81/26/75/939812675.db2.gz OWVFHZQOTTYHHX-MRXNPFEDSA-N 2 0 295.427 1.836 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001205524474 939895206 /nfs/dbraw/zinc/89/52/06/939895206.db2.gz MLGWLXQRQHMXFA-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C/C(=[NH+]\COC)c1cccc(N2CC[NH2+]CC2)c1 ZINC001205895331 939952529 /nfs/dbraw/zinc/95/25/29/939952529.db2.gz XMDDERMKGWBPAX-BMRADRMJSA-N 2 0 259.353 1.675 20 30 CDEDRP C=CCN(CC[N@@H+]1CCCC[C@H](C[NH3+])C1)C(=O)OCC ZINC001206606821 940071111 /nfs/dbraw/zinc/07/11/11/940071111.db2.gz TXOLPXWQHHCXAI-CQSZACIVSA-N 2 0 283.416 1.692 20 30 CDEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001206928638 940112601 /nfs/dbraw/zinc/11/26/01/940112601.db2.gz CVFPXBVOFQZOGW-UHFFFAOYSA-N 2 0 293.455 1.877 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001206951222 940116276 /nfs/dbraw/zinc/11/62/76/940116276.db2.gz FKDLPDLTRGTNMF-UHFFFAOYSA-N 2 0 293.455 1.877 20 30 CDEDRP N#Cc1ncc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1F ZINC001238993354 945299663 /nfs/dbraw/zinc/29/96/63/945299663.db2.gz YJNDJHKYYWZRNY-UHFFFAOYSA-N 2 0 283.310 1.564 20 30 CDEDRP C=CCOC(=O)N[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001207403277 940190074 /nfs/dbraw/zinc/19/00/74/940190074.db2.gz SDAKQELWYRTAJA-HNNXBMFYSA-N 2 0 295.427 1.705 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001208333912 940321110 /nfs/dbraw/zinc/32/11/10/940321110.db2.gz AGVTZWOIALIYET-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208491335 940335287 /nfs/dbraw/zinc/33/52/87/940335287.db2.gz GRJFDKJZMOGIJN-HNNXBMFYSA-N 2 0 291.439 1.772 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214664059 940835281 /nfs/dbraw/zinc/83/52/81/940835281.db2.gz JOCMLVVKUYVIHR-KLHDSHLOSA-N 2 0 293.455 1.729 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214889894 940843961 /nfs/dbraw/zinc/84/39/61/940843961.db2.gz RDLBJPNGSIFUAD-BZUAXINKSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001215002073 940851052 /nfs/dbraw/zinc/85/10/52/940851052.db2.gz YEVVEDKMZBTFBD-CHWSQXEVSA-N 2 0 267.417 1.339 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218641853 941250100 /nfs/dbraw/zinc/25/01/00/941250100.db2.gz XUAOXJKQXSHPEM-AWEZNQCLSA-N 2 0 291.399 1.430 20 30 CDEDRP C#CC1(NC(=O)[C@H](CCCC[NH3+])[NH2+]C)CCCCC1 ZINC001221275953 941509033 /nfs/dbraw/zinc/50/90/33/941509033.db2.gz KPOCITWPISKCJX-ZDUSSCGKSA-N 2 0 265.401 1.156 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001223467396 941680240 /nfs/dbraw/zinc/68/02/40/941680240.db2.gz ZMFKZSVBLHAJFS-INIZCTEOSA-N 2 0 293.455 1.731 20 30 CDEDRP C[N+](C)(C)CCO[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001224775973 941790431 /nfs/dbraw/zinc/79/04/31/941790431.db2.gz QLWMCWYXLKOXDK-QGZVFWFLSA-N 2 0 288.415 1.855 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001225346088 941846936 /nfs/dbraw/zinc/84/69/36/941846936.db2.gz IPHSCWGNPYBVOW-KFWWJZLASA-N 2 0 277.412 1.121 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](C)C ZINC001227047477 942120747 /nfs/dbraw/zinc/12/07/47/942120747.db2.gz HKBQXPAWCHHGDU-MGPQQGTHSA-N 2 0 267.417 1.530 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228239004 942284124 /nfs/dbraw/zinc/28/41/24/942284124.db2.gz MRALOBXIFPCKBY-HUUCEWRRSA-N 2 0 293.455 1.921 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C ZINC001229746681 942524698 /nfs/dbraw/zinc/52/46/98/942524698.db2.gz QVNALBZFHBJXED-KFWWJZLASA-N 2 0 279.428 1.367 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC001230094188 942584818 /nfs/dbraw/zinc/58/48/18/942584818.db2.gz OTIFHCIVDQPNFM-UHFFFAOYSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001230107671 942585053 /nfs/dbraw/zinc/58/50/53/942585053.db2.gz SGCVVOBUUFTQIM-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001230378801 942615555 /nfs/dbraw/zinc/61/55/55/942615555.db2.gz VLGUPXFFJDKZJL-INIZCTEOSA-N 2 0 291.439 1.321 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001263172173 943774729 /nfs/dbraw/zinc/77/47/29/943774729.db2.gz MJEDZYGLGJISAT-MELADBBJSA-N 2 0 267.417 1.637 20 30 CDEDRP N#Cc1ccc2c(CN3C[C@H]4CC[C@]4([NH3+])C3)c[nH]c2c1 ZINC001235990240 944354659 /nfs/dbraw/zinc/35/46/59/944354659.db2.gz MCEQROIFZQSIRX-CJNGLKHVSA-N 2 0 266.348 1.963 20 30 CDEDRP N#Cc1cc(-c2cc3c(nn2)CC[NH2+]C3)cc(C2C[NH2+]C2)c1 ZINC001240337876 945794580 /nfs/dbraw/zinc/79/45/80/945794580.db2.gz DUFFZRFWDPQOLX-UHFFFAOYSA-N 2 0 291.358 1.348 20 30 CDEDRP C=CCN1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)C1=O ZINC001254510398 947474341 /nfs/dbraw/zinc/47/43/41/947474341.db2.gz VLFSIXPTUQYTFH-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP CC[C@@H](CC#N)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001255173750 947764010 /nfs/dbraw/zinc/76/40/10/947764010.db2.gz PSKMDZPUJDQCQK-HNNXBMFYSA-N 2 0 268.449 1.884 20 30 CDEDRP C=CCCCCCC[C@@H](O)C[NH2+]CCNCC[NH3+] ZINC001246010049 947889846 /nfs/dbraw/zinc/88/98/46/947889846.db2.gz WDOXSUDOOPFACX-CQSZACIVSA-N 2 0 257.422 1.012 20 30 CDEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001246088480 947937138 /nfs/dbraw/zinc/93/71/38/947937138.db2.gz KBFLUSIOQNCMNJ-VBNZEHGJSA-N 2 0 291.370 1.141 20 30 CDEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2CCC3(C[NH2+]C3)C2)cc1 ZINC001246306371 948094885 /nfs/dbraw/zinc/09/48/85/948094885.db2.gz UKALIOCLXWVRSH-CYBMUJFWSA-N 2 0 287.363 1.321 20 30 CDEDRP C[C@H]1C[C@H]([NH2+]CCOc2ccc(C#N)cc2)CC[NH2+]1 ZINC001246332117 948111263 /nfs/dbraw/zinc/11/12/63/948111263.db2.gz ZLGYPBFZYIKFAY-GXTWGEPZSA-N 2 0 259.353 1.667 20 30 CDEDRP C=CC[NH+]1CCN([C@@H](C)CC[NH+](CC)CC)CC1 ZINC001255962332 948139338 /nfs/dbraw/zinc/13/93/38/948139338.db2.gz ULKULRALXJNMSG-HNNXBMFYSA-N 2 0 253.434 1.910 20 30 CDEDRP N#CC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256853827 948434905 /nfs/dbraw/zinc/43/49/05/948434905.db2.gz VNQOMYIQGJNDMW-UHFFFAOYSA-N 2 0 256.353 1.944 20 30 CDEDRP C#CCOC[C@@H](O)C[NH2+]CCC[NH+](CCCC)CCCC ZINC001251885506 950914533 /nfs/dbraw/zinc/91/45/33/950914533.db2.gz XERGCFODRPYTDP-KRWDZBQOSA-N 2 0 298.471 1.879 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]CC1CC[NH+](C(C)C)CC1 ZINC001252481675 951342423 /nfs/dbraw/zinc/34/24/23/951342423.db2.gz FNHMIWROPRCEIB-HNNXBMFYSA-N 2 0 270.417 1.260 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]CC1CC[NH+](CC2CCC2)CC1 ZINC001252495724 951369693 /nfs/dbraw/zinc/36/96/93/951369693.db2.gz QNQBGRLGAPRQCK-KRWDZBQOSA-N 2 0 296.455 1.652 20 30 CDEDRP C=C[C@@](C)(O)C[NH2+]CCc1ccc(C[NH+](C)C)cc1 ZINC001252577241 951469190 /nfs/dbraw/zinc/46/91/90/951469190.db2.gz XATOIFGRGJSMMA-MRXNPFEDSA-N 2 0 262.397 1.817 20 30 CDEDRP C=C[C@H](O)C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001253586502 951977751 /nfs/dbraw/zinc/97/77/51/951977751.db2.gz NVUVLGYTCAQXFJ-SQNIBIBYSA-N 2 0 286.419 1.987 20 30 CDEDRP C=C[C@@H](O)C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001253606510 951991384 /nfs/dbraw/zinc/99/13/84/951991384.db2.gz ISKLPLCNJIREHV-OAHLLOKOSA-N 2 0 268.401 1.014 20 30 CDEDRP C=C[C@H](O)C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001253607085 951992782 /nfs/dbraw/zinc/99/27/82/951992782.db2.gz ROUZVJVMTHWQAA-HNNXBMFYSA-N 2 0 252.402 1.778 20 30 CDEDRP N#CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC001326473403 954398427 /nfs/dbraw/zinc/39/84/27/954398427.db2.gz JJOYBDYPQPAXAH-HIFRSBDPSA-N 2 0 259.353 1.806 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001365820973 956388884 /nfs/dbraw/zinc/38/88/84/956388884.db2.gz ZGORYXSSQRMSDV-FRRDWIJNSA-N 2 0 287.835 1.564 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC001340351158 962904042 /nfs/dbraw/zinc/90/40/42/962904042.db2.gz NHMCEYCKFKSOOL-UONOGXRCSA-N 2 0 267.417 1.613 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001420521104 963003969 /nfs/dbraw/zinc/00/39/69/963003969.db2.gz XXNAGTQTFPBOJB-ZDUSSCGKSA-N 2 0 287.835 1.709 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001341768949 963537793 /nfs/dbraw/zinc/53/77/93/963537793.db2.gz XHFZSWSEQCHVJD-CQSZACIVSA-N 2 0 279.428 1.662 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001353729564 968190459 /nfs/dbraw/zinc/19/04/59/968190459.db2.gz UTPKHNZNPZMHBS-RDBSUJKOSA-N 2 0 265.401 1.365 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001100563555 968711078 /nfs/dbraw/zinc/71/10/78/968711078.db2.gz MWHBCFABSLRNAZ-UHFFFAOYSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001498805771 974068193 /nfs/dbraw/zinc/06/81/93/974068193.db2.gz RBTNTPKUFJSNET-HOTGVXAUSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001378556928 975392932 /nfs/dbraw/zinc/39/29/32/975392932.db2.gz PCKHRCDLHAGZJN-PWSUYJOCSA-N 2 0 273.808 1.175 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001382054204 977142061 /nfs/dbraw/zinc/14/20/61/977142061.db2.gz ZUHKWEWXXPQDIM-VXGBXAGGSA-N 2 0 273.808 1.270 20 30 CDEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132519461 1163339208 /nfs/dbraw/zinc/33/92/08/1163339208.db2.gz ZFTYGGWFFZTFQL-GJZGRUSLSA-N 2 0 281.444 1.872 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001132739833 1163461243 /nfs/dbraw/zinc/46/12/43/1163461243.db2.gz WCGPFZVUWSADKY-OAHLLOKOSA-N 2 0 281.444 1.780 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132931815 1163512227 /nfs/dbraw/zinc/51/22/27/1163512227.db2.gz DLTXPPVCCKCBJA-LSDHHAIUSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132985446 1163528184 /nfs/dbraw/zinc/52/81/84/1163528184.db2.gz GRLHQQIWXYNFLF-UHFFFAOYSA-N 2 0 279.384 1.627 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001133346542 1163643923 /nfs/dbraw/zinc/64/39/23/1163643923.db2.gz MOFFZAQSBNZHPV-CVEARBPZSA-N 2 0 295.471 1.977 20 30 CDEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001574959668 1171061530 /nfs/dbraw/zinc/06/15/30/1171061530.db2.gz JBTWGSOCYWHVPN-MCIONIFRSA-N 2 0 266.385 1.078 20 30 CDEDRP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@@H](C)CCC#N)CC1 ZINC001578680610 1171979308 /nfs/dbraw/zinc/97/93/08/1171979308.db2.gz XOGGZQGSFYQNOA-AWEZNQCLSA-N 2 0 294.443 1.506 20 30 CDEDRP C=CCN(CCc1ccco1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351592611 361783813 /nfs/dbraw/zinc/78/38/13/361783813.db2.gz KUAVWLMRWJKDLG-OAHLLOKOSA-N 2 0 278.396 1.765 20 30 CDEDRP CNC(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)=[NH+]C ZINC000264105323 361919778 /nfs/dbraw/zinc/91/97/78/361919778.db2.gz PDKAWEFENXSOFE-HNNXBMFYSA-N 2 0 274.412 1.836 20 30 CDEDRP N#C[C@@H]1CC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000442784060 362090511 /nfs/dbraw/zinc/09/05/11/362090511.db2.gz SHKDPPZLVAVNBJ-RBSFLKMASA-N 2 0 265.401 1.505 20 30 CDEDRP N#Cc1ccc(CC[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000595894987 343182865 /nfs/dbraw/zinc/18/28/65/343182865.db2.gz ABTAFOXBPOVJPU-KRWDZBQOSA-N 2 0 284.407 1.080 20 30 CDEDRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)CC(C)(C)C#N)CCCO1 ZINC000598723512 343884870 /nfs/dbraw/zinc/88/48/70/343884870.db2.gz IXKQUOMLWJGHKX-CABCVRRESA-N 2 0 297.443 1.378 20 30 CDEDRP CC(C)(O)C[NH+]1CCC([NH2+]CCCCC#N)CC1 ZINC000602540727 344473023 /nfs/dbraw/zinc/47/30/23/344473023.db2.gz NDSKGVGAYYBGMA-UHFFFAOYSA-N 2 0 253.390 1.505 20 30 CDEDRP CC[NH+]1CCN([C@H]2CC[N@H+](CC3(CC#N)CC3)C2)CC1 ZINC000602775297 344578317 /nfs/dbraw/zinc/57/83/17/344578317.db2.gz GYPAEWIAOMOYEC-HNNXBMFYSA-N 2 0 276.428 1.392 20 30 CDEDRP CC#CC[N@H+](CCC)CCN1CC[NH+](CC)CC1 ZINC000344125011 345663214 /nfs/dbraw/zinc/66/32/14/345663214.db2.gz HULLPVNLLOEUBJ-UHFFFAOYSA-N 2 0 251.418 1.359 20 30 CDEDRP CN1CC[NH+](CCCC[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602508396 350115645 /nfs/dbraw/zinc/11/56/45/350115645.db2.gz BUOMZRRSLZHIDP-UHFFFAOYSA-N 2 0 287.411 1.070 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000580309342 365985536 /nfs/dbraw/zinc/98/55/36/365985536.db2.gz RGTKBQJGRFMNHR-RYUDHWBXSA-N 2 0 268.405 1.062 20 30 CDEDRP C=CCNC(=[NH2+])NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000264322367 363032728 /nfs/dbraw/zinc/03/27/28/363032728.db2.gz XXXWNKGJXJZKJM-UHFFFAOYSA-N 2 0 290.411 1.260 20 30 CDEDRP C=CCNC(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352505234 363560568 /nfs/dbraw/zinc/56/05/68/363560568.db2.gz ZHIOAAFUSQDTNQ-UHFFFAOYSA-N 2 0 253.390 1.130 20 30 CDEDRP CC(C)[NH+](CCNC(=[NH2+])Nc1ccccn1)C(C)C ZINC000170905687 365158320 /nfs/dbraw/zinc/15/83/20/365158320.db2.gz QSMZWCDFRSDYFV-UHFFFAOYSA-N 2 0 263.389 1.927 20 30 CDEDRP C[C@H]1C[NH+]=C(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)N1 ZINC000262629341 370438276 /nfs/dbraw/zinc/43/82/76/370438276.db2.gz FIOYPSOUXVCUDN-DZGCQCFKSA-N 2 0 272.396 1.588 20 30 CDEDRP CNC(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246173658 376532603 /nfs/dbraw/zinc/53/26/03/376532603.db2.gz MRZKVRAHCQLEDS-ZYHUDNBSSA-N 2 0 266.414 1.665 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CCC([NH3+])CC2)CC1 ZINC000417518037 377816818 /nfs/dbraw/zinc/81/68/18/377816818.db2.gz AJPARHLGVCWRSY-UHFFFAOYSA-N 2 0 294.443 1.596 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000417533147 377866677 /nfs/dbraw/zinc/86/66/77/377866677.db2.gz UJBAFADXTHFGBB-CQSZACIVSA-N 2 0 280.416 1.160 20 30 CDEDRP COCCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442778546 391029799 /nfs/dbraw/zinc/02/97/99/391029799.db2.gz HDQXSFHXLZZWIA-UKRRQHHQSA-N 2 0 265.401 1.769 20 30 CDEDRP NC(=[NH2+])NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000267412296 391193813 /nfs/dbraw/zinc/19/38/13/391193813.db2.gz YMEWGEJCDBEHEY-UHFFFAOYSA-N 2 0 290.411 1.331 20 30 CDEDRP N#C[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000192851141 392239840 /nfs/dbraw/zinc/23/98/40/392239840.db2.gz FCENHRKDDBJGJY-OWCLPIDISA-N 2 0 279.428 1.895 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]([NH3+])CC)C(C)C ZINC000236907577 130985495 /nfs/dbraw/zinc/98/54/95/130985495.db2.gz BGLHKJNQDVVQFI-UONOGXRCSA-N 2 0 267.417 1.539 20 30 CDEDRP C=CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(CC)CC2)C1 ZINC000661379526 414035843 /nfs/dbraw/zinc/03/58/43/414035843.db2.gz ZCIKTYFWYNVYNP-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC(C[NH2+]CC)CC1 ZINC000130005612 260391569 /nfs/dbraw/zinc/39/15/69/260391569.db2.gz ARMMJOOMOPQXBZ-UHFFFAOYSA-N 2 0 279.428 1.509 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC[C@H](C)[N@H+](C)C1CC1 ZINC000264050763 262860000 /nfs/dbraw/zinc/86/00/00/262860000.db2.gz MATABWUCOLCYNQ-NSHDSACASA-N 2 0 264.373 1.427 20 30 CDEDRP CCNC(=[NH2+])NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000274812234 263030585 /nfs/dbraw/zinc/03/05/85/263030585.db2.gz VWYPALDJSRTXFJ-OAHLLOKOSA-N 2 0 274.412 1.821 20 30 CDEDRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CC[C@H](C#N)C2)CC1 ZINC000330450669 263955704 /nfs/dbraw/zinc/95/57/04/263955704.db2.gz JEKMRGHUDUPRPO-BPUTZDHNSA-N 2 0 279.428 1.703 20 30 CDEDRP C[NH+]=C(NCc1ccoc1)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262022539 328143849 /nfs/dbraw/zinc/14/38/49/328143849.db2.gz ZCBYTHZVZDHLSC-FZMZJTMJSA-N 2 0 276.384 1.427 20 30 CDEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170907966 329072041 /nfs/dbraw/zinc/07/20/41/329072041.db2.gz OIMJSAYMIVRDPI-CYBMUJFWSA-N 2 0 291.399 1.165 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(C)CCOCC1 ZINC000262196362 330001657 /nfs/dbraw/zinc/00/16/57/330001657.db2.gz ZHVKJVVGFCXAJW-CYBMUJFWSA-N 2 0 282.432 1.192 20 30 CDEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)C1 ZINC000262295615 330004669 /nfs/dbraw/zinc/00/46/69/330004669.db2.gz NJFSZHPMQCBQOR-CABCVRRESA-N 2 0 296.459 1.390 20 30 CDEDRP C[NH+]=C(N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)N(C)C ZINC000262850426 330035325 /nfs/dbraw/zinc/03/53/25/330035325.db2.gz ZNPBREHSBCVHOT-DZGCQCFKSA-N 2 0 274.412 1.959 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](C)C[NH2+]C)C(C)C ZINC000269250461 330068099 /nfs/dbraw/zinc/06/80/99/330068099.db2.gz XYTQWBKDMAXAGH-GJZGRUSLSA-N 2 0 281.444 1.657 20 30 CDEDRP C=CC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423153098 330173033 /nfs/dbraw/zinc/17/30/33/330173033.db2.gz MYOSLSQRKODYJL-BFHYXJOUSA-N 2 0 252.402 1.945 20 30 CDEDRP C=CCC[C@H]([NH2+]CCCN1CC[NH2+]CC1)C1CC1 ZINC000423181702 330175326 /nfs/dbraw/zinc/17/53/26/330175326.db2.gz PHYFTRIKGPLNSR-HNNXBMFYSA-N 2 0 251.418 1.616 20 30 CDEDRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424154802 330301887 /nfs/dbraw/zinc/30/18/87/330301887.db2.gz MAMDFRWZTQAJGN-KBPBESRZSA-N 2 0 294.443 1.634 20 30 CDEDRP C=C(C)CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000515213563 330473237 /nfs/dbraw/zinc/47/32/37/330473237.db2.gz KQMCQJPFQARTLG-UHFFFAOYSA-N 2 0 270.421 1.087 20 30 CDEDRP C=C(C)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001754459559 1159218362 /nfs/dbraw/zinc/21/83/62/1159218362.db2.gz ACQYTMHCMZNBIL-AWEZNQCLSA-N 2 0 265.401 1.143 20 30 CDEDRP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001754569391 1159281813 /nfs/dbraw/zinc/28/18/13/1159281813.db2.gz NECCDYICBBLBGH-QGZVFWFLSA-N 2 0 291.439 1.276 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001731651608 1159322194 /nfs/dbraw/zinc/32/21/94/1159322194.db2.gz GCSNMDCRAJQNFP-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP CC#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C ZINC001755835961 1186084477 /nfs/dbraw/zinc/08/44/77/1186084477.db2.gz JZOQXIVGQRPDIT-AWEZNQCLSA-N 2 0 281.444 1.472 20 30 CDEDRP C=CC[NH+]1CCC(NC(=S)NC2CC[NH+](C)CC2)CC1 ZINC000729941779 574831915 /nfs/dbraw/zinc/83/19/15/574831915.db2.gz CCGDXUBRCHKUDU-UHFFFAOYSA-N 2 0 296.484 1.195 20 30 CDEDRP C#CCCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000774731097 575235397 /nfs/dbraw/zinc/23/53/97/575235397.db2.gz SYWJDRHZIJFJIN-UHFFFAOYSA-N 2 0 251.418 1.358 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC000971711881 613089242 /nfs/dbraw/zinc/08/92/42/613089242.db2.gz FSPAIMXYMXTLPB-CABCVRRESA-N 2 0 277.412 1.027 20 30 CDEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000970330031 612996693 /nfs/dbraw/zinc/99/66/93/612996693.db2.gz YQFXKSCCSXRIMP-KKUMJFAQSA-N 2 0 291.439 1.177 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000947551143 613236487 /nfs/dbraw/zinc/23/64/87/613236487.db2.gz GFHMPVMVAHFTOQ-DZGCQCFKSA-N 2 0 296.374 1.550 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC000947551144 613270137 /nfs/dbraw/zinc/27/01/37/613270137.db2.gz GFHMPVMVAHFTOQ-HIFRSBDPSA-N 2 0 296.374 1.550 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000972731533 613288744 /nfs/dbraw/zinc/28/87/44/613288744.db2.gz GGVLEFOVNKLPIO-GJZGRUSLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000981168743 613495565 /nfs/dbraw/zinc/49/55/65/613495565.db2.gz JBMGVPJFWJRUOA-INIZCTEOSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942598002 613534589 /nfs/dbraw/zinc/53/45/89/613534589.db2.gz PTJFVPQNHRKNJS-ZBFHGGJFSA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000969144807 613545933 /nfs/dbraw/zinc/54/59/33/613545933.db2.gz UKIQVEDUSYKXQL-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972485522 613632711 /nfs/dbraw/zinc/63/27/11/613632711.db2.gz LKOJEVYFXKVNSN-JKSUJKDBSA-N 2 0 293.455 1.968 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000971673708 613633937 /nfs/dbraw/zinc/63/39/37/613633937.db2.gz JRRWCBBSKHAWRR-HOTGVXAUSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000972744245 613639467 /nfs/dbraw/zinc/63/94/67/613639467.db2.gz ZKZBXINYKTUWIT-ZDUSSCGKSA-N 2 0 288.395 1.480 20 30 CDEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000970316646 613662233 /nfs/dbraw/zinc/66/22/33/613662233.db2.gz DTSQAQUYLGTISE-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC000961142845 613842501 /nfs/dbraw/zinc/84/25/01/613842501.db2.gz GCDCIICMFSMGBJ-FICVDOATSA-N 2 0 282.347 1.180 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000968916127 613865356 /nfs/dbraw/zinc/86/53/56/613865356.db2.gz XDJSILYEQRSKKK-GDBMZVCRSA-N 2 0 291.439 1.770 20 30 CDEDRP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000981312835 613871701 /nfs/dbraw/zinc/87/17/01/613871701.db2.gz YITVNFKMEBGEAA-LSDHHAIUSA-N 2 0 279.428 1.531 20 30 CDEDRP C[C@H]1CCCC[N@@H+]1CCCCNC1=[NH+]CCN1C ZINC000848989186 617601334 /nfs/dbraw/zinc/60/13/34/617601334.db2.gz DLILGBLBTVJGHN-ZDUSSCGKSA-N 2 0 252.406 1.532 20 30 CDEDRP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000157392134 617983539 /nfs/dbraw/zinc/98/35/39/617983539.db2.gz MDUISUHSMUJIHA-CQSZACIVSA-N 2 0 282.432 1.001 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C ZINC000911724339 629440906 /nfs/dbraw/zinc/44/09/06/629440906.db2.gz KUBAQMORNYCLCM-KBPBESRZSA-N 2 0 269.433 1.885 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000911769818 629486075 /nfs/dbraw/zinc/48/60/75/629486075.db2.gz YDSVNODWJSKWRF-KBPBESRZSA-N 2 0 261.369 1.486 20 30 CDEDRP C=CCNC(NC[C@H]1CCC[N@H+]1C)=[NH+]C(C)(C)C ZINC000912497335 630058121 /nfs/dbraw/zinc/05/81/21/630058121.db2.gz RFKFHMKYUVYALB-GFCCVEGCSA-N 2 0 252.406 1.600 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001671337667 1158629148 /nfs/dbraw/zinc/62/91/48/1158629148.db2.gz PRCWPNGCPYWBOC-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430736 1162473494 /nfs/dbraw/zinc/47/34/94/1162473494.db2.gz WUTNSTRZQWZYNG-OAHLLOKOSA-N 2 0 277.412 1.123 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430254 1162473971 /nfs/dbraw/zinc/47/39/71/1162473971.db2.gz QJEVDEOCVISBGV-HNNXBMFYSA-N 2 0 277.412 1.123 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947040 1162510842 /nfs/dbraw/zinc/51/08/42/1162510842.db2.gz HCKQJRBSORGNJI-NSHDSACASA-N 2 0 261.797 1.031 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130203144 1162569859 /nfs/dbraw/zinc/56/98/59/1162569859.db2.gz GMKOCKAHKTUTQM-QWHCGFSZSA-N 2 0 255.406 1.387 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001167232400 1158546222 /nfs/dbraw/zinc/54/62/22/1158546222.db2.gz BGTJIOUIPANKHR-HNNXBMFYSA-N 2 0 291.439 1.228 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001481439289 1159699552 /nfs/dbraw/zinc/69/95/52/1159699552.db2.gz UGDJJUNCQYMWIE-HUUCEWRRSA-N 2 0 279.428 1.178 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001133230781 1163609899 /nfs/dbraw/zinc/60/98/99/1163609899.db2.gz YKDWGVHPDHRHNO-JKSUJKDBSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133690052 1163851719 /nfs/dbraw/zinc/85/17/19/1163851719.db2.gz HFXDAZXBGQKDKW-AWEZNQCLSA-N 2 0 269.433 1.779 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133851235 1163924809 /nfs/dbraw/zinc/92/48/09/1163924809.db2.gz ZQOZQWGLPBXPSA-CYBMUJFWSA-N 2 0 253.390 1.000 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773106 1164104594 /nfs/dbraw/zinc/10/45/94/1164104594.db2.gz LDLYVFZHXWGFHO-KGLIPLIRSA-N 2 0 281.444 1.613 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001571658710 1170513138 /nfs/dbraw/zinc/51/31/38/1170513138.db2.gz IKRRLMYKAYZUAA-RUXDESIVSA-N 2 0 267.417 1.338 20 30 CDEDRP C#CCOc1cccc(Cl)c1C[NH2+]CCOCC[NH2+]C ZINC001574735213 1170999896 /nfs/dbraw/zinc/99/98/96/1170999896.db2.gz CHVISDSPDLYMHF-UHFFFAOYSA-N 2 0 296.798 1.678 20 30 CDEDRP CC#CC[NH2+][C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001700714628 1177087841 /nfs/dbraw/zinc/08/78/41/1177087841.db2.gz LQTAOPSSKFXIFS-HZPDHXFCSA-N 2 0 295.471 1.716 20 30 CDEDRP C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001753044158 1182202610 /nfs/dbraw/zinc/20/26/10/1182202610.db2.gz XFOAQCFSPIMXMS-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP CC#CC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001752789035 1184914148 /nfs/dbraw/zinc/91/41/48/1184914148.db2.gz WFEYCQRWWNIBLU-HNNXBMFYSA-N 2 0 279.428 1.180 20 30 CDEDRP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001752997719 1184987998 /nfs/dbraw/zinc/98/79/98/1184987998.db2.gz SMYOEWXOLJNINR-OAHLLOKOSA-N 2 0 279.428 1.274 20 30 CDEDRP C=CCC[NH2+][C@H](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001753014645 1184995524 /nfs/dbraw/zinc/99/55/24/1184995524.db2.gz RRPLCKOURLBSHA-CQSZACIVSA-N 2 0 281.444 1.779 20 30 CDEDRP CC#CC[NH2+][C@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001753277470 1185139909 /nfs/dbraw/zinc/13/99/09/1185139909.db2.gz HUMJRJVOMPXBON-CQSZACIVSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[N@@H+](C)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001753365616 1185170047 /nfs/dbraw/zinc/17/00/47/1185170047.db2.gz GYEUDZAYJUHKFJ-UHFFFAOYSA-N 2 0 281.444 1.685 20 30 CDEDRP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001753695459 1185304972 /nfs/dbraw/zinc/30/49/72/1185304972.db2.gz QKSYJOQELVUMIK-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001753850430 1185358796 /nfs/dbraw/zinc/35/87/96/1185358796.db2.gz XAZPDSXEZNMGOR-AWEZNQCLSA-N 2 0 267.417 1.437 20 30 CDEDRP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001754337350 1185586152 /nfs/dbraw/zinc/58/61/52/1185586152.db2.gz UPBBLEVRFGEVLJ-LSDHHAIUSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CCCC[N@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001754678877 1185701589 /nfs/dbraw/zinc/70/15/89/1185701589.db2.gz LCHVJSCCHMNPLN-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001755195187 1185848876 /nfs/dbraw/zinc/84/88/76/1185848876.db2.gz KUTHZEHQBAHCMJ-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CCC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001755311452 1185910768 /nfs/dbraw/zinc/91/07/68/1185910768.db2.gz OPYDEKJJVMDECK-CQSZACIVSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001755368117 1185929720 /nfs/dbraw/zinc/92/97/20/1185929720.db2.gz NGYDQFOJRZWTOZ-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH2+][C@@H](C)CN(C)C(=O)CCCC[NH+](C)C ZINC001755615313 1186013101 /nfs/dbraw/zinc/01/31/01/1186013101.db2.gz WRWQAZCSURTCLY-AWEZNQCLSA-N 2 0 267.417 1.178 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001018179304 790490663 /nfs/dbraw/zinc/49/06/63/790490663.db2.gz FCRBTBKTTZKQGD-OAGGEKHMSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033199845 790503027 /nfs/dbraw/zinc/50/30/27/790503027.db2.gz ZMUIQWYINDCTQP-UONOGXRCSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001023554822 790624595 /nfs/dbraw/zinc/62/45/95/790624595.db2.gz QKWZZGKWSADQSY-JYJNAYRXSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH+]1CCC(N(C)C(=O)Cc2[nH]cnc2C)CC1 ZINC001006340347 790856214 /nfs/dbraw/zinc/85/62/14/790856214.db2.gz PFTXKUSODAUGPL-UHFFFAOYSA-N 2 0 290.411 1.760 20 30 CDEDRP C#CCN1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033079019 790890372 /nfs/dbraw/zinc/89/03/72/790890372.db2.gz ZBUNHDIICSRECC-HNNXBMFYSA-N 2 0 291.439 1.417 20 30 CDEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001016539024 790899801 /nfs/dbraw/zinc/89/98/01/790899801.db2.gz BWDGPAZBYKLTCD-CABCVRRESA-N 2 0 289.423 1.075 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033160732 790950892 /nfs/dbraw/zinc/95/08/92/790950892.db2.gz HZNCMYDBROJYAT-HOTGVXAUSA-N 2 0 289.423 1.027 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001002790931 791120407 /nfs/dbraw/zinc/12/04/07/791120407.db2.gz CJUGXYFQUSMCII-INIZCTEOSA-N 2 0 291.439 1.463 20 30 CDEDRP N#Cc1ccc(N2CC[NH+](CC3CC[NH2+]CC3)CC2)cn1 ZINC000872146288 789856163 /nfs/dbraw/zinc/85/61/63/789856163.db2.gz KAXIVCULFZUOPX-UHFFFAOYSA-N 2 0 285.395 1.075 20 30 CDEDRP C=CC[C@H](C)[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000883432955 789903015 /nfs/dbraw/zinc/90/30/15/789903015.db2.gz FFCILRWZBBSQOP-AEGPPILISA-N 2 0 292.427 1.171 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000303773927 789920303 /nfs/dbraw/zinc/92/03/03/789920303.db2.gz FPHPJOMSFDQUJG-LSDHHAIUSA-N 2 0 298.475 1.826 20 30 CDEDRP C=CC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001040938468 789922664 /nfs/dbraw/zinc/92/26/64/789922664.db2.gz FDSKTAQHPFCXQK-UHFFFAOYSA-N 2 0 291.439 1.583 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001034734798 789941986 /nfs/dbraw/zinc/94/19/86/789941986.db2.gz ZERQTBMXLDNXLN-JYJNAYRXSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[NH+](C)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000985645650 789979019 /nfs/dbraw/zinc/97/90/19/789979019.db2.gz AUOJGKRMLUTAES-AWEZNQCLSA-N 2 0 279.428 1.580 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001019632409 789989688 /nfs/dbraw/zinc/98/96/88/789989688.db2.gz LKQJEKJGVIRPQW-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2 ZINC001035229503 790056982 /nfs/dbraw/zinc/05/69/82/790056982.db2.gz OLTXZVJSAWYNOX-HNNXBMFYSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027680156 790068412 /nfs/dbraw/zinc/06/84/12/790068412.db2.gz BBNDVXQGXKRZPH-KGLIPLIRSA-N 2 0 299.846 1.613 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001052499110 790103060 /nfs/dbraw/zinc/10/30/60/790103060.db2.gz NYKJIRFADIPPRP-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(SC)CCC1 ZINC000193299495 790132968 /nfs/dbraw/zinc/13/29/68/790132968.db2.gz YFHKGHJWADMVKH-GFCCVEGCSA-N 2 0 284.473 1.661 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NCC(C)(C)C[NH+](C)C ZINC000103338376 791269605 /nfs/dbraw/zinc/26/96/05/791269605.db2.gz HFYVYFARKPULFS-UHFFFAOYSA-N 2 0 266.389 1.532 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073125651 791300728 /nfs/dbraw/zinc/30/07/28/791300728.db2.gz CZZBPVISSHCJMM-HNNXBMFYSA-N 2 0 291.439 1.439 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CC ZINC001037917867 791322120 /nfs/dbraw/zinc/32/21/20/791322120.db2.gz DGIXVJRBSZHQFZ-ZBFHGGJFSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001041354137 791404282 /nfs/dbraw/zinc/40/42/82/791404282.db2.gz MTSNCDLHYGXHSJ-KRWDZBQOSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024442793 791725711 /nfs/dbraw/zinc/72/57/11/791725711.db2.gz YEJDBCOGYOGDKO-JKSUJKDBSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001041142198 791815321 /nfs/dbraw/zinc/81/53/21/791815321.db2.gz VAAQWFZLIIZWIT-NVXWUHKLSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033320940 791886392 /nfs/dbraw/zinc/88/63/92/791886392.db2.gz XUAVZYVXHCHGIR-OAHLLOKOSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001027970381 792008583 /nfs/dbraw/zinc/00/85/83/792008583.db2.gz AXZQVAXVSWNDFB-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001031932200 792029114 /nfs/dbraw/zinc/02/91/14/792029114.db2.gz XIXRZROKUYOFIF-UHFFFAOYSA-N 2 0 291.395 1.579 20 30 CDEDRP C#CCN1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001038904052 792057745 /nfs/dbraw/zinc/05/77/45/792057745.db2.gz UFEGQGUXYUHBCT-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001022807093 792330355 /nfs/dbraw/zinc/33/03/55/792330355.db2.gz DPBKZZBITOROKB-KFWWJZLASA-N 2 0 277.412 1.121 20 30 CDEDRP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052378456 792805768 /nfs/dbraw/zinc/80/57/68/792805768.db2.gz VTYXOBXNJAWAJC-HOTGVXAUSA-N 2 0 291.439 1.463 20 30 CDEDRP CC[NH+]1CCC(CCNC(=[NH2+])NCC(C)C)CC1 ZINC000304752180 792812726 /nfs/dbraw/zinc/81/27/26/792812726.db2.gz JYSIBVZCQOJRMM-UHFFFAOYSA-N 2 0 254.422 1.669 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001022089692 792832639 /nfs/dbraw/zinc/83/26/39/792832639.db2.gz LRVKNWUJXNGTIZ-ZNMIVQPWSA-N 2 0 277.412 1.141 20 30 CDEDRP C=CCCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000849019725 792982349 /nfs/dbraw/zinc/98/23/49/792982349.db2.gz FSRCSRXTDWWWNS-ZDUSSCGKSA-N 2 0 252.406 1.941 20 30 CDEDRP C[C@@H]1C[N@@H+](CCCNC(=[NH2+])N2CCCCC2)C[C@H](C)O1 ZINC000303782823 793004302 /nfs/dbraw/zinc/00/43/02/793004302.db2.gz NQWVHVSIEPZATP-OKILXGFUSA-N 2 0 282.432 1.286 20 30 CDEDRP C=CC[NH+]1CC[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001042095891 793073011 /nfs/dbraw/zinc/07/30/11/793073011.db2.gz RKEMVHYQWUGUJT-GOEBONIOSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001052713259 793140639 /nfs/dbraw/zinc/14/06/39/793140639.db2.gz UMDOLSYDPCFXDW-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033474419 793295675 /nfs/dbraw/zinc/29/56/75/793295675.db2.gz HEOOWLIXWIXQQP-INIZCTEOSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001049891721 793324626 /nfs/dbraw/zinc/32/46/26/793324626.db2.gz WZZIOACNCJXTRE-RBSFLKMASA-N 2 0 277.412 1.189 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001022838594 793373416 /nfs/dbraw/zinc/37/34/16/793373416.db2.gz SGACFSYVIVQBAG-QXSJWSMHSA-N 2 0 291.439 1.816 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC001074832557 793806494 /nfs/dbraw/zinc/80/64/94/793806494.db2.gz XYLRXQDKBRLURB-AJNGGQMLSA-N 2 0 279.428 1.482 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC(C)C ZINC000303877760 793850322 /nfs/dbraw/zinc/85/03/22/793850322.db2.gz FPFDTRWNBVAGBM-ZDUSSCGKSA-N 2 0 254.422 1.811 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001036896181 793853570 /nfs/dbraw/zinc/85/35/70/793853570.db2.gz KYIVVWCZWYDJMX-HZPDHXFCSA-N 2 0 289.423 1.028 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010381535 793967173 /nfs/dbraw/zinc/96/71/73/793967173.db2.gz BDDTXYQUACXWPY-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CCOc1ccc([C@H](C)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000817943713 793976468 /nfs/dbraw/zinc/97/64/68/793976468.db2.gz RBGGYZYKXUVPSH-HNNXBMFYSA-N 2 0 287.407 1.254 20 30 CDEDRP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001027893338 794018679 /nfs/dbraw/zinc/01/86/79/794018679.db2.gz SUIUEEJERMTQCI-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Br)CN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000306305579 794036005 /nfs/dbraw/zinc/03/60/05/794036005.db2.gz DRVZJCTWAAGFDC-MNOVXSKESA-N 2 0 259.191 1.779 20 30 CDEDRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000252692168 794324633 /nfs/dbraw/zinc/32/46/33/794324633.db2.gz RFTJSALRZUGQHL-LSDHHAIUSA-N 2 0 296.459 1.438 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033079914 794576536 /nfs/dbraw/zinc/57/65/36/794576536.db2.gz ADQIMHBYDBUIAS-HZPDHXFCSA-N 2 0 291.439 1.437 20 30 CDEDRP C[C@@H]1C[C@H](C[NH+]2CCN(c3ccc(C#N)nc3)CC2)CC[NH2+]1 ZINC000873228028 794763974 /nfs/dbraw/zinc/76/39/74/794763974.db2.gz QFKCQZQFCMZARP-HUUCEWRRSA-N 2 0 299.422 1.463 20 30 CDEDRP C#CCNC(=O)[C@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000880516937 794820107 /nfs/dbraw/zinc/82/01/07/794820107.db2.gz FHBYDFPEDZPYRW-HNNXBMFYSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072081584 794906643 /nfs/dbraw/zinc/90/66/43/794906643.db2.gz OBIIBUDYPFUORN-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001052716880 794930973 /nfs/dbraw/zinc/93/09/73/794930973.db2.gz QFPGZZISAJGKBT-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(Cl)C[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000839616269 795010848 /nfs/dbraw/zinc/01/08/48/795010848.db2.gz RVMDRXDMSLNBPS-UHFFFAOYSA-N 2 0 259.825 1.745 20 30 CDEDRP C=CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC000992187771 795016816 /nfs/dbraw/zinc/01/68/16/795016816.db2.gz JWOZUWGAKPDJSI-ZMSDIMECSA-N 2 0 291.439 1.770 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015998199 795083274 /nfs/dbraw/zinc/08/32/74/795083274.db2.gz MQZVBBYJBYSHRG-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP CC(C)CCNC(=[NH2+])NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000104168218 795111220 /nfs/dbraw/zinc/11/12/20/795111220.db2.gz OQVBCWAZUQTEEK-CYBMUJFWSA-N 2 0 254.422 1.669 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001034684321 795200254 /nfs/dbraw/zinc/20/02/54/795200254.db2.gz WGTTVUYKSYGJSO-SHTZXODSSA-N 2 0 291.439 1.818 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001033210386 795318822 /nfs/dbraw/zinc/31/88/22/795318822.db2.gz GDLDQKXSKPYHGS-KGLIPLIRSA-N 2 0 288.395 1.164 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001015709693 795332222 /nfs/dbraw/zinc/33/22/22/795332222.db2.gz BUYGNWYYDCJIKS-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050727160 795365300 /nfs/dbraw/zinc/36/53/00/795365300.db2.gz HLGKFKOWOIIYQQ-HNNXBMFYSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000997057623 795381945 /nfs/dbraw/zinc/38/19/45/795381945.db2.gz LPAKWXGAYASYLD-UHFFFAOYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027885564 795486598 /nfs/dbraw/zinc/48/65/98/795486598.db2.gz GKGWANWBDKWJMQ-HZPDHXFCSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001075038941 795584683 /nfs/dbraw/zinc/58/46/83/795584683.db2.gz JXLKBOYUEASHEU-MJBXVCDLSA-N 2 0 265.401 1.093 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031766206 795787971 /nfs/dbraw/zinc/78/79/71/795787971.db2.gz CMWDKCXUHOPLDQ-CVEARBPZSA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000989518977 795814848 /nfs/dbraw/zinc/81/48/48/795814848.db2.gz JKNZYCQKHRUUMJ-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP CC[NH+]=C(NCC1CCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261733905 795860132 /nfs/dbraw/zinc/86/01/32/795860132.db2.gz JUAKUDHUBCAJNL-IUODEOHRSA-N 2 0 278.444 1.824 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034398143 795873523 /nfs/dbraw/zinc/87/35/23/795873523.db2.gz MWDLPDFYEZKYJR-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001032802517 795882484 /nfs/dbraw/zinc/88/24/84/795882484.db2.gz BYJZTKRLFJIPGF-HRCADAONSA-N 2 0 291.439 1.722 20 30 CDEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000999700471 796059316 /nfs/dbraw/zinc/05/93/16/796059316.db2.gz VZMBSSCGJYLWMG-UHFFFAOYSA-N 2 0 277.412 1.237 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001022077340 796098221 /nfs/dbraw/zinc/09/82/21/796098221.db2.gz OVYCUIGIEFIDMC-OKILXGFUSA-N 2 0 279.428 1.674 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001000690005 796324056 /nfs/dbraw/zinc/32/40/56/796324056.db2.gz QUMZUSLGGCLLGU-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926545724 796375286 /nfs/dbraw/zinc/37/52/86/796375286.db2.gz MGQKMJASTUGAIT-HNSVSWJLSA-N 2 0 282.428 1.545 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001155288850 1167115179 /nfs/dbraw/zinc/11/51/79/1167115179.db2.gz BYWXYVHCGGLJMP-KGLIPLIRSA-N 2 0 267.417 1.177 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001088980183 912425752 /nfs/dbraw/zinc/42/57/52/912425752.db2.gz ACRJZZWFFYGVCK-ILXRZTDVSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001266439195 894897524 /nfs/dbraw/zinc/89/75/24/894897524.db2.gz JNAJIVUVUGWYEZ-LSDHHAIUSA-N 2 0 281.444 1.633 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001104679619 898877812 /nfs/dbraw/zinc/87/78/12/898877812.db2.gz LOXGNIORKGSIRC-ARFHVFGLSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105010644 899786847 /nfs/dbraw/zinc/78/68/47/899786847.db2.gz UOUQPNDBMAYHEJ-BZUAXINKSA-N 2 0 293.455 1.588 20 30 CDEDRP Cc1cc(NC(=[NH2+])NCCCC[NH3+])ccc1CC#N ZINC001167880963 901632893 /nfs/dbraw/zinc/63/28/93/901632893.db2.gz BKAHXXDDMSMWPK-UHFFFAOYSA-N 2 0 259.357 1.736 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481703566 901844819 /nfs/dbraw/zinc/84/48/19/901844819.db2.gz WANQDEYFARUDSX-KGLIPLIRSA-N 2 0 267.417 1.339 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)Cn1ccnc1C ZINC001422169838 902718553 /nfs/dbraw/zinc/71/85/53/902718553.db2.gz QPMNKUXCJQDJDP-NSHDSACASA-N 2 0 284.791 1.428 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001028637588 903116577 /nfs/dbraw/zinc/11/65/77/903116577.db2.gz YKQZCCVGMFMVRA-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001269166318 903500162 /nfs/dbraw/zinc/50/01/62/903500162.db2.gz VAUVDWYNYHVCDP-CQSZACIVSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1CC ZINC001087658569 905743072 /nfs/dbraw/zinc/74/30/72/905743072.db2.gz LHQDSNBTUXNBOM-JKSUJKDBSA-N 2 0 296.374 1.550 20 30 CDEDRP C=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H](C)C1 ZINC001093225362 909702559 /nfs/dbraw/zinc/70/25/59/909702559.db2.gz KPLYZSAWQKIEMH-OAGGEKHMSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171540262 910800324 /nfs/dbraw/zinc/80/03/24/910800324.db2.gz XUGHZIVKSZKXLS-HZPDHXFCSA-N 2 0 293.455 1.759 20 30 CDEDRP C#CCC[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483490901 911182693 /nfs/dbraw/zinc/18/26/93/911182693.db2.gz SDRDTAVPUSVRSN-CQSZACIVSA-N 2 0 267.417 1.034 20 30 CDEDRP C=CCN(CC[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1)C(=O)OCC ZINC001236313975 914950782 /nfs/dbraw/zinc/95/07/82/914950782.db2.gz COMLTKZXIOVSNL-GASCZTMLSA-N 2 0 295.427 1.562 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001178501748 915445170 /nfs/dbraw/zinc/44/51/70/915445170.db2.gz AZEXTGPFKHWSRW-MRXNPFEDSA-N 2 0 291.439 1.228 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001180204670 916194772 /nfs/dbraw/zinc/19/47/72/916194772.db2.gz YRZDCLYXQJQUHX-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C[NH+](C)CCCN1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254670919 936441407 /nfs/dbraw/zinc/44/14/07/936441407.db2.gz NGOJFUPDPHYVEG-LSDHHAIUSA-N 2 0 264.417 1.248 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)NCC(C)(C)C[NH+](C)C ZINC001183086185 918278892 /nfs/dbraw/zinc/27/88/92/918278892.db2.gz RUOFYWXPJHMPKA-UHFFFAOYSA-N 2 0 267.417 1.342 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)NCC[C@@H]1CCC[N@H+]1C ZINC001183086020 918279638 /nfs/dbraw/zinc/27/96/38/918279638.db2.gz NWRFYJNJRRVTIJ-AWEZNQCLSA-N 2 0 265.401 1.239 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000997220252 919092691 /nfs/dbraw/zinc/09/26/91/919092691.db2.gz YAOMAGXEQQUIDG-KRWDZBQOSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001203459503 919301113 /nfs/dbraw/zinc/30/11/13/919301113.db2.gz GMTMGNKCBWQODJ-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185650901 919690676 /nfs/dbraw/zinc/69/06/76/919690676.db2.gz QGCSZMMGBCYQTO-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001186420970 920026968 /nfs/dbraw/zinc/02/69/68/920026968.db2.gz TUISLUFXVGKKNW-MRXNPFEDSA-N 2 0 293.455 1.712 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001188139833 920855556 /nfs/dbraw/zinc/85/55/56/920855556.db2.gz ROZMIYBFNRSJNX-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(C#N)nc1)CC2 ZINC001140545820 936723234 /nfs/dbraw/zinc/72/32/34/936723234.db2.gz MEWJXBCIRHVYIM-UHFFFAOYSA-N 2 0 256.353 1.481 20 30 CDEDRP C[NH+](C)CC1CC[NH+](Cc2ccc(C#N)nc2)CC1 ZINC001140543153 936722850 /nfs/dbraw/zinc/72/28/50/936722850.db2.gz LBJFWJZIPYHJSM-UHFFFAOYSA-N 2 0 258.369 1.727 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033229686 922081663 /nfs/dbraw/zinc/08/16/63/922081663.db2.gz VKCWPEBEAUUBJB-AWEZNQCLSA-N 2 0 277.412 1.334 20 30 CDEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190666245 922108886 /nfs/dbraw/zinc/10/88/86/922108886.db2.gz KWQZUEKLHVWBRU-JKSUJKDBSA-N 2 0 293.455 1.826 20 30 CDEDRP Cc1cnc(NC2(C#N)CC[NH+](C)CC2)c(C[NH3+])c1 ZINC001162231897 922117214 /nfs/dbraw/zinc/11/72/14/922117214.db2.gz SMWGIOLQWDHVIC-UHFFFAOYSA-N 2 0 259.357 1.249 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190654648 922125345 /nfs/dbraw/zinc/12/53/45/922125345.db2.gz KRXKPIQSNMZZEP-HZPDHXFCSA-N 2 0 293.455 1.826 20 30 CDEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191162689 922433303 /nfs/dbraw/zinc/43/33/03/922433303.db2.gz PGZDNPXNTGKTRU-HNNXBMFYSA-N 2 0 296.374 1.504 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192141024 922934282 /nfs/dbraw/zinc/93/42/82/922934282.db2.gz AFKVDHBYIGLLSM-INIZCTEOSA-N 2 0 293.455 1.827 20 30 CDEDRP CN(CCC[NH+](C)C)c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001163595211 924015310 /nfs/dbraw/zinc/01/53/10/924015310.db2.gz HJXATYXOFJHYKQ-UHFFFAOYSA-N 2 0 287.411 1.377 20 30 CDEDRP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001080999032 924670853 /nfs/dbraw/zinc/67/08/53/924670853.db2.gz ZDTDZNBZVNBQNJ-BZUAXINKSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001100887501 936942876 /nfs/dbraw/zinc/94/28/76/936942876.db2.gz FTLRYZDFBPGPKT-UHFFFAOYSA-N 2 0 281.444 1.779 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001082741808 924990552 /nfs/dbraw/zinc/99/05/52/924990552.db2.gz DFTYQSMASKKTJK-YRGRVCCFSA-N 2 0 299.846 1.517 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001082782711 924998582 /nfs/dbraw/zinc/99/85/82/924998582.db2.gz MGZFAPMFDMESTN-OAGGEKHMSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196943266 925018078 /nfs/dbraw/zinc/01/80/78/925018078.db2.gz MFXWJOTYNUFFAT-UHFFFAOYSA-N 2 0 265.401 1.049 20 30 CDEDRP C=CCCC[N@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001197022772 925038801 /nfs/dbraw/zinc/03/88/01/925038801.db2.gz WLDOYTOCUUHLGV-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001085333225 925889731 /nfs/dbraw/zinc/88/97/31/925889731.db2.gz GQMLRISPUPHSCR-HUUCEWRRSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001085332438 925890230 /nfs/dbraw/zinc/89/02/30/925890230.db2.gz YNEPZPSVQHORGF-ARFHVFGLSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001085518797 926106804 /nfs/dbraw/zinc/10/68/04/926106804.db2.gz ZKEXYUKEGIWQJG-LSDHHAIUSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102377669 937055351 /nfs/dbraw/zinc/05/53/51/937055351.db2.gz BEVLQRPOWPSAIP-OAGGEKHMSA-N 2 0 295.471 1.977 20 30 CDEDRP C[NH+]1CCN(c2cc(Nc3cnc(C#N)nc3)cc[nH+]2)CC1 ZINC001201653944 926378110 /nfs/dbraw/zinc/37/81/10/926378110.db2.gz GUWKAOIHIBHYNM-UHFFFAOYSA-N 2 0 295.350 1.239 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001086132201 926735106 /nfs/dbraw/zinc/73/51/06/926735106.db2.gz GUPODKLIQKYSKZ-OKILXGFUSA-N 2 0 296.374 1.374 20 30 CDEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103999939 937184126 /nfs/dbraw/zinc/18/41/26/937184126.db2.gz PRTUPNUUCQLMQA-OAGGEKHMSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606608 937240306 /nfs/dbraw/zinc/24/03/06/937240306.db2.gz IFJJLZBXSWEPGE-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109651121 928999182 /nfs/dbraw/zinc/99/91/82/928999182.db2.gz JVJPPZGNYPLTDJ-ILXRZTDVSA-N 2 0 291.439 1.626 20 30 CDEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001112425485 937308894 /nfs/dbraw/zinc/30/88/94/937308894.db2.gz OBYXPBKUCUOZEJ-UXLLHSPISA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134757603 929894333 /nfs/dbraw/zinc/89/43/33/929894333.db2.gz QJVAOKKCAHMILS-AWEZNQCLSA-N 2 0 267.417 1.533 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001170785201 930009389 /nfs/dbraw/zinc/00/93/89/930009389.db2.gz QAKODKHJRUOVGY-HNNXBMFYSA-N 2 0 279.428 1.370 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135336827 930162590 /nfs/dbraw/zinc/16/25/90/930162590.db2.gz MAPOLKKTXUPRPE-UHFFFAOYSA-N 2 0 295.814 1.820 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135468509 930217016 /nfs/dbraw/zinc/21/70/16/930217016.db2.gz QEXTWSIFTOTZTD-ZIAGYGMSSA-N 2 0 281.444 1.777 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860654 930479182 /nfs/dbraw/zinc/47/91/82/930479182.db2.gz FXMTZRLPXOZSSD-KBPBESRZSA-N 2 0 269.433 1.777 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135976779 930587318 /nfs/dbraw/zinc/58/73/18/930587318.db2.gz NQADSGCXBHFJFK-OLZOCXBDSA-N 2 0 255.406 1.387 20 30 CDEDRP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCCC#N ZINC001274042539 931140761 /nfs/dbraw/zinc/14/07/61/931140761.db2.gz HODCZXULOLUHLG-HUUCEWRRSA-N 2 0 292.427 1.307 20 30 CDEDRP C=CCCC[NH+]1C[C@@H]2CC[N@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001274962492 931616704 /nfs/dbraw/zinc/61/67/04/931616704.db2.gz NDJRAHUGDHGCMG-IYBDPMFKSA-N 2 0 293.455 1.685 20 30 CDEDRP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCN(CCC[NH3+])CC1 ZINC001171189672 931836795 /nfs/dbraw/zinc/83/67/95/931836795.db2.gz IXERSFDBLHLBQL-OAHLLOKOSA-N 2 0 286.423 1.456 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171217840 931990191 /nfs/dbraw/zinc/99/01/91/931990191.db2.gz OLTUGWSCBLVGJP-LBPRGKRZSA-N 2 0 273.808 1.177 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155084687 937632157 /nfs/dbraw/zinc/63/21/57/937632157.db2.gz FHQPTZCDFWGUSW-HUUCEWRRSA-N 2 0 281.444 1.423 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092012167 932910111 /nfs/dbraw/zinc/91/01/11/932910111.db2.gz RLOFEXHUOBAHKA-INMHGKMJSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CCC[NH2+]C1(CNC(=O)Cn2ccnc2)CCCCC1 ZINC001120248783 937788821 /nfs/dbraw/zinc/78/88/21/937788821.db2.gz UYJDPKACTHMTLG-UHFFFAOYSA-N 2 0 290.411 1.868 20 30 CDEDRP C=C[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001253601177 935328134 /nfs/dbraw/zinc/32/81/34/935328134.db2.gz LSHSVURIWOLSEO-INIZCTEOSA-N 2 0 275.396 1.075 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015051730 935558359 /nfs/dbraw/zinc/55/83/59/935558359.db2.gz DVKZOBDHPGIROU-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001096014953 935880769 /nfs/dbraw/zinc/88/07/69/935880769.db2.gz NYWXVQAIEQROFP-XGUBFFRZSA-N 2 0 277.412 1.236 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158036690 938577854 /nfs/dbraw/zinc/57/78/54/938577854.db2.gz FLAYJQJHYCCDEV-HOTGVXAUSA-N 2 0 293.455 1.923 20 30 CDEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001159628925 938742470 /nfs/dbraw/zinc/74/24/70/938742470.db2.gz RCOLRNABJPBCGI-HNNXBMFYSA-N 2 0 277.412 1.405 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159925513 938760565 /nfs/dbraw/zinc/76/05/65/938760565.db2.gz RSOUDCRUOFSVTA-CQSZACIVSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCCC1 ZINC001160209854 938775303 /nfs/dbraw/zinc/77/53/03/938775303.db2.gz ZFAFHERJQFNWOI-INIZCTEOSA-N 2 0 291.439 1.370 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001161644781 938916937 /nfs/dbraw/zinc/91/69/37/938916937.db2.gz SCWHZIVZUSFKBB-HNNXBMFYSA-N 2 0 281.444 1.779 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)c1occc1C[NH+](C)C ZINC001165246165 939532471 /nfs/dbraw/zinc/53/24/71/939532471.db2.gz MGOHKVBHJIEXRI-UHFFFAOYSA-N 2 0 279.384 1.627 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001165809719 939578421 /nfs/dbraw/zinc/57/84/21/939578421.db2.gz MCGFEYNYOPEOGA-UHFFFAOYSA-N 2 0 293.455 1.616 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)Cn2ccnc2C)CC1 ZINC001203708957 939701162 /nfs/dbraw/zinc/70/11/62/939701162.db2.gz HZUAMRZTIXRNBW-UHFFFAOYSA-N 2 0 290.411 1.738 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203728649 939702084 /nfs/dbraw/zinc/70/20/84/939702084.db2.gz AJPVAJOWXQYSAU-GJZGRUSLSA-N 2 0 291.439 1.675 20 30 CDEDRP C=CCN(CC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1)C(=O)OCC ZINC001205130553 939826228 /nfs/dbraw/zinc/82/62/28/939826228.db2.gz IEFXVINHKHRZBC-QWHCGFSZSA-N 2 0 269.389 1.158 20 30 CDEDRP C#Cc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001205240598 939841080 /nfs/dbraw/zinc/84/10/80/939841080.db2.gz MBQBJFJTXOMBIV-MRXNPFEDSA-N 2 0 258.365 1.344 20 30 CDEDRP C[C@H]1C[N@H+](Cc2ccnc(C#N)c2)CCC[C@H]1C[NH3+] ZINC001206025992 939968913 /nfs/dbraw/zinc/96/89/13/939968913.db2.gz QHQHREGSSOTCSU-JSGCOSHPSA-N 2 0 258.369 1.760 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001208261177 940313292 /nfs/dbraw/zinc/31/32/92/940313292.db2.gz KDKNIAYJKWKQLG-GJZGRUSLSA-N 2 0 297.418 1.270 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001208261758 940313823 /nfs/dbraw/zinc/31/38/23/940313823.db2.gz ROZJQLCWLMOWAD-CABCVRRESA-N 2 0 299.434 1.823 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208491336 940335056 /nfs/dbraw/zinc/33/50/56/940335056.db2.gz GRJFDKJZMOGIJN-OAHLLOKOSA-N 2 0 291.439 1.772 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209456215 940592905 /nfs/dbraw/zinc/59/29/05/940592905.db2.gz YESGDMPHKQSWED-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210789872 940713290 /nfs/dbraw/zinc/71/32/90/940713290.db2.gz SIHWPTJYBHUTIW-AWEZNQCLSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453760 940887278 /nfs/dbraw/zinc/88/72/78/940887278.db2.gz QELBUSAMAPPERT-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP CN(C[C@@H](O)c1ccc(C#N)cc1)C1CC[NH2+]CC1 ZINC000402158807 940889895 /nfs/dbraw/zinc/88/98/95/940889895.db2.gz PCRYSHZRKJHOET-OAHLLOKOSA-N 2 0 259.353 1.275 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215568467 940894172 /nfs/dbraw/zinc/89/41/72/940894172.db2.gz QFWAFUKSNASTRF-HUUCEWRRSA-N 2 0 293.455 1.424 20 30 CDEDRP CC1(C)C[NH2+]CCc2ccc(O[C@@H]3C[NH2+]C[C@H]3C#N)cc21 ZINC001218199658 941043719 /nfs/dbraw/zinc/04/37/19/941043719.db2.gz BKNZQROCCOZPOE-CZUORRHYSA-N 2 0 285.391 1.600 20 30 CDEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@](C)(C#N)CC(C)C ZINC001221293051 941513952 /nfs/dbraw/zinc/51/39/52/941513952.db2.gz YNNLHIVQODQAOR-JSGCOSHPSA-N 2 0 268.405 1.148 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221883840 941553521 /nfs/dbraw/zinc/55/35/21/941553521.db2.gz WTAASDBDUALONT-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP N#Cc1cccc(CCC[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222491465 941601149 /nfs/dbraw/zinc/60/11/49/941601149.db2.gz CILLXDVHUXMKJH-ROUUACIJSA-N 2 0 298.434 1.517 20 30 CDEDRP C=CC[NH2+]CCN1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596502 941618662 /nfs/dbraw/zinc/61/86/62/941618662.db2.gz XQGADVAVUAVXDH-INIZCTEOSA-N 2 0 271.408 1.451 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001223378426 941673865 /nfs/dbraw/zinc/67/38/65/941673865.db2.gz JIDUIYGKCZUSBI-CABCVRRESA-N 2 0 291.439 1.437 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001224560417 941771079 /nfs/dbraw/zinc/77/10/79/941771079.db2.gz SXQPHZCFRLVBRV-OAHLLOKOSA-N 2 0 291.439 1.180 20 30 CDEDRP C[N@@H+]1CCCC[C@@H]1CO[C@H](CC#N)C[N+](C)(C)C ZINC001224703185 941784414 /nfs/dbraw/zinc/78/44/14/941784414.db2.gz QYQMGJWKGINNRK-ZIAGYGMSSA-N 2 0 254.398 1.476 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001227619080 942197793 /nfs/dbraw/zinc/19/77/93/942197793.db2.gz MXAGCCDQRGWTLY-OAHLLOKOSA-N 2 0 299.434 1.823 20 30 CDEDRP C=CCOCC[NH+]1CCC(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001230112876 942584990 /nfs/dbraw/zinc/58/49/90/942584990.db2.gz FHUKONCWDRSBMB-UHFFFAOYSA-N 2 0 297.443 1.111 20 30 CDEDRP C#Cc1cccc(CN2C[C@@H]3C[N@H+](CC)CCO[C@@H]3C2)c1 ZINC001231657830 942963533 /nfs/dbraw/zinc/96/35/33/942963533.db2.gz VHCMIOHQBNIURW-ZWKOTPCHSA-N 2 0 284.403 1.820 20 30 CDEDRP C[N@@H+]1CC[C@@H]2CN(Cc3cc(C#N)ccn3)C[C@@H]2C1 ZINC001232475046 943289079 /nfs/dbraw/zinc/28/90/79/943289079.db2.gz FQNXIIKUPNNVOG-KGLIPLIRSA-N 2 0 256.353 1.337 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001234643073 943924234 /nfs/dbraw/zinc/92/42/34/943924234.db2.gz MALSKJRGIZYARJ-CABCVRRESA-N 2 0 299.434 1.775 20 30 CDEDRP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]CCCC#N)(C1)CCC2 ZINC001277945206 944156408 /nfs/dbraw/zinc/15/64/08/944156408.db2.gz QITRWCRNHCCBKA-CVEARBPZSA-N 2 0 278.444 1.876 20 30 CDEDRP C=CCCCCCCN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236307778 944461520 /nfs/dbraw/zinc/46/15/20/944461520.db2.gz DGPFCQFEZTUUIL-UHFFFAOYSA-N 2 0 298.475 1.239 20 30 CDEDRP COCCC1([NH3+])CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254647498 947570632 /nfs/dbraw/zinc/57/06/32/947570632.db2.gz GVBRQRCECJNOEG-STQMWFEESA-N 2 0 251.374 1.508 20 30 CDEDRP N#Cc1cc(-c2ccncc2C[NH3+])ccc1N1CC[NH2+]CC1 ZINC001245561124 947756445 /nfs/dbraw/zinc/75/64/45/947756445.db2.gz ZUOPPVRBOWWFEX-UHFFFAOYSA-N 2 0 293.374 1.489 20 30 CDEDRP C=CCCCCCC[C@@H](O)CN1CCN2CC[NH2+]C[C@H]2C1 ZINC001246029645 947910111 /nfs/dbraw/zinc/91/01/11/947910111.db2.gz RPCHHXPCKWVNPU-DLBZAZTESA-N 2 0 295.471 1.463 20 30 CDEDRP C[C@H](CCCC#N)[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001246517422 948221577 /nfs/dbraw/zinc/22/15/77/948221577.db2.gz BZKXGHWUVFBWRU-CABCVRRESA-N 2 0 294.443 1.778 20 30 CDEDRP C=CC[N@H+](C1CCCCC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246944011 948534529 /nfs/dbraw/zinc/53/45/29/948534529.db2.gz AENVLPPHQLMAKC-OAHLLOKOSA-N 2 0 263.429 1.901 20 30 CDEDRP C=C[C@](C)(O)C[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001252584189 951478971 /nfs/dbraw/zinc/47/89/71/951478971.db2.gz ZKLPRUIOLZZHFG-KKUMJFAQSA-N 2 0 268.401 1.156 20 30 CDEDRP C=CCC[C@H](O)C[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001252622706 951516125 /nfs/dbraw/zinc/51/61/25/951516125.db2.gz YXIOMYUFNOHLRY-JYJNAYRXSA-N 2 0 282.428 1.547 20 30 CDEDRP C=C[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001253578449 951968866 /nfs/dbraw/zinc/96/88/66/951968866.db2.gz BGKKWUUHHWSIIM-BBWFWOEESA-N 2 0 272.392 1.597 20 30 CDEDRP C=C[C@@H](O)C[NH2+]C1CC[NH+](CC2CCOCC2)CC1 ZINC001253606544 951990693 /nfs/dbraw/zinc/99/06/93/951990693.db2.gz JIKKMECMRZAPAM-OAHLLOKOSA-N 2 0 268.401 1.014 20 30 CDEDRP C=C[C@H](O)C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001253604144 951991245 /nfs/dbraw/zinc/99/12/45/951991245.db2.gz GTOCTUMFTILYOV-INIZCTEOSA-N 2 0 290.407 1.150 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001422999878 956501099 /nfs/dbraw/zinc/50/10/99/956501099.db2.gz FRNDPCIRFPOUBE-CYBMUJFWSA-N 2 0 299.846 1.708 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001422999883 956501133 /nfs/dbraw/zinc/50/11/33/956501133.db2.gz FRNDPCIRFPOUBE-ZDUSSCGKSA-N 2 0 299.846 1.708 20 30 CDEDRP C=C[C@H](COC)NC1CC[NH+](CC(C)(C)O)CC1 ZINC001332998520 958002809 /nfs/dbraw/zinc/00/28/09/958002809.db2.gz FZXFZEKRKQGGQO-GFCCVEGCSA-N 2 0 256.390 1.012 20 30 CDEDRP CN(CCC#N)C[C@H](O)C[NH2+]CCC[NH+]1CCCCCC1 ZINC001335315505 959702235 /nfs/dbraw/zinc/70/22/35/959702235.db2.gz XIRCWSWZZQFPEV-MRXNPFEDSA-N 2 0 296.459 1.048 20 30 CDEDRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001335395503 959770634 /nfs/dbraw/zinc/77/06/34/959770634.db2.gz VGRRRYMUIOBEPO-QWHCGFSZSA-N 2 0 253.390 1.219 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001322680559 960295545 /nfs/dbraw/zinc/29/55/45/960295545.db2.gz KXFQCLHYJNCTAF-JKSUJKDBSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001340719137 963090098 /nfs/dbraw/zinc/09/00/98/963090098.db2.gz KYCQQQABUFLMFN-STQMWFEESA-N 2 0 267.417 1.659 20 30 CDEDRP C#CC[NH2+]CC(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC001341647917 963495073 /nfs/dbraw/zinc/49/50/73/963495073.db2.gz YPBFWNYUJJCDMS-UHFFFAOYSA-N 2 0 287.407 1.367 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC001343393793 963967099 /nfs/dbraw/zinc/96/70/99/963967099.db2.gz HFKZHVZWBANLRO-INIZCTEOSA-N 2 0 289.423 1.918 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001443986825 965698640 /nfs/dbraw/zinc/69/86/40/965698640.db2.gz QYXHCKMYSDMQNB-CYBMUJFWSA-N 2 0 287.835 1.565 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001100345043 968074786 /nfs/dbraw/zinc/07/47/86/968074786.db2.gz NJMLGHBJXCCWDI-SSHXOBKSSA-N 2 0 291.439 1.224 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001100444759 968372541 /nfs/dbraw/zinc/37/25/41/968372541.db2.gz ZGORYXSSQRMSDV-WXRRBKDZSA-N 2 0 287.835 1.564 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCCO1 ZINC001200796522 968923017 /nfs/dbraw/zinc/92/30/17/968923017.db2.gz ZMEURLJAMYSBFH-LSDHHAIUSA-N 2 0 297.443 1.110 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001505410583 974864582 /nfs/dbraw/zinc/86/45/82/974864582.db2.gz DCQUFIOXJXPUBE-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001133253465 1163619592 /nfs/dbraw/zinc/61/95/92/1163619592.db2.gz IAECZVJAZITQBK-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CC[C@]1(C(=O)NCC[N@@H+](C)C2CCCCC2)CCC[NH2+]1 ZINC001574515860 1170990094 /nfs/dbraw/zinc/99/00/94/1170990094.db2.gz AKPZXFRCMXMSOL-QGZVFWFLSA-N 2 0 291.439 1.513 20 30 CDEDRP C[N@H+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)C1CCCCC1 ZINC000594440528 342907151 /nfs/dbraw/zinc/90/71/51/342907151.db2.gz DWHJQVPYRILYBH-HNNXBMFYSA-N 2 0 294.443 1.778 20 30 CDEDRP N#C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000442765388 362088033 /nfs/dbraw/zinc/08/80/33/362088033.db2.gz JKUUMHCNPJDBRB-YCPHGPKFSA-N 2 0 277.412 1.769 20 30 CDEDRP N#C[C@@H]1CCC[C@H](Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC000602020495 344316725 /nfs/dbraw/zinc/31/67/25/344316725.db2.gz KLPXSHDIXFLRMS-KGLIPLIRSA-N 2 0 285.395 1.985 20 30 CDEDRP CC(C)(O)C[NH+]1CCC([NH2+]CC(C)(C)CC#N)CC1 ZINC000602691684 344540500 /nfs/dbraw/zinc/54/05/00/344540500.db2.gz PZMGLNUMUIJGSU-UHFFFAOYSA-N 2 0 267.417 1.751 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ccc(C#N)nn1 ZINC000160310594 345794008 /nfs/dbraw/zinc/79/40/08/345794008.db2.gz VFCOXCGNBAFOOK-UHFFFAOYSA-N 2 0 290.415 1.058 20 30 CDEDRP CCC#C[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000611266434 346728670 /nfs/dbraw/zinc/72/86/70/346728670.db2.gz HAROVBQVQKYGFB-HZPDHXFCSA-N 2 0 263.429 1.500 20 30 CDEDRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000613255107 347542500 /nfs/dbraw/zinc/54/25/00/347542500.db2.gz KHUOADFZWIYWFC-JKSUJKDBSA-N 2 0 278.444 1.686 20 30 CDEDRP CNC(=[NH2+])NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000264109292 362969036 /nfs/dbraw/zinc/96/90/36/362969036.db2.gz QGVZXNFTAPVSFP-CQSZACIVSA-N 2 0 260.385 1.666 20 30 CDEDRP C=CCC[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccco1 ZINC000570953615 357558871 /nfs/dbraw/zinc/55/88/71/357558871.db2.gz WYQWGCQXRVHOJQ-CYBMUJFWSA-N 2 0 277.368 1.308 20 30 CDEDRP Cn1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1C#N ZINC000234315826 358202528 /nfs/dbraw/zinc/20/25/28/358202528.db2.gz CRFILUIYIZPMNL-UHFFFAOYSA-N 2 0 260.385 1.718 20 30 CDEDRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000135677445 359889451 /nfs/dbraw/zinc/88/94/51/359889451.db2.gz ULJFXCSXYITAAY-UHFFFAOYSA-N 2 0 292.452 1.735 20 30 CDEDRP C[NH+](C)C[C@H](O)CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353380415 375330640 /nfs/dbraw/zinc/33/06/40/375330640.db2.gz BSOUSXXBJCMWTE-UKRRQHHQSA-N 2 0 259.353 1.058 20 30 CDEDRP C[C@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)N1CC[NH+](C)CC1 ZINC000353428289 375512566 /nfs/dbraw/zinc/51/25/66/375512566.db2.gz RFQVBOGGKCIAKY-RDTXWAMCSA-N 2 0 298.434 1.771 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH2+]C)C2)CC1 ZINC000417518356 377795824 /nfs/dbraw/zinc/79/58/24/377795824.db2.gz BKVARLFQEJJWIQ-OAHLLOKOSA-N 2 0 294.443 1.420 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000417528952 377877593 /nfs/dbraw/zinc/87/75/93/377877593.db2.gz PLVPMCBDANSNHM-AWEZNQCLSA-N 2 0 282.432 1.309 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)C#N ZINC000347140336 285279730 /nfs/dbraw/zinc/27/97/30/285279730.db2.gz SQJHDONJYDLHFD-KBPBESRZSA-N 2 0 280.416 1.021 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000236660911 390918264 /nfs/dbraw/zinc/91/82/64/390918264.db2.gz IINGRRPZFAMNTC-CQSZACIVSA-N 2 0 277.412 1.143 20 30 CDEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000156450633 390922158 /nfs/dbraw/zinc/92/21/58/390922158.db2.gz FONIIWJDUHWFDN-RDBSUJKOSA-N 2 0 276.384 1.457 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC000345322944 391134299 /nfs/dbraw/zinc/13/42/99/391134299.db2.gz RYRMTLBCTKJQCL-HNNXBMFYSA-N 2 0 281.444 1.873 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000267430365 391194381 /nfs/dbraw/zinc/19/43/81/391194381.db2.gz MKQLENWRUUFBQE-LLVKDONJSA-N 2 0 296.390 1.327 20 30 CDEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000305208534 391196435 /nfs/dbraw/zinc/19/64/35/391196435.db2.gz OWFRVTXLPAGTGY-CABCVRRESA-N 2 0 295.475 1.105 20 30 CDEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000350223754 391605903 /nfs/dbraw/zinc/60/59/03/391605903.db2.gz SRZGALXNJKEAGW-LSDHHAIUSA-N 2 0 297.443 1.110 20 30 CDEDRP CC[NH+](CC)Cc1ccccc1CNC1=[NH+]CCN1C ZINC000262667828 391809164 /nfs/dbraw/zinc/80/91/64/391809164.db2.gz POFLILJFRMMORN-UHFFFAOYSA-N 2 0 274.412 1.919 20 30 CDEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CC[NH2+]CC1)CC2 ZINC000423180154 392958578 /nfs/dbraw/zinc/95/85/78/392958578.db2.gz IGZVDGOGNLRWFB-KRWDZBQOSA-N 2 0 284.407 1.430 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660659458 413344826 /nfs/dbraw/zinc/34/48/26/413344826.db2.gz PPHWVHLXGLEJHY-CABCVRRESA-N 2 0 252.402 1.731 20 30 CDEDRP C=C(C)CN1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000563422867 328064209 /nfs/dbraw/zinc/06/42/09/328064209.db2.gz HHXWQSSKRILGJF-ZFWWWQNUSA-N 2 0 251.418 1.886 20 30 CDEDRP COCCN1CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185801691 329329437 /nfs/dbraw/zinc/32/94/37/329329437.db2.gz AWDWOTDVLYACSH-DZGCQCFKSA-N 2 0 265.401 1.769 20 30 CDEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001098219644 1159145370 /nfs/dbraw/zinc/14/53/70/1159145370.db2.gz NTNCWGQVQNPOAG-JJXSEGSLSA-N 2 0 291.439 1.626 20 30 CDEDRP C=CCN1CC[C@H]([NH+]2CCC(C[NH2+]CC)CC2)C1=O ZINC000420293723 329760232 /nfs/dbraw/zinc/76/02/32/329760232.db2.gz RROJQARYEAYLIG-AWEZNQCLSA-N 2 0 265.401 1.095 20 30 CDEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)NCC(C)(C)SC ZINC000262562939 330021617 /nfs/dbraw/zinc/02/16/17/330021617.db2.gz WZGKWGHPAXFREP-LLVKDONJSA-N 2 0 272.462 1.245 20 30 CDEDRP CN1CC[NH+]=C1NCC1([NH+]2CCSCC2)CCCCC1 ZINC000262663870 330025283 /nfs/dbraw/zinc/02/52/83/330025283.db2.gz NVIDYVZVUDGMQK-UHFFFAOYSA-N 2 0 296.484 1.629 20 30 CDEDRP C=C(C)C[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422981570 330162508 /nfs/dbraw/zinc/16/25/08/330162508.db2.gz SXTICLSPNQGTLI-DZGCQCFKSA-N 2 0 251.418 1.615 20 30 CDEDRP C=CC[C@H](CO)C[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423016675 330165368 /nfs/dbraw/zinc/16/53/68/330165368.db2.gz NDQORVBJAQUCJL-KGLIPLIRSA-N 2 0 298.427 1.082 20 30 CDEDRP C=CCC[C@@H](CO)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423149067 330172929 /nfs/dbraw/zinc/17/29/29/330172929.db2.gz AGTDLDWSOQXFGY-OCCSQVGLSA-N 2 0 263.385 1.826 20 30 CDEDRP C#CCN(C)CCC[NH2+]C[C@H](O)CC1CCCC1 ZINC000327957164 330257682 /nfs/dbraw/zinc/25/76/82/330257682.db2.gz BNLPNSFEUNHWRC-OAHLLOKOSA-N 2 0 252.402 1.472 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000424136140 330272354 /nfs/dbraw/zinc/27/23/54/330272354.db2.gz ABSBAEZMJAMRQW-CABCVRRESA-N 2 0 292.427 1.484 20 30 CDEDRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424157100 330304582 /nfs/dbraw/zinc/30/45/82/330304582.db2.gz PDLKKELHLHESCU-XGUBFFRZSA-N 2 0 294.443 1.490 20 30 CDEDRP C=CCN(CC=C)C(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424286005 330334162 /nfs/dbraw/zinc/33/41/62/330334162.db2.gz GQIZENYZDTUMDZ-OAHLLOKOSA-N 2 0 291.439 1.651 20 30 CDEDRP C=C[C@@H]1OCC[C@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000451605627 331036336 /nfs/dbraw/zinc/03/63/36/331036336.db2.gz DQGNBGJBJGHDRM-CVEARBPZSA-N 2 0 281.444 1.336 20 30 CDEDRP C#CCNC(=O)CC[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000491655633 332267640 /nfs/dbraw/zinc/26/76/40/332267640.db2.gz AHDCKHNWGQUDBR-GASCZTMLSA-N 2 0 279.428 1.084 20 30 CDEDRP C#CCNC(=O)CC[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000491715718 332305906 /nfs/dbraw/zinc/30/59/06/332305906.db2.gz QPWDQVKPCVCYTK-CYBMUJFWSA-N 2 0 267.417 1.082 20 30 CDEDRP CCCN(CC#N)CCCN1CC[NH+](C(C)C)CC1 ZINC000192742619 333238871 /nfs/dbraw/zinc/23/88/71/333238871.db2.gz HSHYXLGDNWQXDX-UHFFFAOYSA-N 2 0 266.433 1.638 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106322377 1161143660 /nfs/dbraw/zinc/14/36/60/1161143660.db2.gz MPTJJDQPGIKXMG-OAGGEKHMSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001733109113 1183293559 /nfs/dbraw/zinc/29/35/59/1183293559.db2.gz VDERTRVMQZABEB-ZDUSSCGKSA-N 2 0 287.835 1.661 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000762220816 576630872 /nfs/dbraw/zinc/63/08/72/576630872.db2.gz BVDWANRWCAKRSZ-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000763928417 576766137 /nfs/dbraw/zinc/76/61/37/576766137.db2.gz CPMTYLRLTIPINE-GFCCVEGCSA-N 2 0 281.425 1.585 20 30 CDEDRP C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCCCC2N=NC(N)=[NH2+])C1 ZINC000751516661 577047080 /nfs/dbraw/zinc/04/70/80/577047080.db2.gz MECTXRQSWONNAE-LOWVWBTDSA-N 2 0 265.405 1.746 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000948069796 613131677 /nfs/dbraw/zinc/13/16/77/613131677.db2.gz KNDAWOVYUHYVNW-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947778405 613224618 /nfs/dbraw/zinc/22/46/18/613224618.db2.gz CJMRBBATAXRJPW-GOEBONIOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000972731535 613284170 /nfs/dbraw/zinc/28/41/70/613284170.db2.gz GGVLEFOVNKLPIO-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948041004 613327525 /nfs/dbraw/zinc/32/75/25/613327525.db2.gz WYMRNUIHRRHJBE-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000959968022 613345182 /nfs/dbraw/zinc/34/51/82/613345182.db2.gz QQPCOBONGYDYHO-AALSBFMBSA-N 2 0 291.439 1.339 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000969947247 613384671 /nfs/dbraw/zinc/38/46/71/613384671.db2.gz CDKTVRHBFSAUTN-CHWSQXEVSA-N 2 0 285.819 1.414 20 30 CDEDRP C=CC[N@@H+]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000981428427 613688542 /nfs/dbraw/zinc/68/85/42/613688542.db2.gz VBDOHYYMOVCSFY-UHFFFAOYSA-N 2 0 291.439 1.583 20 30 CDEDRP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981461540 613860207 /nfs/dbraw/zinc/86/02/07/613860207.db2.gz IJZYQXWYXVYMPT-ZIAGYGMSSA-N 2 0 277.412 1.285 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000970802694 613865025 /nfs/dbraw/zinc/86/50/25/613865025.db2.gz AKFOMSRQEQBBNA-CABCVRRESA-N 2 0 279.428 1.483 20 30 CDEDRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]CC#Cc1ccccc1 ZINC000892950960 617966860 /nfs/dbraw/zinc/96/68/60/617966860.db2.gz IYHPPCPPAPKUPI-SFHVURJKSA-N 2 0 286.419 1.865 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911787781 629512314 /nfs/dbraw/zinc/51/23/14/629512314.db2.gz MEJUGTANAUDBRT-KGLIPLIRSA-N 2 0 269.433 1.885 20 30 CDEDRP C=CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)C(C)C ZINC000917071066 632143121 /nfs/dbraw/zinc/14/31/21/632143121.db2.gz NJLPJITVFBYMJA-UHFFFAOYSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130558697 1162663802 /nfs/dbraw/zinc/66/38/02/1162663802.db2.gz KXFMETKWCWXZSN-UHFFFAOYSA-N 2 0 276.384 1.190 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158037779 1162698674 /nfs/dbraw/zinc/69/86/74/1162698674.db2.gz LCUDSMNOAWXEHY-GJZGRUSLSA-N 2 0 279.428 1.533 20 30 CDEDRP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001753735706 1159897623 /nfs/dbraw/zinc/89/76/23/1159897623.db2.gz BMDWTJIKYJWCME-HZPDHXFCSA-N 2 0 293.455 1.615 20 30 CDEDRP C#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C ZINC001755833406 1160619817 /nfs/dbraw/zinc/61/98/17/1160619817.db2.gz YTNJTXCAJSZDIM-CQSZACIVSA-N 2 0 295.471 1.718 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128779755 1161508891 /nfs/dbraw/zinc/50/88/91/1161508891.db2.gz XPPLBSXPJWCAEV-CABCVRRESA-N 2 0 281.444 1.921 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129327484 1161965420 /nfs/dbraw/zinc/96/54/20/1161965420.db2.gz ICGIMVJZESSPHE-OAHLLOKOSA-N 2 0 281.444 1.636 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086387179 1161975646 /nfs/dbraw/zinc/97/56/46/1161975646.db2.gz UQNIMURBIMZLDW-BZUAXINKSA-N 2 0 293.455 1.635 20 30 CDEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001114426056 1164961767 /nfs/dbraw/zinc/96/17/67/1164961767.db2.gz JEFVRJMRNVJUBB-TTZDDIAXSA-N 2 0 277.412 1.093 20 30 CDEDRP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001579554005 1172210659 /nfs/dbraw/zinc/21/06/59/1172210659.db2.gz JIKBIBFMAGLOHU-HNNXBMFYSA-N 2 0 285.391 1.786 20 30 CDEDRP Cc1ccccc1NC(=[NH2+])NCCC[NH+]1CCC(O)CC1 ZINC000170913378 1181227083 /nfs/dbraw/zinc/22/70/83/1181227083.db2.gz WPPZBJUCGVEPBV-UHFFFAOYSA-N 2 0 290.411 1.568 20 30 CDEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001753189441 1182232663 /nfs/dbraw/zinc/23/26/63/1182232663.db2.gz LRGKZYKXIKQIBM-CYBMUJFWSA-N 2 0 285.819 1.129 20 30 CDEDRP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001753327756 1185158294 /nfs/dbraw/zinc/15/82/94/1185158294.db2.gz HUDRHJIIOUMELE-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001753594204 1185262464 /nfs/dbraw/zinc/26/24/64/1185262464.db2.gz ZPXHAKDFJIDAJH-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCC1 ZINC001753671138 1185294473 /nfs/dbraw/zinc/29/44/73/1185294473.db2.gz RWMZZWDDQJDQKK-UHFFFAOYSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001754138749 1185480838 /nfs/dbraw/zinc/48/08/38/1185480838.db2.gz VZZMEWPQSRHWJJ-YJQVQVLHSA-N 2 0 277.412 1.451 20 30 CDEDRP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001754182149 1185495982 /nfs/dbraw/zinc/49/59/82/1185495982.db2.gz PBRBVTYEAYOAEC-UDLYIEAKSA-N 2 0 291.439 1.841 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC001754599857 1185678208 /nfs/dbraw/zinc/67/82/08/1185678208.db2.gz VSBPWCISHFPNIQ-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001754930543 1185765076 /nfs/dbraw/zinc/76/50/76/1185765076.db2.gz KIJTVAAPOWDHTM-CQSZACIVSA-N 2 0 279.428 1.342 20 30 CDEDRP C#CC[NH2+]C1(CC)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001755073168 1185807778 /nfs/dbraw/zinc/80/77/78/1185807778.db2.gz JDCPHOLDIFCNGN-UHFFFAOYSA-N 2 0 289.423 1.076 20 30 CDEDRP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001755205848 1185853305 /nfs/dbraw/zinc/85/33/05/1185853305.db2.gz ZJRMOLILMIJDLG-CVEARBPZSA-N 2 0 293.455 1.685 20 30 CDEDRP C=CCOCC[NH2+]CCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133690434 1163854132 /nfs/dbraw/zinc/85/41/32/1163854132.db2.gz LKYIICDIUBZAEZ-AWEZNQCLSA-N 2 0 285.432 1.015 20 30 CDEDRP C#C[C@](C)(CC)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000852103101 1164449919 /nfs/dbraw/zinc/44/99/19/1164449919.db2.gz XOTHHSHAVGFHRQ-MRXNPFEDSA-N 2 0 279.428 1.367 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001049173983 796618081 /nfs/dbraw/zinc/61/80/81/796618081.db2.gz JWNNERACTULBNG-GASCZTMLSA-N 2 0 289.423 1.049 20 30 CDEDRP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046322479 796863660 /nfs/dbraw/zinc/86/36/60/796863660.db2.gz BZJSLJKIPYNRJV-GDBMZVCRSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccn3c(C)cnc3c2)C1 ZINC001033079002 797029695 /nfs/dbraw/zinc/02/96/95/797029695.db2.gz SMWQSPOIWJJYON-OAHLLOKOSA-N 2 0 298.390 1.975 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001015002253 797045603 /nfs/dbraw/zinc/04/56/03/797045603.db2.gz ZORYUDYJOHDTDT-KBPBESRZSA-N 2 0 288.395 1.212 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000798280779 797141891 /nfs/dbraw/zinc/14/18/91/797141891.db2.gz AOTWNZSFWBSFHB-UHFFFAOYSA-N 2 0 253.390 1.095 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)Nc1ccc(C[NH+](C)C)cc1OC ZINC000868816115 797303892 /nfs/dbraw/zinc/30/38/92/797303892.db2.gz AVTUUOFUAMBDSS-UHFFFAOYSA-N 2 0 291.395 1.813 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001006445037 797512846 /nfs/dbraw/zinc/51/28/46/797512846.db2.gz YRVLZBNUSFPIMM-GJZGRUSLSA-N 2 0 293.455 1.968 20 30 CDEDRP CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001032665175 797693139 /nfs/dbraw/zinc/69/31/39/797693139.db2.gz JTMBQABIFYDDTR-HOTGVXAUSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cnc[nH]3)CC[C@@H]21 ZINC001036829440 797793626 /nfs/dbraw/zinc/79/36/26/797793626.db2.gz FSJVSJPYLDDZLF-HIFRSBDPSA-N 2 0 288.395 1.451 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001039394257 797806058 /nfs/dbraw/zinc/80/60/58/797806058.db2.gz UBCRLNCNTWHAGB-OWCLPIDISA-N 2 0 293.455 1.968 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001001401174 797835670 /nfs/dbraw/zinc/83/56/70/797835670.db2.gz BXQKBVGJVMBUFM-MRXNPFEDSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001002482663 797851168 /nfs/dbraw/zinc/85/11/68/797851168.db2.gz ZLLZICXXQJBUCD-OAHLLOKOSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCN1C[C@@H]2CCN(C(=O)c3cc4c[nH]ccc-4n3)[C@@H]2C1 ZINC001075948996 797863979 /nfs/dbraw/zinc/86/39/79/797863979.db2.gz UKJSQRWFJFTTMZ-BLLLJJGKSA-N 2 0 294.358 1.342 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000837225949 797880830 /nfs/dbraw/zinc/88/08/30/797880830.db2.gz VXAPPPDMGNUUOL-UHFFFAOYSA-N 2 0 253.390 1.095 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049697953 797898474 /nfs/dbraw/zinc/89/84/74/797898474.db2.gz LZVSJPMWFQOULQ-BZUAXINKSA-N 2 0 293.455 1.824 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049729789 1166960782 /nfs/dbraw/zinc/96/07/82/1166960782.db2.gz XNHSJUVHJNPUOR-JYJNAYRXSA-N 2 0 293.455 1.968 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101353045 1167003925 /nfs/dbraw/zinc/00/39/25/1167003925.db2.gz PZPSFVBOZPBRHF-ZBFHGGJFSA-N 2 0 279.428 1.295 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC001574902538 1167642788 /nfs/dbraw/zinc/64/27/88/1167642788.db2.gz CBQJKROCPMIZAT-HIFRSBDPSA-N 2 0 265.401 1.271 20 30 CDEDRP C#CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC000992193257 912806304 /nfs/dbraw/zinc/80/63/04/912806304.db2.gz VAKMZJQOQUKJHO-BFYDXBDKSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC001121957261 913291579 /nfs/dbraw/zinc/29/15/79/913291579.db2.gz RBYFWGZYWSMPJW-KKUMJFAQSA-N 2 0 279.428 1.613 20 30 CDEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001175048869 913442274 /nfs/dbraw/zinc/44/22/74/913442274.db2.gz LYPSPYKSVKHBPJ-CQSZACIVSA-N 2 0 269.433 1.779 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001122153596 913488166 /nfs/dbraw/zinc/48/81/66/913488166.db2.gz GFHKEBLZFKCQIC-LSDHHAIUSA-N 2 0 295.427 1.040 20 30 CDEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001175785897 913787306 /nfs/dbraw/zinc/78/73/06/913787306.db2.gz GGTMRESLVPNBFT-OAHLLOKOSA-N 2 0 281.444 1.616 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176057237 913941654 /nfs/dbraw/zinc/94/16/54/913941654.db2.gz NUHVDZQQMKVXSQ-ZDUSSCGKSA-N 2 0 253.390 1.000 20 30 CDEDRP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021737987 895722634 /nfs/dbraw/zinc/72/26/34/895722634.db2.gz XYORXXMFJNPYRJ-JKSUJKDBSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001022077035 896065588 /nfs/dbraw/zinc/06/55/88/896065588.db2.gz IGKWMDGWYLJDCN-OKILXGFUSA-N 2 0 277.412 1.121 20 30 CDEDRP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000723703512 896137877 /nfs/dbraw/zinc/13/78/77/896137877.db2.gz PXOCODKQUDWQLZ-UKRRQHHQSA-N 2 0 259.353 1.262 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001022195585 896171935 /nfs/dbraw/zinc/17/19/35/896171935.db2.gz DLSXAOJYIVXWQH-HRCADAONSA-N 2 0 293.455 1.777 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023126486 897387936 /nfs/dbraw/zinc/38/79/36/897387936.db2.gz YHJUPDXIDKBLLK-IYBDPMFKSA-N 2 0 285.391 1.232 20 30 CDEDRP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001024800965 898257475 /nfs/dbraw/zinc/25/74/75/898257475.db2.gz KCUWHJKLYLJXLV-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nccs1 ZINC000170907274 898946668 /nfs/dbraw/zinc/94/66/68/898946668.db2.gz PNKNLQMPFUETOV-JTQLQIEISA-N 2 0 267.402 1.032 20 30 CDEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001026148634 899431470 /nfs/dbraw/zinc/43/14/70/899431470.db2.gz VSCVEDIKTWQANJ-FAHYXWLWSA-N 2 0 277.412 1.092 20 30 CDEDRP C=CCOCC[NH2+]CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001176856584 914350850 /nfs/dbraw/zinc/35/08/50/914350850.db2.gz LMYMFOWFVBVKFW-GASCZTMLSA-N 2 0 297.443 1.158 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001027409788 900481327 /nfs/dbraw/zinc/48/13/27/900481327.db2.gz NUHHOQRSQYAPDP-CVEARBPZSA-N 2 0 291.439 1.415 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027449637 900506382 /nfs/dbraw/zinc/50/63/82/900506382.db2.gz FCCXKNNENRLLNO-JKSUJKDBSA-N 2 0 291.439 1.417 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001028637080 903110634 /nfs/dbraw/zinc/11/06/34/903110634.db2.gz UITBNPDTCHYARC-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP CC[N@@H+]1CC[C@H](CNC(=[NH+]C)N2CC[C@@]3(CCOC3)C2)C1 ZINC000261937536 904349374 /nfs/dbraw/zinc/34/93/74/904349374.db2.gz CUBSZPICICMJBT-GDBMZVCRSA-N 2 0 294.443 1.016 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087839985 905899264 /nfs/dbraw/zinc/89/92/64/905899264.db2.gz BXWIYSLCLSSWMT-ARFHVFGLSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC)C2)CC1 ZINC001016335185 921249110 /nfs/dbraw/zinc/24/91/10/921249110.db2.gz BJGVELHURKECGO-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C[C@@H](CNC(=[NH2+])N1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000303909329 906681039 /nfs/dbraw/zinc/68/10/39/906681039.db2.gz YCRIRHOAMQSAPV-KGLIPLIRSA-N 2 0 266.433 1.907 20 30 CDEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCN3C)CCC[C@H]12 ZINC000990016926 909094776 /nfs/dbraw/zinc/09/47/76/909094776.db2.gz PMFBBERDPSWRLO-HLLBOEOZSA-N 2 0 289.423 1.217 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076175813 909811819 /nfs/dbraw/zinc/81/18/19/909811819.db2.gz WSRAYDQGPLMPKS-YHUYYLMFSA-N 2 0 291.439 1.435 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001171500642 910805648 /nfs/dbraw/zinc/80/56/48/910805648.db2.gz MTYQXUUSXYSRNV-UONOGXRCSA-N 2 0 267.417 1.224 20 30 CDEDRP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001089619148 915001999 /nfs/dbraw/zinc/00/19/99/915001999.db2.gz KYBBQPYCMIZGBB-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001178045712 915122173 /nfs/dbraw/zinc/12/21/73/915122173.db2.gz SITMVHDYSHVZPV-CQSZACIVSA-N 2 0 267.417 1.533 20 30 CDEDRP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001089732167 915571401 /nfs/dbraw/zinc/57/14/01/915571401.db2.gz NUELWUOMNWCXKD-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)c2cccc3nccn32)[C@H]1C ZINC001179141919 915747465 /nfs/dbraw/zinc/74/74/65/915747465.db2.gz UJIABULSWLKJKU-KBPBESRZSA-N 2 0 296.374 1.550 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C ZINC001180369436 916323211 /nfs/dbraw/zinc/32/32/11/916323211.db2.gz FRRGWYVENWJWLD-UHFFFAOYSA-N 2 0 267.417 1.226 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1cccc(OC)c1 ZINC000303711688 935040545 /nfs/dbraw/zinc/04/05/45/935040545.db2.gz PMTVWGVWXAIPTH-ZDUSSCGKSA-N 2 0 276.384 1.906 20 30 CDEDRP C[NH+](C)CCCCCCCNC(=[NH2+])N1CCSCC1 ZINC000303898457 935047288 /nfs/dbraw/zinc/04/72/88/935047288.db2.gz VNOUPYVUCNRAQG-UHFFFAOYSA-N 2 0 286.489 1.862 20 30 CDEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001180899103 916711132 /nfs/dbraw/zinc/71/11/32/916711132.db2.gz IJGSYBZLTRFNML-HLLBOEOZSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001097779600 936373995 /nfs/dbraw/zinc/37/39/95/936373995.db2.gz UDNRJUDMNQUZIW-OAGGEKHMSA-N 2 0 289.423 1.073 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)CC2 ZINC001181553340 917152179 /nfs/dbraw/zinc/15/21/79/917152179.db2.gz VWFZJRQESJEESZ-AWEZNQCLSA-N 2 0 277.412 1.239 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052871049 936403910 /nfs/dbraw/zinc/40/39/10/936403910.db2.gz BXWYRQALZJOKGT-OAHLLOKOSA-N 2 0 289.423 1.076 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001032118153 917786384 /nfs/dbraw/zinc/78/63/84/917786384.db2.gz UJSUWUBSPPOJSR-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001182963869 918222552 /nfs/dbraw/zinc/22/25/52/918222552.db2.gz GSQYTUDKPAWGBP-ZIAGYGMSSA-N 2 0 285.407 1.433 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)NCc1cncn1C1CCC1 ZINC001183091652 918282829 /nfs/dbraw/zinc/28/28/29/918282829.db2.gz LSHAMGYWPUAMCT-UHFFFAOYSA-N 2 0 288.395 1.876 20 30 CDEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107522564 918424123 /nfs/dbraw/zinc/42/41/23/918424123.db2.gz IMOYEXWEHBAHCN-NVXWUHKLSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001183581921 918553557 /nfs/dbraw/zinc/55/35/57/918553557.db2.gz PHBJMGQTWCDYLW-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001183867346 918743257 /nfs/dbraw/zinc/74/32/57/918743257.db2.gz AYEOTISHIOQYTI-HZPDHXFCSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997012871 918805669 /nfs/dbraw/zinc/80/56/69/918805669.db2.gz YLGNMVITDPCWPP-UKRRQHHQSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001000701321 936537839 /nfs/dbraw/zinc/53/78/39/936537839.db2.gz IKRMYRNQFBWJBD-AWEZNQCLSA-N 2 0 277.412 1.239 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001001539617 936552682 /nfs/dbraw/zinc/55/26/82/936552682.db2.gz NWANDKBAISKYAX-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001050144624 936556181 /nfs/dbraw/zinc/55/61/81/936556181.db2.gz LFFWRUMPNCUICE-HRCADAONSA-N 2 0 291.439 1.273 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001050204369 936557271 /nfs/dbraw/zinc/55/72/71/936557271.db2.gz WCQSCRRKGTUEMM-JKSUJKDBSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001184555936 919192197 /nfs/dbraw/zinc/19/21/97/919192197.db2.gz NEGIDNUKCRAOCJ-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000999512832 919763962 /nfs/dbraw/zinc/76/39/62/919763962.db2.gz RHNXMJCOEZJYHY-KBPBESRZSA-N 2 0 299.846 1.804 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187842364 920681072 /nfs/dbraw/zinc/68/10/72/920681072.db2.gz LAKWKFGJKBTHFG-CQSZACIVSA-N 2 0 265.401 1.239 20 30 CDEDRP C#CCN1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001071644554 936688059 /nfs/dbraw/zinc/68/80/59/936688059.db2.gz AINNWGXBKCRTBL-GJZGRUSLSA-N 2 0 289.423 1.217 20 30 CDEDRP C#CC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071872238 936693474 /nfs/dbraw/zinc/69/34/74/936693474.db2.gz MKAXEPADRWZLCH-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203027223 936705700 /nfs/dbraw/zinc/70/57/00/936705700.db2.gz DAICHZOAPFBKLR-KGLIPLIRSA-N 2 0 289.423 1.121 20 30 CDEDRP C#CC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001072825939 936710195 /nfs/dbraw/zinc/71/01/95/936710195.db2.gz GLNMCYVDBRCQPA-OAHLLOKOSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203037097 936711021 /nfs/dbraw/zinc/71/10/21/936711021.db2.gz RLLAPZRIQPPFEL-GJZGRUSLSA-N 2 0 289.423 1.121 20 30 CDEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001005179371 922247662 /nfs/dbraw/zinc/24/76/62/922247662.db2.gz NRTOXYLWCVHMEK-HNNXBMFYSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033661060 922307384 /nfs/dbraw/zinc/30/73/84/922307384.db2.gz KLQBCGZRKQCMBH-UONOGXRCSA-N 2 0 265.401 1.047 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001034014750 922449662 /nfs/dbraw/zinc/44/96/62/922449662.db2.gz CTZKVZQXTIEIGS-HNNXBMFYSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001034736998 922790493 /nfs/dbraw/zinc/79/04/93/922790493.db2.gz GIBYOHWDLPVISV-ZQDZILKHSA-N 2 0 279.428 1.387 20 30 CDEDRP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001192342672 923015522 /nfs/dbraw/zinc/01/55/22/923015522.db2.gz JOLQAHLRNDXYPV-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001195283697 924530864 /nfs/dbraw/zinc/53/08/64/924530864.db2.gz GJXUCXSDESHQAE-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001082612174 924963539 /nfs/dbraw/zinc/96/35/39/924963539.db2.gz ZMORXGHQQSBGJP-OAGGEKHMSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CCC[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196942745 925017664 /nfs/dbraw/zinc/01/76/64/925017664.db2.gz IOSZHMCZRIEFDP-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP CCc1cc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])ccc1C#N ZINC001197292418 925116335 /nfs/dbraw/zinc/11/63/35/925116335.db2.gz OMUDAXTWPAWCGR-UHFFFAOYSA-N 2 0 287.367 1.195 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001084488258 925267237 /nfs/dbraw/zinc/26/72/37/925267237.db2.gz SMVDYANMPOIANQ-GDBMZVCRSA-N 2 0 296.374 1.667 20 30 CDEDRP C=C(Cl)CN(CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001152386096 925315118 /nfs/dbraw/zinc/31/51/18/925315118.db2.gz ACFDEUQEAWNYRK-CHWSQXEVSA-N 2 0 287.835 1.660 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085421942 925942312 /nfs/dbraw/zinc/94/23/12/925942312.db2.gz BKXPSOADLBPYSR-RBSFLKMASA-N 2 0 279.428 1.531 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375552 937055071 /nfs/dbraw/zinc/05/50/71/937055071.db2.gz POTOVCCJBAJFTM-HUUCEWRRSA-N 2 0 295.471 1.834 20 30 CDEDRP C#CCC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001102524875 937063432 /nfs/dbraw/zinc/06/34/32/937063432.db2.gz BJJGEHFZYPULGT-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C[NH+]1CCN(c2cc(-n3ccc(C#N)c3N)cc[nH+]2)CC1 ZINC001201653455 926378084 /nfs/dbraw/zinc/37/80/84/926378084.db2.gz APWMOSCMZZTCJF-UHFFFAOYSA-N 2 0 282.351 1.078 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001161226313 937138800 /nfs/dbraw/zinc/13/88/00/937138800.db2.gz CFBFVUMUDAYGOQ-UHFFFAOYSA-N 2 0 255.406 1.389 20 30 CDEDRP C#CCC[NH+]1CCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000851872369 927648786 /nfs/dbraw/zinc/64/87/86/927648786.db2.gz DECVVTHLTFOSJB-CALCHBBNSA-N 2 0 277.456 1.605 20 30 CDEDRP C=CC[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000852410481 927784986 /nfs/dbraw/zinc/78/49/86/927784986.db2.gz MRCLRDMBNUKTDR-HUUCEWRRSA-N 2 0 252.402 1.731 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000856358936 928586177 /nfs/dbraw/zinc/58/61/77/928586177.db2.gz VPIKWYPMKLMKDM-INIZCTEOSA-N 2 0 287.407 1.495 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129357935 928612490 /nfs/dbraw/zinc/61/24/90/928612490.db2.gz OCYKOEFTDKNLFM-ZDUSSCGKSA-N 2 0 267.417 1.531 20 30 CDEDRP CCCCCCC[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151101861 937269287 /nfs/dbraw/zinc/26/92/87/937269287.db2.gz YRKMBIJWEIRRKL-UHFFFAOYSA-N 2 0 269.433 1.758 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001252493136 928743111 /nfs/dbraw/zinc/74/31/11/928743111.db2.gz MWVHBQXKHQRSRY-MRXNPFEDSA-N 2 0 282.428 1.547 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361450 937281659 /nfs/dbraw/zinc/28/16/59/937281659.db2.gz GYOICIZRORJNIM-UHFFFAOYSA-N 2 0 267.417 1.534 20 30 CDEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@@H+](C)CC)C2 ZINC001112557461 929167919 /nfs/dbraw/zinc/16/79/19/929167919.db2.gz HWCIXHQLLZMHOD-RDJZCZTQSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001114997787 937315360 /nfs/dbraw/zinc/31/53/60/937315360.db2.gz NLZDWTUTXNDGTG-FOLVSLTJSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115123151 937327156 /nfs/dbraw/zinc/32/71/56/937327156.db2.gz KQUZEMUWFUYRIE-FICVDOATSA-N 2 0 289.423 1.095 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001112911816 929558781 /nfs/dbraw/zinc/55/87/81/929558781.db2.gz YDFURISFMAWXGT-OAHLLOKOSA-N 2 0 299.434 1.777 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614617 930298032 /nfs/dbraw/zinc/29/80/32/930298032.db2.gz XJOSGYJNMLKBDU-CABCVRRESA-N 2 0 293.455 1.615 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767837 930399069 /nfs/dbraw/zinc/39/90/69/930399069.db2.gz ISVWWGAVNSETDW-CVEARBPZSA-N 2 0 293.455 1.615 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767840 930399809 /nfs/dbraw/zinc/39/98/09/930399809.db2.gz ISVWWGAVNSETDW-JKSUJKDBSA-N 2 0 293.455 1.615 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C)CC1 ZINC000884214283 930485891 /nfs/dbraw/zinc/48/58/91/930485891.db2.gz XVYNIJGRIQWRMM-AWEZNQCLSA-N 2 0 281.444 1.763 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135974309 930585004 /nfs/dbraw/zinc/58/50/04/930585004.db2.gz MNRQDIUMLIPCER-UONOGXRCSA-N 2 0 267.417 1.224 20 30 CDEDRP COc1nc(N[C@H]([NH3+])CCC[NH3+])c(C#N)c(C)c1Cl ZINC001170898452 930695661 /nfs/dbraw/zinc/69/56/61/930695661.db2.gz OAMRKGIOEUKNNM-VIFPVBQESA-N 2 0 283.763 1.359 20 30 CDEDRP C#C[C@H](C)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000820427941 930914987 /nfs/dbraw/zinc/91/49/87/930914987.db2.gz MIWYESYGQRJZAB-LSDHHAIUSA-N 2 0 294.443 1.066 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153891352 937481239 /nfs/dbraw/zinc/48/12/39/937481239.db2.gz ZBAJCLUGMMAPFN-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(C#N)cn1)CC2 ZINC001144163344 931677922 /nfs/dbraw/zinc/67/79/22/931677922.db2.gz CHJMNNZUJDBTIH-UHFFFAOYSA-N 2 0 256.353 1.481 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001091305883 932086673 /nfs/dbraw/zinc/08/66/73/932086673.db2.gz RJPYFGHOXGZLKM-UHFFFAOYSA-N 2 0 293.455 1.777 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147848762 932618497 /nfs/dbraw/zinc/61/84/97/932618497.db2.gz UZXTXLGJQPQHQS-UHFFFAOYSA-N 2 0 285.432 1.017 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226646 937651056 /nfs/dbraw/zinc/65/10/56/937651056.db2.gz MBCBDUXNASJTLW-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155811305 937676654 /nfs/dbraw/zinc/67/66/54/937676654.db2.gz HQZWYTUJSTYNOD-ZDUSSCGKSA-N 2 0 253.390 1.143 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001490856594 934555752 /nfs/dbraw/zinc/55/57/52/934555752.db2.gz GJVUOPRPRIDPNF-HNNXBMFYSA-N 2 0 277.412 1.076 20 30 CDEDRP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CCCCCC1)C1CC1 ZINC000092277686 934887201 /nfs/dbraw/zinc/88/72/01/934887201.db2.gz XRVFZSKZPAQLEY-AWEZNQCLSA-N 2 0 266.433 1.954 20 30 CDEDRP CCCNC(=[NH2+])NC[C@@H](CC(C)C)[NH+]1CCCC1 ZINC000303785689 935043644 /nfs/dbraw/zinc/04/36/44/935043644.db2.gz QOASBVHGXUXSPB-CYBMUJFWSA-N 2 0 254.422 1.811 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CC ZINC001037973758 935323108 /nfs/dbraw/zinc/32/31/08/935323108.db2.gz BVXUJZNMNNFOJA-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007348049 935380012 /nfs/dbraw/zinc/38/00/12/935380012.db2.gz YNLPUNUMWXNPGF-LSDHHAIUSA-N 2 0 277.412 1.095 20 30 CDEDRP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001008527988 935405055 /nfs/dbraw/zinc/40/50/55/935405055.db2.gz AKGKIYRFBLCGHI-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001018928033 935688082 /nfs/dbraw/zinc/68/80/82/935688082.db2.gz HUIMIOFYLLHJOD-ZDUSSCGKSA-N 2 0 293.436 1.800 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC2)C1 ZINC001018985051 935690469 /nfs/dbraw/zinc/69/04/69/935690469.db2.gz JGRFVIKFTMOFQK-HOTGVXAUSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001019386181 935703546 /nfs/dbraw/zinc/70/35/46/935703546.db2.gz HEOVOXMTWLXDOM-KRWDZBQOSA-N 2 0 299.418 1.228 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(C)C)C2)CC1 ZINC001019812645 935718376 /nfs/dbraw/zinc/71/83/76/935718376.db2.gz ZTRUDQJUFYEAOB-INIZCTEOSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001039430884 935775119 /nfs/dbraw/zinc/77/51/19/935775119.db2.gz YOFWUQNDVQYEOE-OWCLPIDISA-N 2 0 293.455 1.824 20 30 CDEDRP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046566204 935960344 /nfs/dbraw/zinc/96/03/44/935960344.db2.gz YYMSJWWZXCGFJP-NVXWUHKLSA-N 2 0 291.439 1.322 20 30 CDEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCO[C@H](C)C#N)[C@H](C)C1 ZINC000801943175 936017693 /nfs/dbraw/zinc/01/76/93/936017693.db2.gz MNWSLDXNQDHARJ-OAGGEKHMSA-N 2 0 297.443 1.642 20 30 CDEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)CCC[NH+](C)C)C2)C1 ZINC001121653171 937879288 /nfs/dbraw/zinc/87/92/88/937879288.db2.gz ATXXMGXTNBFGLE-UHFFFAOYSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCC[N@@H+](CC)C(C)C ZINC001121997055 937897804 /nfs/dbraw/zinc/89/78/04/937897804.db2.gz PNXAZKOPTBJTOA-ZDUSSCGKSA-N 2 0 255.406 1.517 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001122101593 937905443 /nfs/dbraw/zinc/90/54/43/937905443.db2.gz QVGWRPRXNHZHCD-UHFFFAOYSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475690 938372444 /nfs/dbraw/zinc/37/24/44/938372444.db2.gz QBZHHBFMBGJUNV-OAHLLOKOSA-N 2 0 281.444 1.568 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158750524 938659910 /nfs/dbraw/zinc/65/99/10/938659910.db2.gz LEQZCNFPHVTYGA-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001159839343 938756594 /nfs/dbraw/zinc/75/65/94/938756594.db2.gz YSPZVOIJNVEZGL-OAHLLOKOSA-N 2 0 281.444 1.636 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001159909806 938759695 /nfs/dbraw/zinc/75/96/95/938759695.db2.gz NOJLTJKQIMSTAE-OAHLLOKOSA-N 2 0 277.412 1.123 20 30 CDEDRP N#Cc1c(NC[C@@H]2CCCC[NH2+]2)ncc2c1CCC[NH2+]C2 ZINC001160145516 938771286 /nfs/dbraw/zinc/77/12/86/938771286.db2.gz RTDGNIYNJQSMEK-ZDUSSCGKSA-N 2 0 285.395 1.543 20 30 CDEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001160499625 938791629 /nfs/dbraw/zinc/79/16/29/938791629.db2.gz FOMLVCZMKABVQT-MRXNPFEDSA-N 2 0 291.439 1.795 20 30 CDEDRP COc1cc(C#N)nc(-n2cc(CC[NH3+])c3c[nH+]ccc32)c1 ZINC001160945545 938847672 /nfs/dbraw/zinc/84/76/72/938847672.db2.gz FBYCWAPQLZALNG-UHFFFAOYSA-N 2 0 293.330 1.802 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164574657 939495395 /nfs/dbraw/zinc/49/53/95/939495395.db2.gz VOAQTEYWDHVPFH-KBPBESRZSA-N 2 0 267.417 1.389 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001165485043 939566856 /nfs/dbraw/zinc/56/68/56/939566856.db2.gz KLWAVTQQUHWXTF-HNNXBMFYSA-N 2 0 293.455 1.779 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001165485368 939567718 /nfs/dbraw/zinc/56/77/18/939567718.db2.gz TWRITBCTJNHVMA-OAHLLOKOSA-N 2 0 291.439 1.226 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166010869 939590799 /nfs/dbraw/zinc/59/07/99/939590799.db2.gz SLEOFNRLVPRQRF-CQSZACIVSA-N 2 0 269.433 1.635 20 30 CDEDRP C=CCOCC[NH2+]CCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001166448591 939608965 /nfs/dbraw/zinc/60/89/65/939608965.db2.gz WRLXYGSTJKNQGI-OAHLLOKOSA-N 2 0 299.459 1.405 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001203739160 939702220 /nfs/dbraw/zinc/70/22/20/939702220.db2.gz CRODRDKGBJRHFY-UHFFFAOYSA-N 2 0 291.439 1.466 20 30 CDEDRP N#Cc1ccccc1C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205210506 939835770 /nfs/dbraw/zinc/83/57/70/939835770.db2.gz PCXTWEYCZROEFD-HNNXBMFYSA-N 2 0 259.353 1.234 20 30 CDEDRP Cc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c(C#N)c1 ZINC001205241253 939841097 /nfs/dbraw/zinc/84/10/97/939841097.db2.gz SAIYHZKTLADYOA-INIZCTEOSA-N 2 0 273.380 1.542 20 30 CDEDRP CCc1cc(C#N)ccc1C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205736104 939929195 /nfs/dbraw/zinc/92/91/95/939929195.db2.gz VAHCSEZDEAREKD-KRWDZBQOSA-N 2 0 287.407 1.796 20 30 CDEDRP C=CCN1C(=O)CCC12CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001207435611 940195836 /nfs/dbraw/zinc/19/58/36/940195836.db2.gz ROXMPTCTROLWKR-UHFFFAOYSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001207894196 940258628 /nfs/dbraw/zinc/25/86/28/940258628.db2.gz DAGVLEVSLWSXDC-KRWDZBQOSA-N 2 0 293.455 1.457 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001208261179 940313432 /nfs/dbraw/zinc/31/34/32/940313432.db2.gz KDKNIAYJKWKQLG-LSDHHAIUSA-N 2 0 297.418 1.270 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001208423481 940330210 /nfs/dbraw/zinc/33/02/10/940330210.db2.gz LMEUGQJQAXGKEZ-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208448193 940331316 /nfs/dbraw/zinc/33/13/16/940331316.db2.gz WEPWHUCNRUEPPA-CQSZACIVSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001208571214 940342317 /nfs/dbraw/zinc/34/23/17/940342317.db2.gz JETFTZNQMGPHOO-RBSFLKMASA-N 2 0 279.428 1.177 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209444350 940589648 /nfs/dbraw/zinc/58/96/48/940589648.db2.gz FWOANCGMQUEMQF-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc(C#N)nc2)CC1 ZINC001209559493 940607290 /nfs/dbraw/zinc/60/72/90/940607290.db2.gz LRIMWVLRCQNKFP-UHFFFAOYSA-N 2 0 294.362 1.844 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210482017 940693392 /nfs/dbraw/zinc/69/33/92/940693392.db2.gz JEOVLCFYSCTNBN-ZDUSSCGKSA-N 2 0 287.835 1.661 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210674092 940705498 /nfs/dbraw/zinc/70/54/98/940705498.db2.gz NBWAFDMKFGLYTR-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001215516277 940891394 /nfs/dbraw/zinc/89/13/94/940891394.db2.gz AMQUADWMMFMMOX-BZUAXINKSA-N 2 0 293.455 1.567 20 30 CDEDRP C[C@@H](C#N)c1ccc(NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)cc1 ZINC001218871541 941282185 /nfs/dbraw/zinc/28/21/85/941282185.db2.gz OMLRRFBTIKZTKL-HZMBPMFUSA-N 2 0 283.335 1.545 20 30 CDEDRP N#CCc1cccc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])c1 ZINC001218987028 941297409 /nfs/dbraw/zinc/29/74/09/941297409.db2.gz AUCLKTHHHRHSGH-ZDUSSCGKSA-N 2 0 274.368 1.538 20 30 CDEDRP N#CCc1cc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])ccc1F ZINC001219518815 941351756 /nfs/dbraw/zinc/35/17/56/941351756.db2.gz YQKQFEBBAMOPIV-LBPRGKRZSA-N 2 0 292.358 1.677 20 30 CDEDRP C#Cc1ccc(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC001220382270 941441920 /nfs/dbraw/zinc/44/19/20/941441920.db2.gz UFXHIMPRAVGYBW-INIZCTEOSA-N 2 0 297.402 1.158 20 30 CDEDRP C=C1CC=C(F)C=C1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220796721 941473240 /nfs/dbraw/zinc/47/32/40/941473240.db2.gz AZVDMCAJPNGZMQ-ZDUSSCGKSA-N 2 0 291.370 1.674 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789001 941551196 /nfs/dbraw/zinc/55/11/96/941551196.db2.gz AWQNZUQZYODVFR-ZIAGYGMSSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001222613296 941620207 /nfs/dbraw/zinc/62/02/07/941620207.db2.gz VPRXJICWDZJLHE-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001224246116 941732878 /nfs/dbraw/zinc/73/28/78/941732878.db2.gz VRRNTXXXTWTIIE-CVEARBPZSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224337963 941744403 /nfs/dbraw/zinc/74/44/03/941744403.db2.gz OGIRQIKIJFVGHN-UHFFFAOYSA-N 2 0 267.417 1.342 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001225582270 941884825 /nfs/dbraw/zinc/88/48/25/941884825.db2.gz HDLLSMYHAAUHSV-UHFFFAOYSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001226800612 942074000 /nfs/dbraw/zinc/07/40/00/942074000.db2.gz MVRCVMZZRRUFGQ-BZUAXINKSA-N 2 0 293.455 1.920 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC001263094735 943741343 /nfs/dbraw/zinc/74/13/43/943741343.db2.gz QNWDNGLSOVFRBZ-HNNXBMFYSA-N 2 0 279.428 1.757 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC001263105769 943747522 /nfs/dbraw/zinc/74/75/22/943747522.db2.gz XSVVGQSBIAFUNH-GFCCVEGCSA-N 2 0 253.390 1.176 20 30 CDEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235590287 944213661 /nfs/dbraw/zinc/21/36/61/944213661.db2.gz YLJOEDZNLBWMJU-GJZGRUSLSA-N 2 0 279.428 1.129 20 30 CDEDRP C=CCCCC[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236024090 944380821 /nfs/dbraw/zinc/38/08/21/944380821.db2.gz UURJMTSFEZGXEB-DLTWYDFYSA-N 2 0 292.423 1.673 20 30 CDEDRP C=CC[NH2+]CCN1CC[NH2+]C[C@@H]1c1cccs1 ZINC001236111562 944406212 /nfs/dbraw/zinc/40/62/12/944406212.db2.gz KVHNQPCJYGXBSD-GFCCVEGCSA-N 2 0 251.399 1.470 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)[C@H]1CC[C@@H](C#N)C1 ZINC001254671257 947588265 /nfs/dbraw/zinc/58/82/65/947588265.db2.gz QFJIPWTXEQSCED-CVEARBPZSA-N 2 0 280.460 1.884 20 30 CDEDRP [NH2+]=C(NC1CC[NH+](C2CC2)CC1)c1ccc(F)cn1 ZINC001256067731 948192460 /nfs/dbraw/zinc/19/24/60/948192460.db2.gz HVMCVGANHVHFLC-UHFFFAOYSA-N 2 0 262.332 1.553 20 30 CDEDRP N#CC1(c2ccccc2)CCC([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246581687 948308993 /nfs/dbraw/zinc/30/89/93/948308993.db2.gz UJJWHALEYIQIPB-FQXVJMBOSA-N 2 0 299.418 1.642 20 30 CDEDRP CC[C@@H](CC#N)[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246861340 948487983 /nfs/dbraw/zinc/48/79/83/948487983.db2.gz XTLXMEIDKWYPAU-SRTKAIALSA-N 2 0 291.395 1.009 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001436387556 962227212 /nfs/dbraw/zinc/22/72/12/962227212.db2.gz ABZHPPBRIXSPKF-UBHSHLNASA-N 2 0 299.846 1.565 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001340056708 962712469 /nfs/dbraw/zinc/71/24/69/962712469.db2.gz OPMFDBKISTXIDQ-KBPBESRZSA-N 2 0 267.417 1.517 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1CC ZINC001341632494 963490502 /nfs/dbraw/zinc/49/05/02/963490502.db2.gz VWMYFQQZZFXYTQ-OLZOCXBDSA-N 2 0 253.390 1.271 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001439614174 963822704 /nfs/dbraw/zinc/82/27/04/963822704.db2.gz YPYKNVXFIPBSKL-CYBMUJFWSA-N 2 0 299.846 1.850 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[C@@H]([NH3+])CC(C)C)CC1 ZINC001343423885 963978137 /nfs/dbraw/zinc/97/81/37/963978137.db2.gz NESAFSGRPOUNBG-ZDUSSCGKSA-N 2 0 267.417 1.517 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001825162 967308537 /nfs/dbraw/zinc/30/85/37/967308537.db2.gz JJMPOPFRJVFACD-GOEBONIOSA-N 2 0 293.455 1.588 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001448982067 967321907 /nfs/dbraw/zinc/32/19/07/967321907.db2.gz PVYJLTOEPACBPC-QWHCGFSZSA-N 2 0 287.835 1.660 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001100383408 968183305 /nfs/dbraw/zinc/18/33/05/968183305.db2.gz ZUXIZIYEJJIPOE-GPANFISMSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001100418972 968291778 /nfs/dbraw/zinc/29/17/78/968291778.db2.gz KIPNPRLWPLOKNB-GPANFISMSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001521439563 970298614 /nfs/dbraw/zinc/29/86/14/970298614.db2.gz SHTGMHXTHPLFKE-OAHLLOKOSA-N 2 0 279.428 1.661 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001373969901 973699165 /nfs/dbraw/zinc/69/91/65/973699165.db2.gz SAJHHJLKBUYOAZ-CYBMUJFWSA-N 2 0 287.835 1.661 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001506741642 975214722 /nfs/dbraw/zinc/21/47/22/975214722.db2.gz IOCSLVVELGPQAC-CABCVRRESA-N 2 0 295.471 1.975 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001406935921 976484216 /nfs/dbraw/zinc/48/42/16/976484216.db2.gz HXDGEMOBZYLCLA-GFCCVEGCSA-N 2 0 285.819 1.462 20 30 CDEDRP C=C(Cl)CN(C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001381628495 976959148 /nfs/dbraw/zinc/95/91/48/976959148.db2.gz OXFIYBLPWLGJEV-OLZOCXBDSA-N 2 0 289.851 1.762 20 30 CDEDRP C[C@@H](C#N)C[NH+](C)CCCC[N@@H+](C)C[C@H](C)C#N ZINC000077270105 342327292 /nfs/dbraw/zinc/32/72/92/342327292.db2.gz LXZTWUQHKUSKRM-OKILXGFUSA-N 2 0 250.390 1.950 20 30 CDEDRP C[NH+]=C(NCc1ccsc1)NC[C@H]1CC[N@H+](C)C1 ZINC000083802567 342377765 /nfs/dbraw/zinc/37/77/65/342377765.db2.gz ICXUXFYVTXLQEO-LLVKDONJSA-N 2 0 266.414 1.365 20 30 CDEDRP Cn1ccnc1N1CCN(Cc2cc(C#N)cs2)CC1 ZINC000597250263 343498529 /nfs/dbraw/zinc/49/85/29/343498529.db2.gz URKRMHDERUKCRQ-UHFFFAOYSA-N 2 0 287.392 1.675 20 30 CDEDRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CC(C)(C)C#N)CC[C@@H]21 ZINC000598592617 343838992 /nfs/dbraw/zinc/83/89/92/343838992.db2.gz KEYMRJNGJOLVFT-KFWWJZLASA-N 2 0 279.428 1.703 20 30 CDEDRP C[C@H](C[NH2+]C[C@@H](C)CCC#N)CN1CC[NH+](C)CC1 ZINC000602542472 344459859 /nfs/dbraw/zinc/45/98/59/344459859.db2.gz YHHIBOTVLWAHET-LSDHHAIUSA-N 2 0 266.433 1.399 20 30 CDEDRP C[NH+]1CCC2(CC[N@H+](C[C@H](O)CC(C)(C)C#N)C2)CC1 ZINC000602878931 344632342 /nfs/dbraw/zinc/63/23/42/344632342.db2.gz VBFHRAKKNNKGLD-CQSZACIVSA-N 2 0 279.428 1.705 20 30 CDEDRP N#Cc1cccc(C[NH2+]CCCNc2ccccn2)n1 ZINC000602587465 350128955 /nfs/dbraw/zinc/12/89/55/350128955.db2.gz HLBBPFFKCSLIBX-UHFFFAOYSA-N 2 0 267.336 1.940 20 30 CDEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000253354620 350493130 /nfs/dbraw/zinc/49/31/30/350493130.db2.gz FCENHRKDDBJGJY-OAGGEKHMSA-N 2 0 279.428 1.895 20 30 CDEDRP CC(C)[C@@H](C[NH+]=C(N(C)C)N(C)C)[NH+]1CCCC1 ZINC000072272427 356717682 /nfs/dbraw/zinc/71/76/82/356717682.db2.gz QQOJSFWCKUHTLZ-CYBMUJFWSA-N 2 0 254.422 1.586 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000106328262 357236286 /nfs/dbraw/zinc/23/62/86/357236286.db2.gz JTKXAPVFDKHVLY-UHFFFAOYSA-N 2 0 294.443 1.420 20 30 CDEDRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000177684900 359187507 /nfs/dbraw/zinc/18/75/07/359187507.db2.gz LZHWTJVBYPBNMR-UHFFFAOYSA-N 2 0 292.452 1.737 20 30 CDEDRP C[C@@H](C(=O)NC1(C#N)CCC1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000562300115 361236222 /nfs/dbraw/zinc/23/62/22/361236222.db2.gz FWXLBSNHJLUZQW-KBPBESRZSA-N 2 0 292.427 1.211 20 30 CDEDRP CC(C)CNC(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000104171729 390485943 /nfs/dbraw/zinc/48/59/43/390485943.db2.gz UCTNTGVETGZKFM-UHFFFAOYSA-N 2 0 262.401 1.809 20 30 CDEDRP CCN(CCC#N)C(=O)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152414704 390661009 /nfs/dbraw/zinc/66/10/09/390661009.db2.gz AKCIDSUILOMCHZ-CQSZACIVSA-N 2 0 280.416 1.022 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000236660721 390918076 /nfs/dbraw/zinc/91/80/76/390918076.db2.gz IINGRRPZFAMNTC-AWEZNQCLSA-N 2 0 277.412 1.143 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000351753507 391090723 /nfs/dbraw/zinc/09/07/23/391090723.db2.gz WDECKYJTRIEYGR-HZPDHXFCSA-N 2 0 265.445 1.910 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)NCC[NH+](C)C1CCCC1 ZINC000491466049 391139859 /nfs/dbraw/zinc/13/98/59/391139859.db2.gz YXGNAMVSKLWPAB-UHFFFAOYSA-N 2 0 294.443 1.115 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000519753913 391700387 /nfs/dbraw/zinc/70/03/87/391700387.db2.gz ZIAKMVYEIZHYLM-AWEZNQCLSA-N 2 0 294.443 1.326 20 30 CDEDRP C=C(C)C[NH+]1CCC(N[C@H]2C[N@H+](CC)C[C@@H]2C)CC1 ZINC000344261561 391900267 /nfs/dbraw/zinc/90/02/67/391900267.db2.gz MUILJJUCVIFETC-HOCLYGCPSA-N 2 0 265.445 1.957 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000262668561 131249474 /nfs/dbraw/zinc/24/94/74/131249474.db2.gz QMSTXXMLVSBPQR-MRXNPFEDSA-N 2 0 287.407 1.761 20 30 CDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000660741406 413428958 /nfs/dbraw/zinc/42/89/58/413428958.db2.gz RBOZGYWFDGSPTP-MJBXVCDLSA-N 2 0 256.390 1.011 20 30 CDEDRP CC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000423175444 286907182 /nfs/dbraw/zinc/90/71/82/286907182.db2.gz AMCCULIOOLWYBO-QGZVFWFLSA-N 2 0 286.423 1.894 20 30 CDEDRP COc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1C#N ZINC000235001911 165046815 /nfs/dbraw/zinc/04/68/15/165046815.db2.gz RAYKYRQRITWGTN-RISCZKNCSA-N 2 0 259.353 1.736 20 30 CDEDRP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000345767781 265097755 /nfs/dbraw/zinc/09/77/55/265097755.db2.gz HOVSUTKZTUVFNC-ZDUSSCGKSA-N 2 0 292.427 1.211 20 30 CDEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192842659 289603750 /nfs/dbraw/zinc/60/37/50/289603750.db2.gz XGAHMHVFXOUYBM-QLFBSQMISA-N 2 0 264.417 1.294 20 30 CDEDRP C=CCCCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000560186374 327288987 /nfs/dbraw/zinc/28/89/87/327288987.db2.gz AWRLTQNCOMCXRW-UHFFFAOYSA-N 2 0 279.428 1.583 20 30 CDEDRP C[C@H](C[NH+]=C(N(C)C)N(C)C)[NH+]1CCC(C)CC1 ZINC000261975514 329993143 /nfs/dbraw/zinc/99/31/43/329993143.db2.gz FWVOTULYSMGPSM-CYBMUJFWSA-N 2 0 254.422 1.586 20 30 CDEDRP C#C[C@H](NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)C(C)(C)C ZINC000262334101 330006649 /nfs/dbraw/zinc/00/66/49/330006649.db2.gz WIFOWCKEROHBDW-STQMWFEESA-N 2 0 264.417 1.423 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H](OC)C1(C)C ZINC000262774336 330030530 /nfs/dbraw/zinc/03/05/30/330030530.db2.gz HYJYHEUCFZFQAQ-UPJWGTAASA-N 2 0 282.432 1.189 20 30 CDEDRP CN1CCC[NH+]=C1NCC[N@@H+]1CCCC(C)(C)C1 ZINC000263056170 330041297 /nfs/dbraw/zinc/04/12/97/330041297.db2.gz DYXYOERIGXGKEW-UHFFFAOYSA-N 2 0 252.406 1.390 20 30 CDEDRP C=CC[C@@H](CO)C[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423016679 330165334 /nfs/dbraw/zinc/16/53/34/330165334.db2.gz NDQORVBJAQUCJL-ZIAGYGMSSA-N 2 0 298.427 1.082 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000424148056 330294844 /nfs/dbraw/zinc/29/48/44/330294844.db2.gz SZBSKDYCCUDKOB-GJZGRUSLSA-N 2 0 292.427 1.388 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000424148057 330294907 /nfs/dbraw/zinc/29/49/07/330294907.db2.gz SZBSKDYCCUDKOB-HUUCEWRRSA-N 2 0 292.427 1.388 20 30 CDEDRP C[NH+](C)[C@]1(CNC[C@H](C#N)CCC#N)CCSC1 ZINC000581603041 336110222 /nfs/dbraw/zinc/11/02/22/336110222.db2.gz HOTSWWQVYFRBDR-STQMWFEESA-N 2 0 266.414 1.457 20 30 CDEDRP C#CCC[NH2+]CCN(CC)C(=O)CC[NH+]1CCCCC1 ZINC001754084901 1185454052 /nfs/dbraw/zinc/45/40/52/1185454052.db2.gz PIPXILGUXKRPHW-UHFFFAOYSA-N 2 0 279.428 1.324 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001113536230 1162208900 /nfs/dbraw/zinc/20/89/00/1162208900.db2.gz JPRAEXNPMWSRCP-OAHLLOKOSA-N 2 0 279.428 1.439 20 30 CDEDRP CC(C)(CCC#N)C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000344262484 526997177 /nfs/dbraw/zinc/99/71/77/526997177.db2.gz OTLHBHJXTOAICS-AWEZNQCLSA-N 2 0 294.443 1.493 20 30 CDEDRP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000981367906 612973287 /nfs/dbraw/zinc/97/32/87/612973287.db2.gz PKAYHDVEZVREGA-HOTGVXAUSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CCC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000981388010 613004490 /nfs/dbraw/zinc/00/44/90/613004490.db2.gz XMIMCWQNNDFALE-HNNXBMFYSA-N 2 0 279.428 1.130 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000971640741 613092814 /nfs/dbraw/zinc/09/28/14/613092814.db2.gz HYHUJZNCKPEEFB-LSDHHAIUSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968386706 613214051 /nfs/dbraw/zinc/21/40/51/613214051.db2.gz OFNWVIGPASEEBS-ZBFHGGJFSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC000970365699 613301652 /nfs/dbraw/zinc/30/16/52/613301652.db2.gz FASBVXXOAZDPJH-ZDUSSCGKSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974605727 613338146 /nfs/dbraw/zinc/33/81/46/613338146.db2.gz NHZISYHTVZLOAM-RBSFLKMASA-N 2 0 293.455 1.729 20 30 CDEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000975029572 613544158 /nfs/dbraw/zinc/54/41/58/613544158.db2.gz BYJWAYARPAPEML-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1CC ZINC000962758050 613564789 /nfs/dbraw/zinc/56/47/89/613564789.db2.gz VFMAZROFPDPWJN-QXSJWSMHSA-N 2 0 291.439 1.483 20 30 CDEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000970316647 613668713 /nfs/dbraw/zinc/66/87/13/613668713.db2.gz DTSQAQUYLGTISE-LSDHHAIUSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@H+]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000983492963 613688717 /nfs/dbraw/zinc/68/87/17/613688717.db2.gz UBRKESCSHOHWBH-UHFFFAOYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944152210 613780231 /nfs/dbraw/zinc/78/02/31/613780231.db2.gz CCGFFGRRWSUSDF-KBPBESRZSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982235297 613823252 /nfs/dbraw/zinc/82/32/52/613823252.db2.gz LOQICAWQETZGBX-OIISXLGYSA-N 2 0 291.439 1.437 20 30 CDEDRP C#C[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCCO1 ZINC000800375108 618406853 /nfs/dbraw/zinc/40/68/53/618406853.db2.gz XUZGHUJVURROMO-IRXDYDNUSA-N 2 0 293.455 1.173 20 30 CDEDRP C=CC[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C)COC ZINC000903766887 626084588 /nfs/dbraw/zinc/08/45/88/626084588.db2.gz CMTDRLDASDDDKC-CABCVRRESA-N 2 0 282.428 1.668 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911651680 629397349 /nfs/dbraw/zinc/39/73/49/629397349.db2.gz CJPBEASDNSNJIE-OLZOCXBDSA-N 2 0 255.406 1.624 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000911655879 629401726 /nfs/dbraw/zinc/40/17/26/629401726.db2.gz KWIMNSYIWIXVCZ-KBPBESRZSA-N 2 0 269.433 1.885 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000911819293 629546846 /nfs/dbraw/zinc/54/68/46/629546846.db2.gz PHNMFWAQWXKLIE-KBPBESRZSA-N 2 0 267.417 1.694 20 30 CDEDRP CC(C)(C)NC(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)=[NH+]C1CC1 ZINC000912507109 630048885 /nfs/dbraw/zinc/04/88/85/630048885.db2.gz VBPLEWPODMUHMA-ZIAGYGMSSA-N 2 0 294.443 1.346 20 30 CDEDRP C=CC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129422661 1162472179 /nfs/dbraw/zinc/47/21/79/1162472179.db2.gz KIWJGUPGTCEJST-CQSZACIVSA-N 2 0 265.401 1.285 20 30 CDEDRP CN(C)/C=[NH+]/c1ccc(-n2ccnc2C(N)=[NH2+])cc1C#N ZINC001168417484 1161037006 /nfs/dbraw/zinc/03/70/06/1161037006.db2.gz HBUYUWPKTYQTAI-DJKKODMXSA-N 2 0 281.323 1.249 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133090165 1163567864 /nfs/dbraw/zinc/56/78/64/1163567864.db2.gz CZGOSHYEGLEINB-UONOGXRCSA-N 2 0 267.417 1.198 20 30 CDEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001133262717 1163616781 /nfs/dbraw/zinc/61/67/81/1163616781.db2.gz LUFKJGCQPIKIHK-CVEARBPZSA-N 2 0 293.455 1.426 20 30 CDEDRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC#Cc2ccccc2)C1 ZINC001133853672 1163926223 /nfs/dbraw/zinc/92/62/23/1163926223.db2.gz OCOLQYWLRYVGLN-MRXNPFEDSA-N 2 0 299.418 1.086 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773143 1164103819 /nfs/dbraw/zinc/10/38/19/1164103819.db2.gz LYEIGGVYNGTKNA-UONOGXRCSA-N 2 0 281.444 1.613 20 30 CDEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)CC ZINC001114483940 1165327162 /nfs/dbraw/zinc/32/71/62/1165327162.db2.gz OLLNARYWBLMUBM-FICVDOATSA-N 2 0 293.455 1.729 20 30 CDEDRP C[C@H](CCC#N)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877746816 1166092631 /nfs/dbraw/zinc/09/26/31/1166092631.db2.gz YFCCDGRSNAAPRM-OAHLLOKOSA-N 2 0 278.444 1.638 20 30 CDEDRP C=CCOc1cccc(C[NH2+]C[C@H]2[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001574948110 1171058239 /nfs/dbraw/zinc/05/82/39/1171058239.db2.gz SWPNWCTVDWUVFT-PHZGNYQRSA-N 2 0 258.365 1.806 20 30 CDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001574961419 1171064149 /nfs/dbraw/zinc/06/41/49/1171064149.db2.gz YCBMLPKALVQJDJ-KFWWJZLASA-N 2 0 280.412 1.468 20 30 CDEDRP CN1CC[C@@](O)(C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC001657743349 1171985117 /nfs/dbraw/zinc/98/51/17/1171985117.db2.gz RDUNMEHJAQNBJV-JXQTWKCFSA-N 2 0 251.374 1.115 20 30 CDEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001713097112 1178365234 /nfs/dbraw/zinc/36/52/34/1178365234.db2.gz MAQRJKBRNOLXLV-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001753007347 1184991803 /nfs/dbraw/zinc/99/18/03/1184991803.db2.gz KLLIDTSXZVGRQE-GFCCVEGCSA-N 2 0 253.390 1.141 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001753130652 1185077166 /nfs/dbraw/zinc/07/71/66/1185077166.db2.gz XBXIBZKUDXWLLS-CABCVRRESA-N 2 0 299.434 1.681 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001753140263 1185080969 /nfs/dbraw/zinc/08/09/69/1185080969.db2.gz MJMBELVESFGZKN-OAHLLOKOSA-N 2 0 279.428 1.487 20 30 CDEDRP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001753242764 1185129328 /nfs/dbraw/zinc/12/93/28/1185129328.db2.gz VQZKIBHVEBLNME-OAHLLOKOSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001753414397 1185193535 /nfs/dbraw/zinc/19/35/35/1185193535.db2.gz KYVGVACFXYGIGB-UHFFFAOYSA-N 2 0 267.417 1.342 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001753450233 1185213197 /nfs/dbraw/zinc/21/31/97/1185213197.db2.gz PVFXXSSYIFNYQK-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001753450232 1185213757 /nfs/dbraw/zinc/21/37/57/1185213757.db2.gz PVFXXSSYIFNYQK-INIZCTEOSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CC[NH2+][C@H](CC)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001753487935 1185233129 /nfs/dbraw/zinc/23/31/29/1185233129.db2.gz MWZAHMITBMELPA-HUUCEWRRSA-N 2 0 281.444 1.921 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001753683648 1185299274 /nfs/dbraw/zinc/29/92/74/1185299274.db2.gz OTSIYCCEIPXSPS-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001753742434 1185325489 /nfs/dbraw/zinc/32/54/89/1185325489.db2.gz SBKMKVYJGXUEBM-CVEARBPZSA-N 2 0 293.455 1.472 20 30 CDEDRP C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)CCC ZINC001753811779 1185342927 /nfs/dbraw/zinc/34/29/27/1185342927.db2.gz AOTJNPSBKWZUPY-HOTGVXAUSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CCCC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001754371329 1185600318 /nfs/dbraw/zinc/60/03/18/1185600318.db2.gz GXIOEJLFWFFUIC-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001754691077 1185707836 /nfs/dbraw/zinc/70/78/36/1185707836.db2.gz UPJYHZAPUZWZEI-GOEBONIOSA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CC[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001755414536 1185946028 /nfs/dbraw/zinc/94/60/28/1185946028.db2.gz XPEWJPQHFMGDIW-AWEZNQCLSA-N 2 0 279.428 1.178 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001755664468 1186029433 /nfs/dbraw/zinc/02/94/33/1186029433.db2.gz SSAZBQHQPCRUMA-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001755743492 1186054775 /nfs/dbraw/zinc/05/47/75/1186054775.db2.gz JFEZPNYGDASHNJ-GJZGRUSLSA-N 2 0 291.439 1.226 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001003633343 811885281 /nfs/dbraw/zinc/88/52/81/811885281.db2.gz GAGZFHRUJKJNIQ-DZGCQCFKSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001020151199 812823833 /nfs/dbraw/zinc/82/38/33/812823833.db2.gz OVYCUIGIEFIDMC-HDJSIYSDSA-N 2 0 279.428 1.674 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046197568 813106338 /nfs/dbraw/zinc/10/63/38/813106338.db2.gz MJVCIQOYBYOETK-DZGCQCFKSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032959431 804990615 /nfs/dbraw/zinc/99/06/15/804990615.db2.gz GKKNJYFQVBFBBP-KBPBESRZSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CCN1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001038777150 805064090 /nfs/dbraw/zinc/06/40/90/805064090.db2.gz YNOYFQFAJCRXIM-HUUCEWRRSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CC[C@@H](CO)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000883125130 805070732 /nfs/dbraw/zinc/07/07/32/805070732.db2.gz ZQSOOMMBQHJMAG-SFHVURJKSA-N 2 0 297.402 1.496 20 30 CDEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001031675978 805105006 /nfs/dbraw/zinc/10/50/06/805105006.db2.gz YBPDNGDZUATNTR-MRXNPFEDSA-N 2 0 291.439 1.342 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001022076974 811078065 /nfs/dbraw/zinc/07/80/65/811078065.db2.gz GYMLJQNWPDLDQW-WCVJEAGWSA-N 2 0 291.439 1.674 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001001008226 811119662 /nfs/dbraw/zinc/11/96/62/811119662.db2.gz MRGDYOHWCKOFLP-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001016692069 811320122 /nfs/dbraw/zinc/32/01/22/811320122.db2.gz ZIHMXNUPGYPZHL-LSDHHAIUSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH2+]C1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001026561092 811329089 /nfs/dbraw/zinc/32/90/89/811329089.db2.gz OCGHVPHGOWNMOU-NFOMZHRRSA-N 2 0 279.428 1.674 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000989449528 811352549 /nfs/dbraw/zinc/35/25/49/811352549.db2.gz IPDVYJKDCYNVJA-KBPBESRZSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049480196 811575078 /nfs/dbraw/zinc/57/50/78/811575078.db2.gz DXTCGEZRUDFHAB-WCVJEAGWSA-N 2 0 289.423 1.025 20 30 CDEDRP C[NH+](C)CCN1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000075771528 811800098 /nfs/dbraw/zinc/80/00/98/811800098.db2.gz WFAVAHRTUADIIC-UHFFFAOYSA-N 2 0 286.423 1.674 20 30 CDEDRP C[C@@H]1CCC[C@](CNC2=[NH+]CCN2C)([NH+](C)C)C1 ZINC000261588688 811812157 /nfs/dbraw/zinc/81/21/57/811812157.db2.gz VVYIHYKGKFJPKZ-OCCSQVGLSA-N 2 0 252.406 1.388 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001021088332 811835264 /nfs/dbraw/zinc/83/52/64/811835264.db2.gz NAHVPBJNQXNBQE-XUXIUFHCSA-N 2 0 299.846 1.849 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001034672848 811845590 /nfs/dbraw/zinc/84/55/90/811845590.db2.gz SCIXHADOACCMMS-KKUMJFAQSA-N 2 0 279.428 1.674 20 30 CDEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000303894754 811847161 /nfs/dbraw/zinc/84/71/61/811847161.db2.gz SUHZFGZKGSTNRI-ZDUSSCGKSA-N 2 0 252.406 1.423 20 30 CDEDRP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049535183 811870681 /nfs/dbraw/zinc/87/06/81/811870681.db2.gz YUZPDVZHEUYCNI-OAGGEKHMSA-N 2 0 291.439 1.271 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOC(F)F ZINC000193284037 811882565 /nfs/dbraw/zinc/88/25/65/811882565.db2.gz ROCFOCVGEPLASI-JTQLQIEISA-N 2 0 278.347 1.004 20 30 CDEDRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)CC3(C#N)CCC3)C2)C1 ZINC000886218356 811882623 /nfs/dbraw/zinc/88/26/23/811882623.db2.gz TTXGIAHHKCACER-WBVHZDCISA-N 2 0 291.439 1.849 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015796958 811942505 /nfs/dbraw/zinc/94/25/05/811942505.db2.gz UNRHZHZLAXQKKQ-CVEARBPZSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001036131717 812033576 /nfs/dbraw/zinc/03/35/76/812033576.db2.gz LFJKUDXDPRDBSU-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033595401 812308155 /nfs/dbraw/zinc/30/81/55/812308155.db2.gz SNNUIAVHBBUQDF-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP CC(C)C[C@@H](CNC(=[NH2+])N1CCCCC1)[NH+](C)C ZINC000303788843 812318748 /nfs/dbraw/zinc/31/87/48/812318748.db2.gz UUZRGBIXSDLHHR-ZDUSSCGKSA-N 2 0 254.422 1.763 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC001074832520 812333266 /nfs/dbraw/zinc/33/32/66/812333266.db2.gz VJRKBWJAXBSCHP-VGWMRTNUSA-N 2 0 293.455 1.872 20 30 CDEDRP C#CCC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034527378 812373939 /nfs/dbraw/zinc/37/39/39/812373939.db2.gz DGBGRJVBJRKFKF-HNNXBMFYSA-N 2 0 277.412 1.076 20 30 CDEDRP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001041141141 812656949 /nfs/dbraw/zinc/65/69/49/812656949.db2.gz MCGZVTOVDSODJR-RDJZCZTQSA-N 2 0 291.439 1.581 20 30 CDEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001076145959 812723948 /nfs/dbraw/zinc/72/39/48/812723948.db2.gz CHGIHPSLGKQBBR-HRCADAONSA-N 2 0 289.423 1.027 20 30 CDEDRP CC[N@H+](CCNC(=[NH2+])Nc1cccc(OC)c1)C1CC1 ZINC000303969421 812805661 /nfs/dbraw/zinc/80/56/61/812805661.db2.gz BSOAACIFYZMMBC-UHFFFAOYSA-N 2 0 276.384 1.906 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000104169829 812813628 /nfs/dbraw/zinc/81/36/28/812813628.db2.gz RSLJXLJIMKKRBA-KBPBESRZSA-N 2 0 284.448 1.580 20 30 CDEDRP C#CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001050546253 812836834 /nfs/dbraw/zinc/83/68/34/812836834.db2.gz LLKNVVSBBVDDOQ-UHFFFAOYSA-N 2 0 289.423 1.028 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NCC(C)(C)[NH+]1CCCCC1 ZINC000303773205 812841969 /nfs/dbraw/zinc/84/19/69/812841969.db2.gz FGKIDKLVUXTKRN-GFCCVEGCSA-N 2 0 270.421 1.190 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996608896 812886756 /nfs/dbraw/zinc/88/67/56/812886756.db2.gz HUTHXPYXLFXFNO-KGLIPLIRSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001022089690 812962590 /nfs/dbraw/zinc/96/25/90/812962590.db2.gz LRVKNWUJXNGTIZ-QLFBSQMISA-N 2 0 277.412 1.141 20 30 CDEDRP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052531727 813026362 /nfs/dbraw/zinc/02/63/62/813026362.db2.gz MXXXWQUCYLSLEP-HNNXBMFYSA-N 2 0 296.374 1.552 20 30 CDEDRP C#C[C@H](NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000849045493 813191658 /nfs/dbraw/zinc/19/16/58/813191658.db2.gz KSLNWLPZTJWRBA-CVEARBPZSA-N 2 0 284.407 1.959 20 30 CDEDRP C=CC[N@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001046422558 813446834 /nfs/dbraw/zinc/44/68/34/813446834.db2.gz UQJQOBZBBFDVJB-MRXNPFEDSA-N 2 0 284.363 1.943 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001017945555 813484061 /nfs/dbraw/zinc/48/40/61/813484061.db2.gz RIJNVBNCQNBUDW-HRCADAONSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001015795445 813719522 /nfs/dbraw/zinc/71/95/22/813719522.db2.gz QAFYBUAHIWVPFI-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001000701512 813762362 /nfs/dbraw/zinc/76/23/62/813762362.db2.gz JWLVBLWWMOHRIT-GDBMZVCRSA-N 2 0 289.423 1.098 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001034612037 813810121 /nfs/dbraw/zinc/81/01/21/813810121.db2.gz OXXKPQBOCKPXRN-IHRRRGAJSA-N 2 0 299.846 1.850 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034793343 813815613 /nfs/dbraw/zinc/81/56/13/813815613.db2.gz XPCGHRSEYNMKAB-IHRRRGAJSA-N 2 0 299.846 1.708 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001050668521 813837854 /nfs/dbraw/zinc/83/78/54/813837854.db2.gz UALSEHNDJIHRFQ-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001035851604 813838943 /nfs/dbraw/zinc/83/89/43/813838943.db2.gz SYNRLKKUMRHLDZ-UHFFFAOYSA-N 2 0 289.423 1.030 20 30 CDEDRP C[C@H](CCNC(=[NH2+])N(C)C1CC1)[NH+]1CCCCC1 ZINC000305839819 813839055 /nfs/dbraw/zinc/83/90/55/813839055.db2.gz YRAZUZSVFIFMOT-GFCCVEGCSA-N 2 0 252.406 1.660 20 30 CDEDRP C#CCC[NH+]1CCC(C)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001045543829 813853409 /nfs/dbraw/zinc/85/34/09/813853409.db2.gz QINDQHRPDLATRA-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000876723828 813879697 /nfs/dbraw/zinc/87/96/97/813879697.db2.gz XYTNQGXXNSRYML-XQQFMLRXSA-N 2 0 287.835 1.835 20 30 CDEDRP CC[C@H](C)NC(=[NH2+])NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000303263647 813883839 /nfs/dbraw/zinc/88/38/39/813883839.db2.gz RGNBVSWXWBRPNA-RWMBFGLXSA-N 2 0 254.422 1.810 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001036207999 813924007 /nfs/dbraw/zinc/92/40/07/813924007.db2.gz ILOBBJLPZCFLOB-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCN1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071820601 813990049 /nfs/dbraw/zinc/99/00/49/813990049.db2.gz ALYIJEOLOFGJLH-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001031919265 814023827 /nfs/dbraw/zinc/02/38/27/814023827.db2.gz QEYPJMBSECHZJY-MRXNPFEDSA-N 2 0 291.439 1.180 20 30 CDEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001005589549 814108838 /nfs/dbraw/zinc/10/88/38/814108838.db2.gz RHEYPSXVYOCSLL-INIZCTEOSA-N 2 0 291.439 1.417 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001018999138 814403402 /nfs/dbraw/zinc/40/34/02/814403402.db2.gz HRCHNLLEVHIJMN-KBPBESRZSA-N 2 0 267.417 1.339 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001016541231 814423455 /nfs/dbraw/zinc/42/34/55/814423455.db2.gz XPBIMGHZCRDZIQ-ZIAGYGMSSA-N 2 0 277.412 1.237 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001048894953 814506045 /nfs/dbraw/zinc/50/60/45/814506045.db2.gz JUPIAICSXAWHRC-OWCLPIDISA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[NH+](C)C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000985647946 814573711 /nfs/dbraw/zinc/57/37/11/814573711.db2.gz SBJIMHGGLLIMJJ-OAHLLOKOSA-N 2 0 293.455 1.970 20 30 CDEDRP C[NH+]=C(NC[C@H]1CCC[N@H+](CC(C)C)C1)NC1CC1 ZINC000305166331 814621532 /nfs/dbraw/zinc/62/15/32/814621532.db2.gz DASUCFFGWGLOFL-CYBMUJFWSA-N 2 0 266.433 1.682 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001019130890 814768236 /nfs/dbraw/zinc/76/82/36/814768236.db2.gz AKYYDWHJLPCOAU-ZDUSSCGKSA-N 2 0 297.362 1.257 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999145779 816779653 /nfs/dbraw/zinc/77/96/53/816779653.db2.gz SJHNPSZXPJGRIR-LSDHHAIUSA-N 2 0 277.412 1.073 20 30 CDEDRP CCC[NH+]1CCC([N@H+](C)CCO[C@@H](C)C#N)CC1 ZINC000801924667 816809612 /nfs/dbraw/zinc/80/96/12/816809612.db2.gz SLLXKMAYUKHTSN-ZDUSSCGKSA-N 2 0 253.390 1.721 20 30 CDEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001027892843 816826809 /nfs/dbraw/zinc/82/68/09/816826809.db2.gz FBBLRPRCCYVWMO-SOUVJXGZSA-N 2 0 279.428 1.483 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1CCCO1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261693235 816828224 /nfs/dbraw/zinc/82/82/24/816828224.db2.gz FKAMDGLFVQROPE-AEGPPILISA-N 2 0 294.443 1.203 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001027443376 816895049 /nfs/dbraw/zinc/89/50/49/816895049.db2.gz LDBDKXYUKDIUQT-CVEARBPZSA-N 2 0 293.455 1.826 20 30 CDEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000303990147 817037697 /nfs/dbraw/zinc/03/76/97/817037697.db2.gz YJOXHJSTDHMZKQ-CHWSQXEVSA-N 2 0 254.422 1.763 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015998196 817076079 /nfs/dbraw/zinc/07/60/79/817076079.db2.gz MQZVBBYJBYSHRG-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(Cl)CN1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001028636045 817077048 /nfs/dbraw/zinc/07/70/48/817077048.db2.gz JJMOLOFWUUPJAI-KGLIPLIRSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001019558730 817156930 /nfs/dbraw/zinc/15/69/30/817156930.db2.gz JEONCUVFOZQRMV-AWEZNQCLSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001038339793 817162427 /nfs/dbraw/zinc/16/24/27/817162427.db2.gz JVXAYOVGVMKCPF-HZPDHXFCSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001022711475 817249770 /nfs/dbraw/zinc/24/97/70/817249770.db2.gz ZDPJYJIUJUELPH-UPJWGTAASA-N 2 0 285.819 1.460 20 30 CDEDRP N#CC1CCC(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925653625 817312104 /nfs/dbraw/zinc/31/21/04/817312104.db2.gz IKHAZNZCAWCQHT-SEEQJVSKSA-N 2 0 259.397 1.902 20 30 CDEDRP C#CCCCCCC[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000877061698 817317107 /nfs/dbraw/zinc/31/71/07/817317107.db2.gz QECGVRQHPANHBX-UHFFFAOYSA-N 2 0 252.402 1.616 20 30 CDEDRP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001024802849 817354910 /nfs/dbraw/zinc/35/49/10/817354910.db2.gz BFGMEESHPJUHDU-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001054240161 817375075 /nfs/dbraw/zinc/37/50/75/817375075.db2.gz NRMDSURWPUJILU-RDJZCZTQSA-N 2 0 291.439 1.439 20 30 CDEDRP N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000923381593 817556138 /nfs/dbraw/zinc/55/61/38/817556138.db2.gz JPYJCGUBCADPRF-NUEKZKHPSA-N 2 0 289.379 1.157 20 30 CDEDRP N#Cc1ccc([C@@H](O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000923357466 817709843 /nfs/dbraw/zinc/70/98/43/817709843.db2.gz OAWROQUUIQZSES-MSOLQXFVSA-N 2 0 299.418 1.913 20 30 CDEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NCC1CCC1 ZINC000304753113 817730407 /nfs/dbraw/zinc/73/04/07/817730407.db2.gz KYCFHUSBNKCJJV-CYBMUJFWSA-N 2 0 252.406 1.565 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001032206270 817755222 /nfs/dbraw/zinc/75/52/22/817755222.db2.gz WNFCLAQVVNFAFT-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001003974304 817817358 /nfs/dbraw/zinc/81/73/58/817817358.db2.gz IYXISXFBCUQYSJ-UHFFFAOYSA-N 2 0 291.439 1.629 20 30 CDEDRP C#CCCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001038446342 817849536 /nfs/dbraw/zinc/84/95/36/817849536.db2.gz ZKKRZHPOXHGJSR-HOTGVXAUSA-N 2 0 291.439 1.321 20 30 CDEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000304821774 817871341 /nfs/dbraw/zinc/87/13/41/817871341.db2.gz CKXSCSKQGXWJCM-ZIAGYGMSSA-N 2 0 284.448 1.390 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001026100127 817879072 /nfs/dbraw/zinc/87/90/72/817879072.db2.gz YPCBHAXJZPMQNJ-AALSBFMBSA-N 2 0 289.423 1.236 20 30 CDEDRP C#CC[C@H](CCOC)[NH2+][C@@H]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001574504628 1167638417 /nfs/dbraw/zinc/63/84/17/1167638417.db2.gz LHGPVKXWLBWACL-KLHDSHLOSA-N 2 0 264.413 1.925 20 30 CDEDRP C[N@@H+]1CCCN(CC[NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173329686 912428233 /nfs/dbraw/zinc/42/82/33/912428233.db2.gz LPELFXJHZCVRNW-UHFFFAOYSA-N 2 0 278.444 1.686 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127262738 913338734 /nfs/dbraw/zinc/33/87/34/913338734.db2.gz PVIZTUIYWNGPKY-KGLIPLIRSA-N 2 0 265.401 1.143 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106283173 913783941 /nfs/dbraw/zinc/78/39/41/913783941.db2.gz NWOPZJZBRGNQKH-KFWWJZLASA-N 2 0 281.444 1.443 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001020589731 894374291 /nfs/dbraw/zinc/37/42/91/894374291.db2.gz APYPPARTUZCILN-XEZPLFJOSA-N 2 0 295.402 1.069 20 30 CDEDRP CC[N@H+](CCNC(=[NH+]C)N1CC[C@]2(CCOC2)C1)C1CC1 ZINC000261957099 896127543 /nfs/dbraw/zinc/12/75/43/896127543.db2.gz JBRZWEGHSMLMEI-INIZCTEOSA-N 2 0 294.443 1.159 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001023125471 897389165 /nfs/dbraw/zinc/38/91/65/897389165.db2.gz RIXDFDLQKVBQAE-NMWPEEMBSA-N 2 0 279.428 1.672 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023378683 897541959 /nfs/dbraw/zinc/54/19/59/897541959.db2.gz CZNCNNLSNIWXNW-QLFBSQMISA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001104679621 898876623 /nfs/dbraw/zinc/87/66/23/898876623.db2.gz LOXGNIORKGSIRC-BZUAXINKSA-N 2 0 293.455 1.588 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001167733140 899533628 /nfs/dbraw/zinc/53/36/28/899533628.db2.gz VOHYYZCZRCRBOL-HNNXBMFYSA-N 2 0 291.439 1.228 20 30 CDEDRP C#Cc1cccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235999003 914526524 /nfs/dbraw/zinc/52/65/24/914526524.db2.gz UYFLPWTWROURGO-XYPWUTKMSA-N 2 0 256.349 1.073 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127480095 914746373 /nfs/dbraw/zinc/74/63/73/914746373.db2.gz IMTHMMQEDRFDCU-DZGCQCFKSA-N 2 0 279.428 1.389 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001106897870 914815649 /nfs/dbraw/zinc/81/56/49/914815649.db2.gz OBNISOUVUZKOAQ-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C[C@H](CNC(=[NH2+])NCC1CCC1)[N@@H+]1CCCC[C@@H]1C ZINC000261964236 904621588 /nfs/dbraw/zinc/62/15/88/904621588.db2.gz AOUTZNQXBHBODM-QWHCGFSZSA-N 2 0 266.433 1.954 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168021111 905789002 /nfs/dbraw/zinc/78/90/02/905789002.db2.gz AADTUXNTXPSLKK-ZIAGYGMSSA-N 2 0 265.401 1.285 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088171725 906423350 /nfs/dbraw/zinc/42/33/50/906423350.db2.gz DOUPNNZETAYDRT-CABCVRRESA-N 2 0 289.423 1.049 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001205415897 921238218 /nfs/dbraw/zinc/23/82/18/921238218.db2.gz PYKALJFNOIAQKK-HNNXBMFYSA-N 2 0 297.418 1.128 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188956484 921240750 /nfs/dbraw/zinc/24/07/50/921240750.db2.gz LRJDKNCRVQOZPA-UONOGXRCSA-N 2 0 265.401 1.047 20 30 CDEDRP C[NH+]=C(NC[C@H]1CCC[N@@H+](C(C)C)C1)NC1CC1 ZINC000303412861 906653550 /nfs/dbraw/zinc/65/35/50/906653550.db2.gz YHHMLDORSXLOEC-GFCCVEGCSA-N 2 0 252.406 1.434 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001088278095 906780847 /nfs/dbraw/zinc/78/08/47/906780847.db2.gz OPVNGGANQCUPPS-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001088413463 907128232 /nfs/dbraw/zinc/12/82/32/907128232.db2.gz GSSIMBMBCOYSLE-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001092620585 909477024 /nfs/dbraw/zinc/47/70/24/909477024.db2.gz PQAYOHXQXNHLRD-KLHDSHLOSA-N 2 0 293.455 1.587 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC001088860635 911991559 /nfs/dbraw/zinc/99/15/59/911991559.db2.gz UVNFPDQAHXBRDV-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+]1CCCCC1 ZINC000691601323 915684719 /nfs/dbraw/zinc/68/47/19/915684719.db2.gz LILFJDAKQWSGAJ-KBPBESRZSA-N 2 0 280.416 1.388 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001179861025 916047416 /nfs/dbraw/zinc/04/74/16/916047416.db2.gz IEZPKLLFNVROCU-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001180072009 916140778 /nfs/dbraw/zinc/14/07/78/916140778.db2.gz HZYBBZGFHOKOJU-UHFFFAOYSA-N 2 0 291.439 1.372 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180131593 916148967 /nfs/dbraw/zinc/14/89/67/916148967.db2.gz HQKHOKOQVMMRPI-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180138537 916151861 /nfs/dbraw/zinc/15/18/61/916151861.db2.gz HUDNYDBOCJKMCM-KKUMJFAQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001181653066 917246164 /nfs/dbraw/zinc/24/61/64/917246164.db2.gz VBRPNTDMNOKBMC-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182624140 917987097 /nfs/dbraw/zinc/98/70/97/917987097.db2.gz ZVOOZQYJWXRKQF-CABCVRRESA-N 2 0 277.412 1.095 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001182614814 918021200 /nfs/dbraw/zinc/02/12/00/918021200.db2.gz SAIWEKVMWBPMGG-ZMSDIMECSA-N 2 0 293.455 1.588 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001182964117 918223634 /nfs/dbraw/zinc/22/36/34/918223634.db2.gz ICMUDLUKEOUJFU-CABCVRRESA-N 2 0 299.434 1.823 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N[C@@]1(C)CCC[N@@H+](C)C1 ZINC001183091958 918284581 /nfs/dbraw/zinc/28/45/81/918284581.db2.gz RJASBGDLCBKSAM-HNNXBMFYSA-N 2 0 265.401 1.239 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000996766011 918418022 /nfs/dbraw/zinc/41/80/22/918418022.db2.gz XFVGKCSIPHOCLI-INIZCTEOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001000592841 936535722 /nfs/dbraw/zinc/53/57/22/936535722.db2.gz FJBPPGIHVDOKRU-INIZCTEOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185248641 919497643 /nfs/dbraw/zinc/49/76/43/919497643.db2.gz JHIXODUDZPSANT-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185650843 919691265 /nfs/dbraw/zinc/69/12/65/919691265.db2.gz PASKUBDMHOFKLE-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001186355851 919991414 /nfs/dbraw/zinc/99/14/14/919991414.db2.gz PPHNFJHFQPSDLV-QGZVFWFLSA-N 2 0 299.418 1.576 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001186554346 920072255 /nfs/dbraw/zinc/07/22/55/920072255.db2.gz BVJBFBZBAGDZCR-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCOCc1nn([C@H]2CCC[N@@H+](C)C2)c2c1C[NH2+]C2 ZINC001255490845 936685994 /nfs/dbraw/zinc/68/59/94/936685994.db2.gz VAXDBHDZHKMBJY-LBPRGKRZSA-N 2 0 276.384 1.456 20 30 CDEDRP C=CC[NH+]1CCC(C2(NC(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC001486488887 921062571 /nfs/dbraw/zinc/06/25/71/921062571.db2.gz ROJYDESLFDJUIE-OAHLLOKOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001033687201 922314834 /nfs/dbraw/zinc/31/48/34/922314834.db2.gz ZQZXSFRUZNMYRY-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001191019535 922356866 /nfs/dbraw/zinc/35/68/66/922356866.db2.gz MQIHVFMDFKNEOQ-CYBMUJFWSA-N 2 0 267.417 1.435 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC001035794557 923049668 /nfs/dbraw/zinc/04/96/68/923049668.db2.gz FVUAUTNSADFIIA-LSDHHAIUSA-N 2 0 291.439 1.295 20 30 CDEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192398980 923074655 /nfs/dbraw/zinc/07/46/55/923074655.db2.gz UAUMZVMOGAUYRT-CABCVRRESA-N 2 0 281.444 1.826 20 30 CDEDRP C#CCC[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001193609800 923801499 /nfs/dbraw/zinc/80/14/99/923801499.db2.gz JHGGQNHFDKIQIY-HNNXBMFYSA-N 2 0 279.428 1.274 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000838622729 936884524 /nfs/dbraw/zinc/88/45/24/936884524.db2.gz KDWCJNGVFVBLLD-HNNXBMFYSA-N 2 0 294.443 1.114 20 30 CDEDRP C=C(Cl)CN(C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194283481 924157922 /nfs/dbraw/zinc/15/79/22/924157922.db2.gz CAOJYTKUYKINRA-ZDUSSCGKSA-N 2 0 287.835 1.612 20 30 CDEDRP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194295472 924166619 /nfs/dbraw/zinc/16/66/19/924166619.db2.gz QBABRQORFFGSGY-OAHLLOKOSA-N 2 0 297.443 1.062 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194419673 924213020 /nfs/dbraw/zinc/21/30/20/924213020.db2.gz JYWVDXXMVQWREW-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079724073 924414380 /nfs/dbraw/zinc/41/43/80/924414380.db2.gz YVOXSYSWGHWLQF-KBUPBQIOSA-N 2 0 279.428 1.339 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001080383680 924546764 /nfs/dbraw/zinc/54/67/64/924546764.db2.gz QSMYFYVUHWPVAZ-UKRRQHHQSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100870689 936941964 /nfs/dbraw/zinc/94/19/64/936941964.db2.gz LNCJQJZKXHKMQX-UHFFFAOYSA-N 2 0 297.443 1.015 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152245880 924794682 /nfs/dbraw/zinc/79/46/82/924794682.db2.gz NYDDMSHHYBGRPZ-UHFFFAOYSA-N 2 0 273.380 1.091 20 30 CDEDRP C=CCC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370203 937054392 /nfs/dbraw/zinc/05/43/92/937054392.db2.gz UKFDOBKTHSPDBB-BZUAXINKSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085597832 926199746 /nfs/dbraw/zinc/19/97/46/926199746.db2.gz GYKIGEWKLDXZBQ-CVEARBPZSA-N 2 0 291.439 1.437 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1(C#N)CC1 ZINC001143176916 937129561 /nfs/dbraw/zinc/12/95/61/937129561.db2.gz RMJIVFDMWQCVCQ-UHFFFAOYSA-N 2 0 280.416 1.022 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001086365181 927037923 /nfs/dbraw/zinc/03/79/23/927037923.db2.gz HTRLLJNLIPMSHJ-KLHDSHLOSA-N 2 0 291.439 1.531 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001086400193 927076922 /nfs/dbraw/zinc/07/69/22/927076922.db2.gz YNYRSXXUJMWXBB-YHUYYLMFSA-N 2 0 289.423 1.121 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001086478741 927185723 /nfs/dbraw/zinc/18/57/23/927185723.db2.gz YPWWUTNRFFEKMT-PYJNHQTQSA-N 2 0 299.846 1.421 20 30 CDEDRP CCC[NH+](CCC)CCCC(=O)NCC#CC[NH+](C)C ZINC001151241713 937276865 /nfs/dbraw/zinc/27/68/65/937276865.db2.gz GCSVXSPSJVMTEO-UHFFFAOYSA-N 2 0 281.444 1.570 20 30 CDEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109408622 928925888 /nfs/dbraw/zinc/92/58/88/928925888.db2.gz SUWVFDZJAJVJOF-PMPSAXMXSA-N 2 0 291.439 1.768 20 30 CDEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC001112578942 929199493 /nfs/dbraw/zinc/19/94/93/929199493.db2.gz OSFDAUSYAMRWNC-RDJZCZTQSA-N 2 0 291.439 1.487 20 30 CDEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115143849 937328536 /nfs/dbraw/zinc/32/85/36/937328536.db2.gz MGVUHVJIHBIFQD-QLPKVWCKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(Cl)CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217039899 929740797 /nfs/dbraw/zinc/74/07/97/929740797.db2.gz LWQUJDYFCSIHLS-STQMWFEESA-N 2 0 285.819 1.319 20 30 CDEDRP C=CCOCC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152480058 937365566 /nfs/dbraw/zinc/36/55/66/937365566.db2.gz LWISOFZFMDDSIM-HNNXBMFYSA-N 2 0 297.443 1.015 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135336582 930163015 /nfs/dbraw/zinc/16/30/15/930163015.db2.gz CSFUFTQSXIIOPK-UHFFFAOYSA-N 2 0 275.396 1.644 20 30 CDEDRP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135371013 930173122 /nfs/dbraw/zinc/17/31/22/930173122.db2.gz CMJJIQWVKVTFOK-ZIAGYGMSSA-N 2 0 285.432 1.014 20 30 CDEDRP C=C(C)C[C@@H](CO)[NH2+]Cc1ncc(CN(C)C)s1 ZINC000883400424 930193630 /nfs/dbraw/zinc/19/36/30/930193630.db2.gz MEBDSWISXOQILJ-NSHDSACASA-N 2 0 269.414 1.621 20 30 CDEDRP C[C@H]([NH3+])c1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1 ZINC000884037515 930403473 /nfs/dbraw/zinc/40/34/73/930403473.db2.gz BVQAMVDHFLXKBL-MZYOMISDSA-N 2 0 298.390 1.784 20 30 CDEDRP N#Cc1cc(Cl)nc(C(F)(F)N[C@H]([NH3+])CCC[NH3+])c1 ZINC001159784678 930848060 /nfs/dbraw/zinc/84/80/60/930848060.db2.gz KSLKPJNXMQIENM-JTQLQIEISA-N 2 0 289.717 1.269 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153824838 937474653 /nfs/dbraw/zinc/47/46/53/937474653.db2.gz YZCBZQCMOKNOCZ-CYBMUJFWSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CC1CC1 ZINC001116928005 937481201 /nfs/dbraw/zinc/48/12/01/937481201.db2.gz HKHAZKCIOYQUBA-UHFFFAOYSA-N 2 0 277.456 1.748 20 30 CDEDRP C=CCCCC[NH+]1CC2(CCN2CC[NH+](C)C)C1 ZINC001274974011 931621958 /nfs/dbraw/zinc/62/19/58/931621958.db2.gz BMNAGWMYAXDXJM-UHFFFAOYSA-N 2 0 251.418 1.664 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001091037737 931745561 /nfs/dbraw/zinc/74/55/61/931745561.db2.gz XWNNHWUXPQFANI-XSCHDIRWSA-N 2 0 279.428 1.387 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171228832 932049575 /nfs/dbraw/zinc/04/95/75/932049575.db2.gz VEZMXVCNPMFHGO-CYBMUJFWSA-N 2 0 253.390 1.000 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146384852 932248454 /nfs/dbraw/zinc/24/84/54/932248454.db2.gz UDSJHLVKZKTUQM-UHFFFAOYSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC=C)CC1 ZINC001146571080 932267180 /nfs/dbraw/zinc/26/71/80/932267180.db2.gz KRFQXRRNNFEYFL-LSDHHAIUSA-N 2 0 291.439 1.391 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146599335 932270838 /nfs/dbraw/zinc/27/08/38/932270838.db2.gz AXGYEFZCRAVINM-KBPBESRZSA-N 2 0 267.417 1.223 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146613408 932272209 /nfs/dbraw/zinc/27/22/09/932272209.db2.gz SWVDYFZTQLRTSM-JKSUJKDBSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CC[NH2+]CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001147449081 932518409 /nfs/dbraw/zinc/51/84/09/932518409.db2.gz HZSXQMSIVIGFIZ-HNNXBMFYSA-N 2 0 275.396 1.571 20 30 CDEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174204 932661425 /nfs/dbraw/zinc/66/14/25/932661425.db2.gz CZZBYEJMNLLNIJ-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001148647501 932759270 /nfs/dbraw/zinc/75/92/70/932759270.db2.gz ZRUBVASMRRSQGA-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP C=CCCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001148652131 932761383 /nfs/dbraw/zinc/76/13/83/932761383.db2.gz VVASEUXPBJOUSS-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111297667 934521577 /nfs/dbraw/zinc/52/15/77/934521577.db2.gz OIFSEVVWDMFENK-OAGGEKHMSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)C[N@@H+](C)CCC)CCCCC1 ZINC001120045955 937776485 /nfs/dbraw/zinc/77/64/85/937776485.db2.gz KAMWYVIZIIWIDJ-UHFFFAOYSA-N 2 0 281.444 1.923 20 30 CDEDRP CC#CC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001120147897 937783253 /nfs/dbraw/zinc/78/32/53/937783253.db2.gz UYZZFURBZMPMNI-UHFFFAOYSA-N 2 0 291.439 1.514 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001009634971 935429081 /nfs/dbraw/zinc/42/90/81/935429081.db2.gz KHMHGGFWHIWPSW-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001015704624 935580774 /nfs/dbraw/zinc/58/07/74/935580774.db2.gz BHADHHCLRMROIO-ZDUSSCGKSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001016544035 935618127 /nfs/dbraw/zinc/61/81/27/935618127.db2.gz SHMYBOVDSSVNHJ-CABCVRRESA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001097550280 936309964 /nfs/dbraw/zinc/30/99/64/936309964.db2.gz RSDVOLUTSREIIK-BMFZPTHFSA-N 2 0 296.374 1.855 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)CCC)C2)C1 ZINC001122107034 937906060 /nfs/dbraw/zinc/90/60/60/937906060.db2.gz XHGYZKIAIFRQCK-UHFFFAOYSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001122128046 937907216 /nfs/dbraw/zinc/90/72/16/937907216.db2.gz ZOHYASRUCGQJMV-YDHLFZDLSA-N 2 0 265.401 1.257 20 30 CDEDRP N#Cc1cnc2cc[nH]c(NC(=[NH2+])SCC[NH3+])c1-2 ZINC001157130944 938458255 /nfs/dbraw/zinc/45/82/55/938458255.db2.gz RRRGYUHJPFVKNM-UHFFFAOYSA-N 2 0 260.326 1.473 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001160889338 938838123 /nfs/dbraw/zinc/83/81/23/938838123.db2.gz IYKDMHHONHBEDA-CYBMUJFWSA-N 2 0 255.406 1.389 20 30 CDEDRP C#CCC[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161106773 938871689 /nfs/dbraw/zinc/87/16/89/938871689.db2.gz KTNIGZMKZONWLN-UHFFFAOYSA-N 2 0 277.412 1.100 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001161529794 938908830 /nfs/dbraw/zinc/90/88/30/938908830.db2.gz HUEZHIYKSQXSCK-AGIUHOORSA-N 2 0 253.390 1.398 20 30 CDEDRP Cc1cnc(NCCC[NH2+]CCCC[NH3+])c(/C=N/O)c1 ZINC001162291452 938972386 /nfs/dbraw/zinc/97/23/86/938972386.db2.gz FICDAWFMDLUHGX-YBFXNURJSA-N 2 0 279.388 1.329 20 30 CDEDRP C[C@H]1CC[C@H](C[NH3+])CN1c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001164456875 939474830 /nfs/dbraw/zinc/47/48/30/939474830.db2.gz UNDRUOQKNURXFQ-QWHCGFSZSA-N 2 0 299.422 1.553 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203698828 939701045 /nfs/dbraw/zinc/70/10/45/939701045.db2.gz BSBPKDXZKBINBJ-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001206793800 940092003 /nfs/dbraw/zinc/09/20/03/940092003.db2.gz BLBQOZWKBNORHH-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207551013 940214769 /nfs/dbraw/zinc/21/47/69/940214769.db2.gz QHGPIMMWSAWFMH-YUELXQCFSA-N 2 0 279.428 1.339 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563148 940216212 /nfs/dbraw/zinc/21/62/12/940216212.db2.gz HECLVVDXWLRTDP-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001208073958 940283452 /nfs/dbraw/zinc/28/34/52/940283452.db2.gz QWXANEAQAUEKON-OWCLPIDISA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001209632977 940620344 /nfs/dbraw/zinc/62/03/44/940620344.db2.gz QNAPSSDQAZAOOC-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210782735 940712064 /nfs/dbraw/zinc/71/20/64/940712064.db2.gz ORJWNLBEGICRGR-ZDUSSCGKSA-N 2 0 253.390 1.095 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001214668269 940835841 /nfs/dbraw/zinc/83/58/41/940835841.db2.gz ZSIDAUGXYSEAAZ-QKPAOTATSA-N 2 0 291.439 1.177 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214889392 940843914 /nfs/dbraw/zinc/84/39/14/940843914.db2.gz KSNUKTSNKOKSIK-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP CN(C[C@H](O)c1ccc(C#N)cc1)C1CC[NH2+]CC1 ZINC000402158804 940889854 /nfs/dbraw/zinc/88/98/54/940889854.db2.gz PCRYSHZRKJHOET-HNNXBMFYSA-N 2 0 259.353 1.275 20 30 CDEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC001220047314 941408576 /nfs/dbraw/zinc/40/85/76/941408576.db2.gz ZURPPBRRNWYLAV-WFASDCNBSA-N 2 0 288.395 1.452 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC001220868171 941479075 /nfs/dbraw/zinc/47/90/75/941479075.db2.gz DKFYTHJXKWUYPD-MELADBBJSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018078 941557831 /nfs/dbraw/zinc/55/78/31/941557831.db2.gz LOZRNQKBEFIQDB-HZPDHXFCSA-N 2 0 291.439 1.581 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)cc1F ZINC001222539345 941610524 /nfs/dbraw/zinc/61/05/24/941610524.db2.gz XWRNZNBGEVZHIT-UHFFFAOYSA-N 2 0 265.307 1.960 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001223506353 941682474 /nfs/dbraw/zinc/68/24/74/941682474.db2.gz BTOXMGRCGQLKQP-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C[N@@H+]1CCCC[C@H]1CO[C@H](CC#N)C[N+](C)(C)C ZINC001224703184 941784404 /nfs/dbraw/zinc/78/44/04/941784404.db2.gz QYQMGJWKGINNRK-UONOGXRCSA-N 2 0 254.398 1.476 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001225167909 941827805 /nfs/dbraw/zinc/82/78/05/941827805.db2.gz FPEYNMFDAKFJIW-OAHLLOKOSA-N 2 0 279.428 1.342 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001225346303 941847330 /nfs/dbraw/zinc/84/73/30/941847330.db2.gz MCHMSJUOJAKRRK-RBSFLKMASA-N 2 0 279.428 1.674 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001227877722 942240333 /nfs/dbraw/zinc/24/03/33/942240333.db2.gz XDPSDVLOQQYYKI-HNNXBMFYSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001316620226 942712324 /nfs/dbraw/zinc/71/23/24/942712324.db2.gz HAIZEXZISGNWSM-HZSPNIEDSA-N 2 0 267.417 1.243 20 30 CDEDRP C=CCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)NC1CC[NH+](C)CC1 ZINC001277779863 943511331 /nfs/dbraw/zinc/51/13/31/943511331.db2.gz URSYAXINWNFOFZ-PBHICJAKSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC001263103387 943745365 /nfs/dbraw/zinc/74/53/65/943745365.db2.gz XPWSCPDYGRFFQW-UBHSHLNASA-N 2 0 265.401 1.269 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001235513375 944181897 /nfs/dbraw/zinc/18/18/97/944181897.db2.gz OMCBHMMWIQVFAL-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001235510710 944182839 /nfs/dbraw/zinc/18/28/39/944182839.db2.gz COJFAHBEWSJUOM-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP C[C@@H](C[NH2+]CCC(=O)Nc1cccc(C#N)c1)C[NH+](C)C ZINC001262565837 946715474 /nfs/dbraw/zinc/71/54/74/946715474.db2.gz XFMCZQKAXBGAHU-ZDUSSCGKSA-N 2 0 288.395 1.674 20 30 CDEDRP C#CCCCCCc1cn(CCCC[NH2+]CCC[NH3+])nn1 ZINC001254164307 947316541 /nfs/dbraw/zinc/31/65/41/947316541.db2.gz KBQUYYZMMQNCQW-UHFFFAOYSA-N 2 0 291.443 1.733 20 30 CDEDRP C[NH+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254649705 947573029 /nfs/dbraw/zinc/57/30/29/947573029.db2.gz VMWPWHRADJUDGW-KBUPBQIOSA-N 2 0 292.427 1.257 20 30 CDEDRP [NH2+]=C(N[C@@H]1CCNC2(C[NH2+]C2)C1)c1ccc2ccccc2n1 ZINC001246308537 948097318 /nfs/dbraw/zinc/09/73/18/948097318.db2.gz RGUJSLWPZQDXFY-CYBMUJFWSA-N 2 0 295.390 1.034 20 30 CDEDRP C=CCOCc1nn([C@@H]2CC[NH2+][C@H](C)C2)c2c1C[NH2+]C2 ZINC001246704029 948411391 /nfs/dbraw/zinc/41/13/91/948411391.db2.gz UBMIOPSUFVCFHD-VXGBXAGGSA-N 2 0 276.384 1.502 20 30 CDEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246766722 948430718 /nfs/dbraw/zinc/43/07/18/948430718.db2.gz LBRAIURGEJHGAO-LTIDMASMSA-N 2 0 294.439 1.953 20 30 CDEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246766744 948430753 /nfs/dbraw/zinc/43/07/53/948430753.db2.gz LBRAIURGEJHGAO-WCXIOVBPSA-N 2 0 294.439 1.953 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC001252494540 951367353 /nfs/dbraw/zinc/36/73/53/951367353.db2.gz YYYMKRVMMBPTFT-OAHLLOKOSA-N 2 0 270.417 1.260 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]C1CC[NH+](CC(C)(C)C)CC1 ZINC001252496163 951369979 /nfs/dbraw/zinc/36/99/79/951369979.db2.gz YMNKUATTWNPSMX-OAHLLOKOSA-N 2 0 284.444 1.650 20 30 CDEDRP C=C[C@](C)(O)C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001252555063 951445956 /nfs/dbraw/zinc/44/59/56/951445956.db2.gz OLDOJRMTUTZCBM-KURKYZTESA-N 2 0 286.419 1.987 20 30 CDEDRP C=C(Cl)CN(CC)CCNC(=O)Cn1ccnc1C ZINC001493058645 971934109 /nfs/dbraw/zinc/93/41/09/971934109.db2.gz NNRROTJXTCXIOC-UHFFFAOYSA-N 2 0 284.791 1.382 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCC1([NH3+])CC1)C(C)C ZINC001335382873 959759829 /nfs/dbraw/zinc/75/98/29/959759829.db2.gz BMXXTDYEPBAYOJ-AWEZNQCLSA-N 2 0 294.443 1.476 20 30 CDEDRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC001335395504 959769485 /nfs/dbraw/zinc/76/94/85/959769485.db2.gz VGRRRYMUIOBEPO-STQMWFEESA-N 2 0 253.390 1.219 20 30 CDEDRP C[N@@H+]1CCCN(CCC[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC001336750124 960543752 /nfs/dbraw/zinc/54/37/52/960543752.db2.gz MZAHTSSAZJEHBM-OAHLLOKOSA-N 2 0 277.416 1.047 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001340061065 962719831 /nfs/dbraw/zinc/71/98/31/962719831.db2.gz HCKTWZFTUDNYSY-AAEUAGOBSA-N 2 0 251.374 1.023 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CCC23CCC3)CC1 ZINC001340218083 962822917 /nfs/dbraw/zinc/82/29/17/962822917.db2.gz KCXULMGMYVKBPP-OAHLLOKOSA-N 2 0 291.439 1.533 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC001341453090 963422303 /nfs/dbraw/zinc/42/23/03/963422303.db2.gz VXSAOFSGSFWDPO-CHWSQXEVSA-N 2 0 253.390 1.126 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1[C@H](C)C[NH2+][C@@H](C)[C@H]1C ZINC001341764855 963533191 /nfs/dbraw/zinc/53/31/91/963533191.db2.gz KSDXHIWVKLXGGV-XQHKEYJVSA-N 2 0 253.390 1.267 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001341942777 963586292 /nfs/dbraw/zinc/58/62/92/963586292.db2.gz IRYDGDKRAFKFQP-UONOGXRCSA-N 2 0 285.432 1.169 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001343085100 963904153 /nfs/dbraw/zinc/90/41/53/963904153.db2.gz KRMJZFKVKMUXRD-STQMWFEESA-N 2 0 253.390 1.318 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001377008769 974851010 /nfs/dbraw/zinc/85/10/10/974851010.db2.gz CUFIFKKWISDADE-VXGBXAGGSA-N 2 0 273.808 1.318 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001380156988 976271185 /nfs/dbraw/zinc/27/11/85/976271185.db2.gz OHJHNOURQQVFQL-UHFFFAOYSA-N 2 0 299.846 1.802 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001391940819 977156688 /nfs/dbraw/zinc/15/66/88/977156688.db2.gz VUASKWQXJXSKHH-NEPJUHHUSA-N 2 0 287.835 1.423 20 30 CDEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001086700690 1163572788 /nfs/dbraw/zinc/57/27/88/1163572788.db2.gz GMXFAWAQNWLICT-XUWVNRHRSA-N 2 0 291.439 1.224 20 30 CDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001574851583 1171023230 /nfs/dbraw/zinc/02/32/30/1171023230.db2.gz HWHISEHIMXLCNK-HBNTYKKESA-N 2 0 273.808 1.301 20 30 CDEDRP C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CCC[NH2+]1 ZINC000591570744 342637215 /nfs/dbraw/zinc/63/72/15/342637215.db2.gz HVQANTMPDLYBFG-CJNGLKHVSA-N 2 0 299.422 1.652 20 30 CDEDRP CNC(=[NH2+])NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000076105967 342318624 /nfs/dbraw/zinc/31/86/24/342318624.db2.gz JBBLXLOHUQVBIS-OAHLLOKOSA-N 2 0 274.412 1.994 20 30 CDEDRP C[C@@H](CCC#N)C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000602512483 344459390 /nfs/dbraw/zinc/45/93/90/344459390.db2.gz UJPDVVQBBGVHIE-HNNXBMFYSA-N 2 0 266.433 1.543 20 30 CDEDRP N#C[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000447561952 362457687 /nfs/dbraw/zinc/45/76/87/362457687.db2.gz JZJIXAZETRVMJO-ILXRZTDVSA-N 2 0 292.427 1.246 20 30 CDEDRP N#Cc1cccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000584842654 346454470 /nfs/dbraw/zinc/45/44/70/346454470.db2.gz BPPZPBCDHFGQNH-MRXNPFEDSA-N 2 0 296.378 1.446 20 30 CDEDRP C[NH+](C)C(C)(C)CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083029901 347111780 /nfs/dbraw/zinc/11/17/80/347111780.db2.gz UCTWFVWJOFHIQB-CYBMUJFWSA-N 2 0 290.411 1.755 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cccc(F)c1 ZINC000264122972 362973186 /nfs/dbraw/zinc/97/31/86/362973186.db2.gz RKMCVGRQWVPCGP-HNNXBMFYSA-N 2 0 292.402 1.757 20 30 CDEDRP CC[NH+](CC)CCOc1ccccc1CNC(=[NH2+])N(C)C ZINC000170912504 365162531 /nfs/dbraw/zinc/16/25/31/365162531.db2.gz RTRHCJWKOZXYET-UHFFFAOYSA-N 2 0 292.427 1.784 20 30 CDEDRP CN(C)C(=[NH2+])NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000170912089 365163020 /nfs/dbraw/zinc/16/30/20/365163020.db2.gz RJWRCVXKCBXXLX-OAHLLOKOSA-N 2 0 274.412 1.427 20 30 CDEDRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)C[C@H](C)C#N ZINC000191467666 373495813 /nfs/dbraw/zinc/49/58/13/373495813.db2.gz JTRYZYNDJKVTDR-MRXNPFEDSA-N 2 0 280.460 1.884 20 30 CDEDRP C=CCNC(=O)[C@H](C)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246509854 376928614 /nfs/dbraw/zinc/92/86/14/376928614.db2.gz IEQPLBRPJWFKFI-DZKIICNBSA-N 2 0 291.439 1.626 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2C[NH2+]C)CC1 ZINC000417524237 377846425 /nfs/dbraw/zinc/84/64/25/377846425.db2.gz JSBWUBICWBHEDR-AWEZNQCLSA-N 2 0 280.416 1.030 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]([NH2+]C)C2)CC1 ZINC000417543433 377929815 /nfs/dbraw/zinc/92/98/15/377929815.db2.gz UQCYMVWNHDVIJZ-AWEZNQCLSA-N 2 0 280.416 1.030 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000417543966 377931499 /nfs/dbraw/zinc/93/14/99/377931499.db2.gz VLYDEGHDYISJSP-HIFRSBDPSA-N 2 0 294.443 1.454 20 30 CDEDRP C#Cc1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000290456650 378395794 /nfs/dbraw/zinc/39/57/94/378395794.db2.gz TWKUBRSQXVTSQS-UHFFFAOYSA-N 2 0 258.365 1.214 20 30 CDEDRP COCC[N@H+](C)CCCNCc1ccc(C#N)o1 ZINC000174266869 379425414 /nfs/dbraw/zinc/42/54/14/379425414.db2.gz MMGCLXCTAXNWKE-UHFFFAOYSA-N 2 0 251.330 1.209 20 30 CDEDRP C=C(C)COCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000647909449 391255750 /nfs/dbraw/zinc/25/57/50/391255750.db2.gz PATKJALGEQDRBS-UHFFFAOYSA-N 2 0 270.417 1.404 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N(C)Cc1ccon1 ZINC000261743852 391689723 /nfs/dbraw/zinc/68/97/23/391689723.db2.gz KYIPMJGQIQJMIR-ZDUSSCGKSA-N 2 0 279.388 1.166 20 30 CDEDRP C[NH+]=C(NCc1cccn1C)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261966499 391743773 /nfs/dbraw/zinc/74/37/73/391743773.db2.gz LOLDSJXSLNCQOO-ZFWWWQNUSA-N 2 0 291.443 1.419 20 30 CDEDRP C=CCc1cc(C[NH2+][C@H](C)CC[NH3+])cc(OC)c1O ZINC000414881968 263097602 /nfs/dbraw/zinc/09/76/02/263097602.db2.gz LLWOQGWUTPVSOP-LLVKDONJSA-N 2 0 264.369 1.956 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ncccc1C ZINC000267395168 328177846 /nfs/dbraw/zinc/17/78/46/328177846.db2.gz DWDZDRFZZVFWAG-ZDUSSCGKSA-N 2 0 275.400 1.279 20 30 CDEDRP COCC1(C[NH2+]Cc2cccc(C#N)c2)CC[NH2+]CC1 ZINC000583997951 325283531 /nfs/dbraw/zinc/28/35/31/325283531.db2.gz ZXYPMQUEOIBDGK-UHFFFAOYSA-N 2 0 273.380 1.664 20 30 CDEDRP C=CC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000159333560 327174218 /nfs/dbraw/zinc/17/42/18/327174218.db2.gz UJECBNSREGYIEL-UHFFFAOYSA-N 2 0 293.455 1.877 20 30 CDEDRP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424136375 330272399 /nfs/dbraw/zinc/27/23/99/330272399.db2.gz AMOYCFVMMIHODP-HZSPNIEDSA-N 2 0 278.400 1.093 20 30 CDEDRP C=CCn1cccc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000579187557 335719282 /nfs/dbraw/zinc/71/92/82/335719282.db2.gz XOSLOXIXCAXKIY-UHFFFAOYSA-N 2 0 292.427 1.240 20 30 CDEDRP C#CCN(C)CCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000380838834 336036235 /nfs/dbraw/zinc/03/62/35/336036235.db2.gz NIXUWUMEVBLCGZ-RBSFLKMASA-N 2 0 264.413 1.735 20 30 CDEDRP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)n1cnc(C)c1 ZINC001755239501 1159810938 /nfs/dbraw/zinc/81/09/38/1159810938.db2.gz CPMXZFXOORGKNT-KGLIPLIRSA-N 2 0 290.411 1.433 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001753118401 1185070005 /nfs/dbraw/zinc/07/00/05/1185070005.db2.gz HOSOAYXFMTVECX-AWEZNQCLSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CC[N@H+](CCC)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001753144993 1185084083 /nfs/dbraw/zinc/08/40/83/1185084083.db2.gz QGFNTEIAQSTYDJ-HNNXBMFYSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001113270261 1162142877 /nfs/dbraw/zinc/14/28/77/1162142877.db2.gz IHYOHVSLZSUEHP-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCOCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000354859477 526689008 /nfs/dbraw/zinc/68/90/08/526689008.db2.gz ZGOXOSGEFVEDHR-HNNXBMFYSA-N 2 0 297.443 1.064 20 30 CDEDRP CN(C)c1ccc(C=[NH+]N2CCN(C)CC2)cc1F ZINC000727650785 574593301 /nfs/dbraw/zinc/59/33/01/574593301.db2.gz UGXLFYZNWOPZLS-UHFFFAOYSA-N 2 0 264.348 1.473 20 30 CDEDRP C#CCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000981459507 613004742 /nfs/dbraw/zinc/00/47/42/613004742.db2.gz VOJMHAIWTCPIPX-OAHLLOKOSA-N 2 0 277.412 1.028 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980391313 613285369 /nfs/dbraw/zinc/28/53/69/613285369.db2.gz PKWCKFVSTTUEIW-UONOGXRCSA-N 2 0 265.401 1.047 20 30 CDEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000982018645 613305534 /nfs/dbraw/zinc/30/55/34/613305534.db2.gz HJGGNSBQFVXRIO-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975048470 613341599 /nfs/dbraw/zinc/34/15/99/613341599.db2.gz IFHVFAAQQSIQKP-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981526990 613384188 /nfs/dbraw/zinc/38/41/88/613384188.db2.gz CLJCGZOSJVKVRJ-KGLIPLIRSA-N 2 0 299.846 1.852 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000981957922 613493276 /nfs/dbraw/zinc/49/32/76/613493276.db2.gz ZVYTWPWHKJLVJN-OAHLLOKOSA-N 2 0 279.428 1.439 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000981283428 613495868 /nfs/dbraw/zinc/49/58/68/613495868.db2.gz WASFDRHSQJNOHR-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000960002688 613565179 /nfs/dbraw/zinc/56/51/79/613565179.db2.gz NXZILLBPUIZLTN-AALSBFMBSA-N 2 0 291.439 1.339 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000971567659 613618187 /nfs/dbraw/zinc/61/81/87/613618187.db2.gz UCVQSXHAZPHNPZ-QLFBSQMISA-N 2 0 279.428 1.435 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000972335085 613627933 /nfs/dbraw/zinc/62/79/33/613627933.db2.gz MTOOOIRTVMDXCH-KBPBESRZSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000971678499 613633144 /nfs/dbraw/zinc/63/31/44/613633144.db2.gz NAIJJWBPYIGSKO-KBPBESRZSA-N 2 0 265.401 1.045 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000948241169 613704495 /nfs/dbraw/zinc/70/44/95/613704495.db2.gz KSPFLEGJIVBXKK-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000964854533 613857854 /nfs/dbraw/zinc/85/78/54/613857854.db2.gz SIHMYJXMWTYXKF-UHFFFAOYSA-N 2 0 291.439 1.531 20 30 CDEDRP C[NH+]1CCN(C(C)(C)C[NH2+]CC#Cc2ccccc2)CC1 ZINC000892536129 617485149 /nfs/dbraw/zinc/48/51/49/617485149.db2.gz WQXITPAHGRCYAH-UHFFFAOYSA-N 2 0 285.435 1.654 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000911755012 629473635 /nfs/dbraw/zinc/47/36/35/629473635.db2.gz XBPGTIXKGZPYKP-YPMHNXCESA-N 2 0 253.390 1.256 20 30 CDEDRP CC[N@H+](C)[C@@H](C(=O)NCC#CC[NH+](C)C)c1ccccc1 ZINC000913518457 630523257 /nfs/dbraw/zinc/52/32/57/630523257.db2.gz QEAKNMSXYUZDIN-MRXNPFEDSA-N 2 0 287.407 1.361 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001167232808 1158546096 /nfs/dbraw/zinc/54/60/96/1158546096.db2.gz QSFAVSDWDHEROG-AWEZNQCLSA-N 2 0 279.428 1.390 20 30 CDEDRP C=CCC[NH2+]C[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001754284098 1159073778 /nfs/dbraw/zinc/07/37/78/1159073778.db2.gz ZDDKCAAUHUXBKC-BBRMVZONSA-N 2 0 299.434 1.869 20 30 CDEDRP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001754246336 1159000701 /nfs/dbraw/zinc/00/07/01/1159000701.db2.gz ZDDKCAAUHUXBKC-CZUORRHYSA-N 2 0 299.434 1.869 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)c1ccccc1CC[NH+](C)C ZINC001131801444 1163058106 /nfs/dbraw/zinc/05/81/06/1163058106.db2.gz GJKSNBAFKPBVCF-UHFFFAOYSA-N 2 0 287.407 1.133 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)COCC[NH+](C)C ZINC001158750222 1163519684 /nfs/dbraw/zinc/51/96/84/1163519684.db2.gz GBZCRRREGOZNSL-OAHLLOKOSA-N 2 0 297.443 1.064 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001566677596 1168385181 /nfs/dbraw/zinc/38/51/81/1168385181.db2.gz RRVRDNXLFSUJCY-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001571400871 1170412077 /nfs/dbraw/zinc/41/20/77/1170412077.db2.gz SGWDGSGXVBJXPR-CHWSQXEVSA-N 2 0 253.390 1.093 20 30 CDEDRP CC#CC[C@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC001574962350 1171064272 /nfs/dbraw/zinc/06/42/72/1171064272.db2.gz JYFIREYEKVTHRC-HNNXBMFYSA-N 2 0 279.428 1.450 20 30 CDEDRP CC#CC[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC001574973671 1171072547 /nfs/dbraw/zinc/07/25/47/1171072547.db2.gz XUIAQGCUJYSHGM-GJZGRUSLSA-N 2 0 293.455 1.744 20 30 CDEDRP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001698679359 1175893698 /nfs/dbraw/zinc/89/36/98/1175893698.db2.gz IBNGNSQHDZAANK-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[N@H+](C)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001751990910 1184805053 /nfs/dbraw/zinc/80/50/53/1184805053.db2.gz AJGCAGXBDONMRR-OAHLLOKOSA-N 2 0 279.428 1.322 20 30 CDEDRP C=C(C)CC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001752490076 1184869892 /nfs/dbraw/zinc/86/98/92/1184869892.db2.gz FCGPJSTWQFOHJF-GOEBONIOSA-N 2 0 293.455 1.779 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001752622017 1184884632 /nfs/dbraw/zinc/88/46/32/1184884632.db2.gz KOKYILMJYSTSHD-IHRRRGAJSA-N 2 0 265.401 1.284 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001752636590 1184886977 /nfs/dbraw/zinc/88/69/77/1184886977.db2.gz UQBYXJXUQPAEBK-IHRRRGAJSA-N 2 0 265.401 1.284 20 30 CDEDRP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001753302767 1185147986 /nfs/dbraw/zinc/14/79/86/1185147986.db2.gz JBOCNXGPZGWHJK-HZPDHXFCSA-N 2 0 285.391 1.018 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001753586202 1185259604 /nfs/dbraw/zinc/25/96/04/1185259604.db2.gz VLVXYXGQGIHHGU-JOCQHMNTSA-N 2 0 253.390 1.141 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)CCC)CC2 ZINC001753677285 1185295536 /nfs/dbraw/zinc/29/55/36/1185295536.db2.gz NXOZGSQFLTWCDU-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP CC#CC[NH2+]C/C=C/CNC(=O)CCC[NH+]1CCCC1 ZINC001754209379 1185505290 /nfs/dbraw/zinc/50/52/90/1185505290.db2.gz HQVSHXJNDMWZAP-SNAWJCMRSA-N 2 0 277.412 1.148 20 30 CDEDRP C=CCC[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001754408056 1185610510 /nfs/dbraw/zinc/61/05/10/1185610510.db2.gz VMOUYFMUMWSKEQ-UHFFFAOYSA-N 2 0 265.401 1.096 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001754494629 1185642687 /nfs/dbraw/zinc/64/26/87/1185642687.db2.gz VZJJVHCRWADEMP-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001754531681 1185662515 /nfs/dbraw/zinc/66/25/15/1185662515.db2.gz KDZQSNXXEFFTKJ-INIZCTEOSA-N 2 0 299.418 1.551 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001755734756 1186052663 /nfs/dbraw/zinc/05/26/63/1186052663.db2.gz DWBNWQSLSSVPJD-GJZGRUSLSA-N 2 0 291.439 1.369 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+](CC)C1 ZINC000303896781 1186581992 /nfs/dbraw/zinc/58/19/92/1186581992.db2.gz UUKGVTCWEPCHFU-GJZGRUSLSA-N 3 0 295.475 1.107 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)CC1 ZINC000844644077 818067348 /nfs/dbraw/zinc/06/73/48/818067348.db2.gz JZRIXWQXSBWMON-ILXRZTDVSA-N 2 0 291.439 1.271 20 30 CDEDRP CC[C@H](C)NC(=[NH2+])NCCC[NH+]1CCC(C)CC1 ZINC000122457545 818223469 /nfs/dbraw/zinc/22/34/69/818223469.db2.gz FVHFCJFWDQHIRE-ZDUSSCGKSA-N 2 0 254.422 1.811 20 30 CDEDRP CCNC(NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)=[NH+]CC ZINC000303379356 818281995 /nfs/dbraw/zinc/28/19/95/818281995.db2.gz QLOUXRVBWQZHPA-BETUJISGSA-N 2 0 284.448 1.449 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003977910 818301294 /nfs/dbraw/zinc/30/12/94/818301294.db2.gz ZHIVMTNPHXVHKJ-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CN[C@@H]1C[NH2+]CCOC1)C(C)C ZINC000925538704 818317044 /nfs/dbraw/zinc/31/70/44/818317044.db2.gz WCWSJTFWFYAIDB-CVEARBPZSA-N 2 0 281.444 1.263 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCCCCCC[NH3+])CC1 ZINC000831127444 818445750 /nfs/dbraw/zinc/44/57/50/818445750.db2.gz OQLVXNFVHZNHNI-UHFFFAOYSA-N 2 0 282.432 1.455 20 30 CDEDRP C#CCC[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000776593478 818546499 /nfs/dbraw/zinc/54/64/99/818546499.db2.gz JSWVIPSAFWAWDR-MRXNPFEDSA-N 2 0 263.429 1.502 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001039050710 818556420 /nfs/dbraw/zinc/55/64/20/818556420.db2.gz PISNWFNUJYNAPK-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001028335544 818569202 /nfs/dbraw/zinc/56/92/02/818569202.db2.gz XLLZYTMUJMNEGU-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000989190678 818596739 /nfs/dbraw/zinc/59/67/39/818596739.db2.gz XBNLWUXPFDTSPP-GXTWGEPZSA-N 2 0 282.347 1.160 20 30 CDEDRP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001027879065 818659914 /nfs/dbraw/zinc/65/99/14/818659914.db2.gz MGRWNOCNLDTFSH-CABCVRRESA-N 2 0 279.428 1.626 20 30 CDEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC000992437887 818689317 /nfs/dbraw/zinc/68/93/17/818689317.db2.gz XZCWMGNCTIEZPG-RHSMWYFYSA-N 2 0 289.423 1.381 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000134123380 818689458 /nfs/dbraw/zinc/68/94/58/818689458.db2.gz BUKQJNHMXNITCM-CQSZACIVSA-N 2 0 284.448 1.295 20 30 CDEDRP C[N@H+](CCCn1ccnc1)C[C@H](O)CC1(C#N)CCC1 ZINC000886094159 818709983 /nfs/dbraw/zinc/70/99/83/818709983.db2.gz NVRMAOKUDAKOAQ-CQSZACIVSA-N 2 0 276.384 1.650 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001050554139 818825180 /nfs/dbraw/zinc/82/51/80/818825180.db2.gz QIFZSIUAWPBRKK-HNNXBMFYSA-N 2 0 293.455 1.683 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CN2CCCC2)[C@H]1C ZINC000994412334 818836714 /nfs/dbraw/zinc/83/67/14/818836714.db2.gz USRILVFSEDBGDK-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001020673324 818971158 /nfs/dbraw/zinc/97/11/58/818971158.db2.gz IPESXCMMQKZVGB-RBSFLKMASA-N 2 0 279.428 1.674 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001054862882 819127429 /nfs/dbraw/zinc/12/74/29/819127429.db2.gz MKKXQJOVGVKNBA-IUODEOHRSA-N 2 0 284.363 1.570 20 30 CDEDRP COc1cccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000304763835 819152511 /nfs/dbraw/zinc/15/25/11/819152511.db2.gz XGBNRZKEQCJFPI-GFCCVEGCSA-N 2 0 276.384 1.764 20 30 CDEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC2=[NH+]CCN2C)C1 ZINC000848988052 819187503 /nfs/dbraw/zinc/18/75/03/819187503.db2.gz BAWDDALQCIGLRB-CHWSQXEVSA-N 2 0 252.406 1.245 20 30 CDEDRP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@H]2C1 ZINC001048849484 819255963 /nfs/dbraw/zinc/25/59/63/819255963.db2.gz IXJRRSVWWRQDLH-XHSDSOJGSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033582396 819311811 /nfs/dbraw/zinc/31/18/11/819311811.db2.gz OSQNJNBHQKERTN-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP N#Cc1ccc(NCC[NH2+][C@H]2CCC[C@@H]2C[NH3+])nc1 ZINC000925892902 819317288 /nfs/dbraw/zinc/31/72/88/819317288.db2.gz HQODNIFBBMKWQW-OLZOCXBDSA-N 2 0 259.357 1.082 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001027442315 819337726 /nfs/dbraw/zinc/33/77/26/819337726.db2.gz DESAPPUWDQCXTD-CABCVRRESA-N 2 0 279.428 1.435 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001022974778 819520282 /nfs/dbraw/zinc/52/02/82/819520282.db2.gz BQMMUBSPLPATSO-LVQVYYBASA-N 2 0 293.455 1.920 20 30 CDEDRP CC[NH+]1CCC(CCNC(=[NH2+])NC[C@H]2CCCO2)CC1 ZINC000304267858 819587416 /nfs/dbraw/zinc/58/74/16/819587416.db2.gz DJDABUOMHFUFDU-CQSZACIVSA-N 2 0 282.432 1.192 20 30 CDEDRP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023372472 819848161 /nfs/dbraw/zinc/84/81/61/819848161.db2.gz SXOHYIVJGIROMA-HOCLYGCPSA-N 2 0 291.439 1.342 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001019044220 819854826 /nfs/dbraw/zinc/85/48/26/819854826.db2.gz QJQKYUYEORFTAC-STQMWFEESA-N 2 0 285.819 1.414 20 30 CDEDRP C=CCC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001034397726 819866089 /nfs/dbraw/zinc/86/60/89/819866089.db2.gz KPWVHAOSUZAZKJ-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001032206269 819878563 /nfs/dbraw/zinc/87/85/63/819878563.db2.gz WNFCLAQVVNFAFT-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001048894954 819889681 /nfs/dbraw/zinc/88/96/81/819889681.db2.gz JUPIAICSXAWHRC-XHSDSOJGSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001075039134 820376821 /nfs/dbraw/zinc/37/68/21/820376821.db2.gz XZFRUPWWQWSQQH-IHRRRGAJSA-N 2 0 299.846 1.660 20 30 CDEDRP C=CC[NH2+]C1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001026561093 820662475 /nfs/dbraw/zinc/66/24/75/820662475.db2.gz OCGHVPHGOWNMOU-WLYUNCDWSA-N 2 0 279.428 1.674 20 30 CDEDRP CC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001017618366 820823987 /nfs/dbraw/zinc/82/39/87/820823987.db2.gz RPTJKRHEBOUXTN-XHSDSOJGSA-N 2 0 289.423 1.025 20 30 CDEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C1 ZINC001048863000 820838277 /nfs/dbraw/zinc/83/82/77/820838277.db2.gz CTTDALAZULVOHP-XHSDSOJGSA-N 2 0 291.439 1.293 20 30 CDEDRP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034526021 820838800 /nfs/dbraw/zinc/83/88/00/820838800.db2.gz RUDPOAMUFZRHOF-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001015705360 820841436 /nfs/dbraw/zinc/84/14/36/820841436.db2.gz JUZMKAQWTUZSHR-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP [NH2+]=C(NCCC[NH+]1CCCCCC1)NCC1CCC1 ZINC000303779598 820842929 /nfs/dbraw/zinc/84/29/29/820842929.db2.gz KRMJYWSSTOVTCN-UHFFFAOYSA-N 2 0 266.433 1.957 20 30 CDEDRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000923369742 820857758 /nfs/dbraw/zinc/85/77/58/820857758.db2.gz MECLGOMCTBQOMI-CABCVRRESA-N 2 0 273.380 1.569 20 30 CDEDRP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001049841668 820862019 /nfs/dbraw/zinc/86/20/19/820862019.db2.gz SZMFIYWCNXYAEI-ARFHVFGLSA-N 2 0 289.423 1.027 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2CC)CC1 ZINC000883342359 820863352 /nfs/dbraw/zinc/86/33/52/820863352.db2.gz UGJFPNVXMQGUIA-OAHLLOKOSA-N 2 0 294.443 1.420 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001036208007 820956878 /nfs/dbraw/zinc/95/68/78/820956878.db2.gz ILOBBJLPZCFLOB-ZBFHGGJFSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[N@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034492156 821041090 /nfs/dbraw/zinc/04/10/90/821041090.db2.gz ZKAZPEWNZKHBCA-HNNXBMFYSA-N 2 0 289.423 1.076 20 30 CDEDRP CC#CCN1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001033689732 821055325 /nfs/dbraw/zinc/05/53/25/821055325.db2.gz IZVJLEBMWGAWPF-JKSUJKDBSA-N 2 0 291.439 1.417 20 30 CDEDRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000304984245 821107633 /nfs/dbraw/zinc/10/76/33/821107633.db2.gz ASMVKSDUGFUDCT-AWEZNQCLSA-N 2 0 266.433 1.669 20 30 CDEDRP C#CCN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000886662762 821244034 /nfs/dbraw/zinc/24/40/34/821244034.db2.gz LRSXRDKTTPDTIP-MWDXBVQZSA-N 2 0 275.440 1.546 20 30 CDEDRP COc1ccc(NC(=[NH2+])NCC[NH2+]C(C)(C)C)cc1OC ZINC000304739440 821365006 /nfs/dbraw/zinc/36/50/06/821365006.db2.gz BFBFOKPDXQNCNW-UHFFFAOYSA-N 2 0 294.399 1.819 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008405666 821721441 /nfs/dbraw/zinc/72/14/41/821721441.db2.gz LFJMYJYSJDNRRL-AWEZNQCLSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001072835620 821808005 /nfs/dbraw/zinc/80/80/05/821808005.db2.gz OPWLCSWWTSCNLW-AWEZNQCLSA-N 2 0 279.428 1.293 20 30 CDEDRP C#CC[NH2+][C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995918580 821836012 /nfs/dbraw/zinc/83/60/12/821836012.db2.gz WTDGNDIVMUSOCY-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001003967667 821851561 /nfs/dbraw/zinc/85/15/61/821851561.db2.gz NEVWHMIXWGQXNY-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001049724493 821863172 /nfs/dbraw/zinc/86/31/72/821863172.db2.gz TUJICLACJAKAEC-ARFHVFGLSA-N 2 0 289.423 1.169 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC)C2)CC1 ZINC001072095462 821871024 /nfs/dbraw/zinc/87/10/24/821871024.db2.gz IPYVYUIBYQJYJK-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[N@@H+](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000985476089 821993732 /nfs/dbraw/zinc/99/37/32/821993732.db2.gz YCTDXPPGJYZGEA-UHFFFAOYSA-N 2 0 277.412 1.027 20 30 CDEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001016967779 822017624 /nfs/dbraw/zinc/01/76/24/822017624.db2.gz AVSPFVMQNKIHGA-HUUCEWRRSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001041833467 822062397 /nfs/dbraw/zinc/06/23/97/822062397.db2.gz QEKHOJMTHWPLOB-KRWDZBQOSA-N 2 0 291.439 1.583 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000987552060 822162400 /nfs/dbraw/zinc/16/24/00/822162400.db2.gz QFNIWRGSJRIHBS-PBHICJAKSA-N 2 0 299.418 1.574 20 30 CDEDRP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028266235 822303061 /nfs/dbraw/zinc/30/30/61/822303061.db2.gz RZSOXXQCBRVMHD-HNNXBMFYSA-N 2 0 291.439 1.629 20 30 CDEDRP C#CC[N@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001028648852 822324757 /nfs/dbraw/zinc/32/47/57/822324757.db2.gz NXAXLFHNNUBOLL-CQSZACIVSA-N 2 0 296.374 1.328 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](CC)C[C@H]1CC ZINC000836948968 822357979 /nfs/dbraw/zinc/35/79/79/822357979.db2.gz VBRWEMSPWANWRT-CYBMUJFWSA-N 2 0 253.390 1.047 20 30 CDEDRP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049728954 822561871 /nfs/dbraw/zinc/56/18/71/822561871.db2.gz SIWOTVVXVRUFGC-KKUMJFAQSA-N 2 0 279.428 1.578 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001007376092 822582074 /nfs/dbraw/zinc/58/20/74/822582074.db2.gz HNZOQNNOQREYPW-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001019365688 822639816 /nfs/dbraw/zinc/63/98/16/822639816.db2.gz MZSXNKFGCSWOAI-STQMWFEESA-N 2 0 288.395 1.596 20 30 CDEDRP N#CCC1CCC([NH+]2CCN(CCC[NH3+])CC2)CC1 ZINC001173330254 912428473 /nfs/dbraw/zinc/42/84/73/912428473.db2.gz MGYFAQNTSDRONC-UHFFFAOYSA-N 2 0 264.417 1.425 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)C1CCC(CC#N)CC1 ZINC001173338690 912436002 /nfs/dbraw/zinc/43/60/02/912436002.db2.gz GXJWIOVTTIAVDV-UHFFFAOYSA-N 2 0 280.460 1.884 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209419288 894663637 /nfs/dbraw/zinc/66/36/37/894663637.db2.gz KIVWOLWFZXWQGM-LBPRGKRZSA-N 2 0 273.808 1.271 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001167224942 894903093 /nfs/dbraw/zinc/90/30/93/894903093.db2.gz OSSUFMIADSCHME-OAHLLOKOSA-N 2 0 293.455 1.923 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001167236669 894927161 /nfs/dbraw/zinc/92/71/61/894927161.db2.gz OKQSKXJUFKYXSH-KGLIPLIRSA-N 2 0 279.428 1.246 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106626803 914079056 /nfs/dbraw/zinc/07/90/56/914079056.db2.gz LWSMMYXXBVRYGS-ZIAGYGMSSA-N 2 0 267.417 1.198 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267067090 896675251 /nfs/dbraw/zinc/67/52/51/896675251.db2.gz NGIXNRFCZLBLJO-HUUCEWRRSA-N 2 0 281.444 1.587 20 30 CDEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176564080 914180383 /nfs/dbraw/zinc/18/03/83/914180383.db2.gz LAVYJICSFPZHCI-CABCVRRESA-N 2 0 281.444 1.779 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176879842 914332658 /nfs/dbraw/zinc/33/26/58/914332658.db2.gz LNFARBAGJPZCSC-UHFFFAOYSA-N 2 0 287.835 1.711 20 30 CDEDRP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001267927968 899993575 /nfs/dbraw/zinc/99/35/75/899993575.db2.gz UVXQGTGGWOXYDL-JYJNAYRXSA-N 2 0 291.439 1.511 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176986833 914415628 /nfs/dbraw/zinc/41/56/28/914415628.db2.gz WYRFBCMUYUPZNQ-CQSZACIVSA-N 2 0 267.417 1.533 20 30 CDEDRP N#CCCOc1ccc(NC(=[NH2+])NCCCC[NH3+])cc1 ZINC001167881920 901639046 /nfs/dbraw/zinc/63/90/46/901639046.db2.gz MJACJMTUCJXIBJ-UHFFFAOYSA-N 2 0 275.356 1.654 20 30 CDEDRP C#CC[N@H+]1CC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001028662495 903386740 /nfs/dbraw/zinc/38/67/40/903386740.db2.gz YDXJTFWMEYQCAZ-CYBMUJFWSA-N 2 0 282.347 1.019 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001028692909 903672626 /nfs/dbraw/zinc/67/26/26/903672626.db2.gz DDWACBJCPXOIMV-AWEZNQCLSA-N 2 0 296.374 1.409 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H]1C ZINC001088605621 908217917 /nfs/dbraw/zinc/21/79/17/908217917.db2.gz YPIHOHLSLBKHOK-ILXRZTDVSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189477170 921497327 /nfs/dbraw/zinc/49/73/27/921497327.db2.gz FHIDVXRMLADDTD-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)[C@H](C)C1 ZINC001092657973 909483463 /nfs/dbraw/zinc/48/34/63/909483463.db2.gz ATRLLRPMVHDNHW-BZUAXINKSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)C[N@@H+](C)CCC ZINC001171757312 910929700 /nfs/dbraw/zinc/92/97/00/910929700.db2.gz ILGKBVDZIIZRNY-UHFFFAOYSA-N 2 0 261.797 1.177 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127065592 911253116 /nfs/dbraw/zinc/25/31/16/911253116.db2.gz BTXIENSTBWSVTQ-CYBMUJFWSA-N 2 0 253.390 1.141 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001178467541 915451396 /nfs/dbraw/zinc/45/13/96/915451396.db2.gz DBDNRWOBEULRMY-MRXNPFEDSA-N 2 0 293.455 1.759 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC001179409882 915839286 /nfs/dbraw/zinc/83/92/86/915839286.db2.gz RSLZPSIKTSMXMI-VGWMRTNUSA-N 2 0 291.439 1.319 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001484565182 915889095 /nfs/dbraw/zinc/88/90/95/915889095.db2.gz OJTCVPBPTVTYOL-BZUAXINKSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)C[C@H](C)n1ccnc1 ZINC001179706061 915945325 /nfs/dbraw/zinc/94/53/25/915945325.db2.gz UYMOIHCHGNNEMJ-HNNXBMFYSA-N 2 0 290.411 1.734 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]CC)CC1 ZINC001180360903 916281529 /nfs/dbraw/zinc/28/15/29/916281529.db2.gz PNACUDBYCOLURN-UHFFFAOYSA-N 2 0 293.455 1.618 20 30 CDEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031980417 917471478 /nfs/dbraw/zinc/47/14/78/917471478.db2.gz PZRKQTDFLLKVOH-UKRRQHHQSA-N 2 0 279.428 1.198 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000996712526 918381444 /nfs/dbraw/zinc/38/14/44/918381444.db2.gz QCLFGHMPONORNB-CQSZACIVSA-N 2 0 267.417 1.483 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001000914848 936542943 /nfs/dbraw/zinc/54/29/43/936542943.db2.gz BQDKHJUTRUTTSF-CHWSQXEVSA-N 2 0 285.819 1.271 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001185052415 919378995 /nfs/dbraw/zinc/37/89/95/919378995.db2.gz MZNAYHIWRJDHIP-HUUCEWRRSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001185448264 919631757 /nfs/dbraw/zinc/63/17/57/919631757.db2.gz WWOXMVODAGBERX-HOTGVXAUSA-N 2 0 293.455 1.426 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001186428063 920025938 /nfs/dbraw/zinc/02/59/38/920025938.db2.gz MIPJMZVKEOQCNZ-HUUCEWRRSA-N 2 0 279.428 1.177 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCC=C)C2)CC1 ZINC001188090207 920829157 /nfs/dbraw/zinc/82/91/57/920829157.db2.gz CKRUSHIKQKPKRX-MRXNPFEDSA-N 2 0 289.423 1.098 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001188322939 920972379 /nfs/dbraw/zinc/97/23/79/920972379.db2.gz OUZPGOULDDSPEM-ARFHVFGLSA-N 2 0 293.455 1.826 20 30 CDEDRP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001190084071 921834466 /nfs/dbraw/zinc/83/44/66/921834466.db2.gz JWPULPJAPVDBRK-HZPDHXFCSA-N 2 0 291.439 1.415 20 30 CDEDRP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045927 922893932 /nfs/dbraw/zinc/89/39/32/922893932.db2.gz ISWHSSHRHIJEER-OAHLLOKOSA-N 2 0 297.443 1.064 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192924142 923343779 /nfs/dbraw/zinc/34/37/79/923343779.db2.gz XJOFWEKVWAKDQP-CVEARBPZSA-N 2 0 293.455 1.519 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001193601076 923832915 /nfs/dbraw/zinc/83/29/15/923832915.db2.gz RQCBOYIBZASIIS-CQSZACIVSA-N 2 0 267.417 1.437 20 30 CDEDRP C[C@@H]1CC[N@H+](Cc2ccnc(C#N)c2)CC[C@H]1C[NH3+] ZINC001205651363 924057972 /nfs/dbraw/zinc/05/79/72/924057972.db2.gz CZCRKCBCYIHUCQ-OCCSQVGLSA-N 2 0 258.369 1.760 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001100890234 936943200 /nfs/dbraw/zinc/94/32/00/936943200.db2.gz RQIMFWDLOCGTOK-UHFFFAOYSA-N 2 0 279.428 1.226 20 30 CDEDRP C=C(C)CN1CC[C@@]2(CC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711811 924808144 /nfs/dbraw/zinc/80/81/44/924808144.db2.gz JRPNFHDQJDKQBB-MRXNPFEDSA-N 2 0 279.428 1.439 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001196342198 924875989 /nfs/dbraw/zinc/87/59/89/924875989.db2.gz ZJUIJCWWKZXTSR-UHFFFAOYSA-N 2 0 281.444 1.827 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001164538642 924917157 /nfs/dbraw/zinc/91/71/57/924917157.db2.gz KPCSOJUVCDYRMZ-HNNXBMFYSA-N 2 0 297.443 1.158 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(C)C)C1 ZINC001082568706 924959802 /nfs/dbraw/zinc/95/98/02/924959802.db2.gz MWHKKMGVESNPBK-OAGGEKHMSA-N 2 0 291.439 1.177 20 30 CDEDRP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101400083 936971010 /nfs/dbraw/zinc/97/10/10/936971010.db2.gz FYWLDJQZAVYCIF-WBVHZDCISA-N 2 0 291.439 1.132 20 30 CDEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001197269866 925106814 /nfs/dbraw/zinc/10/68/14/925106814.db2.gz UEEQVYVQFULBTJ-CQSZACIVSA-N 2 0 290.411 1.841 20 30 CDEDRP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294323 937050943 /nfs/dbraw/zinc/05/09/43/937050943.db2.gz SOZHIFCDIBUUKT-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102368259 937054643 /nfs/dbraw/zinc/05/46/43/937054643.db2.gz NDNVCPKFEIMKEH-BZUAXINKSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102381928 937056264 /nfs/dbraw/zinc/05/62/64/937056264.db2.gz IIYSBNJOJNKUNH-OAGGEKHMSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085589645 926196919 /nfs/dbraw/zinc/19/69/19/926196919.db2.gz QEYHHHIOIPCEAP-HOTGVXAUSA-N 2 0 293.455 1.968 20 30 CDEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102521122 937063650 /nfs/dbraw/zinc/06/36/50/937063650.db2.gz RLBFOSDHKVTPGB-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001410838019 926648649 /nfs/dbraw/zinc/64/86/49/926648649.db2.gz DDXFRNAFQGPTFH-CHWSQXEVSA-N 2 0 287.835 1.660 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001108717919 928615367 /nfs/dbraw/zinc/61/53/67/928615367.db2.gz YQLNQUPLHVZUEC-ZNMIVQPWSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+](C)C)C2 ZINC001108801122 928637124 /nfs/dbraw/zinc/63/71/24/928637124.db2.gz UHZOVCXXWMXNSP-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001108830546 928656316 /nfs/dbraw/zinc/65/63/16/928656316.db2.gz PFVOQAFVWPJISN-JYJNAYRXSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001086533735 929098089 /nfs/dbraw/zinc/09/80/89/929098089.db2.gz YAYOEJGWYXLRHA-VGWMRTNUSA-N 2 0 293.455 1.777 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584961 929799075 /nfs/dbraw/zinc/79/90/75/929799075.db2.gz YHLKQWVKMLADAF-KGLIPLIRSA-N 2 0 279.428 1.367 20 30 CDEDRP C=CC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001152479550 937365763 /nfs/dbraw/zinc/36/57/63/937365763.db2.gz HSZKDQLVMXIQQB-AWEZNQCLSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001135473898 930219075 /nfs/dbraw/zinc/21/90/75/930219075.db2.gz AETOVAHCXIJDLT-CQSZACIVSA-N 2 0 267.417 1.082 20 30 CDEDRP COc1cc(CCC#N)c(N[C@@H]([NH3+])CCC[NH3+])cc1OC ZINC001170898550 930696652 /nfs/dbraw/zinc/69/66/52/930696652.db2.gz DNPXLQQJAKSIIC-OAHLLOKOSA-N 2 0 292.383 1.596 20 30 CDEDRP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001153728654 937464327 /nfs/dbraw/zinc/46/43/27/937464327.db2.gz PTZCPYOLMZTBTR-CABCVRRESA-N 2 0 279.428 1.321 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146337543 932236253 /nfs/dbraw/zinc/23/62/53/932236253.db2.gz CYGKARBGYNXOTM-QWHCGFSZSA-N 2 0 287.835 1.708 20 30 CDEDRP C#Cc1cccc(C[NH+]2CC3(C2)CCN(CC[NH+](C)C)C3)c1 ZINC001276097070 932524826 /nfs/dbraw/zinc/52/48/26/932524826.db2.gz RBJQKZKTDONSIL-UHFFFAOYSA-N 2 0 297.446 1.737 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)CC[N@@H+](C)CCC ZINC001148578235 932749764 /nfs/dbraw/zinc/74/97/64/932749764.db2.gz RMPMUFIFKMXXRM-UHFFFAOYSA-N 2 0 255.406 1.390 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001148845189 932796553 /nfs/dbraw/zinc/79/65/53/932796553.db2.gz XQKVKFSLDXSCBB-UHFFFAOYSA-N 2 0 279.428 1.437 20 30 CDEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001155791864 937674472 /nfs/dbraw/zinc/67/44/72/937674472.db2.gz ZDUOPRZPNIUYHN-QGZVFWFLSA-N 2 0 299.418 1.228 20 30 CDEDRP N#Cc1ccc([C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037904434 934834016 /nfs/dbraw/zinc/83/40/16/934834016.db2.gz KODSIHCAMZMQOU-WMLDXEAASA-N 2 0 285.391 1.666 20 30 CDEDRP C[C@H](CC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)[NH+](C)C ZINC001120580489 937813435 /nfs/dbraw/zinc/81/34/35/937813435.db2.gz AYGUQNXAQNZWQC-UKRRQHHQSA-N 2 0 291.395 1.228 20 30 CDEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@H]1C ZINC001114832126 935003290 /nfs/dbraw/zinc/00/32/90/935003290.db2.gz LULPKFIVHSVFDX-AIANPOQGSA-N 2 0 291.439 1.483 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1CC ZINC001037859142 935303446 /nfs/dbraw/zinc/30/34/46/935303446.db2.gz IBTDKZCVEJOOIZ-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049170821 936120740 /nfs/dbraw/zinc/12/07/40/936120740.db2.gz FZDAUHTVHCPZOJ-OAGGEKHMSA-N 2 0 291.439 1.295 20 30 CDEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001120835059 937840477 /nfs/dbraw/zinc/84/04/77/937840477.db2.gz UUINUYCMHIZNJA-LETWWHAPSA-N 2 0 291.439 1.674 20 30 CDEDRP C#CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@@H+](C)CC)C2)C1 ZINC001121325465 937867084 /nfs/dbraw/zinc/86/70/84/937867084.db2.gz FDRGQSSIYWJZAJ-UHFFFAOYSA-N 2 0 291.439 1.367 20 30 CDEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001122177483 937911119 /nfs/dbraw/zinc/91/11/19/937911119.db2.gz DBYXEEUBEYCFLL-UHFFFAOYSA-N 2 0 291.439 1.675 20 30 CDEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409526 938364075 /nfs/dbraw/zinc/36/40/75/938364075.db2.gz QAAWQXQYOZTHEJ-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C[C@@H]([NH3+])c1ccn(-c2ncc3c(c2C#N)CCC[NH2+]C3)n1 ZINC001158344476 938610884 /nfs/dbraw/zinc/61/08/84/938610884.db2.gz CZVRVTMMZCKZOO-SNVBAGLBSA-N 2 0 282.351 1.194 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158437739 938626244 /nfs/dbraw/zinc/62/62/44/938626244.db2.gz AJOOEYXMWPWUCC-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001159335171 938722882 /nfs/dbraw/zinc/72/28/82/938722882.db2.gz UCXXCYYUQAVESK-HNNXBMFYSA-N 2 0 297.443 1.159 20 30 CDEDRP N#Cc1ccc(-c2ccncc2)nc1N[C@H]([NH3+])CCC[NH3+] ZINC001159787054 938753249 /nfs/dbraw/zinc/75/32/49/938753249.db2.gz QLRWEYREOPYXFJ-AWEZNQCLSA-N 2 0 282.351 1.451 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159915219 938760188 /nfs/dbraw/zinc/76/01/88/938760188.db2.gz HQVNIDJMPNBNKT-LBPRGKRZSA-N 2 0 273.808 1.175 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160421941 938786137 /nfs/dbraw/zinc/78/61/37/938786137.db2.gz YGHBMUJWCVJCIY-LBPRGKRZSA-N 2 0 275.824 1.421 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001206680015 939166043 /nfs/dbraw/zinc/16/60/43/939166043.db2.gz YKZKFIIWLRSVEF-UHFFFAOYSA-N 2 0 291.439 1.180 20 30 CDEDRP N#CCc1cc(NCC[C@H]2C[NH2+]Cc3cccn3C2)cc[nH+]1 ZINC001163064255 939188341 /nfs/dbraw/zinc/18/83/41/939188341.db2.gz WAZRNPLZGPQRHT-AWEZNQCLSA-N 2 0 295.390 1.593 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001164513892 939481990 /nfs/dbraw/zinc/48/19/90/939481990.db2.gz KGHDCERPMXIYCH-HNNXBMFYSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001166979128 939666143 /nfs/dbraw/zinc/66/61/43/939666143.db2.gz LQMKBXZIZVGZNF-UHFFFAOYSA-N 2 0 293.455 1.780 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)Cn2ccnc2C)CC1 ZINC001203709193 939701317 /nfs/dbraw/zinc/70/13/17/939701317.db2.gz NVUZMVAFXUMXPQ-UHFFFAOYSA-N 2 0 290.411 1.738 20 30 CDEDRP CN(CCC#N)c1ccc(CN2CCC[NH2+]CC2)cc1 ZINC001204675131 939784853 /nfs/dbraw/zinc/78/48/53/939784853.db2.gz HWQAAALBSFVXJL-UHFFFAOYSA-N 2 0 272.396 1.832 20 30 CDEDRP N#Cc1ccc(CC[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001205666004 939914543 /nfs/dbraw/zinc/91/45/43/939914543.db2.gz XZITUKCZSMUHCN-MRXNPFEDSA-N 2 0 273.380 1.276 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001206073848 939974683 /nfs/dbraw/zinc/97/46/83/939974683.db2.gz FPDBLHSUTOXGAT-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207684490 940230734 /nfs/dbraw/zinc/23/07/34/940230734.db2.gz PBTUTNJHZWAALW-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208447746 940331851 /nfs/dbraw/zinc/33/18/51/940331851.db2.gz OUCKIWXVALGUKB-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001209585882 940612486 /nfs/dbraw/zinc/61/24/86/940612486.db2.gz RVDORHKRFFZOOC-BZUAXINKSA-N 2 0 293.455 1.423 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001209642972 940622068 /nfs/dbraw/zinc/62/20/68/940622068.db2.gz QUZWPGDIVDWBID-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210220787 940672430 /nfs/dbraw/zinc/67/24/30/940672430.db2.gz WTLGZGJOWRQEIL-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210493669 940694626 /nfs/dbraw/zinc/69/46/26/940694626.db2.gz MZGNZKRLIRTJFJ-HNNXBMFYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211228621 940740611 /nfs/dbraw/zinc/74/06/11/940740611.db2.gz FMYCGQZJJSLCNV-HNNXBMFYSA-N 2 0 279.428 1.629 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001211258176 940742073 /nfs/dbraw/zinc/74/20/73/940742073.db2.gz ZPBKTLCWNRCWKF-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214862933 940842526 /nfs/dbraw/zinc/84/25/26/940842526.db2.gz AFUCYVPZEYKJPG-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000402166895 940890147 /nfs/dbraw/zinc/89/01/47/940890147.db2.gz RYKJIEUNPJRSBW-HUUCEWRRSA-N 2 0 259.353 1.262 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001216490843 940941518 /nfs/dbraw/zinc/94/15/18/940941518.db2.gz RNVUSPXZUPJHAA-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216750201 940964177 /nfs/dbraw/zinc/96/41/77/940964177.db2.gz UEZMDLFOJQQOGM-QLFBSQMISA-N 2 0 279.428 1.341 20 30 CDEDRP C[C@]1(C(=O)Nc2sc3c(c2C#N)CC[NH2+]C3)CC[NH2+]C1 ZINC001218552638 941235877 /nfs/dbraw/zinc/23/58/77/941235877.db2.gz JUBWDPWUOOCFQA-AWEZNQCLSA-N 2 0 290.392 1.204 20 30 CDEDRP Cc1cc(C#N)c(F)cc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001219112666 941309884 /nfs/dbraw/zinc/30/98/84/941309884.db2.gz PZORDUHHQARAFN-LLVKDONJSA-N 2 0 264.304 1.011 20 30 CDEDRP N#Cc1ccc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])c(C#N)c1 ZINC001219392961 941339402 /nfs/dbraw/zinc/33/94/02/941339402.db2.gz GTEUOQPPCHPTNW-ZDUSSCGKSA-N 2 0 285.351 1.215 20 30 CDEDRP C[C@@H](CNC(=O)NCC#CC[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC001220627301 941459844 /nfs/dbraw/zinc/45/98/44/941459844.db2.gz XKQFXTFMRWVKQB-CABCVRRESA-N 2 0 294.443 1.114 20 30 CDEDRP C=CC[C@@H](NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)c1ccccc1 ZINC001221358027 941522136 /nfs/dbraw/zinc/52/21/36/941522136.db2.gz KXPFUXXSYRHGKE-LSDHHAIUSA-N 2 0 284.363 1.713 20 30 CDEDRP C[NH+]1CCC(CO[C@H](CC#N)C[N+](C)(C)C)CC1 ZINC001224456124 941756414 /nfs/dbraw/zinc/75/64/14/941756414.db2.gz XSCVZJUYNVIISQ-CQSZACIVSA-N 2 0 254.398 1.333 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)NCCCCCCC[NH+](C)C ZINC001225167122 941827833 /nfs/dbraw/zinc/82/78/33/941827833.db2.gz WJFVJXWLYCHDAF-UHFFFAOYSA-N 2 0 296.459 1.363 20 30 CDEDRP C=CCC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCC1 ZINC001280505044 942455272 /nfs/dbraw/zinc/45/52/72/942455272.db2.gz ATVQGLJOLYAEBP-ZDUSSCGKSA-N 2 0 267.417 1.531 20 30 CDEDRP C#CC[NH2+]CC(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001263093255 943741961 /nfs/dbraw/zinc/74/19/61/943741961.db2.gz UZLFVBXXCKJKTE-MRXNPFEDSA-N 2 0 287.407 1.191 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC001263103386 943745734 /nfs/dbraw/zinc/74/57/34/943745734.db2.gz XPWSCPDYGRFFQW-KWCYVHTRSA-N 2 0 265.401 1.269 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235336095 944126380 /nfs/dbraw/zinc/12/63/80/944126380.db2.gz NJLMVLSSGFEIQS-CVEARBPZSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235393933 944143476 /nfs/dbraw/zinc/14/34/76/944143476.db2.gz RWYNXPNCJGQOIY-INIZCTEOSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001265312094 944338674 /nfs/dbraw/zinc/33/86/74/944338674.db2.gz HFXVYEYGVCWBGQ-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP CC[NH+](CC)CCN1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254652724 947572603 /nfs/dbraw/zinc/57/26/03/947572603.db2.gz HJGPHFOUJJLIMF-CVEARBPZSA-N 2 0 278.444 1.638 20 30 CDEDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2[C@H]1CC[C@@H](C#N)C1 ZINC001254666806 947579639 /nfs/dbraw/zinc/57/96/39/947579639.db2.gz YKCKDOJFQNATTK-FXUDXRNXSA-N 2 0 276.428 1.389 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245983312 947876847 /nfs/dbraw/zinc/87/68/47/947876847.db2.gz VDMLEOGDWDMJRQ-ZIAGYGMSSA-N 2 0 268.401 1.062 20 30 CDEDRP C=CCCCCCC[C@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246007226 947889255 /nfs/dbraw/zinc/88/92/55/947889255.db2.gz JGGVFPMZCOZITI-GJZGRUSLSA-N 2 0 299.459 1.446 20 30 CDEDRP C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246024223 947904470 /nfs/dbraw/zinc/90/44/70/947904470.db2.gz RCAYDYCOJLGKDQ-RRFJBIMHSA-N 2 0 270.417 1.268 20 30 CDEDRP N#Cc1ccc2c(c1)c(CC[NH3+])cn2[C@@H]1CCC[NH2+]C1 ZINC001246322578 948105043 /nfs/dbraw/zinc/10/50/43/948105043.db2.gz AYWWEIHFSPITBV-CQSZACIVSA-N 2 0 268.364 1.939 20 30 CDEDRP C#CC1CC[NH+](C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256695442 948402233 /nfs/dbraw/zinc/40/22/33/948402233.db2.gz ACSBUOFVXIFILA-UHFFFAOYSA-N 2 0 276.424 1.975 20 30 CDEDRP C=CCOCc1nn([C@@H]2CC[C@@H](C)[NH2+]C2)c2c1C[NH2+]C2 ZINC001246705151 948411505 /nfs/dbraw/zinc/41/15/05/948411505.db2.gz XEIMEPFVFMMXTM-VXGBXAGGSA-N 2 0 276.384 1.502 20 30 CDEDRP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246724649 948420278 /nfs/dbraw/zinc/42/02/78/948420278.db2.gz WEMNOBWZNCWDFD-DLBZAZTESA-N 2 0 294.439 1.812 20 30 CDEDRP C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246859365 948485351 /nfs/dbraw/zinc/48/53/51/948485351.db2.gz KQDQPAOZGDSWBV-AJSFGMTHSA-N 2 0 285.391 1.395 20 30 CDEDRP C=CCC[C@H](O)CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001252603114 951495708 /nfs/dbraw/zinc/49/57/08/951495708.db2.gz LTDNXFUVDPLPEP-INIZCTEOSA-N 2 0 285.476 1.519 20 30 CDEDRP C=C[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001253607387 951992821 /nfs/dbraw/zinc/99/28/21/951992821.db2.gz WIEJFSGQPBCVLC-OAHLLOKOSA-N 2 0 276.380 1.493 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001328203912 955223812 /nfs/dbraw/zinc/22/38/12/955223812.db2.gz KYZZTXBMBHGTRV-GJZGRUSLSA-N 2 0 294.443 1.114 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC(CC[NH3+])CC1 ZINC001340556429 963004612 /nfs/dbraw/zinc/00/46/12/963004612.db2.gz HSOXPRYKLQJWST-CYBMUJFWSA-N 2 0 253.390 1.257 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001100423402 968301699 /nfs/dbraw/zinc/30/16/99/968301699.db2.gz HAIZEXZISGNWSM-RUXDESIVSA-N 2 0 267.417 1.243 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)Nc1ccccc1C[NH+](C)C ZINC000848151858 968771615 /nfs/dbraw/zinc/77/16/15/968771615.db2.gz CWVSURBIVQUOHB-UHFFFAOYSA-N 2 0 261.369 1.805 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001200840705 969002377 /nfs/dbraw/zinc/00/23/77/969002377.db2.gz LZAPYKWWCVLKDH-HNNXBMFYSA-N 2 0 299.434 1.823 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](CC(C)C)C1)NC1CC1 ZINC000849012697 969403921 /nfs/dbraw/zinc/40/39/21/969403921.db2.gz RANBNCIUPYUGBS-LBPRGKRZSA-N 2 0 252.406 1.292 20 30 CDEDRP CCNC(NCC[N@@H+]1CCCC(C)(C)C1)=[NH+]CC ZINC000849023117 969410812 /nfs/dbraw/zinc/41/08/12/969410812.db2.gz NFDHANZERHBJQH-UHFFFAOYSA-N 2 0 254.422 1.683 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001394428001 978157970 /nfs/dbraw/zinc/15/79/70/978157970.db2.gz GWHHYAHGJCXFBC-ZIAGYGMSSA-N 2 0 299.846 1.660 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132266765 1163220751 /nfs/dbraw/zinc/22/07/51/1163220751.db2.gz ZWAJZYSWAPWCAM-KGLIPLIRSA-N 2 0 267.417 1.483 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132284042 1163223347 /nfs/dbraw/zinc/22/33/47/1163223347.db2.gz TWDGEKWKLWNVNI-UHFFFAOYSA-N 2 0 267.417 1.533 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001133181564 1163598015 /nfs/dbraw/zinc/59/80/15/1163598015.db2.gz CYRCKXJEDAFOAY-JKSUJKDBSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC001574908073 1171046476 /nfs/dbraw/zinc/04/64/76/1171046476.db2.gz CITUGDNYXNLVOX-CABCVRRESA-N 2 0 297.443 1.287 20 30 CDEDRP CC#CC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC001574962796 1171065934 /nfs/dbraw/zinc/06/59/34/1171065934.db2.gz OOUKZGAVCVQISD-CABCVRRESA-N 2 0 277.412 1.204 20 30 CDEDRP C[N@@H+]1CCN(CC[NH2+]C[C@H](C#N)CCC#N)CC1(C)C ZINC000591765353 342645813 /nfs/dbraw/zinc/64/58/13/342645813.db2.gz VXVHGOIBUBQRDR-AWEZNQCLSA-N 2 0 277.416 1.046 20 30 CDEDRP Cc1cc(N2CCC([NH2+]C3CC3)CC2)c(C#N)cn1 ZINC000591821608 342647671 /nfs/dbraw/zinc/64/76/71/342647671.db2.gz YFEHNIMUAHJZNR-UHFFFAOYSA-N 2 0 256.353 1.983 20 30 CDEDRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594438589 342906212 /nfs/dbraw/zinc/90/62/12/342906212.db2.gz KLLQTGCFDLDPPO-CABCVRRESA-N 2 0 294.443 1.588 20 30 CDEDRP C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C(C)(C)C[NH+](C)C ZINC000598722112 343884364 /nfs/dbraw/zinc/88/43/64/343884364.db2.gz ZDVSRLFLLHLDNJ-QWHCGFSZSA-N 2 0 269.433 1.853 20 30 CDEDRP C#C[C@@H](CCC)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000491640679 347585470 /nfs/dbraw/zinc/58/54/70/347585470.db2.gz YRLNMIBSTCTQEI-STQMWFEESA-N 2 0 250.390 1.387 20 30 CDEDRP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)N1CC[NH+](C)CC1 ZINC000105465879 186058540 /nfs/dbraw/zinc/05/85/40/186058540.db2.gz VTARUGKCGBSWEP-CQSZACIVSA-N 2 0 272.396 1.284 20 30 CDEDRP CCCNC(=[NH2+])NCc1ccc(OCC[NH+](C)C)cc1 ZINC000264115491 362970973 /nfs/dbraw/zinc/97/09/73/362970973.db2.gz PWMVYTHRIVISAU-UHFFFAOYSA-N 2 0 278.400 1.441 20 30 CDEDRP CC[NH+](CC)Cc1ccc(CNC(=[NH2+])NCCOC)cc1 ZINC000264115358 362970713 /nfs/dbraw/zinc/97/07/13/362970713.db2.gz PTSWNXFGZZGWBL-UHFFFAOYSA-N 2 0 292.427 1.579 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)C(C)C ZINC000165201764 188629768 /nfs/dbraw/zinc/62/97/68/188629768.db2.gz GALYERVWTPYFOI-HUUCEWRRSA-N 2 0 279.428 1.411 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000069840969 356496744 /nfs/dbraw/zinc/49/67/44/356496744.db2.gz NUWASPYWACYPQS-AWEZNQCLSA-N 2 0 284.448 1.438 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1 ZINC000336387959 363489275 /nfs/dbraw/zinc/48/92/75/363489275.db2.gz MHDVTNBHNNEORL-AWEZNQCLSA-N 2 0 294.443 1.372 20 30 CDEDRP C[NH+]1CCN(C(C)(C)C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000135144362 357698570 /nfs/dbraw/zinc/69/85/70/357698570.db2.gz XQMAQBXMHAPCSY-UHFFFAOYSA-N 2 0 280.460 1.932 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)CC[C@H](C)[NH3+])C(C)C ZINC000277496708 359562965 /nfs/dbraw/zinc/56/29/65/359562965.db2.gz OLPVJWVPVJKEMC-LSDHHAIUSA-N 2 0 281.444 1.929 20 30 CDEDRP C=CCN(Cc1ccccc1F)C[C@@](C)(O)C[NH2+]C ZINC000566351472 370690831 /nfs/dbraw/zinc/69/08/31/370690831.db2.gz KPFVGGCNSVSHBE-HNNXBMFYSA-N 2 0 266.360 1.784 20 30 CDEDRP C=CC[C@H](CO)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000539296493 368412268 /nfs/dbraw/zinc/41/22/68/368412268.db2.gz BRINCORHTPSINZ-AWEZNQCLSA-N 2 0 252.402 1.635 20 30 CDEDRP C[C@@H]1C[N@H+](CCCCC#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362704690 369112355 /nfs/dbraw/zinc/11/23/55/369112355.db2.gz VEZWIJGXUFBSSW-CVEARBPZSA-N 2 0 278.444 1.638 20 30 CDEDRP N#Cc1cccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000514793507 374109430 /nfs/dbraw/zinc/10/94/30/374109430.db2.gz XVBLVOWSUICTKV-MRXNPFEDSA-N 2 0 285.391 1.746 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](C)[NH2+]C1CC1)C(C)C ZINC000296361806 378727989 /nfs/dbraw/zinc/72/79/89/378727989.db2.gz JNMOQIMRTKKLRF-GDBMZVCRSA-N 2 0 293.455 1.942 20 30 CDEDRP CCC[N@H+](CCN1CC[NH+](CC)CC1)CC1(C#N)CC1 ZINC000344185281 379309899 /nfs/dbraw/zinc/30/98/99/379309899.db2.gz VBCIDCWUYKTROJ-UHFFFAOYSA-N 2 0 278.444 1.640 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000236659341 390918138 /nfs/dbraw/zinc/91/81/38/390918138.db2.gz ZVMUUBGBUVXLKS-UHFFFAOYSA-N 2 0 279.428 1.533 20 30 CDEDRP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C1=O ZINC000647977626 391375449 /nfs/dbraw/zinc/37/54/49/391375449.db2.gz FITPHFJOZJNAMJ-OAGGEKHMSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000336153929 391867465 /nfs/dbraw/zinc/86/74/65/391867465.db2.gz PXNPMAQWSQVXQG-CQSZACIVSA-N 2 0 251.418 1.663 20 30 CDEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000192851114 392239729 /nfs/dbraw/zinc/23/97/29/392239729.db2.gz FCENHRKDDBJGJY-BZUAXINKSA-N 2 0 279.428 1.895 20 30 CDEDRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cccc(C#N)c1 ZINC000219305742 140166019 /nfs/dbraw/zinc/16/60/19/140166019.db2.gz FOZHHAYXIOPAIA-CYBMUJFWSA-N 2 0 261.369 1.787 20 30 CDEDRP CN(C)c1ccc(C(N)=[NH+]OCC[NH+]2CCCCC2)cc1 ZINC000190090908 262178958 /nfs/dbraw/zinc/17/89/58/262178958.db2.gz GVVJFSAQRXQIJE-UHFFFAOYSA-N 2 0 290.411 1.875 20 30 CDEDRP C=CCNC(=[NH2+])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000195522043 262251748 /nfs/dbraw/zinc/25/17/48/262251748.db2.gz JGIPGLXSIJFPST-UHFFFAOYSA-N 2 0 272.396 1.873 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H](C)C1C[NH2+]C1)C(C)C ZINC000357168179 266259404 /nfs/dbraw/zinc/25/94/04/266259404.db2.gz BFYRSDTWFLYFMX-ZBFHGGJFSA-N 2 0 293.455 1.657 20 30 CDEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCCC#N ZINC000371292625 267383975 /nfs/dbraw/zinc/38/39/75/267383975.db2.gz CNODBCWMKXTDEZ-QLFBSQMISA-N 2 0 265.401 1.864 20 30 CDEDRP C[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185880745 329334496 /nfs/dbraw/zinc/33/44/96/329334496.db2.gz IUGLZGLIBXDYQE-CABCVRRESA-N 2 0 264.417 1.296 20 30 CDEDRP C#CCNC(NC[C@H]1CCC[N@@H+](C(C)C)C1)=[NH+]CC ZINC000262623318 330023121 /nfs/dbraw/zinc/02/31/21/330023121.db2.gz QSBXREXRCYABHU-CQSZACIVSA-N 2 0 264.417 1.295 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cscc1C ZINC000262752242 330029195 /nfs/dbraw/zinc/02/91/95/330029195.db2.gz CGEXEEKVNKJLDW-CYBMUJFWSA-N 2 0 280.441 1.945 20 30 CDEDRP CC[NH+]=C(NCC1(O)CCC1)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000262789292 330031527 /nfs/dbraw/zinc/03/15/27/330031527.db2.gz NLYGZRPTTSVKMY-CHWSQXEVSA-N 2 0 294.443 1.082 20 30 CDEDRP CSC1(CNC2=[NH+]CCCN2C)CC[NH+](C)CC1 ZINC000263197529 330048824 /nfs/dbraw/zinc/04/88/24/330048824.db2.gz WRKHXNNJMSYZMN-UHFFFAOYSA-N 2 0 270.446 1.095 20 30 CDEDRP C[NH+](C)C1(CNC(=[NH2+])NCC2CCC2)CCCCC1 ZINC000263229150 330049907 /nfs/dbraw/zinc/04/99/07/330049907.db2.gz HPGCAAXCKCGAAX-UHFFFAOYSA-N 2 0 266.433 1.955 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](C)C[NH2+]C)C(C)C ZINC000269250464 330068113 /nfs/dbraw/zinc/06/81/13/330068113.db2.gz XYTQWBKDMAXAGH-LSDHHAIUSA-N 2 0 281.444 1.657 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000424158540 330305584 /nfs/dbraw/zinc/30/55/84/330305584.db2.gz RDUPENKZAOJLIR-KGLIPLIRSA-N 2 0 278.400 1.094 20 30 CDEDRP C=CCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)C1CC1 ZINC000121014284 330395007 /nfs/dbraw/zinc/39/50/07/330395007.db2.gz CKOYQOTXTHFMOM-ZBFHGGJFSA-N 2 0 265.445 1.957 20 30 CDEDRP C#CCNC(=O)CC[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000491325714 332189886 /nfs/dbraw/zinc/18/98/86/332189886.db2.gz GENVEZAJNJBTOC-UHFFFAOYSA-N 2 0 265.401 1.025 20 30 CDEDRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000548450020 334156987 /nfs/dbraw/zinc/15/69/87/334156987.db2.gz IJVRHIVVJRAEEB-GFCCVEGCSA-N 2 0 280.416 1.257 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000359291239 483029243 /nfs/dbraw/zinc/02/92/43/483029243.db2.gz MKGCYZVTIOLCTM-AWEZNQCLSA-N 2 0 292.427 1.173 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089559483 1161218875 /nfs/dbraw/zinc/21/88/75/1161218875.db2.gz PKXBPBXOFFMAGK-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](C#N)CCC#N ZINC001772050871 1187027757 /nfs/dbraw/zinc/02/77/57/1187027757.db2.gz MLCIMQAXDOAVMM-HUUCEWRRSA-N 2 0 277.416 1.046 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001113343856 1162158489 /nfs/dbraw/zinc/15/84/89/1162158489.db2.gz HCZJEQMLGZTSGD-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000764424492 575906078 /nfs/dbraw/zinc/90/60/78/575906078.db2.gz QDHAWXUCIOQNJR-UHFFFAOYSA-N 2 0 289.423 1.872 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000764575305 575921660 /nfs/dbraw/zinc/92/16/60/575921660.db2.gz JCSORDMPZQAJSJ-ZDUSSCGKSA-N 2 0 253.390 1.047 20 30 CDEDRP C#CCCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000766903084 576144862 /nfs/dbraw/zinc/14/48/62/576144862.db2.gz PELDPVUPXJLGDK-UHFFFAOYSA-N 2 0 264.413 1.977 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC000747402326 576868700 /nfs/dbraw/zinc/86/87/00/576868700.db2.gz KLRKQGIFZXTTCJ-MRXNPFEDSA-N 2 0 293.455 1.711 20 30 CDEDRP C#CCCOC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000858910312 617205156 /nfs/dbraw/zinc/20/51/56/617205156.db2.gz ABBGTFVUTWIFKZ-UHFFFAOYSA-N 2 0 281.400 1.104 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000948244245 613007746 /nfs/dbraw/zinc/00/77/46/613007746.db2.gz GFQZDPXRDGIWNH-HZPDHXFCSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000972154947 613083048 /nfs/dbraw/zinc/08/30/48/613083048.db2.gz RCHARRQUWTVNLG-HZPDHXFCSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC)C2)CC1 ZINC000981539867 613131642 /nfs/dbraw/zinc/13/16/42/613131642.db2.gz ACRKBHYMLDNTMV-CVEARBPZSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CCN1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000981438235 613154814 /nfs/dbraw/zinc/15/48/14/613154814.db2.gz MNHIKQQINFHLSU-CVEARBPZSA-N 2 0 289.423 1.171 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944944622 613335066 /nfs/dbraw/zinc/33/50/66/613335066.db2.gz NQKXKOHMPAEKQY-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000968904774 613348071 /nfs/dbraw/zinc/34/80/71/613348071.db2.gz ZPZJCLVZEYWRHN-CYBMUJFWSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000969411374 613485652 /nfs/dbraw/zinc/48/56/52/613485652.db2.gz JUWRDKKBIORJTL-JSGCOSHPSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000969706717 613486221 /nfs/dbraw/zinc/48/62/21/613486221.db2.gz OMRBIYWJMOCNIX-CWRNSKLLSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CCC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975052829 613554029 /nfs/dbraw/zinc/55/40/29/613554029.db2.gz RSVFVSIWMATDJH-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942598423 613597207 /nfs/dbraw/zinc/59/72/07/613597207.db2.gz XHQQDGXCYQRVED-HOCLYGCPSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000969014219 613683463 /nfs/dbraw/zinc/68/34/63/613683463.db2.gz UJBKVMTZNANZGZ-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000974899237 613806419 /nfs/dbraw/zinc/80/64/19/613806419.db2.gz KDZAUQJDTAQMTF-CQSZACIVSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC000978160211 613834665 /nfs/dbraw/zinc/83/46/65/613834665.db2.gz RCKUPLRLDOBZDI-JONQDZQNSA-N 2 0 291.439 1.339 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000965849921 613857962 /nfs/dbraw/zinc/85/79/62/613857962.db2.gz BFPHDFBPRREXHB-UHFFFAOYSA-N 2 0 289.423 1.285 20 30 CDEDRP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981527474 613861964 /nfs/dbraw/zinc/86/19/64/613861964.db2.gz JHTTWDIPMCYJDG-KGLIPLIRSA-N 2 0 265.401 1.285 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NC2(C[NH3+])CCCCC2)CC1 ZINC000891522423 617459189 /nfs/dbraw/zinc/45/91/89/617459189.db2.gz OWEOOWIATPEBBF-UHFFFAOYSA-N 2 0 294.443 1.598 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000900597812 623274817 /nfs/dbraw/zinc/27/48/17/623274817.db2.gz AEARQTCZVTWJQP-HOTGVXAUSA-N 2 0 291.439 1.770 20 30 CDEDRP C#CCN1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903218572 625915038 /nfs/dbraw/zinc/91/50/38/625915038.db2.gz DRHZEZWVIUPIKV-DUZACMNTSA-N 2 0 287.451 1.831 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1OC ZINC000911665752 629385557 /nfs/dbraw/zinc/38/55/57/629385557.db2.gz SYZVYKDNUIHABO-ZIAGYGMSSA-N 2 0 291.395 1.495 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000911685951 629415829 /nfs/dbraw/zinc/41/58/29/629415829.db2.gz WRUOKBKKEOGAOB-FRRDWIJNSA-N 2 0 253.390 1.398 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNC(N)=[NH2+])c1C ZINC000915049143 631635126 /nfs/dbraw/zinc/63/51/26/631635126.db2.gz OCOIQSBQIVOFGH-CQSZACIVSA-N 2 0 290.415 1.406 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430250 1162473736 /nfs/dbraw/zinc/47/37/36/1162473736.db2.gz QFFPVWBSWKRHLR-HNNXBMFYSA-N 2 0 279.428 1.675 20 30 CDEDRP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001755287601 1159822768 /nfs/dbraw/zinc/82/27/68/1159822768.db2.gz GMIFXPYEAHNWAI-UHFFFAOYSA-N 2 0 281.444 1.424 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)c1cccc(-n2ccnc2)c1 ZINC001170023011 1162038897 /nfs/dbraw/zinc/03/88/97/1162038897.db2.gz NDZJXYJOEJTERW-UHFFFAOYSA-N 2 0 282.347 1.215 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001113345663 1162158588 /nfs/dbraw/zinc/15/85/88/1162158588.db2.gz BBZMSGFRVNBTKW-HUUCEWRRSA-N 2 0 279.428 1.295 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001133191782 1163602893 /nfs/dbraw/zinc/60/28/93/1163602893.db2.gz SYNIGQBPNTVZSX-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001133276185 1163623799 /nfs/dbraw/zinc/62/37/99/1163623799.db2.gz ZTGRZIZTOODQLU-CVEARBPZSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845986 1163931072 /nfs/dbraw/zinc/93/10/72/1163931072.db2.gz RGXPBHWPRFMPSY-CYBMUJFWSA-N 2 0 253.390 1.000 20 30 CDEDRP CC[C@@H](C(=O)NCC[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001133982820 1163997226 /nfs/dbraw/zinc/99/72/26/1163997226.db2.gz OKHXEDRNRCCVBF-HNNXBMFYSA-N 2 0 288.395 1.104 20 30 CDEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001690849130 1175589225 /nfs/dbraw/zinc/58/92/25/1175589225.db2.gz UAYLUUGHDPGWLM-HNNXBMFYSA-N 2 0 291.439 1.370 20 30 CDEDRP C=CCCC[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001725006402 1181822245 /nfs/dbraw/zinc/82/22/45/1181822245.db2.gz AFXDBGDBPCWGDZ-AWEZNQCLSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001752686776 1184893476 /nfs/dbraw/zinc/89/34/76/1184893476.db2.gz AGUYWPPEKZRMFK-RBSFLKMASA-N 2 0 279.428 1.530 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)CCC ZINC001753601764 1185263337 /nfs/dbraw/zinc/26/33/37/1185263337.db2.gz INHNITKLKIVYTK-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001754225090 1185515902 /nfs/dbraw/zinc/51/59/02/1185515902.db2.gz JLAUWLBRGUJKER-CQSZACIVSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001754544453 1185664863 /nfs/dbraw/zinc/66/48/63/1185664863.db2.gz VHFLXQAHUDNGNP-CABCVRRESA-N 2 0 291.439 1.580 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001754612324 1185683752 /nfs/dbraw/zinc/68/37/52/1185683752.db2.gz PRCWPNGCPYWBOC-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001754621670 1185686976 /nfs/dbraw/zinc/68/69/76/1185686976.db2.gz YNMZVEMXOZVADU-HNNXBMFYSA-N 2 0 279.428 1.629 20 30 CDEDRP C#CC[NH+](C)[C@@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001755316132 1185913025 /nfs/dbraw/zinc/91/30/25/1185913025.db2.gz DPUKHXWMIUUZGE-XJKSGUPXSA-N 2 0 297.418 1.269 20 30 CDEDRP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001755358449 1185927131 /nfs/dbraw/zinc/92/71/31/1185927131.db2.gz OGFLXSJOFXZGPP-HZPDHXFCSA-N 2 0 293.455 1.759 20 30 CDEDRP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001755505717 1185973832 /nfs/dbraw/zinc/97/38/32/1185973832.db2.gz MMCWFNGKNLXWQK-HZPDHXFCSA-N 2 0 293.455 1.615 20 30 CDEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175262442 1164303818 /nfs/dbraw/zinc/30/38/18/1164303818.db2.gz HCFFYGIUDYUNIC-GJZGRUSLSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CC[N@@H+]1CCC[C@@H](Nc2cc[nH+]cc2C2CC2)C1 ZINC000884610408 828347309 /nfs/dbraw/zinc/34/73/09/828347309.db2.gz LOBADHMUKGVZLI-CQSZACIVSA-N 2 0 255.365 1.890 20 30 CDEDRP CCN(CC)C(=[NH2+])NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303771192 828350310 /nfs/dbraw/zinc/35/03/10/828350310.db2.gz CMOBNVBCVPSUJQ-BETUJISGSA-N 2 0 270.421 1.142 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001038632226 828358824 /nfs/dbraw/zinc/35/88/24/828358824.db2.gz XAXPBZGAWBSOJQ-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001018267714 828364832 /nfs/dbraw/zinc/36/48/32/828364832.db2.gz KWBULDYFPPNWCB-GASCZTMLSA-N 2 0 277.412 1.334 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001016692065 822671619 /nfs/dbraw/zinc/67/16/19/822671619.db2.gz ZIHMXNUPGYPZHL-CABCVRRESA-N 2 0 291.439 1.627 20 30 CDEDRP CC#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033927781 828478315 /nfs/dbraw/zinc/47/83/15/828478315.db2.gz PLGUTKLBKGQBOB-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)Cc2cncn2C)CC1 ZINC000997176826 823822273 /nfs/dbraw/zinc/82/22/73/823822273.db2.gz ATHKJOQENRFRGC-UHFFFAOYSA-N 2 0 276.384 1.119 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NCC[C@@H](C)[NH+]1CCCCC1 ZINC000305816410 823842951 /nfs/dbraw/zinc/84/29/51/823842951.db2.gz MLBFGGUCMUBXSX-CHWSQXEVSA-N 2 0 270.421 1.190 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000989634492 824005847 /nfs/dbraw/zinc/00/58/47/824005847.db2.gz DWFMVLKYBJSUFX-ZBFHGGJFSA-N 2 0 291.439 1.319 20 30 CDEDRP C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001032433165 824011389 /nfs/dbraw/zinc/01/13/89/824011389.db2.gz KSPGUAXQDKUWKJ-JYJNAYRXSA-N 2 0 289.423 1.169 20 30 CDEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001034403345 824032308 /nfs/dbraw/zinc/03/23/08/824032308.db2.gz WVGHQGYQGHUNIB-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C#Cc1ccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc1 ZINC000809787562 824050221 /nfs/dbraw/zinc/05/02/21/824050221.db2.gz HTMHOHJPDWBFNB-UHFFFAOYSA-N 2 0 287.451 1.983 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001034672849 824109093 /nfs/dbraw/zinc/10/90/93/824109093.db2.gz SCIXHADOACCMMS-RBSFLKMASA-N 2 0 279.428 1.674 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001052713257 824274659 /nfs/dbraw/zinc/27/46/59/824274659.db2.gz UJZFEWPVIMUGSS-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034139903 824276550 /nfs/dbraw/zinc/27/65/50/824276550.db2.gz WMHQCCSZHWPTIA-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001052253049 824314050 /nfs/dbraw/zinc/31/40/50/824314050.db2.gz YVYYAYRRBBHXIF-UONOGXRCSA-N 2 0 299.846 1.804 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001035851789 824328862 /nfs/dbraw/zinc/32/88/62/824328862.db2.gz XEQLFPNBGJSYLQ-UHFFFAOYSA-N 2 0 277.412 1.193 20 30 CDEDRP C#CC[NH2+][C@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC001055015130 824334758 /nfs/dbraw/zinc/33/47/58/824334758.db2.gz OEXIJRYTPZXOJR-JSGCOSHPSA-N 2 0 289.379 1.025 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001023761568 824348255 /nfs/dbraw/zinc/34/82/55/824348255.db2.gz CRUOQPYVYPPGRJ-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000996767812 824376904 /nfs/dbraw/zinc/37/69/04/824376904.db2.gz SMDBGJUCMYTKIG-UHFFFAOYSA-N 2 0 291.439 1.772 20 30 CDEDRP CCCCCCNC(=[NH2+])NCCN1CCC([NH+](C)C)CC1 ZINC000304676824 824505479 /nfs/dbraw/zinc/50/54/79/824505479.db2.gz DDFXQCTWPFYODC-UHFFFAOYSA-N 2 0 297.491 1.497 20 30 CDEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001040639114 824525071 /nfs/dbraw/zinc/52/50/71/824525071.db2.gz ZAADOSFIMKWYMJ-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001022838592 824565222 /nfs/dbraw/zinc/56/52/22/824565222.db2.gz SGACFSYVIVQBAG-FZKCQIBNSA-N 2 0 291.439 1.816 20 30 CDEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NCCCOCC)C1 ZINC000303898179 824632021 /nfs/dbraw/zinc/63/20/21/824632021.db2.gz VJYIHKABYJTTNO-CYBMUJFWSA-N 2 0 270.421 1.049 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006294112 824684359 /nfs/dbraw/zinc/68/43/59/824684359.db2.gz LMDFVRZIFMLXIN-AWEZNQCLSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001024366355 824696385 /nfs/dbraw/zinc/69/63/85/824696385.db2.gz QUBPTEWVIRKPHT-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001021051788 824755308 /nfs/dbraw/zinc/75/53/08/824755308.db2.gz PEURBJGFIMDXHA-HAQNSBGRSA-N 2 0 271.792 1.072 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001027410040 824801598 /nfs/dbraw/zinc/80/15/98/824801598.db2.gz SBMTZRVMEJTSHS-CVEARBPZSA-N 2 0 293.455 1.968 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(C2CC2)CC1 ZINC000130807396 824804722 /nfs/dbraw/zinc/80/47/22/824804722.db2.gz DBINNYZUQIKYNT-ZDUSSCGKSA-N 2 0 264.417 1.565 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001031919264 828698252 /nfs/dbraw/zinc/69/82/52/828698252.db2.gz QEYPJMBSECHZJY-INIZCTEOSA-N 2 0 291.439 1.180 20 30 CDEDRP C=C(C)CN1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001043198103 824835722 /nfs/dbraw/zinc/83/57/22/824835722.db2.gz CIXWZKVEZKIWQS-INIZCTEOSA-N 2 0 293.455 1.826 20 30 CDEDRP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001026516365 824863058 /nfs/dbraw/zinc/86/30/58/824863058.db2.gz ZLXJSRJJLBVKSC-YMAMQOFZSA-N 2 0 277.412 1.121 20 30 CDEDRP COCCNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000066242733 824898167 /nfs/dbraw/zinc/89/81/67/824898167.db2.gz MWYICLRQJANEEQ-AWEZNQCLSA-N 2 0 284.448 1.438 20 30 CDEDRP C[NH+]=C(NC[C@H](CC(C)C)[NH+]1CCCC1)NC1CC1 ZINC000303394725 824905955 /nfs/dbraw/zinc/90/59/55/824905955.db2.gz GOJUVNQEYMDETE-AWEZNQCLSA-N 2 0 266.433 1.824 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048723316 825049512 /nfs/dbraw/zinc/04/95/12/825049512.db2.gz BCUPITAIZMZZPT-ZNMIVQPWSA-N 2 0 277.412 1.047 20 30 CDEDRP C#CCN1CCC[C@@H](NC(=O)NCC[N@@H+](C)[C@H](C)CC)C1 ZINC000884128508 825051042 /nfs/dbraw/zinc/05/10/42/825051042.db2.gz GGEYGGQGPUFYQM-HUUCEWRRSA-N 2 0 294.443 1.114 20 30 CDEDRP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001028591166 825055067 /nfs/dbraw/zinc/05/50/67/825055067.db2.gz FJUJSBHUQVJTRR-JKSUJKDBSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023489968 825107112 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C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027884656 826476074 /nfs/dbraw/zinc/47/60/74/826476074.db2.gz NWZRGYRAVUNVSM-HUUCEWRRSA-N 2 0 277.412 1.095 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000999704885 826780896 /nfs/dbraw/zinc/78/08/96/826780896.db2.gz CFHWDHVOSNUIRX-UHFFFAOYSA-N 2 0 297.830 1.414 20 30 CDEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001072815425 826809344 /nfs/dbraw/zinc/80/93/44/826809344.db2.gz YIBWSNVKMUDONN-HNNXBMFYSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001007368212 826814825 /nfs/dbraw/zinc/81/48/25/826814825.db2.gz NCOLEIGJEFPUJH-HZSPNIEDSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[N@H+]1CC=C(CNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001000948634 826823709 /nfs/dbraw/zinc/82/37/09/826823709.db2.gz XICCRHQXSURRGG-UHFFFAOYSA-N 2 0 296.374 1.882 20 30 CDEDRP C#CC[NH+]1CCC(N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001006183244 826834006 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CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262019980 827077331 /nfs/dbraw/zinc/07/73/31/827077331.db2.gz YOJVKBMEWUFLQA-SFDCQRBFSA-N 2 0 278.444 1.680 20 30 CDEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001016972974 827153427 /nfs/dbraw/zinc/15/34/27/827153427.db2.gz ZUCWQXZXUMEITM-OAHLLOKOSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CCC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000883186972 827153983 /nfs/dbraw/zinc/15/39/83/827153983.db2.gz CVLZLYYDANBPBD-ULQDDVLXSA-N 2 0 295.471 1.726 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CCC[N@@H+](C)C[C@H]1CC ZINC000846987412 827165171 /nfs/dbraw/zinc/16/51/71/827165171.db2.gz GDKJMPUUTMCAPW-CYBMUJFWSA-N 2 0 253.390 1.047 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001036113942 827180875 /nfs/dbraw/zinc/18/08/75/827180875.db2.gz VUFIBDZYLCKQNT-CJNGLKHVSA-N 2 0 298.390 1.961 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001027461806 827203544 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C=CCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001007787023 827682546 /nfs/dbraw/zinc/68/25/46/827682546.db2.gz MTQIUXJANRYRLV-HNNXBMFYSA-N 2 0 291.439 1.772 20 30 CDEDRP C=CCN1CC(N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001043598537 827804575 /nfs/dbraw/zinc/80/45/75/827804575.db2.gz HCGXJBQCOIWWCT-CQSZACIVSA-N 2 0 279.428 1.437 20 30 CDEDRP CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001032455965 827815054 /nfs/dbraw/zinc/81/50/54/827815054.db2.gz GMGJUXMFXKDQNO-JYJNAYRXSA-N 2 0 289.423 1.169 20 30 CDEDRP C=C(Cl)CN1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033662241 827818789 /nfs/dbraw/zinc/81/87/89/827818789.db2.gz PLFNEJDMAAPGSZ-CHWSQXEVSA-N 2 0 285.819 1.223 20 30 CDEDRP C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](C)C ZINC001032633387 827842765 /nfs/dbraw/zinc/84/27/65/827842765.db2.gz MYEZDLQPIFPFEF-IHRRRGAJSA-N 2 0 265.401 1.188 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC12CCC(CC1)C2 ZINC000261854792 828004680 /nfs/dbraw/zinc/00/46/80/828004680.db2.gz YLYMMGYXFVGGAY-BBBYJDLNSA-N 2 0 278.444 1.955 20 30 CDEDRP CCCCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000303874337 828037588 /nfs/dbraw/zinc/03/75/88/828037588.db2.gz DAGIYPVISJDUQU-CHWSQXEVSA-N 2 0 254.422 1.811 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001028553011 828047315 /nfs/dbraw/zinc/04/73/15/828047315.db2.gz YOQSZDYUMSRMDF-OWCLPIDISA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001052712286 828213774 /nfs/dbraw/zinc/21/37/74/828213774.db2.gz GPZWZPROIOHFFV-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001036091084 828229847 /nfs/dbraw/zinc/22/98/47/828229847.db2.gz JZVXWYFVXIFUHT-HUUCEWRRSA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001022369273 828232497 /nfs/dbraw/zinc/23/24/97/828232497.db2.gz DBLKSBJBFYYCNI-OKILXGFUSA-N 2 0 284.363 1.761 20 30 CDEDRP C=CCN(CC=C)C(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091847688 828245621 /nfs/dbraw/zinc/24/56/21/828245621.db2.gz GUIXYNYRXNXXDG-UHFFFAOYSA-N 2 0 265.401 1.389 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001003547251 828292183 /nfs/dbraw/zinc/29/21/83/828292183.db2.gz KCAKVPMFTJOMQV-UHFFFAOYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038518525 828310141 /nfs/dbraw/zinc/31/01/41/828310141.db2.gz CSKPXBRTKKQMLF-HNNXBMFYSA-N 2 0 284.363 1.715 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC001574848546 1167640107 /nfs/dbraw/zinc/64/01/07/1167640107.db2.gz ARWVWHPSUZEQSF-UHFFFAOYSA-N 2 0 295.814 1.745 20 30 CDEDRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCC(C)(C#N)CC1 ZINC001173592551 912636971 /nfs/dbraw/zinc/63/69/71/912636971.db2.gz STMDTPKVNPRASW-OWYJLGKBSA-N 2 0 280.416 1.292 20 30 CDEDRP C=CC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992415660 913154443 /nfs/dbraw/zinc/15/44/43/913154443.db2.gz MZMJGHJQQNDLDV-YQQAZPJKSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CCNCC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC001121991505 913316899 /nfs/dbraw/zinc/31/68/99/913316899.db2.gz SISDHZAYYSHYHI-MRXNPFEDSA-N 2 0 285.391 1.163 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175265486 913519197 /nfs/dbraw/zinc/51/91/97/913519197.db2.gz YKTZGHITWYDNGA-CVEARBPZSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001167236006 894927368 /nfs/dbraw/zinc/92/73/68/894927368.db2.gz FSAGMTVFHVLLDD-GJZGRUSLSA-N 2 0 293.455 1.636 20 30 CDEDRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC#Cc2ccccc2)C1 ZINC001176071135 913918629 /nfs/dbraw/zinc/91/86/29/913918629.db2.gz CJVLPOIHCYXUGJ-KRWDZBQOSA-N 2 0 299.418 1.086 20 30 CDEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176185314 913982479 /nfs/dbraw/zinc/98/24/79/913982479.db2.gz WSJJWZHIBLYCLI-CQSZACIVSA-N 2 0 279.428 1.533 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089336877 914032026 /nfs/dbraw/zinc/03/20/26/914032026.db2.gz ZDKJFXXWZUAFPE-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCSC(F)(F)F ZINC000170905203 898947278 /nfs/dbraw/zinc/94/72/78/898947278.db2.gz UMJYVUZURWCOKI-VIFPVBQESA-N 2 0 298.378 1.628 20 30 CDEDRP C=C(C)COc1ccccc1CN(CC[NH3+])CC[NH3+] ZINC001235877360 914339269 /nfs/dbraw/zinc/33/92/69/914339269.db2.gz OMDWIKFWSNPFKC-UHFFFAOYSA-N 2 0 263.385 1.361 20 30 CDEDRP C=CCOCC[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176931187 914362038 /nfs/dbraw/zinc/36/20/38/914362038.db2.gz VFLQDVYAQFTNEF-UHFFFAOYSA-N 2 0 297.443 1.161 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001104924109 899677345 /nfs/dbraw/zinc/67/73/45/899677345.db2.gz GWXLVMCVNPYVMC-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C#CCN1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000993612176 914376905 /nfs/dbraw/zinc/37/69/05/914376905.db2.gz JPLBBNBNQBRDIJ-BBRMVZONSA-N 2 0 296.374 1.550 20 30 CDEDRP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001088011402 906124867 /nfs/dbraw/zinc/12/48/67/906124867.db2.gz LSZTVZUJIUYVAD-OWCLPIDISA-N 2 0 291.439 1.130 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001088201650 906437020 /nfs/dbraw/zinc/43/70/20/906437020.db2.gz MQPVVRGQUUMUSU-CVEARBPZSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001100993031 908757370 /nfs/dbraw/zinc/75/73/70/908757370.db2.gz TWVQTILBQHTTLE-UHFFFAOYSA-N 2 0 293.455 1.923 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092505432 909437114 /nfs/dbraw/zinc/43/71/14/909437114.db2.gz QKHWHNSYIVUYNA-RBSFLKMASA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092509997 909438000 /nfs/dbraw/zinc/43/80/00/909438000.db2.gz NFVJJIMOCGDCQY-KFWWJZLASA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001094577378 910670366 /nfs/dbraw/zinc/67/03/66/910670366.db2.gz HWLJOSCKKOGKMN-ZMSDIMECSA-N 2 0 291.439 1.485 20 30 CDEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCN(CC[NH3+])CC1 ZINC001172294823 911593594 /nfs/dbraw/zinc/59/35/94/911593594.db2.gz NJVWENOSMVNGMR-AWEZNQCLSA-N 2 0 272.396 1.066 20 30 CDEDRP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001484176050 915491150 /nfs/dbraw/zinc/49/11/50/915491150.db2.gz ZVKJNOXQQGXJRZ-DOTOQJQBSA-N 2 0 295.471 1.977 20 30 CDEDRP C=C(C)C[NH2+]CCCCCCNC(=O)C[NH+]1CCCC1 ZINC001180274525 916236887 /nfs/dbraw/zinc/23/68/87/916236887.db2.gz IQSKSINZUHAIRB-UHFFFAOYSA-N 2 0 281.444 1.925 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183165360 918351826 /nfs/dbraw/zinc/35/18/26/918351826.db2.gz YPJFIJVSSJJPQG-HLLBOEOZSA-N 2 0 293.455 1.588 20 30 CDEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107551092 918446873 /nfs/dbraw/zinc/44/68/73/918446873.db2.gz WYWOIGLFGGFATA-ZMSDIMECSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001184555935 919192335 /nfs/dbraw/zinc/19/23/35/919192335.db2.gz NEGIDNUKCRAOCJ-GJZGRUSLSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001185448168 919631419 /nfs/dbraw/zinc/63/14/19/919631419.db2.gz WIDMUPOSEXMOMZ-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001185548272 919648785 /nfs/dbraw/zinc/64/87/85/919648785.db2.gz KZTXWHHZEGDOCZ-CVEARBPZSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001185680647 919724358 /nfs/dbraw/zinc/72/43/58/919724358.db2.gz GDXNQDUMEAAUTD-HZPDHXFCSA-N 2 0 291.439 1.180 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001168653191 919995776 /nfs/dbraw/zinc/99/57/76/919995776.db2.gz MHYBAZYKWLTMMN-HNNXBMFYSA-N 2 0 281.444 1.472 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190444620 921998496 /nfs/dbraw/zinc/99/84/96/921998496.db2.gz RPXCPLVLMNMVIR-KBPBESRZSA-N 2 0 285.407 1.385 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001128544765 922004034 /nfs/dbraw/zinc/00/40/34/922004034.db2.gz QHJYGNWORPKYMT-ZDUSSCGKSA-N 2 0 273.396 1.338 20 30 CDEDRP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001190897984 922285411 /nfs/dbraw/zinc/28/54/11/922285411.db2.gz AIMMRKSMTGJAGQ-LSDHHAIUSA-N 2 0 297.443 1.062 20 30 CDEDRP Cc1nc(N[C@@H]([NH3+])CCC[NH3+])c(Cl)cc1C#N ZINC001159788492 938753341 /nfs/dbraw/zinc/75/33/41/938753341.db2.gz JAFVUWICXGSNET-SNVBAGLBSA-N 2 0 253.737 1.351 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099529364 936790409 /nfs/dbraw/zinc/79/04/09/936790409.db2.gz OTQVTXQONZVVIT-JJXSEGSLSA-N 2 0 291.439 1.293 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001192316632 923004955 /nfs/dbraw/zinc/00/49/55/923004955.db2.gz PJXSLHZHPITODU-CABCVRRESA-N 2 0 281.444 1.826 20 30 CDEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194037261 924022711 /nfs/dbraw/zinc/02/27/11/924022711.db2.gz FPBOQKKBDUPQNL-OAHLLOKOSA-N 2 0 279.428 1.581 20 30 CDEDRP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001079687382 924402072 /nfs/dbraw/zinc/40/20/72/924402072.db2.gz OKOWBMROSHANOB-BZUAXINKSA-N 2 0 291.439 1.319 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001080442539 924569177 /nfs/dbraw/zinc/56/91/77/924569177.db2.gz DPNTWJQOMQTFQJ-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001082742851 924991750 /nfs/dbraw/zinc/99/17/50/924991750.db2.gz UQTXRFIFSDGWNF-RRFJBIMHSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084630694 925309307 /nfs/dbraw/zinc/30/93/07/925309307.db2.gz QOZAOHFVGLEMNX-HZPDHXFCSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001152452202 925430571 /nfs/dbraw/zinc/43/05/71/925430571.db2.gz WPYYTPREBWLYSX-GJZGRUSLSA-N 2 0 281.444 1.921 20 30 CDEDRP C[NH+](C)CCC(=O)N1CCC([C@@H]2CCCN2CC#N)CC1 ZINC001230591513 925505716 /nfs/dbraw/zinc/50/57/16/925505716.db2.gz ALMDJMGDFNUKGH-HNNXBMFYSA-N 2 0 292.427 1.165 20 30 CDEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048538 937039175 /nfs/dbraw/zinc/03/91/75/937039175.db2.gz FZRUDNRWFFQMRI-FVQBIDKESA-N 2 0 291.439 1.034 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085422202 925942100 /nfs/dbraw/zinc/94/21/00/925942100.db2.gz KWTSSEVRBPITNC-MGPQQGTHSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001202353906 926543246 /nfs/dbraw/zinc/54/32/46/926543246.db2.gz SYQKACAOKABUBJ-OAHLLOKOSA-N 2 0 281.444 1.729 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001086278363 926930032 /nfs/dbraw/zinc/93/00/32/926930032.db2.gz SQSHJFIGQUBFDA-QLFBSQMISA-N 2 0 279.428 1.531 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001086327081 926998288 /nfs/dbraw/zinc/99/82/88/926998288.db2.gz OOHMOHMTGUZXJX-AVGNSLFASA-N 2 0 285.819 1.318 20 30 CDEDRP C[C@]1(C#N)CC[N@@H+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256696880 937183008 /nfs/dbraw/zinc/18/30/08/937183008.db2.gz OROYKIGHSOIJME-UYSNPLJNSA-N 2 0 277.412 1.865 20 30 CDEDRP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001150351211 937228678 /nfs/dbraw/zinc/22/86/78/937228678.db2.gz VKSJUBYRSDFLGC-CABCVRRESA-N 2 0 297.443 1.110 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001202495908 928609146 /nfs/dbraw/zinc/60/91/46/928609146.db2.gz KVQKHPWTMXDBLI-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC001252482295 928620959 /nfs/dbraw/zinc/62/09/59/928620959.db2.gz KKLDPCDFGHMNDQ-MRXNPFEDSA-N 2 0 278.396 1.401 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001110715275 928636049 /nfs/dbraw/zinc/63/60/49/928636049.db2.gz TYZZPLMPCSYYFT-SYQHCUMBSA-N 2 0 265.401 1.234 20 30 CDEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109406148 928921956 /nfs/dbraw/zinc/92/19/56/928921956.db2.gz PMICJYXLLGCKKN-UGUYLWEFSA-N 2 0 289.423 1.071 20 30 CDEDRP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001109417729 928928685 /nfs/dbraw/zinc/92/86/85/928928685.db2.gz LJKQDHGVFCYUST-FZKCQIBNSA-N 2 0 289.423 1.216 20 30 CDEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001115306014 937346549 /nfs/dbraw/zinc/34/65/49/937346549.db2.gz HGMZVUNVABQFSI-FXUDXRNXSA-N 2 0 291.439 1.339 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583436 929798369 /nfs/dbraw/zinc/79/83/69/929798369.db2.gz KJTJPHCJPZKYPN-KBPBESRZSA-N 2 0 281.444 1.920 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135297400 930134593 /nfs/dbraw/zinc/13/45/93/930134593.db2.gz BAPQLSKHGWJUQB-KBPBESRZSA-N 2 0 281.444 1.777 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135996841 930594341 /nfs/dbraw/zinc/59/43/41/930594341.db2.gz WLCLZPPBIIZKIX-LSDHHAIUSA-N 2 0 281.444 1.615 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001154093422 937502464 /nfs/dbraw/zinc/50/24/64/937502464.db2.gz ZSRQWQIWNNYEMC-ZIAGYGMSSA-N 2 0 290.411 1.458 20 30 CDEDRP C[C@]1(C[NH3+])CCC[N@@H+]([C@@H]2CCN[C@H](C#N)C2)CC1 ZINC001246576234 931913241 /nfs/dbraw/zinc/91/32/41/931913241.db2.gz JKJMUECXKLYETM-MJBXVCDLSA-N 2 0 250.390 1.081 20 30 CDEDRP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001275710458 931972088 /nfs/dbraw/zinc/97/20/88/931972088.db2.gz TWOFNYMUHYYHPQ-CQSZACIVSA-N 2 0 283.460 1.833 20 30 CDEDRP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC001275829335 932072810 /nfs/dbraw/zinc/07/28/10/932072810.db2.gz WXFPCBVVOCPZAP-HDICACEKSA-N 2 0 298.434 1.768 20 30 CDEDRP N#CCC1CCC([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246638783 932157369 /nfs/dbraw/zinc/15/73/69/932157369.db2.gz TWRJEBDXSZNFJK-NRXISQOPSA-N 2 0 262.401 1.096 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)Cc1[nH]cnc1C ZINC001149124980 932563518 /nfs/dbraw/zinc/56/35/18/932563518.db2.gz ZMSPXODEONANQX-NSHDSACASA-N 2 0 264.373 1.321 20 30 CDEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148747906 932786425 /nfs/dbraw/zinc/78/64/25/932786425.db2.gz DFLAUPQSLKNZDH-OAHLLOKOSA-N 2 0 291.439 1.439 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092272586 932931062 /nfs/dbraw/zinc/93/10/62/932931062.db2.gz GNJHEKKILJESEN-UXLLHSPISA-N 2 0 291.439 1.295 20 30 CDEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110994017 933416417 /nfs/dbraw/zinc/41/64/17/933416417.db2.gz KTWJBLJFLZOQDL-LVQVYYBASA-N 2 0 291.439 1.317 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001095766769 934395580 /nfs/dbraw/zinc/39/55/80/934395580.db2.gz RSDVOLUTSREIIK-KBMXLJTQSA-N 2 0 296.374 1.855 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001121924250 937891151 /nfs/dbraw/zinc/89/11/51/937891151.db2.gz YYCQNDXWEMHEKD-MCIONIFRSA-N 2 0 267.417 1.659 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])C[C@@H](C)CC)CC1 ZINC001121998373 937897564 /nfs/dbraw/zinc/89/75/64/937897564.db2.gz XLHMCOJRBCWJHH-GXTWGEPZSA-N 2 0 267.417 1.517 20 30 CDEDRP C#CC[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC001122018716 937899403 /nfs/dbraw/zinc/89/94/03/937899403.db2.gz UPEOXIZLBIIJCL-CQSZACIVSA-N 2 0 291.782 1.036 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001122020216 937899717 /nfs/dbraw/zinc/89/97/17/937899717.db2.gz FFZLTSOQQCFISN-CABCVRRESA-N 2 0 279.428 1.518 20 30 CDEDRP N#Cc1c[nH]c2c1cccc2C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001157173634 938462397 /nfs/dbraw/zinc/46/23/97/938462397.db2.gz HLKALAVCBALPHF-UHFFFAOYSA-N 2 0 298.350 1.114 20 30 CDEDRP C[NH+]1CCC(N(c2ccc(C#N)cn2)C2CC[NH2+]CC2)CC1 ZINC001158575341 938639315 /nfs/dbraw/zinc/63/93/15/938639315.db2.gz MMGORYBJEBVESS-UHFFFAOYSA-N 2 0 299.422 1.606 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158866950 938673365 /nfs/dbraw/zinc/67/33/65/938673365.db2.gz VBSLROMKBQTOHN-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001159838917 938756492 /nfs/dbraw/zinc/75/64/92/938756492.db2.gz QSGZPMOMUOTBHR-HNNXBMFYSA-N 2 0 279.428 1.084 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001160951375 938847436 /nfs/dbraw/zinc/84/74/36/938847436.db2.gz IYHBBSJPJTXRCO-UHFFFAOYSA-N 2 0 297.443 1.017 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412951 938901499 /nfs/dbraw/zinc/90/14/99/938901499.db2.gz MWUMCSIEFDQWOC-YJNKXOJESA-N 2 0 279.428 1.646 20 30 CDEDRP C#CCC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001161755026 938930543 /nfs/dbraw/zinc/93/05/43/938930543.db2.gz HXKLCINBAACNHR-UHFFFAOYSA-N 2 0 291.439 1.490 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166668350 939624968 /nfs/dbraw/zinc/62/49/68/939624968.db2.gz ZPHHIAPRVZALOP-LLVKDONJSA-N 2 0 273.808 1.177 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001166751499 939635597 /nfs/dbraw/zinc/63/55/97/939635597.db2.gz SUYIKNKZHMWSMU-UHFFFAOYSA-N 2 0 289.423 1.443 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001203877547 939711007 /nfs/dbraw/zinc/71/10/07/939711007.db2.gz XESTVOXCQPWTMO-UHFFFAOYSA-N 2 0 291.439 1.466 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001203902224 939712242 /nfs/dbraw/zinc/71/22/42/939712242.db2.gz DLFWDVLPMYOUOW-INIZCTEOSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001203902226 939712304 /nfs/dbraw/zinc/71/23/04/939712304.db2.gz DLFWDVLPMYOUOW-MRXNPFEDSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001205516233 939895681 /nfs/dbraw/zinc/89/56/81/939895681.db2.gz UOHFMDSDMDXXJJ-OAHLLOKOSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCn1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cn1 ZINC001205618447 939909096 /nfs/dbraw/zinc/90/90/96/939909096.db2.gz WDRWMLBUJRHZHH-HIFRSBDPSA-N 2 0 262.401 1.876 20 30 CDEDRP C=CCC[C@H](C)[NH2+]C[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001258722926 945392592 /nfs/dbraw/zinc/39/25/92/945392592.db2.gz WNQIGFWBISRDOB-DGAVXFQQSA-N 2 0 256.390 1.656 20 30 CDEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001209668730 940624524 /nfs/dbraw/zinc/62/45/24/940624524.db2.gz HVLZOLVEVQDIJL-CABCVRRESA-N 2 0 297.443 1.110 20 30 CDEDRP Cc1c(C)n(-c2cc[nH+]c(N3CC[NH2+]CC3)c2)c(N)c1C#N ZINC001210262015 940675537 /nfs/dbraw/zinc/67/55/37/940675537.db2.gz NHMGQJBWHBYLDT-UHFFFAOYSA-N 2 0 296.378 1.353 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426607 940690085 /nfs/dbraw/zinc/69/00/85/940690085.db2.gz JBDRYZFGSYKETM-HUUCEWRRSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001214905064 940844620 /nfs/dbraw/zinc/84/46/20/940844620.db2.gz WVKHZQIZRRCQOX-KFWWJZLASA-N 2 0 281.444 1.585 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001215473474 940888571 /nfs/dbraw/zinc/88/85/71/940888571.db2.gz AYYZPHNKZAKREI-RBSFLKMASA-N 2 0 279.428 1.032 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215540774 940893184 /nfs/dbraw/zinc/89/31/84/940893184.db2.gz PRYZHYMJHXZNFC-RBSFLKMASA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001216510871 940943046 /nfs/dbraw/zinc/94/30/46/940943046.db2.gz BRQJMWJAYDNMPB-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001217933743 941030348 /nfs/dbraw/zinc/03/03/48/941030348.db2.gz NQGCZKFIVZTWPU-KHMAMNHCSA-N 2 0 266.385 1.077 20 30 CDEDRP N#CCc1cccc(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001218988363 941298062 /nfs/dbraw/zinc/29/80/62/941298062.db2.gz UTNZMKALHZEHCT-OAHLLOKOSA-N 2 0 298.390 1.565 20 30 CDEDRP CC(C)C[C@](C)(C#N)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221292934 941513758 /nfs/dbraw/zinc/51/37/58/941513758.db2.gz WNKJJXDYIBNVCM-UKRRQHHQSA-N 2 0 292.427 1.305 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221366846 941522674 /nfs/dbraw/zinc/52/26/74/941522674.db2.gz UPMLOXFWSJROFR-FRRDWIJNSA-N 2 0 271.380 1.266 20 30 CDEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222014209 941557812 /nfs/dbraw/zinc/55/78/12/941557812.db2.gz WTWQVNHRLMIWAK-BZUAXINKSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001223597442 941687579 /nfs/dbraw/zinc/68/75/79/941687579.db2.gz KXZDHYFNHDTTJM-OAHLLOKOSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001223707669 941692839 /nfs/dbraw/zinc/69/28/39/941692839.db2.gz XDHXZMGSMAEBON-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001224560416 941770990 /nfs/dbraw/zinc/77/09/90/941770990.db2.gz SXQPHZCFRLVBRV-HNNXBMFYSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001227796799 942226014 /nfs/dbraw/zinc/22/60/14/942226014.db2.gz APPDTGRLJTUHRX-HNNXBMFYSA-N 2 0 279.428 1.483 20 30 CDEDRP C[NH+](C)CCN1CC2(C1)CC[NH+](CCCC#N)CC2 ZINC001277944838 944152926 /nfs/dbraw/zinc/15/29/26/944152926.db2.gz BSNMDQBVELQDRL-UHFFFAOYSA-N 2 0 264.417 1.250 20 30 CDEDRP N#CC1CCC([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CC1 ZINC001246557982 948267619 /nfs/dbraw/zinc/26/76/19/948267619.db2.gz NHISELYIAURVIM-MOENNCHZSA-N 2 0 257.328 1.985 20 30 CDEDRP N#CC1CCC([NH+]2CCN(CCC[NH3+])CC2)CC1 ZINC001256957751 948463106 /nfs/dbraw/zinc/46/31/06/948463106.db2.gz CXLRZBBMNXJTGI-UHFFFAOYSA-N 2 0 250.390 1.035 20 30 CDEDRP N#CCC1C[NH+](CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254029807 952172404 /nfs/dbraw/zinc/17/24/04/952172404.db2.gz PPOISEOTXBXWRR-UHFFFAOYSA-N 2 0 299.418 1.859 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)c2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001326014083 954185814 /nfs/dbraw/zinc/18/58/14/954185814.db2.gz QVUVHJWRWOIZFG-UHFFFAOYSA-N 2 0 299.418 1.713 20 30 CDEDRP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317380326 956241459 /nfs/dbraw/zinc/24/14/59/956241459.db2.gz AUEPMQRKHYWSEL-HUUCEWRRSA-N 2 0 279.428 1.273 20 30 CDEDRP C=CCOCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001331489466 957097753 /nfs/dbraw/zinc/09/77/53/957097753.db2.gz LPROVWXMGVEADA-CABCVRRESA-N 2 0 297.443 1.110 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001426230677 957853146 /nfs/dbraw/zinc/85/31/46/957853146.db2.gz NOKLFMKWOUFTOT-UHFFFAOYSA-N 2 0 299.846 1.660 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001368581836 958982019 /nfs/dbraw/zinc/98/20/19/958982019.db2.gz SYQILFRDBOLWHC-JOCQHMNTSA-N 2 0 287.835 1.565 20 30 CDEDRP C=CCC[C@@H](O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001334336453 959038308 /nfs/dbraw/zinc/03/83/08/959038308.db2.gz CBCIUKSUIJRKMA-CQSZACIVSA-N 2 0 252.402 1.779 20 30 CDEDRP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001495208191 972437202 /nfs/dbraw/zinc/43/72/02/972437202.db2.gz BQPYMDOABYKAMD-ZDUSSCGKSA-N 2 0 299.846 1.709 20 30 CDEDRP Cc1ccc(OC[C@@H](O)C[NH2+]CC#CC[NH+](C)C)c(C)c1 ZINC001336770381 960567537 /nfs/dbraw/zinc/56/75/37/960567537.db2.gz IGUWLZZBMRJKFT-INIZCTEOSA-N 2 0 290.407 1.198 20 30 CDEDRP C#CC[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC001340033833 962697356 /nfs/dbraw/zinc/69/73/56/962697356.db2.gz OERPJRIUHXPJDA-UHFFFAOYSA-N 2 0 299.418 1.298 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC001340128680 962763394 /nfs/dbraw/zinc/76/33/94/962763394.db2.gz NYLNGODOSOQHRE-TZMCWYRMSA-N 2 0 288.395 1.520 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001340471193 962951264 /nfs/dbraw/zinc/95/12/64/962951264.db2.gz IYOVVSUDLAGVKT-AGIUHOORSA-N 2 0 253.390 1.113 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C12CC(C1)C[NH2+]2)C(C)C ZINC001341555480 963461779 /nfs/dbraw/zinc/46/17/79/963461779.db2.gz KEXSNQWCWIHLKQ-ISXOHVOVSA-N 2 0 291.439 1.553 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])C2CCCCC2)CC1 ZINC001349474908 966358701 /nfs/dbraw/zinc/35/87/01/966358701.db2.gz ZIYWQBDMIPZHRK-HNNXBMFYSA-N 2 0 279.428 1.661 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001100459305 968412022 /nfs/dbraw/zinc/41/20/22/968412022.db2.gz ZXAJZMAEZVAZTQ-UHFFFAOYSA-N 2 0 267.417 1.387 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001401869793 975962400 /nfs/dbraw/zinc/96/24/00/975962400.db2.gz MLYAZTCVBQDYAG-STQMWFEESA-N 2 0 287.835 1.564 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001390710661 976448392 /nfs/dbraw/zinc/44/83/92/976448392.db2.gz GKCLMWJDUXACSK-OLZOCXBDSA-N 2 0 289.851 1.810 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001381212627 976720241 /nfs/dbraw/zinc/72/02/41/976720241.db2.gz AQZCFJRNSUHLRN-RYUDHWBXSA-N 2 0 275.824 1.564 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]cn2)CC[C@H]1C ZINC001132874083 1163498180 /nfs/dbraw/zinc/49/81/80/1163498180.db2.gz DKRJRRKXUPTHFS-ZIAGYGMSSA-N 2 0 290.411 1.603 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@]2(C)C[C@H]([NH3+])CCO2)CC1 ZINC001574836845 1171021518 /nfs/dbraw/zinc/02/15/18/1171021518.db2.gz VIUMVUZGVGWDOF-CZUORRHYSA-N 2 0 295.427 1.040 20 30 CDEDRP C=CCO[C@@H]1CC[N@@H+](CCC2([NH3+])CCOCC2)C1 ZINC001574942590 1171057125 /nfs/dbraw/zinc/05/71/25/1171057125.db2.gz CCIFBNMQHFFCBY-CYBMUJFWSA-N 2 0 254.374 1.161 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000591577145 342637775 /nfs/dbraw/zinc/63/77/75/342637775.db2.gz NRMUIVKQRALHOV-QGZVFWFLSA-N 2 0 284.407 1.474 20 30 CDEDRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@@H](C#N)CCC#N)C2)CC1 ZINC000591736726 342645015 /nfs/dbraw/zinc/64/50/15/342645015.db2.gz KLUCYJFKACIUNH-CABCVRRESA-N 2 0 289.427 1.188 20 30 CDEDRP C[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C[NH+]1CCCCC1 ZINC000594441571 342907387 /nfs/dbraw/zinc/90/73/87/342907387.db2.gz STQMRXDMRZDQEY-HUUCEWRRSA-N 2 0 294.443 1.636 20 30 CDEDRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598595500 343840455 /nfs/dbraw/zinc/84/04/55/343840455.db2.gz ONPDVFPVDMJSBX-HOTGVXAUSA-N 2 0 293.455 1.951 20 30 CDEDRP CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000598714698 343881032 /nfs/dbraw/zinc/88/10/32/343881032.db2.gz IPQQRVZEPIXYPJ-RDBSUJKOSA-N 2 0 265.401 1.504 20 30 CDEDRP C[C@H](CCC#N)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000602590540 344480059 /nfs/dbraw/zinc/48/00/59/344480059.db2.gz VXHLSBFQXNOTBD-CQSZACIVSA-N 2 0 266.433 1.542 20 30 CDEDRP C[C@H](C[NH2+]Cc1cccc(C#N)c1)N1CC[NH+](C)CC1 ZINC000105466257 186058549 /nfs/dbraw/zinc/05/85/49/186058549.db2.gz WJORLSUBXBVAHK-CQSZACIVSA-N 2 0 272.396 1.284 20 30 CDEDRP N#Cc1cccc(NC(=O)CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000603910545 350327610 /nfs/dbraw/zinc/32/76/10/350327610.db2.gz UAOGFFNEELNOGK-ZIAGYGMSSA-N 2 0 284.363 1.038 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000264132105 362975054 /nfs/dbraw/zinc/97/50/54/362975054.db2.gz UJNGTQVBWQZUHQ-UHFFFAOYSA-N 2 0 264.373 1.764 20 30 CDEDRP CN(C)C(=[NH+]Cc1ccc(OCC[NH+](C)C)cc1)N(C)C ZINC000264134885 362975608 /nfs/dbraw/zinc/97/56/08/362975608.db2.gz VANVKUFSAOUUKG-UHFFFAOYSA-N 2 0 292.427 1.606 20 30 CDEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000110650330 365112981 /nfs/dbraw/zinc/11/29/81/365112981.db2.gz ZJGOCEIVLGFAOX-ZDUSSCGKSA-N 2 0 265.401 1.246 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000358295382 367580499 /nfs/dbraw/zinc/58/04/99/367580499.db2.gz DSEHQTMHXNQLPI-AWEZNQCLSA-N 2 0 296.459 1.666 20 30 CDEDRP N#Cc1csc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000304656527 374073752 /nfs/dbraw/zinc/07/37/52/374073752.db2.gz RYXSWRKXISDQKF-CQSZACIVSA-N 2 0 293.436 1.946 20 30 CDEDRP COc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)ccc1C#N ZINC000414918040 374222254 /nfs/dbraw/zinc/22/22/54/374222254.db2.gz RQEQVPDLHWBWNQ-AWEZNQCLSA-N 2 0 259.353 1.799 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)CC2CC[NH2+]CC2)CC1 ZINC000236659297 375970521 /nfs/dbraw/zinc/97/05/21/375970521.db2.gz GXAZPZHTOMJLDH-UHFFFAOYSA-N 2 0 265.401 1.143 20 30 CDEDRP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420341933 376332217 /nfs/dbraw/zinc/33/22/17/376332217.db2.gz OXLWRCNLOBYSKM-HOTGVXAUSA-N 2 0 291.439 1.509 20 30 CDEDRP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420341932 376332554 /nfs/dbraw/zinc/33/25/54/376332554.db2.gz OXLWRCNLOBYSKM-CVEARBPZSA-N 2 0 291.439 1.509 20 30 CDEDRP Cn1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1C#N ZINC000446883891 250320757 /nfs/dbraw/zinc/32/07/57/250320757.db2.gz KSYHMPTZIGSBRH-UHFFFAOYSA-N 2 0 272.396 1.861 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)C#N ZINC000347140340 285280600 /nfs/dbraw/zinc/28/06/00/285280600.db2.gz SQJHDONJYDLHFD-KGLIPLIRSA-N 2 0 280.416 1.021 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000356264986 391242755 /nfs/dbraw/zinc/24/27/55/391242755.db2.gz NKQMYLCFUJACMY-ZDUSSCGKSA-N 2 0 281.444 1.920 20 30 CDEDRP C=CCN(C)CC[N@@H+](CC)CCN1CCOC[C@H]1C ZINC000411652673 391495036 /nfs/dbraw/zinc/49/50/36/391495036.db2.gz XLRVPRKBASINKW-OAHLLOKOSA-N 2 0 269.433 1.147 20 30 CDEDRP [NH2+]=C(NC[C@H]1CCCC[N@@H+]1C1CC1)Nc1ccccn1 ZINC000262794611 391823043 /nfs/dbraw/zinc/82/30/43/391823043.db2.gz NHUOOXBVHWSRLF-CYBMUJFWSA-N 2 0 273.384 1.825 20 30 CDEDRP CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000423175443 392958489 /nfs/dbraw/zinc/95/84/89/392958489.db2.gz AMCCULIOOLWYBO-KRWDZBQOSA-N 2 0 286.423 1.894 20 30 CDEDRP N#Cc1ccc(N2CCC([NH2+]C[C@H]([NH3+])C3CC3)CC2)cc1 ZINC000423321631 392962868 /nfs/dbraw/zinc/96/28/68/392962868.db2.gz NFXUFJCYHLKPSP-KRWDZBQOSA-N 2 0 284.407 1.854 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)C(C)C ZINC000662681933 413301525 /nfs/dbraw/zinc/30/15/25/413301525.db2.gz NTSDHKWFLUNXPD-RBSFLKMASA-N 2 0 279.428 1.539 20 30 CDEDRP C=CCCn1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)nn1 ZINC000657492695 414394698 /nfs/dbraw/zinc/39/46/98/414394698.db2.gz ZKMNXDMQKBMFPI-AWEZNQCLSA-N 2 0 277.416 1.676 20 30 CDEDRP C=CCNC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290066 414618280 /nfs/dbraw/zinc/61/82/80/414618280.db2.gz HUDBAMFRHNLQHB-AWEZNQCLSA-N 2 0 265.401 1.000 20 30 CDEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000333562038 228204512 /nfs/dbraw/zinc/20/45/12/228204512.db2.gz LCTLRSRZJIOKLK-GZBLMMOJSA-N 2 0 263.385 1.425 20 30 CDEDRP CN(C)C(=[NH2+])NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000170914983 261451188 /nfs/dbraw/zinc/45/11/88/261451188.db2.gz AWVXFOHPFRNSKW-UHFFFAOYSA-N 2 0 278.400 1.393 20 30 CDEDRP CC(C)(CNC(=[NH2+])Nc1ccccn1)C[NH+]1CCCC1 ZINC000276723053 263037973 /nfs/dbraw/zinc/03/79/73/263037973.db2.gz ZSIBBTVMVRAORE-UHFFFAOYSA-N 2 0 275.400 1.930 20 30 CDEDRP C[NH+]=C(NCc1cccn1C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261946579 328143235 /nfs/dbraw/zinc/14/32/35/328143235.db2.gz GAFQLDCJBSKVCL-SWLSCSKDSA-N 2 0 289.427 1.173 20 30 CDEDRP C[NH+]=C(NCc1ccoc1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262022542 328143789 /nfs/dbraw/zinc/14/37/89/328143789.db2.gz ZCBYTHZVZDHLSC-SMDDNHRTSA-N 2 0 276.384 1.427 20 30 CDEDRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185713307 329330479 /nfs/dbraw/zinc/33/04/79/329330479.db2.gz MMEFEGZBEXABCN-JKSUJKDBSA-N 2 0 278.444 1.686 20 30 CDEDRP CC(C)[C@@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)N1CC[NH+](C)CC1 ZINC000185773072 329331613 /nfs/dbraw/zinc/33/16/13/329331613.db2.gz ABRYRAFXLKQKMQ-GVDBMIGSSA-N 2 0 292.471 1.930 20 30 CDEDRP C[NH+]=C(NCC[NH+]1CCCCC1)N1CC[C@@]2(CCOC2)C1 ZINC000261656905 329974863 /nfs/dbraw/zinc/97/48/63/329974863.db2.gz AGGCJRKOVIICPI-MRXNPFEDSA-N 2 0 294.443 1.160 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(C)CCOCC1 ZINC000262196364 330001685 /nfs/dbraw/zinc/00/16/85/330001685.db2.gz ZHVKJVVGFCXAJW-ZDUSSCGKSA-N 2 0 282.432 1.192 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000262532818 330019893 /nfs/dbraw/zinc/01/98/93/330019893.db2.gz OMZMNLHBHUSVHM-AAVRWANBSA-N 2 0 294.443 1.189 20 30 CDEDRP CSC1(CNC(=[NH2+])NC2CCC2)CC[NH+](C)CC1 ZINC000263086055 330042787 /nfs/dbraw/zinc/04/27/87/330042787.db2.gz IHTSNPMRPHGNSF-UHFFFAOYSA-N 2 0 270.446 1.271 20 30 CDEDRP CC1(C)CCC[N@@H+]1CCNC(=[NH2+])N1CCSCC1 ZINC000263178259 330047730 /nfs/dbraw/zinc/04/77/30/330047730.db2.gz SZPOBYJLQZCATG-UHFFFAOYSA-N 2 0 270.446 1.224 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000424187822 330321111 /nfs/dbraw/zinc/32/11/11/330321111.db2.gz BLISUIFFTMKNNM-LSDHHAIUSA-N 2 0 286.379 1.181 20 30 CDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000424385944 330349515 /nfs/dbraw/zinc/34/95/15/330349515.db2.gz WZNZGXAFTHNHET-GCSSGZNBSA-N 2 0 280.412 1.324 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(CC)CCC[NH+](C)C)CC1 ZINC000490712214 332107045 /nfs/dbraw/zinc/10/70/45/332107045.db2.gz DHKWJARBLVVXGT-UHFFFAOYSA-N 2 0 279.428 1.132 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000490971736 332134433 /nfs/dbraw/zinc/13/44/33/332134433.db2.gz DBXZLAYCXHKBRM-UHFFFAOYSA-N 2 0 289.423 1.100 20 30 CDEDRP C#CC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000491692040 332288670 /nfs/dbraw/zinc/28/86/70/332288670.db2.gz HPKIWWXIDNGPEX-GJZGRUSLSA-N 2 0 294.443 1.066 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C[C@H]1CC[NH2+]C1)C(C)C ZINC000130458103 333843171 /nfs/dbraw/zinc/84/31/71/333843171.db2.gz SNKMFGRHHQXYFY-CVEARBPZSA-N 2 0 293.455 1.801 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481098202 1159521966 /nfs/dbraw/zinc/52/19/66/1159521966.db2.gz STNBHAVIQMANMN-GJZGRUSLSA-N 2 0 281.444 1.587 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001753105451 1185064462 /nfs/dbraw/zinc/06/44/62/1185064462.db2.gz CWRIFZCQGUHXBE-KGLIPLIRSA-N 2 0 285.407 1.433 20 30 CDEDRP C#CCC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001755837131 1186085128 /nfs/dbraw/zinc/08/51/28/1186085128.db2.gz JLKMUWIVRHYPTB-AWEZNQCLSA-N 2 0 279.428 1.226 20 30 CDEDRP CC[C@@H](CC#N)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000328599452 522464389 /nfs/dbraw/zinc/46/43/89/522464389.db2.gz SEBWXYKZDILMKD-HNNXBMFYSA-N 2 0 266.433 1.684 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000352729903 526590656 /nfs/dbraw/zinc/59/06/56/526590656.db2.gz DKJUXVDXKYKTGO-UHFFFAOYSA-N 2 0 294.443 1.420 20 30 CDEDRP C#CCC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975049406 613036982 /nfs/dbraw/zinc/03/69/82/613036982.db2.gz KUFPQTFFPOLRBB-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCN1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970529833 613117518 /nfs/dbraw/zinc/11/75/18/613117518.db2.gz TWFLWTBXQUWGDD-GDBMZVCRSA-N 2 0 291.439 1.319 20 30 CDEDRP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948388853 613178395 /nfs/dbraw/zinc/17/83/95/613178395.db2.gz LDMPOEDKXSIPQT-OWCLPIDISA-N 2 0 291.439 1.273 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977481024 613341205 /nfs/dbraw/zinc/34/12/05/613341205.db2.gz XUGPVLDBOPWYNJ-AWEZNQCLSA-N 2 0 291.439 1.485 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000948246126 613557942 /nfs/dbraw/zinc/55/79/42/613557942.db2.gz VSKYOIGKGAKSFM-HZPDHXFCSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000961594330 613565135 /nfs/dbraw/zinc/56/51/35/613565135.db2.gz DWELZTHDEQWFJZ-RFBLXINOSA-N 2 0 291.439 1.339 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947935940 613740841 /nfs/dbraw/zinc/74/08/41/613740841.db2.gz SDHUAIMYTMKYGJ-ZIAGYGMSSA-N 2 0 277.412 1.237 20 30 CDEDRP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968188157 613766919 /nfs/dbraw/zinc/76/69/19/613766919.db2.gz BJZWQSSHQRKFIB-ZFWWWQNUSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982808577 613822826 /nfs/dbraw/zinc/82/28/26/613822826.db2.gz PEQZFGDLNNAKCG-CALCHBBNSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCc2cc(N)cc[nH+]2)CC1 ZINC000891522483 617458880 /nfs/dbraw/zinc/45/88/80/617458880.db2.gz QJKDACRAIDDLER-UHFFFAOYSA-N 2 0 289.383 1.113 20 30 CDEDRP C[NH+](C)CCN1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC000892545498 617493163 /nfs/dbraw/zinc/49/31/63/617493163.db2.gz NYGLAVLZYKGPMI-UHFFFAOYSA-N 2 0 285.435 1.654 20 30 CDEDRP CC#CC[C@@H](CO)NCc1ncc(CN(C)C)s1 ZINC000883157141 619842209 /nfs/dbraw/zinc/84/22/09/619842209.db2.gz OGLDGDMUPPXXPI-NSHDSACASA-N 2 0 267.398 1.069 20 30 CDEDRP C=CCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903147695 625874065 /nfs/dbraw/zinc/87/40/65/625874065.db2.gz RPNRHRICKKENSW-LQDVMPOASA-N 2 0 250.386 1.936 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000913522915 630514942 /nfs/dbraw/zinc/51/49/42/630514942.db2.gz FHPNWEKCSDKQAV-DLBZAZTESA-N 2 0 299.418 1.013 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001167232538 1158545723 /nfs/dbraw/zinc/54/57/23/1158545723.db2.gz GRIYRLLNCHDZGN-HNNXBMFYSA-N 2 0 293.455 1.780 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130869766 1162737874 /nfs/dbraw/zinc/73/78/74/1162737874.db2.gz FPLMRGXMTQMXLW-UHFFFAOYSA-N 2 0 272.352 1.620 20 30 CDEDRP C=C(C)C[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CCOC ZINC001755839566 1160622841 /nfs/dbraw/zinc/62/28/41/1160622841.db2.gz SQGNVKZNHDQAFR-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ncc[nH]1 ZINC001115013368 1162090016 /nfs/dbraw/zinc/09/00/16/1162090016.db2.gz KYQOEDWFHRHINZ-FOCJUVANSA-N 2 0 288.395 1.353 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040481 1163540672 /nfs/dbraw/zinc/54/06/72/1163540672.db2.gz SRHZRYYLASVROS-CYBMUJFWSA-N 2 0 255.406 1.389 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001133274167 1163622550 /nfs/dbraw/zinc/62/25/50/1163622550.db2.gz CJJTZSZSZSVLRN-LSDHHAIUSA-N 2 0 279.428 1.036 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135706118 1164169373 /nfs/dbraw/zinc/16/93/73/1164169373.db2.gz PBDQNGGHCSXHQR-ZIAGYGMSSA-N 2 0 269.433 1.777 20 30 CDEDRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1nc(C#N)cs1 ZINC001579454646 1172183409 /nfs/dbraw/zinc/18/34/09/1172183409.db2.gz RTSWYNRCJDEVHQ-NXEZZACHSA-N 2 0 250.371 1.350 20 30 CDEDRP C=CC[NH2+][C@@H](C)CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001714476007 1179160139 /nfs/dbraw/zinc/16/01/39/1179160139.db2.gz VBFRMRWWQUVINO-AWEZNQCLSA-N 2 0 297.443 1.015 20 30 CDEDRP C=CCCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001731355003 1182336566 /nfs/dbraw/zinc/33/65/66/1182336566.db2.gz VLOWURRAKRTHTN-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001752155591 1184826124 /nfs/dbraw/zinc/82/61/24/1184826124.db2.gz FQRDKRGWGNTXAX-CABCVRRESA-N 2 0 279.428 1.321 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001752806991 1184918972 /nfs/dbraw/zinc/91/89/72/1184918972.db2.gz WLVKSDOOAZFRDR-HOTGVXAUSA-N 2 0 291.439 1.180 20 30 CDEDRP CC#CC[NH2+]C1CCC(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001752853081 1184933879 /nfs/dbraw/zinc/93/38/79/1184933879.db2.gz ABLSMWNPZWVWPD-UHFFFAOYSA-N 2 0 279.428 1.369 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001752864704 1184939333 /nfs/dbraw/zinc/93/93/33/1184939333.db2.gz XBWXUADOHLBQQA-STQMWFEESA-N 2 0 253.390 1.141 20 30 CDEDRP C#CC[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001752889900 1184951879 /nfs/dbraw/zinc/95/18/79/1184951879.db2.gz CGHWDAOXAZNNFX-CQSZACIVSA-N 2 0 279.428 1.226 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001752956892 1184976150 /nfs/dbraw/zinc/97/61/50/1184976150.db2.gz WECUPRTUTHXNCX-MRXNPFEDSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CC[NH2+][C@H](C)CCNC(=O)c1sccc1C[NH+](C)C ZINC001753007221 1184991544 /nfs/dbraw/zinc/99/15/44/1184991544.db2.gz FVDXEBFLQJAAKR-GFCCVEGCSA-N 2 0 293.436 1.541 20 30 CDEDRP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001753587750 1185260073 /nfs/dbraw/zinc/26/00/73/1185260073.db2.gz MPRPWFZSSHIXNR-KKUMJFAQSA-N 2 0 279.428 1.531 20 30 CDEDRP C=C(C)C[NH2+]C/C=C\CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001754173036 1185492398 /nfs/dbraw/zinc/49/23/98/1185492398.db2.gz FUHOSLNTBAXAFH-WSNITJDQSA-N 2 0 265.401 1.166 20 30 CDEDRP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001754182146 1185495995 /nfs/dbraw/zinc/49/59/95/1185495995.db2.gz PBRBVTYEAYOAEC-MSNYOWOLSA-N 2 0 291.439 1.841 20 30 CDEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001754656939 1185694124 /nfs/dbraw/zinc/69/41/24/1185694124.db2.gz XKIKKIKIWQNWPB-JKSUJKDBSA-N 2 0 291.439 1.226 20 30 CDEDRP CC#CC[N@H+](C)[C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001755328707 1185919634 /nfs/dbraw/zinc/91/96/34/1185919634.db2.gz SKCNNJGUXSZGFH-HNNXBMFYSA-N 2 0 279.428 1.322 20 30 CDEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001755851452 1186090144 /nfs/dbraw/zinc/09/01/44/1186090144.db2.gz XJEIBDSISPQRQD-HNNXBMFYSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC001341584457 963473351 /nfs/dbraw/zinc/47/33/51/963473351.db2.gz FPAMVKCOQOBOSK-QWHCGFSZSA-N 2 0 253.390 1.223 20 30 CDEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)C1 ZINC000303895403 833081850 /nfs/dbraw/zinc/08/18/50/833081850.db2.gz PLIFBNWPGGJMNB-OLZOCXBDSA-N 2 0 252.406 1.375 20 30 CDEDRP C=CC[N@H+]1CCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001073453840 833302628 /nfs/dbraw/zinc/30/26/28/833302628.db2.gz BEFOGNFATKRUHH-GJZGRUSLSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC000995921784 833304958 /nfs/dbraw/zinc/30/49/58/833304958.db2.gz YFHHQDCCZPNUBD-CQSZACIVSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2/C=C/C)CC1 ZINC000876756534 833313738 /nfs/dbraw/zinc/31/37/38/833313738.db2.gz UISQQGXKVGIBSA-UFYXKPLISA-N 2 0 277.412 1.165 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@@H](C[NH2+]CC)C2)CC1 ZINC001048480426 828868512 /nfs/dbraw/zinc/86/85/12/828868512.db2.gz TZPMBJMRUHCJKP-HOCLYGCPSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001074648987 828872636 /nfs/dbraw/zinc/87/26/36/828872636.db2.gz LMLBUVYBAMXRDU-KKUMJFAQSA-N 2 0 277.412 1.071 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000997009106 829121842 /nfs/dbraw/zinc/12/18/42/829121842.db2.gz HIUXACIXORPGJU-ZDUSSCGKSA-N 2 0 287.835 1.660 20 30 CDEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001039282215 829125058 /nfs/dbraw/zinc/12/50/58/829125058.db2.gz KEUIAKHTCDIZRV-WTXIUTQJSA-N 2 0 291.439 1.462 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001014709033 829252195 /nfs/dbraw/zinc/25/21/95/829252195.db2.gz YTRKZWQWPFRZPR-JKSUJKDBSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCN1CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000819022277 833391967 /nfs/dbraw/zinc/39/19/67/833391967.db2.gz HWKMTLLQDMWCBL-QGZVFWFLSA-N 2 0 285.391 1.832 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001054735746 833404417 /nfs/dbraw/zinc/40/44/17/833404417.db2.gz KEAYGOZRPLUFJP-CHWSQXEVSA-N 2 0 265.401 1.093 20 30 CDEDRP C[NH2+]Cc1ccccc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884013034 829559414 /nfs/dbraw/zinc/55/94/14/829559414.db2.gz ATMQPCQBWNMYAJ-XOYHFGRZSA-N 2 0 298.390 1.484 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001008300136 829673133 /nfs/dbraw/zinc/67/31/33/829673133.db2.gz VVKNIYRCZTXUHG-KKUMJFAQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)Cn2ccnc2C)CC1 ZINC001006405327 833446759 /nfs/dbraw/zinc/44/67/59/833446759.db2.gz DPOPJLVYWJOGOU-UHFFFAOYSA-N 2 0 276.384 1.300 20 30 CDEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NC[C@@H]2CCC[NH+]2CC)C1 ZINC000303873642 829709520 /nfs/dbraw/zinc/70/95/20/829709520.db2.gz GVEWPMRVVFLQNX-GJZGRUSLSA-N 3 0 295.475 1.107 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001026348024 829745556 /nfs/dbraw/zinc/74/55/56/829745556.db2.gz CGBKUAFBKXWBBJ-ARFHVFGLSA-N 2 0 291.439 1.341 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049726042 829810648 /nfs/dbraw/zinc/81/06/48/829810648.db2.gz BMHHUNCGVLSYHV-ARFHVFGLSA-N 2 0 291.439 1.415 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2cccc3nccn32)[C@H](C)C1 ZINC001044676282 829830979 /nfs/dbraw/zinc/83/09/79/829830979.db2.gz BDHPRHHQBVZKAT-ZIAGYGMSSA-N 2 0 296.374 1.550 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000996476858 829831928 /nfs/dbraw/zinc/83/19/28/829831928.db2.gz IDOQVNXSXUPBGE-GOEBONIOSA-N 2 0 291.439 1.627 20 30 CDEDRP CC(C)[C@@H](CNC(=[NH2+])N(C)C)[NH+]1CCC(C)CC1 ZINC000170912865 829895554 /nfs/dbraw/zinc/89/55/54/829895554.db2.gz HREHZGQCYOREKP-CYBMUJFWSA-N 2 0 254.422 1.619 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000849022818 829944566 /nfs/dbraw/zinc/94/45/66/829944566.db2.gz ZLKLVSMWTROPOH-CYBMUJFWSA-N 2 0 268.405 1.177 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000998190505 830416374 /nfs/dbraw/zinc/41/63/74/830416374.db2.gz QIDFBJVVPCJSQS-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001019299459 830475095 /nfs/dbraw/zinc/47/50/95/830475095.db2.gz PMMYVTUERCKQCH-ZDUSSCGKSA-N 2 0 277.368 1.331 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001015691457 830554934 /nfs/dbraw/zinc/55/49/34/830554934.db2.gz VAOYCNMKQLQBTA-OLZOCXBDSA-N 2 0 288.395 1.596 20 30 CDEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992482814 830558749 /nfs/dbraw/zinc/55/87/49/830558749.db2.gz YAMKDAWQDBSKPA-HLLBOEOZSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CCC[N@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071994086 830672007 /nfs/dbraw/zinc/67/20/07/830672007.db2.gz CGSYUZHANHDEMX-LSDHHAIUSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CCNC(=O)CC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000880517946 830789286 /nfs/dbraw/zinc/78/92/86/830789286.db2.gz ZJHGJHCFVHUZET-UHFFFAOYSA-N 2 0 279.428 1.324 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001008553489 833464176 /nfs/dbraw/zinc/46/41/76/833464176.db2.gz UOGSSNXVNBUBTM-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023750406 832090919 /nfs/dbraw/zinc/09/09/19/832090919.db2.gz LUSYDHXUIZJICQ-HOTGVXAUSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001019230103 832115646 /nfs/dbraw/zinc/11/56/46/832115646.db2.gz QHUJNLYUZOFWKA-ZDUSSCGKSA-N 2 0 299.846 1.804 20 30 CDEDRP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001027918058 832203493 /nfs/dbraw/zinc/20/34/93/832203493.db2.gz IUWKXLSROSMARG-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001000701323 833808212 /nfs/dbraw/zinc/80/82/12/833808212.db2.gz IKRMYRNQFBWJBD-CQSZACIVSA-N 2 0 277.412 1.239 20 30 CDEDRP C=CCC[C@H](O)CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000923350736 833811678 /nfs/dbraw/zinc/81/16/78/833811678.db2.gz NOYIVSZANBTIGE-HRCADAONSA-N 2 0 260.381 1.740 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C ZINC001032313982 832311911 /nfs/dbraw/zinc/31/19/11/832311911.db2.gz QXIBXBLSTXHXBG-SOUVJXGZSA-N 2 0 277.412 1.332 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028538796 832336385 /nfs/dbraw/zinc/33/63/85/832336385.db2.gz IWTBAFWJEBVNCY-ZBFHGGJFSA-N 2 0 291.439 1.342 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001054729747 832350586 /nfs/dbraw/zinc/35/05/86/832350586.db2.gz BNKKONBXSIWCRS-DGCLKSJQSA-N 2 0 299.846 1.660 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000985433723 833854625 /nfs/dbraw/zinc/85/46/25/833854625.db2.gz QDTOATKTZCHRTE-INIZCTEOSA-N 2 0 291.439 1.437 20 30 CDEDRP COCC#CCN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887133184 832462255 /nfs/dbraw/zinc/46/22/55/832462255.db2.gz WCJNPYCQALQXGC-AWEZNQCLSA-N 2 0 259.353 1.242 20 30 CDEDRP CC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001017640602 832511667 /nfs/dbraw/zinc/51/16/67/832511667.db2.gz WBEXFFZPICDTFF-XHSDSOJGSA-N 2 0 291.439 1.271 20 30 CDEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCCCC1 ZINC000304746128 832577100 /nfs/dbraw/zinc/57/71/00/832577100.db2.gz FOHFJKDNNQXHPR-ZDUSSCGKSA-N 2 0 252.406 1.661 20 30 CDEDRP CCCCCCCCNC(=[NH2+])NC[C@@H]1C[N@H+](C)CCN1C ZINC000849007909 832768977 /nfs/dbraw/zinc/76/89/77/832768977.db2.gz CIGWVXLKMOCGDF-OAHLLOKOSA-N 2 0 297.491 1.707 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC=C)C2)CC1 ZINC001016330330 832792307 /nfs/dbraw/zinc/79/23/07/832792307.db2.gz FYYNLWWKNAVHAQ-MRXNPFEDSA-N 2 0 289.423 1.098 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001000917750 832809661 /nfs/dbraw/zinc/80/96/61/832809661.db2.gz MGIJRXSMBQJRQY-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH2+]C1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001026560698 832832058 /nfs/dbraw/zinc/83/20/58/832832058.db2.gz BUSDFTSAADBYEX-WLYUNCDWSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001028579542 832869287 /nfs/dbraw/zinc/86/92/87/832869287.db2.gz GVDADPHLFKXYLU-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(CCOC)CCC1 ZINC000305048662 832877244 /nfs/dbraw/zinc/87/72/44/832877244.db2.gz BRRYXAACRNMDHC-CQSZACIVSA-N 2 0 296.459 1.582 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001072983346 833491087 /nfs/dbraw/zinc/49/10/87/833491087.db2.gz SIMHEOTUMHKNFR-OAHLLOKOSA-N 2 0 291.439 1.439 20 30 CDEDRP CC#CCN1CC(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001032205069 833603484 /nfs/dbraw/zinc/60/34/84/833603484.db2.gz NPRPZZMDIAFYAW-UHFFFAOYSA-N 2 0 299.418 1.433 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1CCCO1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261693247 833791927 /nfs/dbraw/zinc/79/19/27/833791927.db2.gz FKAMDGLFVQROPE-VHDGCEQUSA-N 2 0 294.443 1.203 20 30 CDEDRP C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033218992 834041327 /nfs/dbraw/zinc/04/13/27/834041327.db2.gz WFAYYIWTIRHRTA-CVEARBPZSA-N 2 0 291.439 1.273 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015059220 834051753 /nfs/dbraw/zinc/05/17/53/834051753.db2.gz PGUUTPHNWRWVJQ-GJZGRUSLSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001006408977 834066648 /nfs/dbraw/zinc/06/66/48/834066648.db2.gz XXPPRNMTLHDIOQ-UHFFFAOYSA-N 2 0 279.428 1.581 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC=C)C[C@@H]2C)CC1 ZINC000989828704 834119927 /nfs/dbraw/zinc/11/99/27/834119927.db2.gz HTVRVFFDROSBMD-GOEBONIOSA-N 2 0 289.423 1.097 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052935991 834125211 /nfs/dbraw/zinc/12/52/11/834125211.db2.gz XHZYHUXIAYKOAP-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033091409 834347978 /nfs/dbraw/zinc/34/79/78/834347978.db2.gz IRFNPTSHPIXRSA-BZUAXINKSA-N 2 0 293.455 1.826 20 30 CDEDRP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001027919133 834353597 /nfs/dbraw/zinc/35/35/97/834353597.db2.gz STKZFSFJKMOQON-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])NC[C@@H]1CCC[NH+]1CC ZINC000303968099 834764935 /nfs/dbraw/zinc/76/49/35/834764935.db2.gz AJGTWQORUHUITQ-KBPBESRZSA-N 3 0 283.464 1.105 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703683 834830894 /nfs/dbraw/zinc/83/08/94/834830894.db2.gz QNSPIWFCDXXFOA-HNNXBMFYSA-N 2 0 291.439 1.487 20 30 CDEDRP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000985438063 834846698 /nfs/dbraw/zinc/84/66/98/834846698.db2.gz JJXGCDWFGWCGCQ-GDBMZVCRSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076462085 834916400 /nfs/dbraw/zinc/91/64/00/834916400.db2.gz HNVKGXURSLAXNE-HRCADAONSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001045441415 835200741 /nfs/dbraw/zinc/20/07/41/835200741.db2.gz FGQGFXCPRGJNGW-HNNXBMFYSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000928658039 835584733 /nfs/dbraw/zinc/58/47/33/835584733.db2.gz JZCOQHOSQDCBDH-UHFFFAOYSA-N 2 0 299.418 1.576 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999280255 835604756 /nfs/dbraw/zinc/60/47/56/835604756.db2.gz VZQNZXLHKSQGBK-QQFBHYJXSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001566613169 1168356661 /nfs/dbraw/zinc/35/66/61/1168356661.db2.gz QIUOBBXMQYYGCQ-HNNXBMFYSA-N 2 0 279.428 1.273 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001106255219 913729044 /nfs/dbraw/zinc/72/90/44/913729044.db2.gz KHIJYRJWKLLDQG-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CCC=C)CC1 ZINC001039042814 894257884 /nfs/dbraw/zinc/25/78/84/894257884.db2.gz XFJOBKYOBFOWRE-MRXNPFEDSA-N 2 0 289.423 1.098 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001167236670 894929687 /nfs/dbraw/zinc/92/96/87/894929687.db2.gz OKQSKXJUFKYXSH-UONOGXRCSA-N 2 0 279.428 1.246 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176165427 913989367 /nfs/dbraw/zinc/98/93/67/913989367.db2.gz LHGXBWPMNAWUOC-GJZGRUSLSA-N 2 0 279.428 1.226 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001104676714 898872815 /nfs/dbraw/zinc/87/28/15/898872815.db2.gz VGVMOMTYQNTCON-BZUAXINKSA-N 2 0 291.439 1.178 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106839839 914418013 /nfs/dbraw/zinc/41/80/13/914418013.db2.gz POMFOWZLLSXQQB-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176998893 914424580 /nfs/dbraw/zinc/42/45/80/914424580.db2.gz KKOYJKWSOALGIM-OAHLLOKOSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001100887689 901013801 /nfs/dbraw/zinc/01/38/01/901013801.db2.gz NOJONFWNKRQEBJ-UHFFFAOYSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028780104 904089426 /nfs/dbraw/zinc/08/94/26/904089426.db2.gz DTCOGDDBESGLRY-AWEZNQCLSA-N 2 0 279.428 1.342 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001271254288 906211632 /nfs/dbraw/zinc/21/16/32/906211632.db2.gz MFDAPISPVYQCEO-HUUCEWRRSA-N 2 0 281.444 1.777 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001212462786 921235719 /nfs/dbraw/zinc/23/57/19/921235719.db2.gz JVZGSFJOGFDWCD-RBSFLKMASA-N 2 0 297.443 1.108 20 30 CDEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001088381747 907064457 /nfs/dbraw/zinc/06/44/57/907064457.db2.gz LJZHAALYTONQJG-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520305 909617604 /nfs/dbraw/zinc/61/76/04/909617604.db2.gz FNKVGXUEMGTLKT-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161795304 921621136 /nfs/dbraw/zinc/62/11/36/921621136.db2.gz BENZLOHLVVQDEH-UHFFFAOYSA-N 2 0 279.428 1.677 20 30 CDEDRP C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1CC[NH2+]CC1 ZINC001273029386 921676823 /nfs/dbraw/zinc/67/68/23/921676823.db2.gz CALWRAMOCMKWFV-HZPDHXFCSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178360959 915393029 /nfs/dbraw/zinc/39/30/29/915393029.db2.gz UAWSRTUTDUQLBV-KKUMJFAQSA-N 2 0 279.428 1.626 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)CC[NH+](C)C ZINC001179463682 915846177 /nfs/dbraw/zinc/84/61/77/915846177.db2.gz HHHQUYUWLCFGNR-UHFFFAOYSA-N 2 0 267.417 1.228 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001179585728 915913405 /nfs/dbraw/zinc/91/34/05/915913405.db2.gz JWODFUPLNOMFQG-OAHLLOKOSA-N 2 0 281.444 1.780 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[NH+](CC)CC)[C@H]1C ZINC001179743999 915961208 /nfs/dbraw/zinc/96/12/08/915961208.db2.gz BWSRHNAICPREDP-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179925798 916062446 /nfs/dbraw/zinc/06/24/46/916062446.db2.gz URHZDSDZPNDJID-XHSDSOJGSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)C[NH+]1CCCC1 ZINC001180274494 916238492 /nfs/dbraw/zinc/23/84/92/916238492.db2.gz HFRBRCCMSMRHHP-UHFFFAOYSA-N 2 0 279.428 1.372 20 30 CDEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001181931158 917481811 /nfs/dbraw/zinc/48/18/11/917481811.db2.gz URRLHKOHRDKZDK-BFYDXBDKSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530704 918438519 /nfs/dbraw/zinc/43/85/19/918438519.db2.gz HOEHAYNBISSLCY-GDBMZVCRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185073953 919409763 /nfs/dbraw/zinc/40/97/63/919409763.db2.gz VXUAHUSZJCIJTF-LSDHHAIUSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185213540 919483546 /nfs/dbraw/zinc/48/35/46/919483546.db2.gz LGNWYCASSYWIRN-CYBMUJFWSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001185361329 919546851 /nfs/dbraw/zinc/54/68/51/919546851.db2.gz YHKKQOGKWHYLTB-CVEARBPZSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)Cc2cncn2C)C[C@H]1C ZINC001185501978 919633677 /nfs/dbraw/zinc/63/36/77/919633677.db2.gz JYRIQYHJQBSRAB-ZIAGYGMSSA-N 2 0 290.411 1.223 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001185548375 919650278 /nfs/dbraw/zinc/65/02/78/919650278.db2.gz MCDZZTBTJRWHMI-HOTGVXAUSA-N 2 0 295.471 1.979 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001185683000 919702854 /nfs/dbraw/zinc/70/28/54/919702854.db2.gz VOUAOBQWPOGYAO-JKSUJKDBSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001185680271 919720792 /nfs/dbraw/zinc/72/07/92/919720792.db2.gz FNGHWUBBMOYKSM-GJZGRUSLSA-N 2 0 279.428 1.342 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001078718501 920426114 /nfs/dbraw/zinc/42/61/14/920426114.db2.gz QWIVJWRXXIDLRL-CABCVRRESA-N 2 0 291.439 1.531 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001078809579 920470650 /nfs/dbraw/zinc/47/06/50/920470650.db2.gz JUZAKXYQXWJZNZ-HUUCEWRRSA-N 2 0 291.439 1.675 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001190948600 922303952 /nfs/dbraw/zinc/30/39/52/922303952.db2.gz WJLHRJULWBSUPC-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001192354207 923026978 /nfs/dbraw/zinc/02/69/78/923026978.db2.gz JLQOORCIUWLAPD-GJZGRUSLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001100900111 936943915 /nfs/dbraw/zinc/94/39/15/936943915.db2.gz QPNQXUGIMPJPQW-UHFFFAOYSA-N 2 0 287.835 1.565 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001197921940 925269188 /nfs/dbraw/zinc/26/91/88/925269188.db2.gz AWKNRVULRTYEHI-UHFFFAOYSA-N 2 0 267.417 1.439 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001201327480 926265785 /nfs/dbraw/zinc/26/57/85/926265785.db2.gz OPYBQBQALLWVSQ-UHFFFAOYSA-N 2 0 279.428 1.321 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085968607 926552436 /nfs/dbraw/zinc/55/24/36/926552436.db2.gz MFXDDHDFSJMVMA-GJZGRUSLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085968606 926552492 /nfs/dbraw/zinc/55/24/92/926552492.db2.gz MFXDDHDFSJMVMA-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129327757 926856179 /nfs/dbraw/zinc/85/61/79/926856179.db2.gz IOOIVCWCJRDXKS-HNNXBMFYSA-N 2 0 281.444 1.636 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001086477066 927174461 /nfs/dbraw/zinc/17/44/61/927174461.db2.gz ROCGLWVESPRGSE-KBUPBQIOSA-N 2 0 279.428 1.245 20 30 CDEDRP C=C(C)C(=O)OCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169099747 927702752 /nfs/dbraw/zinc/70/27/52/927702752.db2.gz USKCLOBFNQUIDX-XYYAHUGASA-N 2 0 252.358 1.321 20 30 CDEDRP C=CC[NH+]1CCC[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169112887 927761455 /nfs/dbraw/zinc/76/14/55/927761455.db2.gz UHZHBFWVRXMRSE-FZKCQIBNSA-N 2 0 263.429 1.852 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864608 937246544 /nfs/dbraw/zinc/24/65/44/937246544.db2.gz YHGNGVLLASPOCH-RDJZCZTQSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]CCCC[NH+]1CCCC1 ZINC001252483525 928643521 /nfs/dbraw/zinc/64/35/21/928643521.db2.gz VJMIOIPOCLRCHG-CQSZACIVSA-N 2 0 256.390 1.016 20 30 CDEDRP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C(C)C)C2 ZINC001108830539 928655865 /nfs/dbraw/zinc/65/58/65/928655865.db2.gz PBHVSDVBEXAJLD-XHSDSOJGSA-N 2 0 291.439 1.319 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001108832802 928658378 /nfs/dbraw/zinc/65/83/78/928658378.db2.gz YQIZNDGOXKLESZ-ZNMIVQPWSA-N 2 0 279.428 1.482 20 30 CDEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001109068541 928780698 /nfs/dbraw/zinc/78/06/98/928780698.db2.gz ZPOQJYVBKXNSMO-FXUDXRNXSA-N 2 0 291.439 1.768 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152148469 937338856 /nfs/dbraw/zinc/33/88/56/937338856.db2.gz QELHMQFGJWMNKN-BETUJISGSA-N 2 0 253.390 1.141 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001112966430 929608954 /nfs/dbraw/zinc/60/89/54/929608954.db2.gz YFKMMVIOPJPIEA-GDBMZVCRSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152237839 937347482 /nfs/dbraw/zinc/34/74/82/937347482.db2.gz XYOBBOXTAFSIDW-UHFFFAOYSA-N 2 0 253.390 1.144 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583711 929798248 /nfs/dbraw/zinc/79/82/48/929798248.db2.gz NQDRKGPSKHZPDJ-ZIAGYGMSSA-N 2 0 279.428 1.367 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583437 929798539 /nfs/dbraw/zinc/79/85/39/929798539.db2.gz KJTJPHCJPZKYPN-KGLIPLIRSA-N 2 0 281.444 1.920 20 30 CDEDRP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135746075 930394344 /nfs/dbraw/zinc/39/43/44/930394344.db2.gz CVAGPAHKHJNPNZ-LSDHHAIUSA-N 2 0 299.459 1.404 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135882983 930502019 /nfs/dbraw/zinc/50/20/19/930502019.db2.gz WVKLTKHRTSZMDE-STQMWFEESA-N 2 0 255.406 1.387 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135935646 930549269 /nfs/dbraw/zinc/54/92/69/930549269.db2.gz VQENKHZFDMVAJK-STQMWFEESA-N 2 0 288.395 1.267 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135973748 930585758 /nfs/dbraw/zinc/58/57/58/930585758.db2.gz CWGCPHXAKLNKPO-GJZGRUSLSA-N 2 0 281.444 1.615 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001170876085 930597379 /nfs/dbraw/zinc/59/73/79/930597379.db2.gz BRLVAFCFOGIQJT-INIZCTEOSA-N 2 0 289.423 1.961 20 30 CDEDRP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+]2CCCCC#N)C1=O ZINC001274042450 931141436 /nfs/dbraw/zinc/14/14/36/931141436.db2.gz GXCVODLKAZIWAP-INIZCTEOSA-N 2 0 292.427 1.309 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167684 937512504 /nfs/dbraw/zinc/51/25/04/937512504.db2.gz POISRXBXALLCOK-OAHLLOKOSA-N 2 0 291.439 1.465 20 30 CDEDRP C[NH+](C)CCN1CCC12C[NH+](CCc1ccc(C#N)cc1)C2 ZINC001274920187 931610310 /nfs/dbraw/zinc/61/03/10/931610310.db2.gz DMUUJJNQYMBNAP-UHFFFAOYSA-N 2 0 298.434 1.422 20 30 CDEDRP N#CC1CCC([N@@H+]2CCCC[C@](O)(C[NH3+])C2)CC1 ZINC001246557890 931769258 /nfs/dbraw/zinc/76/92/58/931769258.db2.gz IWNYZNQCWCDNTE-RUXDESIVSA-N 2 0 251.374 1.244 20 30 CDEDRP C[C@]1(C[NH3+])CCC[N@@H+]([C@H]2CCN[C@H](C#N)C2)CC1 ZINC001246576230 931913051 /nfs/dbraw/zinc/91/30/51/931913051.db2.gz JKJMUECXKLYETM-IHRRRGAJSA-N 2 0 250.390 1.081 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171238685 932091727 /nfs/dbraw/zinc/09/17/27/932091727.db2.gz YGWSAPLJLUWDEM-AWEZNQCLSA-N 2 0 279.428 1.369 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146337545 932235630 /nfs/dbraw/zinc/23/56/30/932235630.db2.gz CYGKARBGYNXOTM-STQMWFEESA-N 2 0 287.835 1.708 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146383565 932248445 /nfs/dbraw/zinc/24/84/45/932248445.db2.gz JEEPBDHCWLSCQN-UHFFFAOYSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001147772730 932596999 /nfs/dbraw/zinc/59/69/99/932596999.db2.gz AYPHHXPOIIQXQG-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147825155 932614388 /nfs/dbraw/zinc/61/43/88/932614388.db2.gz PIVWLSIMYDBWPS-KBPBESRZSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226640 937651341 /nfs/dbraw/zinc/65/13/41/937651341.db2.gz MADSEFSDTZPWIE-HUUCEWRRSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)C[NH+](CC)CC)C2)C1 ZINC001121934991 937892130 /nfs/dbraw/zinc/89/21/30/937892130.db2.gz BIFMOLWRZJXGJV-UHFFFAOYSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC001122236173 937914555 /nfs/dbraw/zinc/91/45/55/937914555.db2.gz BTOZJGQNFUTWQA-CQSZACIVSA-N 2 0 276.384 1.447 20 30 CDEDRP C#C[C@](C)(N)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001157579955 938514578 /nfs/dbraw/zinc/51/45/78/938514578.db2.gz UIVFKPNBWITQDB-INIZCTEOSA-N 2 0 277.412 1.062 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001158073273 938580257 /nfs/dbraw/zinc/58/02/57/938580257.db2.gz MHEOZKIODWDKJL-UHFFFAOYSA-N 2 0 281.444 1.923 20 30 CDEDRP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001158773907 938662972 /nfs/dbraw/zinc/66/29/72/938662972.db2.gz VVTCCRDQUUYXDU-OAHLLOKOSA-N 2 0 279.428 1.274 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997582 938764408 /nfs/dbraw/zinc/76/44/08/938764408.db2.gz SNAQZKYSVUBACF-CQSZACIVSA-N 2 0 281.444 1.921 20 30 CDEDRP N#Cc1cnc2cc[nH]c(N[C@@]3(C[NH3+])C[NH+]4CCC3CC4)c1-2 ZINC001160512951 938793269 /nfs/dbraw/zinc/79/32/69/938793269.db2.gz HBJMOHFZSZZPQE-INIZCTEOSA-N 2 0 296.378 1.270 20 30 CDEDRP N#CCc1cncc(-n2cc(CC[NH3+])c3c[nH+]ccc32)n1 ZINC001160949696 938847902 /nfs/dbraw/zinc/84/79/02/938847902.db2.gz AUYDFSJIJQESRE-UHFFFAOYSA-N 2 0 278.319 1.383 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161051797 938865480 /nfs/dbraw/zinc/86/54/80/938865480.db2.gz BRXIMEOSZAGIFN-AWEZNQCLSA-N 2 0 267.417 1.533 20 30 CDEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161140062 938874830 /nfs/dbraw/zinc/87/48/30/938874830.db2.gz FPTNAQRCAAWIID-MRXNPFEDSA-N 2 0 293.455 1.897 20 30 CDEDRP N#Cc1cnc(NCCC[NH2+]CCCC[NH3+])c(Cl)c1 ZINC001162289168 938971929 /nfs/dbraw/zinc/97/19/29/938971929.db2.gz IAYNAPZFGQQELX-UHFFFAOYSA-N 2 0 281.791 1.737 20 30 CDEDRP C[Si](C)(C)C#C[NH2+]C[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163166049 939218557 /nfs/dbraw/zinc/21/85/57/939218557.db2.gz HWFSOADXMMMGMV-JHJVBQTASA-N 2 0 252.434 1.039 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001166707813 939629844 /nfs/dbraw/zinc/62/98/44/939629844.db2.gz JGLRLLAXUQPVHR-PWSUYJOCSA-N 2 0 273.808 1.033 20 30 CDEDRP C=CCCC[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166986618 939667713 /nfs/dbraw/zinc/66/77/13/939667713.db2.gz OSSPGGSSDNPHFK-UHFFFAOYSA-N 2 0 281.444 1.780 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203577493 939694191 /nfs/dbraw/zinc/69/41/91/939694191.db2.gz QKIWVSCYXVLMKP-UONOGXRCSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001203889143 939712122 /nfs/dbraw/zinc/71/21/22/939712122.db2.gz XZKMJLWKSYMNKI-UHFFFAOYSA-N 2 0 291.439 1.466 20 30 CDEDRP C[C@H]1CN(Cc2cc(F)c(C#N)c(F)c2)C[C@H]1C[NH3+] ZINC001205140854 939827333 /nfs/dbraw/zinc/82/73/33/939827333.db2.gz PRRUAZWIPDVMAZ-GXSJLCMTSA-N 2 0 265.307 1.863 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001205461425 939890684 /nfs/dbraw/zinc/89/06/84/939890684.db2.gz ITQQSHIXFSHIRN-INIZCTEOSA-N 2 0 291.439 1.178 20 30 CDEDRP N#Cc1cncc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205570921 939904446 /nfs/dbraw/zinc/90/44/46/939904446.db2.gz PTZZSQXJAUUUAW-CQSZACIVSA-N 2 0 262.332 1.606 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001206281185 940010812 /nfs/dbraw/zinc/01/08/12/940010812.db2.gz DRXOJPXHTVNTEE-GDBMZVCRSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207653037 940226662 /nfs/dbraw/zinc/22/66/62/940226662.db2.gz UWFJPCFYPVYCAT-OAGGEKHMSA-N 2 0 295.471 1.975 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001208334374 940320812 /nfs/dbraw/zinc/32/08/12/940320812.db2.gz JAUYZZMHEUHCMG-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209277758 940455333 /nfs/dbraw/zinc/45/53/33/940455333.db2.gz KYNVLCZHJZRAKW-ZDUSSCGKSA-N 2 0 299.846 1.661 20 30 CDEDRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000402251065 940892159 /nfs/dbraw/zinc/89/21/59/940892159.db2.gz IVULWNYLKSKMCA-MAZHCROVSA-N 2 0 273.380 1.651 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216755840 940964970 /nfs/dbraw/zinc/96/49/70/940964970.db2.gz GOGRXNIJFVCPDR-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP N#Cc1c(NC(=O)[C@H]([NH3+])CCC[NH3+])sc2c1CCC2 ZINC001218545672 941235038 /nfs/dbraw/zinc/23/50/38/941235038.db2.gz LIUCFKLUZSQHTK-SNVBAGLBSA-N 2 0 278.381 1.113 20 30 CDEDRP N#Cc1oc2ccccc2c1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218629135 941247782 /nfs/dbraw/zinc/24/77/82/941247782.db2.gz XQHLMNKCNPLQHF-LLVKDONJSA-N 2 0 296.330 1.052 20 30 CDEDRP C[C@H](C#N)c1ccc(NC(=O)[C@H]([NH3+])CCC[NH3+])cc1 ZINC001218871983 941282077 /nfs/dbraw/zinc/28/20/77/941282077.db2.gz ZAXFKRVYXULQLB-ZWNOBZJWSA-N 2 0 260.341 1.318 20 30 CDEDRP N#CCc1cc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)ccc1F ZINC001219518193 941351475 /nfs/dbraw/zinc/35/14/75/941351475.db2.gz AXXNHUZRMKMAJV-AWEZNQCLSA-N 2 0 290.342 1.157 20 30 CDEDRP N#CCc1cc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)ccc1F ZINC001219518194 941351537 /nfs/dbraw/zinc/35/15/37/941351537.db2.gz AXXNHUZRMKMAJV-CQSZACIVSA-N 2 0 290.342 1.157 20 30 CDEDRP C[C@H]1CC[C@H](NC(=O)C[C@@H]([NH3+])c2ccc(C#N)cc2)C[NH2+]1 ZINC001219586682 941360140 /nfs/dbraw/zinc/36/01/40/941360140.db2.gz AXKVFWKWAAPXMD-TUKIKUTGSA-N 2 0 286.379 1.205 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219640629 941368242 /nfs/dbraw/zinc/36/82/42/941368242.db2.gz BATKDBSVIIMIAQ-KKUMJFAQSA-N 2 0 281.444 1.812 20 30 CDEDRP C#CCN1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221817490 941553044 /nfs/dbraw/zinc/55/30/44/941553044.db2.gz VDEJHHSPMSRTTK-HUUCEWRRSA-N 2 0 291.439 1.130 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001223985271 941712157 /nfs/dbraw/zinc/71/21/57/941712157.db2.gz WXMTVJOLHACJAS-CVEARBPZSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001227987445 942252140 /nfs/dbraw/zinc/25/21/40/942252140.db2.gz ZQOKGIJKHOFOIG-CQSZACIVSA-N 2 0 267.417 1.483 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001228595297 942339960 /nfs/dbraw/zinc/33/99/60/942339960.db2.gz UOKWBVWJUYADKZ-ARFHVFGLSA-N 2 0 291.439 1.511 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001228602290 942340587 /nfs/dbraw/zinc/34/05/87/942340587.db2.gz HFTWEPAYPPDUOP-ARFHVFGLSA-N 2 0 291.439 1.369 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001230107570 942584946 /nfs/dbraw/zinc/58/49/46/942584946.db2.gz MAVLBQYWKHMPCK-UHFFFAOYSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001316614784 942625514 /nfs/dbraw/zinc/62/55/14/942625514.db2.gz IGQDFDBYHDPHPM-IMJJTQAJSA-N 2 0 291.439 1.389 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001316620372 942714771 /nfs/dbraw/zinc/71/47/71/942714771.db2.gz DEYRQDQQLYADNE-OKILXGFUSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235356756 944134670 /nfs/dbraw/zinc/13/46/70/944134670.db2.gz YQVHZVBMIWPKTD-CABCVRRESA-N 2 0 279.428 1.435 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001235510712 944181724 /nfs/dbraw/zinc/18/17/24/944181724.db2.gz COJFAHBEWSJUOM-JKSUJKDBSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CCOCc1nn(C)c2c1C[N@@H+](CCCC[NH3+])CC2 ZINC001235546585 944195131 /nfs/dbraw/zinc/19/51/31/944195131.db2.gz RLSUQVCDTDWIQI-UHFFFAOYSA-N 2 0 278.400 1.220 20 30 CDEDRP N#Cc1ccc2c(CN3C[C@@H]4CC[C@]4([NH3+])C3)c[nH]c2c1 ZINC001235990239 944353134 /nfs/dbraw/zinc/35/31/34/944353134.db2.gz MCEQROIFZQSIRX-BBRMVZONSA-N 2 0 266.348 1.963 20 30 CDEDRP C=CCc1cccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1O ZINC001235993774 944361756 /nfs/dbraw/zinc/36/17/56/944361756.db2.gz KBYIYZHNCBEKRI-XYPWUTKMSA-N 2 0 288.391 1.526 20 30 CDEDRP CC#Cc1cncc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001242942397 946941534 /nfs/dbraw/zinc/94/15/34/946941534.db2.gz ARUUZVROMSRZHQ-UHFFFAOYSA-N 2 0 278.359 1.925 20 30 CDEDRP CC[C@H](CC#N)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246145358 947986463 /nfs/dbraw/zinc/98/64/63/947986463.db2.gz MONBARIKEXOUBB-OLZOCXBDSA-N 2 0 250.390 1.142 20 30 CDEDRP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246597440 948334847 /nfs/dbraw/zinc/33/48/47/948334847.db2.gz WAKFYIYJYAKBPX-OAHLLOKOSA-N 2 0 298.434 1.517 20 30 CDEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001479895264 971474860 /nfs/dbraw/zinc/47/48/60/971474860.db2.gz HGZJXKSDXRSSFU-MRXNPFEDSA-N 2 0 293.455 1.519 20 30 CDEDRP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246724653 948418867 /nfs/dbraw/zinc/41/88/67/948418867.db2.gz WEMNOBWZNCWDFD-SJORKVTESA-N 2 0 294.439 1.812 20 30 CDEDRP C=CCOC[C@@H](O)C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001252467565 951311135 /nfs/dbraw/zinc/31/11/35/951311135.db2.gz FXNXUYIZMFVIEX-KRWDZBQOSA-N 2 0 296.455 1.604 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC001252493730 951367221 /nfs/dbraw/zinc/36/72/21/951367221.db2.gz SKLYYUNLQXILKV-HNNXBMFYSA-N 2 0 268.401 1.156 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@H](O)C(C)C)CC1 ZINC001253767977 952102539 /nfs/dbraw/zinc/10/25/39/952102539.db2.gz KDWGQHHPFHPHRT-KRWDZBQOSA-N 2 0 295.471 1.295 20 30 CDEDRP C#CCNC(=O)CC[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001336704366 960482496 /nfs/dbraw/zinc/48/24/96/960482496.db2.gz RHZYTDHWXLXSPN-UHFFFAOYSA-N 2 0 291.439 1.370 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001436347481 962202457 /nfs/dbraw/zinc/20/24/57/962202457.db2.gz RZXPFIVFWFTPAI-BETUJISGSA-N 2 0 299.846 1.708 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001419949395 962270395 /nfs/dbraw/zinc/27/03/95/962270395.db2.gz XQCKHNIDXVKXPL-STQMWFEESA-N 2 0 289.851 1.810 20 30 CDEDRP C=CCCC[NH2+]C1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001100404794 968255051 /nfs/dbraw/zinc/25/50/51/968255051.db2.gz VCNBSGGYYGSLCI-UHFFFAOYSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001100446193 968378265 /nfs/dbraw/zinc/37/82/65/968378265.db2.gz UCXYOENJLPOHPS-NRXISQOPSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132268669 1163220500 /nfs/dbraw/zinc/22/05/00/1163220500.db2.gz AJUQLFSILNKZOH-CABCVRRESA-N 2 0 279.428 1.321 20 30 CDEDRP C=CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001132436349 1163290722 /nfs/dbraw/zinc/29/07/22/1163290722.db2.gz KUNYURFEJZGPQL-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001132737488 1163458827 /nfs/dbraw/zinc/45/88/27/1163458827.db2.gz NLWRCWSHTHKZLU-CQSZACIVSA-N 2 0 267.417 1.390 20 30 CDEDRP C#CC[NH2+][C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001676175362 1174187291 /nfs/dbraw/zinc/18/72/91/1174187291.db2.gz FSKFRDWZWIEZKK-KGLIPLIRSA-N 2 0 267.417 1.080 20 30 CDEDRP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC001575452065 1171177055 /nfs/dbraw/zinc/17/70/55/1171177055.db2.gz BWQBXHOSEPYWRE-KBPBESRZSA-N 2 0 267.417 1.736 20 30 CDEDRP CN(Cc1cnc2c(C#N)cnn2c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000592497830 342697372 /nfs/dbraw/zinc/69/73/72/342697372.db2.gz AGPQXKSOKTTXJQ-CYBMUJFWSA-N 2 0 298.394 1.375 20 30 CDEDRP N#Cc1ccc(CC[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000595894988 343182821 /nfs/dbraw/zinc/18/28/21/343182821.db2.gz ABTAFOXBPOVJPU-QGZVFWFLSA-N 2 0 284.407 1.080 20 30 CDEDRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598596452 343841082 /nfs/dbraw/zinc/84/10/82/343841082.db2.gz RQPGVSJJRKFFIB-UONOGXRCSA-N 2 0 267.417 1.561 20 30 CDEDRP CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000598714695 343880968 /nfs/dbraw/zinc/88/09/68/343880968.db2.gz IPQQRVZEPIXYPJ-IHRRRGAJSA-N 2 0 265.401 1.504 20 30 CDEDRP CO[C@@H]1CN(CCc2ccc(C#N)cc2)[C@](C)(C[NH3+])C1 ZINC000600888161 349889345 /nfs/dbraw/zinc/88/93/45/349889345.db2.gz ZCMLPFWXNIJSPB-HOTGVXAUSA-N 2 0 273.380 1.539 20 30 CDEDRP C[C@@H](CCC#N)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000602509199 344458451 /nfs/dbraw/zinc/45/84/51/344458451.db2.gz DPCUQARMHLSSPZ-AWEZNQCLSA-N 2 0 266.433 1.542 20 30 CDEDRP C[C@H](CCC#N)C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000602512484 344459688 /nfs/dbraw/zinc/45/96/88/344459688.db2.gz UJPDVVQBBGVHIE-OAHLLOKOSA-N 2 0 266.433 1.543 20 30 CDEDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cccc(C#N)n3)C2)CC1 ZINC000602549174 350123169 /nfs/dbraw/zinc/12/31/69/350123169.db2.gz SFPMSIOFEXXEMS-MRXNPFEDSA-N 2 0 299.422 1.211 20 30 CDEDRP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+]2C)cc1OC ZINC000264078880 362959017 /nfs/dbraw/zinc/95/90/17/362959017.db2.gz GTMQMZQJGZMGTF-GFCCVEGCSA-N 2 0 292.383 1.525 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccccc1C ZINC000264079226 362960224 /nfs/dbraw/zinc/96/02/24/362960224.db2.gz ICJPJLLTRBQPQP-INIZCTEOSA-N 2 0 288.439 1.926 20 30 CDEDRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])N2CCOCC2)c1 ZINC000264117692 362972630 /nfs/dbraw/zinc/97/26/30/362972630.db2.gz TWGOXRWEJBTVFP-UHFFFAOYSA-N 2 0 290.411 1.285 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)C(C)C ZINC000236684131 358798619 /nfs/dbraw/zinc/79/86/19/358798619.db2.gz YIMBMCMBRQTKJC-LSDHHAIUSA-N 2 0 279.428 1.553 20 30 CDEDRP C#CCN(C)CCC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000294999561 363637272 /nfs/dbraw/zinc/63/72/72/363637272.db2.gz LXVBTWCWHVARJX-UHFFFAOYSA-N 3 0 286.423 1.595 20 30 CDEDRP C=CCN1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000248177266 361282464 /nfs/dbraw/zinc/28/24/64/361282464.db2.gz VUEOSGFQJBVYNS-SQWLQELKSA-N 2 0 265.445 1.955 20 30 CDEDRP C[C@@H](CNC(=[NH2+])Nc1ccccn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000170913298 365162113 /nfs/dbraw/zinc/16/21/13/365162113.db2.gz LSRVCUFGSBPIMW-OLZOCXBDSA-N 2 0 275.400 1.929 20 30 CDEDRP CC[N@H+](CC(=O)N(CCC#N)CCC[NH+](C)C)C1CC1 ZINC000343775886 284383232 /nfs/dbraw/zinc/38/32/32/284383232.db2.gz FTBKLZSXUSNORZ-UHFFFAOYSA-N 2 0 280.416 1.165 20 30 CDEDRP N#Cc1cccc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000112839499 374231208 /nfs/dbraw/zinc/23/12/08/374231208.db2.gz HZUARUQTQKSRHF-HZPDHXFCSA-N 2 0 271.364 1.511 20 30 CDEDRP C[N@H+](Cc1ccc(C#N)cc1)C1CCN(CCO)CC1 ZINC000353353537 375261334 /nfs/dbraw/zinc/26/13/34/375261334.db2.gz PMWBREYUPFMGID-UHFFFAOYSA-N 2 0 273.380 1.447 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C[NH3+])CCCC)CC1 ZINC000417520122 377825113 /nfs/dbraw/zinc/82/51/13/377825113.db2.gz BUADJBZILKZNFO-AWEZNQCLSA-N 2 0 282.432 1.454 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000417535040 377893272 /nfs/dbraw/zinc/89/32/72/377893272.db2.gz IMDBLKJTWYBSQQ-AWEZNQCLSA-N 2 0 280.416 1.063 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)CCCC[NH3+])CC1 ZINC000417545583 377933965 /nfs/dbraw/zinc/93/39/65/377933965.db2.gz XVBWHDQTBQCZQW-CQSZACIVSA-N 2 0 296.459 1.844 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000417536969 377899823 /nfs/dbraw/zinc/89/98/23/377899823.db2.gz YYJQQSFHBMEXCM-KGLIPLIRSA-N 2 0 294.443 1.263 20 30 CDEDRP C=C[C@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000657791360 413026349 /nfs/dbraw/zinc/02/63/49/413026349.db2.gz VDMBWEXPGBPDSM-MRXNPFEDSA-N 2 0 290.407 1.798 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC1CC[NH+](C(C)C)CC1 ZINC000114089601 390804606 /nfs/dbraw/zinc/80/46/06/390804606.db2.gz NBFHNGXXMGYQMR-UHFFFAOYSA-N 2 0 278.400 1.817 20 30 CDEDRP C#CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000373076843 391104694 /nfs/dbraw/zinc/10/46/94/391104694.db2.gz WPBLXWSTAZGGMG-OKILXGFUSA-N 2 0 250.386 1.441 20 30 CDEDRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000177011915 391162197 /nfs/dbraw/zinc/16/21/97/391162197.db2.gz ALDRVKGZNIYSBH-ZDUSSCGKSA-N 2 0 275.400 1.786 20 30 CDEDRP CCNC(=[NH2+])NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000267431676 391194733 /nfs/dbraw/zinc/19/47/33/391194733.db2.gz MRDVWNVEKPZAGP-UHFFFAOYSA-N 2 0 290.411 1.068 20 30 CDEDRP CC[NH+]1CCN(c2ccc(CNC(=[NH2+])NC)cc2F)CC1 ZINC000267451768 391195738 /nfs/dbraw/zinc/19/57/38/391195738.db2.gz RSOXAVJYBWDXNZ-UHFFFAOYSA-N 2 0 293.390 1.002 20 30 CDEDRP C[C@@H]1C[NH+]=C(NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)N1 ZINC000262658966 391808081 /nfs/dbraw/zinc/80/80/81/391808081.db2.gz MKPUFGWLEIMYTB-CJNGLKHVSA-N 2 0 286.423 1.834 20 30 CDEDRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000044518445 175190753 /nfs/dbraw/zinc/19/07/53/175190753.db2.gz PXEVBOOZQXZEFL-QGZVFWFLSA-N 2 0 287.407 1.913 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C1([NH3+])CCC1)C(C)C ZINC000449324414 260414866 /nfs/dbraw/zinc/41/48/66/260414866.db2.gz FGSWRMNGUFYCAU-CQSZACIVSA-N 2 0 279.428 1.683 20 30 CDEDRP CNC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000161528873 261080471 /nfs/dbraw/zinc/08/04/71/261080471.db2.gz NBQDTBFYLVJZBF-AWEZNQCLSA-N 2 0 260.385 1.575 20 30 CDEDRP C#CC[NH+](C)CCCNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000491765413 262017530 /nfs/dbraw/zinc/01/75/30/262017530.db2.gz DDAGSUMVUJPZJX-QLFBSQMISA-N 2 0 279.428 1.319 20 30 CDEDRP C=CC1CC[NH+](CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000111260363 262259106 /nfs/dbraw/zinc/25/91/06/262259106.db2.gz RPYKIQQLASTXPE-UHFFFAOYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCNC(=O)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000365368966 262362358 /nfs/dbraw/zinc/36/23/58/262362358.db2.gz UIAOVEANNRDRTF-MRXNPFEDSA-N 2 0 293.455 1.733 20 30 CDEDRP CCCNC(=[NH2+])NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000272897416 263009682 /nfs/dbraw/zinc/00/96/82/263009682.db2.gz JOZXXEXDMRDHGG-HNNXBMFYSA-N 2 0 290.411 1.068 20 30 CDEDRP C[NH+]=C(NCc1ccn(C)c1)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262018991 328143784 /nfs/dbraw/zinc/14/37/84/328143784.db2.gz YJWZCUAQYLFNEM-WFASDCNBSA-N 2 0 289.427 1.173 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCC2([NH+]3CCSCC3)CCCC2)N1 ZINC000262202061 330003826 /nfs/dbraw/zinc/00/38/26/330003826.db2.gz AZOQIIGCJYFPAW-GFCCVEGCSA-N 2 0 282.457 1.285 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[C@@H](C)C1 ZINC000262486494 330016937 /nfs/dbraw/zinc/01/69/37/330016937.db2.gz SRZFQZDUAVSFQW-HZSPNIEDSA-N 2 0 266.433 1.811 20 30 CDEDRP CC1(C)CCC[N@H+](CCNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000262948375 330037574 /nfs/dbraw/zinc/03/75/74/330037574.db2.gz OIVCSVDIXWEYQS-CYBMUJFWSA-N 2 0 282.432 1.192 20 30 CDEDRP [NH2+]=C(NCC1CC[NH+](C2CC2)CC1)NC1CCC1 ZINC000263136019 330045266 /nfs/dbraw/zinc/04/52/66/330045266.db2.gz NRQVHZRKJGUQMA-UHFFFAOYSA-N 2 0 250.390 1.318 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CN[C@H](C)C1C[NH2+]C1)C(C)C ZINC000422825748 330156507 /nfs/dbraw/zinc/15/65/07/330156507.db2.gz BAKFWAIADPBAOI-GDBMZVCRSA-N 2 0 265.445 1.883 20 30 CDEDRP C=CCC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccco1 ZINC000423207448 330177384 /nfs/dbraw/zinc/17/73/84/330177384.db2.gz RMZKGENVVKVEOA-CQSZACIVSA-N 2 0 263.385 1.782 20 30 CDEDRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424143373 330287060 /nfs/dbraw/zinc/28/70/60/330287060.db2.gz GCFKBHOYJPKJIW-RDBSUJKOSA-N 2 0 280.416 1.244 20 30 CDEDRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424144516 330289873 /nfs/dbraw/zinc/28/98/73/330289873.db2.gz LKHCUVAPOUOIRW-HUUCEWRRSA-N 2 0 292.427 1.198 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](CC)CCC)CC1 ZINC000491807128 332360448 /nfs/dbraw/zinc/36/04/48/332360448.db2.gz BPIWFHDGKJXDHE-HNNXBMFYSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CCC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001753852943 1159924181 /nfs/dbraw/zinc/92/41/81/1159924181.db2.gz FXYQKLOVXZEEIH-OAHLLOKOSA-N 2 0 281.444 1.826 20 30 CDEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001752766410 1160204297 /nfs/dbraw/zinc/20/42/97/1160204297.db2.gz ITGSTOAXSUINPV-XUWVNRHRSA-N 2 0 289.423 1.263 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001088381547 1160391827 /nfs/dbraw/zinc/39/18/27/1160391827.db2.gz GYABKJMOGGIEAN-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001088577195 1160583946 /nfs/dbraw/zinc/58/39/46/1160583946.db2.gz FTTSGWWRQXIFSM-TUVASFSCSA-N 2 0 279.428 1.482 20 30 CDEDRP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001755603491 1186008581 /nfs/dbraw/zinc/00/85/81/1186008581.db2.gz CFSNDPOFOOANOG-KBPBESRZSA-N 2 0 267.417 1.177 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000352733266 526432800 /nfs/dbraw/zinc/43/28/00/526432800.db2.gz XBDQEEVZXVOVFF-UHFFFAOYSA-N 2 0 280.416 1.030 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000730275905 574907679 /nfs/dbraw/zinc/90/76/79/574907679.db2.gz BIGRSJWBMVXVDR-OAGGEKHMSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974993602 613031648 /nfs/dbraw/zinc/03/16/48/613031648.db2.gz IPZIQQDOUJYXPT-OAHLLOKOSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000981958668 613254190 /nfs/dbraw/zinc/25/41/90/613254190.db2.gz HWGKBBRYFKLCCL-CVEARBPZSA-N 2 0 293.455 1.685 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977593773 613277371 /nfs/dbraw/zinc/27/73/71/613277371.db2.gz CTUXIOXAPKNZQZ-GJZGRUSLSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962552184 613279712 /nfs/dbraw/zinc/27/97/12/613279712.db2.gz CQDGWARPIDXNQK-FOLVSLTJSA-N 2 0 277.412 1.095 20 30 CDEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000971566191 613290354 /nfs/dbraw/zinc/29/03/54/613290354.db2.gz BKFYYKFLDOTUHA-HRCADAONSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000968703022 613348596 /nfs/dbraw/zinc/34/85/96/613348596.db2.gz SQNRPBZNOFBFDF-HUUCEWRRSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CCC[N@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000981333200 613493575 /nfs/dbraw/zinc/49/35/75/613493575.db2.gz MRAHOJIORDRWMQ-OAHLLOKOSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000981960236 613495524 /nfs/dbraw/zinc/49/55/24/613495524.db2.gz ULXCXMVUEYBZHW-GJZGRUSLSA-N 2 0 279.428 1.295 20 30 CDEDRP CC#CC[N@@H+]1C[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977450508 613620391 /nfs/dbraw/zinc/62/03/91/613620391.db2.gz FQAZAVFOMLFMOV-GJZGRUSLSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000972744244 613624652 /nfs/dbraw/zinc/62/46/52/613624652.db2.gz ZKZBXINYKTUWIT-CYBMUJFWSA-N 2 0 288.395 1.480 20 30 CDEDRP C=CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000981152308 613692988 /nfs/dbraw/zinc/69/29/88/613692988.db2.gz HHAFJWNUCALFJL-CVEARBPZSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC000942288139 613755890 /nfs/dbraw/zinc/75/58/90/613755890.db2.gz ORPGQDRFDMLSMN-XJKSGUPXSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC000960724043 613838871 /nfs/dbraw/zinc/83/88/71/613838871.db2.gz SJWKBPFOUVFKMJ-XUWVNRHRSA-N 2 0 291.439 1.339 20 30 CDEDRP C[N@@H+]1CCN(CC[NH2+]CC#Cc2ccccc2)CC1(C)C ZINC000894253732 618265132 /nfs/dbraw/zinc/26/51/32/618265132.db2.gz NJAJOGRMKFJYAP-UHFFFAOYSA-N 2 0 285.435 1.654 20 30 CDEDRP CC#CC[C@@H](CO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000895131141 619329987 /nfs/dbraw/zinc/32/99/87/619329987.db2.gz GLIDKYZKLCUSLZ-INIZCTEOSA-N 2 0 266.429 1.861 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000911755010 629473912 /nfs/dbraw/zinc/47/39/12/629473912.db2.gz XBPGTIXKGZPYKP-DGCLKSJQSA-N 2 0 253.390 1.256 20 30 CDEDRP c1nncn1[NH+]=C1CC[NH+](CCc2ccccc2)CC1 ZINC000915932414 631868230 /nfs/dbraw/zinc/86/82/30/631868230.db2.gz PYIRDJJLOCNZEZ-UHFFFAOYSA-N 2 0 269.352 1.821 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000920458909 632782599 /nfs/dbraw/zinc/78/25/99/632782599.db2.gz MZGYOWKROAGOPS-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130710722 1162697394 /nfs/dbraw/zinc/69/73/94/1162697394.db2.gz BMTLYVWFASZEKT-OAHLLOKOSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001754914896 1159487132 /nfs/dbraw/zinc/48/71/32/1159487132.db2.gz OOIHZCHSDDQEBJ-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790226 1163048215 /nfs/dbraw/zinc/04/82/15/1163048215.db2.gz JCDCYONZQIWPIK-GOEBONIOSA-N 2 0 293.455 1.921 20 30 CDEDRP Cc1ccc(NC(=[NH2+])NCCC[NH+]2CCC(O)CC2)cc1 ZINC000104168443 1163076513 /nfs/dbraw/zinc/07/65/13/1163076513.db2.gz QPGMFNVZRXHBJY-UHFFFAOYSA-N 2 0 290.411 1.568 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001133261453 1163617186 /nfs/dbraw/zinc/61/71/86/1163617186.db2.gz APCBBHMBDYEYRC-JKSUJKDBSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001133347757 1163649422 /nfs/dbraw/zinc/64/94/22/1163649422.db2.gz ZHJHCCYTALROPI-CABCVRRESA-N 2 0 279.428 1.034 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133846181 1163931744 /nfs/dbraw/zinc/93/17/44/1163931744.db2.gz VLJKSHYBZVDXJZ-ZIAGYGMSSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CCC[C@@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001252617912 1164689164 /nfs/dbraw/zinc/68/91/64/1164689164.db2.gz ACCINGDMTKDCGM-OAHLLOKOSA-N 2 0 252.402 1.778 20 30 CDEDRP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001570677152 1170229047 /nfs/dbraw/zinc/22/90/47/1170229047.db2.gz TWOFNYMUHYYHPQ-AWEZNQCLSA-N 2 0 283.460 1.833 20 30 CDEDRP C#Cc1ccc(C[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC001574757713 1171005789 /nfs/dbraw/zinc/00/57/89/1171005789.db2.gz ZQNSWVMJYJEKGB-QGZVFWFLSA-N 2 0 284.403 1.916 20 30 CDEDRP C[NH2+]C[C@H](O)C[N@H+](C)CCCCC1(C#N)CCC1 ZINC001578653406 1171970961 /nfs/dbraw/zinc/97/09/61/1171970961.db2.gz XIPBOLBRAHRJRG-ZDUSSCGKSA-N 2 0 253.390 1.363 20 30 CDEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001713097113 1178366024 /nfs/dbraw/zinc/36/60/24/1178366024.db2.gz MAQRJKBRNOLXLV-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001751975590 1184803566 /nfs/dbraw/zinc/80/35/66/1184803566.db2.gz QOFJMCJCWVLESY-HNNXBMFYSA-N 2 0 279.428 1.342 20 30 CDEDRP C=CCC[NH2+][C@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001753007263 1184992204 /nfs/dbraw/zinc/99/22/04/1184992204.db2.gz HMQXIZMCTQWKGP-CYBMUJFWSA-N 2 0 267.417 1.531 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001753111418 1185066035 /nfs/dbraw/zinc/06/60/35/1185066035.db2.gz IFTNIYHEMFEJRG-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001754180539 1185496337 /nfs/dbraw/zinc/49/63/37/1185496337.db2.gz DYFFRUYOGNOYLT-SGFLJFKBSA-N 2 0 289.423 1.289 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]C/C=C/Cl)CC1 ZINC001754254436 1185532351 /nfs/dbraw/zinc/53/23/51/1185532351.db2.gz BJWOTLMFQWPHSU-WXJAXGNASA-N 2 0 297.830 1.178 20 30 CDEDRP C=C(Cl)C[NH2+]CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001754396006 1185607188 /nfs/dbraw/zinc/60/71/88/1185607188.db2.gz XSZVIJZFNILVOL-LBPRGKRZSA-N 2 0 287.835 1.519 20 30 CDEDRP C#CC[NH2+]C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001754453730 1185624025 /nfs/dbraw/zinc/62/40/25/1185624025.db2.gz BNZIXONFOXLZLX-QGZVFWFLSA-N 2 0 299.418 1.479 20 30 CDEDRP CC#CC[NH2+]CCC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001755502889 1185974390 /nfs/dbraw/zinc/97/43/90/1185974390.db2.gz YPBDMBKZIULZDU-CVEARBPZSA-N 2 0 293.455 1.759 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001755690635 1186037576 /nfs/dbraw/zinc/03/75/76/1186037576.db2.gz PMBHQZIWWVNLRA-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC001341584456 963473881 /nfs/dbraw/zinc/47/38/81/963473881.db2.gz FPAMVKCOQOBOSK-OLZOCXBDSA-N 2 0 253.390 1.223 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001752950797 1166985330 /nfs/dbraw/zinc/98/53/30/1166985330.db2.gz BDVSCDRFDQUBCD-CVEARBPZSA-N 2 0 293.455 1.733 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000303871222 837410145 /nfs/dbraw/zinc/41/01/45/837410145.db2.gz BOOTWYPITIFQGX-UONOGXRCSA-N 2 0 284.448 1.580 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027519192 837683189 /nfs/dbraw/zinc/68/31/89/837683189.db2.gz GYUKIGHNTKPRPN-OAHLLOKOSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044292242 837826245 /nfs/dbraw/zinc/82/62/45/837826245.db2.gz KKGSQBUIZWVYNV-CYBMUJFWSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021735894 835825494 /nfs/dbraw/zinc/82/54/94/835825494.db2.gz JGAYXQHPSKLMOD-HOTGVXAUSA-N 2 0 291.439 1.581 20 30 CDEDRP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001027928333 835847434 /nfs/dbraw/zinc/84/74/34/835847434.db2.gz MUTALMDFSMTHOB-HZPDHXFCSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997517244 835928507 /nfs/dbraw/zinc/92/85/07/835928507.db2.gz XKLRWESNYTWZKC-GOEBONIOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001022198799 835929211 /nfs/dbraw/zinc/92/92/11/835929211.db2.gz QJUXMTSGVMWUTP-KFWWJZLASA-N 2 0 279.428 1.387 20 30 CDEDRP C=CCC[NH+]1CCC(C)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001045545037 836003038 /nfs/dbraw/zinc/00/30/38/836003038.db2.gz RJCFMGYDERGUCZ-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001075107237 836055539 /nfs/dbraw/zinc/05/55/39/836055539.db2.gz WRQSYIGKTNAYSV-IHRRRGAJSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CCN1CCC([NH2+]Cc2cncc(OC)c2)CC1 ZINC000850124397 836158576 /nfs/dbraw/zinc/15/85/76/836158576.db2.gz ZKLQFYFMJFYVKA-UHFFFAOYSA-N 2 0 261.369 1.830 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001007639298 836344912 /nfs/dbraw/zinc/34/49/12/836344912.db2.gz YKODKWKQTOIMFX-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001054910415 836418859 /nfs/dbraw/zinc/41/88/59/836418859.db2.gz ZVKQGXPLKHATHN-CZUORRHYSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015998158 836438631 /nfs/dbraw/zinc/43/86/31/836438631.db2.gz MCZCUAXUVSLKPS-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001034611209 836465842 /nfs/dbraw/zinc/46/58/42/836465842.db2.gz IYJPERVALQGTOI-IHRRRGAJSA-N 2 0 265.401 1.284 20 30 CDEDRP C#CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1CC[NH+](C)CC1 ZINC000886581045 836466574 /nfs/dbraw/zinc/46/65/74/836466574.db2.gz IGXVTNPYKRTMAV-INIZCTEOSA-N 2 0 293.455 1.663 20 30 CDEDRP C#CCN1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC000993800589 836809911 /nfs/dbraw/zinc/80/99/11/836809911.db2.gz ABYNCZKZHSTHAT-CABCVRRESA-N 2 0 291.439 1.321 20 30 CDEDRP CCCCNC(=[NH2+])NC[C@H](C)C[NH+]1CCCCC1 ZINC000303884395 837091836 /nfs/dbraw/zinc/09/18/36/837091836.db2.gz MSPUHASCOPERQU-ZDUSSCGKSA-N 2 0 254.422 1.813 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001000426835 837139825 /nfs/dbraw/zinc/13/98/25/837139825.db2.gz LDRSLUWDQZKWGH-KGLIPLIRSA-N 2 0 290.411 1.745 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001022717233 837360374 /nfs/dbraw/zinc/36/03/74/837360374.db2.gz UQDPJKXSENQJQJ-BETUJISGSA-N 2 0 299.846 1.708 20 30 CDEDRP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041832163 837871469 /nfs/dbraw/zinc/87/14/69/837871469.db2.gz UODOARIEJXJHSN-DOTOQJQBSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049480867 837933659 /nfs/dbraw/zinc/93/36/59/837933659.db2.gz GTLXNGCQCUJXOU-WCVJEAGWSA-N 2 0 291.439 1.578 20 30 CDEDRP CC#CC[C@H](CO)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000717748107 837992776 /nfs/dbraw/zinc/99/27/76/837992776.db2.gz HAVRPNAXGLBXJD-OAHLLOKOSA-N 2 0 273.380 1.414 20 30 CDEDRP C=CCCCCC[C@@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000817946261 838010140 /nfs/dbraw/zinc/01/01/40/838010140.db2.gz UUWWRQASOVGZMR-CQSZACIVSA-N 2 0 267.417 1.533 20 30 CDEDRP C#CCCCCCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000876966108 838049927 /nfs/dbraw/zinc/04/99/27/838049927.db2.gz MWZTZXUCJLVSBD-OAHLLOKOSA-N 2 0 252.402 1.616 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]CC)C2)CC1 ZINC001024276403 838117535 /nfs/dbraw/zinc/11/75/35/838117535.db2.gz FYKPEVPDIXJECR-HNNXBMFYSA-N 2 0 291.439 1.180 20 30 CDEDRP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052937870 838124510 /nfs/dbraw/zinc/12/45/10/838124510.db2.gz OFCAOXHRXXQRBG-CQSZACIVSA-N 2 0 299.846 1.805 20 30 CDEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)Cc2cncn2C)[C@H]1C ZINC000994232309 838129354 /nfs/dbraw/zinc/12/93/54/838129354.db2.gz PNZYRBVWROTQOF-HIFRSBDPSA-N 2 0 290.411 1.508 20 30 CDEDRP C=CC[N@H+]1CC[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001028765229 838178606 /nfs/dbraw/zinc/17/86/06/838178606.db2.gz TYHAIQJPQKQOFN-CYBMUJFWSA-N 2 0 291.395 1.579 20 30 CDEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000996982031 838771652 /nfs/dbraw/zinc/77/16/52/838771652.db2.gz ZRXHQAIQUUTKHV-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000989736740 838822994 /nfs/dbraw/zinc/82/29/94/838822994.db2.gz CFFFDZPGOXYYLS-INIZCTEOSA-N 2 0 291.439 1.418 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001003161158 838883147 /nfs/dbraw/zinc/88/31/47/838883147.db2.gz WDLZGHJTOQSWLN-HNNXBMFYSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001035728237 839027453 /nfs/dbraw/zinc/02/74/53/839027453.db2.gz HYWAJGNTLSQBHI-HNNXBMFYSA-N 2 0 293.455 1.683 20 30 CDEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001045553759 839395112 /nfs/dbraw/zinc/39/51/12/839395112.db2.gz DMRRNTNWVBOZEA-GJZGRUSLSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCCN1CC(N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001043232842 839635525 /nfs/dbraw/zinc/63/55/25/839635525.db2.gz YIWBGBOVHXMFPF-UHFFFAOYSA-N 2 0 284.363 1.667 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001033424059 839662358 /nfs/dbraw/zinc/66/23/58/839662358.db2.gz QQSMIMFWVILUBN-HUUCEWRRSA-N 2 0 277.412 1.027 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001004148879 839931164 /nfs/dbraw/zinc/93/11/64/839931164.db2.gz XCDMSXTWVBIOPP-UHFFFAOYSA-N 2 0 279.428 1.629 20 30 CDEDRP C#CCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072081154 839951820 /nfs/dbraw/zinc/95/18/20/839951820.db2.gz HIZUIIQUEVFMCY-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000996770190 839979048 /nfs/dbraw/zinc/97/90/48/839979048.db2.gz UTOFUXGCHOIYMI-UHFFFAOYSA-N 2 0 282.347 1.162 20 30 CDEDRP C[NH+](C)CC1(O)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000710671738 840310008 /nfs/dbraw/zinc/31/00/08/840310008.db2.gz LOGKTOXNJBGJET-UHFFFAOYSA-N 2 0 273.380 1.447 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000989078937 840585900 /nfs/dbraw/zinc/58/59/00/840585900.db2.gz VSFNBDPHZLYVTO-TZMCWYRMSA-N 2 0 296.374 1.469 20 30 CDEDRP CN(C[C@H](O)CC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000809576218 840616494 /nfs/dbraw/zinc/61/64/94/840616494.db2.gz RLQDPEMYOWQKMN-QGZVFWFLSA-N 2 0 287.407 1.857 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001027442318 840665334 /nfs/dbraw/zinc/66/53/34/840665334.db2.gz DESAPPUWDQCXTD-LSDHHAIUSA-N 2 0 279.428 1.435 20 30 CDEDRP CCCNC(=[NH2+])NC[C@H](C1CCCCC1)[NH+](C)C ZINC000303907918 840793235 /nfs/dbraw/zinc/79/32/35/840793235.db2.gz XFRBXVMDJYCSPB-CYBMUJFWSA-N 2 0 254.422 1.811 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001018968186 840861464 /nfs/dbraw/zinc/86/14/64/840861464.db2.gz XDJSILYEQRSKKK-HOCLYGCPSA-N 2 0 291.439 1.770 20 30 CDEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998536311 840880242 /nfs/dbraw/zinc/88/02/42/840880242.db2.gz RFSQXUBUXWZIBW-JXQTWKCFSA-N 2 0 265.401 1.236 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033318041 841067480 /nfs/dbraw/zinc/06/74/80/841067480.db2.gz FVLFKDYTDRDUDO-HNNXBMFYSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014404457 841091724 /nfs/dbraw/zinc/09/17/24/841091724.db2.gz CVAXDWHSGQZVHX-CABCVRRESA-N 2 0 279.428 1.626 20 30 CDEDRP C=CCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001038621635 841115623 /nfs/dbraw/zinc/11/56/23/841115623.db2.gz GADZWZSXOMEABY-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001045444478 841163019 /nfs/dbraw/zinc/16/30/19/841163019.db2.gz CQHZRRGUMJXWER-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP CC(C)[C@H](CNC(=[NH2+])NC(C)(C)C)[NH+]1CCCC1 ZINC000104160935 841179388 /nfs/dbraw/zinc/17/93/88/841179388.db2.gz SRSAJMVPRKUHOV-LBPRGKRZSA-N 2 0 254.422 1.810 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028900859 841289390 /nfs/dbraw/zinc/28/93/90/841289390.db2.gz MDAMQKPWQHHSEF-HNNXBMFYSA-N 2 0 293.455 1.731 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])NCCc1ccccc1 ZINC000303691111 841366587 /nfs/dbraw/zinc/36/65/87/841366587.db2.gz AHBFMIDGEUYHOY-UHFFFAOYSA-N 2 0 262.401 1.475 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000999699302 841501843 /nfs/dbraw/zinc/50/18/43/841501843.db2.gz QJRBLSAGZMZFHY-UHFFFAOYSA-N 2 0 288.395 1.526 20 30 CDEDRP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001029004124 841538220 /nfs/dbraw/zinc/53/82/20/841538220.db2.gz TWFSAOSLPKEPGT-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001008529250 841806371 /nfs/dbraw/zinc/80/63/71/841806371.db2.gz DZIJUKJEDFBZRU-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031766478 841822970 /nfs/dbraw/zinc/82/29/70/841822970.db2.gz JPYOVYSCKQHHKA-CABCVRRESA-N 2 0 277.412 1.237 20 30 CDEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001034796838 841843276 /nfs/dbraw/zinc/84/32/76/841843276.db2.gz PPHFJIJBVCFQKC-LDKKBFSKSA-N 2 0 291.439 1.509 20 30 CDEDRP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001041832298 841979610 /nfs/dbraw/zinc/97/96/10/841979610.db2.gz WJWYAPCJNOIBRG-KRWDZBQOSA-N 2 0 289.423 1.030 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C1 ZINC001048864476 842176750 /nfs/dbraw/zinc/17/67/50/842176750.db2.gz HAGUTNSJBOOGRV-GASCZTMLSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000986479220 842319914 /nfs/dbraw/zinc/31/99/14/842319914.db2.gz FLQIHVOXGIAEJM-IUODEOHRSA-N 2 0 282.347 1.160 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994247239 842352161 /nfs/dbraw/zinc/35/21/61/842352161.db2.gz CMKRGCDXOGDWTD-LSDHHAIUSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001035783639 842384871 /nfs/dbraw/zinc/38/48/71/842384871.db2.gz HYWAJGNTLSQBHI-OAHLLOKOSA-N 2 0 293.455 1.683 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001022646457 842738522 /nfs/dbraw/zinc/73/85/22/842738522.db2.gz KDUBZZJZJQSWRJ-BETUJISGSA-N 2 0 285.819 1.318 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031669653 842864062 /nfs/dbraw/zinc/86/40/62/842864062.db2.gz QHYSOAOOAGKFTJ-HOTGVXAUSA-N 2 0 291.439 1.485 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000303874496 842884974 /nfs/dbraw/zinc/88/49/74/842884974.db2.gz HFTUINDCVQAGBS-GDBMZVCRSA-N 2 0 298.475 1.828 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035839549 842885628 /nfs/dbraw/zinc/88/56/28/842885628.db2.gz VQLZYTHDZMTYST-HNNXBMFYSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000999346325 842982922 /nfs/dbraw/zinc/98/29/22/842982922.db2.gz DMXRULKYLLRQOD-ZDUSSCGKSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176057504 913941541 /nfs/dbraw/zinc/94/15/41/913941541.db2.gz PHKJTKUOPHZMFV-KBPBESRZSA-N 2 0 267.417 1.389 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001176844024 914269246 /nfs/dbraw/zinc/26/92/46/914269246.db2.gz DXNCPALKRJNHML-KBPBESRZSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCOCC[NH2+]CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001176856585 914351097 /nfs/dbraw/zinc/35/10/97/914351097.db2.gz LMYMFOWFVBVKFW-GJZGRUSLSA-N 2 0 297.443 1.158 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001176856049 914352956 /nfs/dbraw/zinc/35/29/56/914352956.db2.gz HBIHDXVCSWFXJZ-GJZGRUSLSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167737400 899656026 /nfs/dbraw/zinc/65/60/26/899656026.db2.gz SDCURNJLJHAAQD-UHFFFAOYSA-N 2 0 297.443 1.017 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001223495129 901523441 /nfs/dbraw/zinc/52/34/41/901523441.db2.gz JXFMGAXMLLPPAH-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC000987569781 907744855 /nfs/dbraw/zinc/74/48/55/907744855.db2.gz INEVKMIXGCZQGZ-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088571760 907989558 /nfs/dbraw/zinc/98/95/58/907989558.db2.gz MMGUGXKCUSMDHD-KBMXLJTQSA-N 2 0 291.439 1.483 20 30 CDEDRP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001092604294 909470785 /nfs/dbraw/zinc/47/07/85/909470785.db2.gz DUHLJDNXASMKEI-BZUAXINKSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@H]1C ZINC001088857705 911973786 /nfs/dbraw/zinc/97/37/86/911973786.db2.gz BDCXTXSWXACFOJ-ZNMIVQPWSA-N 2 0 279.428 1.626 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001178698571 915585377 /nfs/dbraw/zinc/58/53/77/915585377.db2.gz MAZGKAOEZWPUAZ-MRXNPFEDSA-N 2 0 293.455 1.616 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)CC[N@@H+](C)CC ZINC001179989285 916102278 /nfs/dbraw/zinc/10/22/78/916102278.db2.gz XPTLUQGVTCGCHI-UHFFFAOYSA-N 2 0 281.444 1.618 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)COCC[NH+](C)C ZINC001180060677 916137633 /nfs/dbraw/zinc/13/76/33/916137633.db2.gz LIMPVIHQNOZPNA-UHFFFAOYSA-N 2 0 285.432 1.017 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124734 916166386 /nfs/dbraw/zinc/16/63/86/916166386.db2.gz PJGUWZOYKYOPQL-ZNMIVQPWSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001182479926 917904418 /nfs/dbraw/zinc/90/44/18/917904418.db2.gz KLPPKRVEBZBPTK-RHSMWYFYSA-N 2 0 293.455 1.588 20 30 CDEDRP CCc1cc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)ccc1C#N ZINC001205255744 918305817 /nfs/dbraw/zinc/30/58/17/918305817.db2.gz KNALCZNJLCGPPP-KRWDZBQOSA-N 2 0 287.407 1.796 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)CCc2ncc[nH]2)C[C@@H]1C ZINC001184273630 918964902 /nfs/dbraw/zinc/96/49/02/918964902.db2.gz LWJOTJGFGXRCLG-KBPBESRZSA-N 2 0 290.411 1.603 20 30 CDEDRP N#Cc1cccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1Cl ZINC001205229156 919218127 /nfs/dbraw/zinc/21/81/27/919218127.db2.gz LKCYOCLDUHSECU-HNNXBMFYSA-N 2 0 293.798 1.887 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001078782438 920461602 /nfs/dbraw/zinc/46/16/02/920461602.db2.gz AAAXLZQXWDXLGG-KGLIPLIRSA-N 2 0 289.423 1.285 20 30 CDEDRP C=CCC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001033423301 922208978 /nfs/dbraw/zinc/20/89/78/922208978.db2.gz MJTYJPFWRAQSSL-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001190997130 922367585 /nfs/dbraw/zinc/36/75/85/922367585.db2.gz RHMPOPFGADVKHB-CQSZACIVSA-N 2 0 281.444 1.826 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC001191633764 922669859 /nfs/dbraw/zinc/66/98/59/922669859.db2.gz UKQVSNHUGRRFRU-CQSZACIVSA-N 2 0 276.384 1.382 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194070706 924049640 /nfs/dbraw/zinc/04/96/40/924049640.db2.gz ANMKGZRQXQKTKV-INIZCTEOSA-N 2 0 293.455 1.971 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001079707467 924410375 /nfs/dbraw/zinc/41/03/75/924410375.db2.gz GPHZMFOKTGLAPP-FVQBIDKESA-N 2 0 291.439 1.341 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001080036323 924477031 /nfs/dbraw/zinc/47/70/31/924477031.db2.gz QKDGFBMGQYRERZ-ZIAGYGMSSA-N 2 0 277.412 1.237 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001080851475 924644887 /nfs/dbraw/zinc/64/48/87/924644887.db2.gz LFLYHJUFMIRZQE-IUODEOHRSA-N 2 0 290.411 1.663 20 30 CDEDRP C=CC[NH+]1CC=C(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001161219915 936947302 /nfs/dbraw/zinc/94/73/02/936947302.db2.gz QIRLJRHVDCSKDJ-HNNXBMFYSA-N 2 0 291.439 1.653 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001082519697 924950670 /nfs/dbraw/zinc/95/06/70/924950670.db2.gz BUMBMPYKKDREDF-KBUPBQIOSA-N 2 0 279.428 1.339 20 30 CDEDRP C#CCN1CC[C@@H]2CN(C(=O)C[C@H](C)n3ccnc3)[C@@H]2C1 ZINC001084691330 925361182 /nfs/dbraw/zinc/36/11/82/925361182.db2.gz MSJMPGJSSZPVGI-RRFJBIMHSA-N 2 0 286.379 1.000 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001085394194 925930885 /nfs/dbraw/zinc/93/08/85/925930885.db2.gz YUBWTKATGGWHPI-ARFHVFGLSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001085779309 926385726 /nfs/dbraw/zinc/38/57/26/926385726.db2.gz RSMAVLWFAVBTRJ-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001201935571 926425629 /nfs/dbraw/zinc/42/56/29/926425629.db2.gz OVSWZUACBYEEHH-UHFFFAOYSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001085986868 926568151 /nfs/dbraw/zinc/56/81/51/926568151.db2.gz OOYIRDLVTRQWCG-GJZGRUSLSA-N 2 0 277.412 1.027 20 30 CDEDRP C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001085987534 926571833 /nfs/dbraw/zinc/57/18/33/926571833.db2.gz FUSRVIAALFBMAE-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001086254937 926899384 /nfs/dbraw/zinc/89/93/84/926899384.db2.gz ANAVIVSSRYGYHN-BETUJISGSA-N 2 0 288.395 1.432 20 30 CDEDRP C=C(C)C(=O)OCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169099746 927703816 /nfs/dbraw/zinc/70/38/16/927703816.db2.gz USKCLOBFNQUIDX-CLLJXQQHSA-N 2 0 252.358 1.321 20 30 CDEDRP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001111875406 937248218 /nfs/dbraw/zinc/24/82/18/937248218.db2.gz ZEDXZOAJXQGACP-ZOBUZTSGSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001206031087 929081883 /nfs/dbraw/zinc/08/18/83/929081883.db2.gz MYBWDFQAYQATJL-HOCLYGCPSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001115543663 937391938 /nfs/dbraw/zinc/39/19/38/937391938.db2.gz UXOALMCJUZWYMC-HUUCEWRRSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCCCC1 ZINC001115696159 937413662 /nfs/dbraw/zinc/41/36/62/937413662.db2.gz IXSRNSJBPITFCI-UHFFFAOYSA-N 2 0 291.439 1.370 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCCC1 ZINC001115706539 937414564 /nfs/dbraw/zinc/41/45/64/937414564.db2.gz BHFPXEBHPDRXEQ-UHFFFAOYSA-N 2 0 291.439 1.370 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001135804810 930434180 /nfs/dbraw/zinc/43/41/80/930434180.db2.gz PMNZUZCXOXYGLM-UONOGXRCSA-N 2 0 297.443 1.156 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CCCCC1 ZINC001115731209 937416910 /nfs/dbraw/zinc/41/69/10/937416910.db2.gz ZUXHWAMBEVFTAN-HUUCEWRRSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863699 930509598 /nfs/dbraw/zinc/50/95/98/930509598.db2.gz XVSCXINCKRFPDT-RRFJBIMHSA-N 2 0 281.444 1.777 20 30 CDEDRP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135955671 930564875 /nfs/dbraw/zinc/56/48/75/930564875.db2.gz LOZPVYUIOQALRP-LSDHHAIUSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001091100409 931827858 /nfs/dbraw/zinc/82/78/58/931827858.db2.gz SKENYTKSZQCNJF-NRXISQOPSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146602333 932270771 /nfs/dbraw/zinc/27/07/71/932270771.db2.gz SDAURNZFMJAAPY-UONOGXRCSA-N 2 0 269.433 1.776 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001147458584 932507808 /nfs/dbraw/zinc/50/78/08/932507808.db2.gz LGZAVASCVXJPRC-INIZCTEOSA-N 2 0 287.407 1.409 20 30 CDEDRP C#Cc1cccc(C[N@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c1 ZINC001276096641 932525282 /nfs/dbraw/zinc/52/52/82/932525282.db2.gz NFSPOYDVNDSORV-RBUKOAKNSA-N 2 0 297.446 1.736 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147884895 932628903 /nfs/dbraw/zinc/62/89/03/932628903.db2.gz HKTYFUUPZURHDL-OAHLLOKOSA-N 2 0 281.444 1.780 20 30 CDEDRP N#Cc1c(N[C@H]2CCC[C@H]([NH3+])C2)ncc2c1CCC[NH2+]C2 ZINC001154979225 937616036 /nfs/dbraw/zinc/61/60/36/937616036.db2.gz XKARJQUCEKHYOL-STQMWFEESA-N 2 0 285.395 1.671 20 30 CDEDRP C#CCC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001120140905 937782555 /nfs/dbraw/zinc/78/25/55/937782555.db2.gz PARPCYKSGVHETG-UHFFFAOYSA-N 2 0 291.439 1.514 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038924663 935761685 /nfs/dbraw/zinc/76/16/85/935761685.db2.gz FAHFQSOQTONNTD-AWEZNQCLSA-N 2 0 277.412 1.239 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157114394 938455906 /nfs/dbraw/zinc/45/59/06/938455906.db2.gz XBOXUYQEUDSIBJ-CQSZACIVSA-N 2 0 269.433 1.729 20 30 CDEDRP C#CCOCCOCC[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001258902451 945444414 /nfs/dbraw/zinc/44/44/14/945444414.db2.gz CPIIDEBBVGDOEK-MRXNPFEDSA-N 2 0 284.444 1.753 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNc1ncc(C)cc1C[NH3+] ZINC001160953999 938849456 /nfs/dbraw/zinc/84/94/56/938849456.db2.gz NKTGGAIUBZWRTM-AWEZNQCLSA-N 2 0 260.385 1.911 20 30 CDEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001161231139 938881103 /nfs/dbraw/zinc/88/11/03/938881103.db2.gz PXFDPYRWMVOGGN-HNNXBMFYSA-N 2 0 279.428 1.651 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001161524820 938908438 /nfs/dbraw/zinc/90/84/38/938908438.db2.gz NUZUEFPJZYXHCD-UHFFFAOYSA-N 2 0 293.455 1.759 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001165810156 939578501 /nfs/dbraw/zinc/57/85/01/939578501.db2.gz XHDXRZZWIPUEEP-UHFFFAOYSA-N 2 0 293.455 1.616 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203521344 939691063 /nfs/dbraw/zinc/69/10/63/939691063.db2.gz ITYBPIVLHIFUML-LSDHHAIUSA-N 2 0 293.455 1.921 20 30 CDEDRP Cc1ccc(CN2CCCC[C@](O)(C[NH3+])C2)c(C#N)c1 ZINC001205690897 939921875 /nfs/dbraw/zinc/92/18/75/939921875.db2.gz YRMMBHIEUAPJBK-INIZCTEOSA-N 2 0 273.380 1.542 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206928832 940112837 /nfs/dbraw/zinc/11/28/37/940112837.db2.gz KGPYXZSPIUEVBD-HNNXBMFYSA-N 2 0 279.428 1.342 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001206950568 940116799 /nfs/dbraw/zinc/11/67/99/940116799.db2.gz YXYICXUYEOJHQA-UHFFFAOYSA-N 2 0 291.439 1.324 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001208264759 940314426 /nfs/dbraw/zinc/31/44/26/940314426.db2.gz OATNTNJVEXHWRJ-KBPBESRZSA-N 2 0 285.407 1.433 20 30 CDEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209324430 940460765 /nfs/dbraw/zinc/46/07/65/940460765.db2.gz QCDLYCUBHUXJOO-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@H]2C[C@@H]2C)CC1 ZINC001209426940 940588610 /nfs/dbraw/zinc/58/86/10/940588610.db2.gz NISGBMKDOGSVEU-DLBZAZTESA-N 2 0 277.456 1.934 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001209950339 940653727 /nfs/dbraw/zinc/65/37/27/940653727.db2.gz FHYRUYBLPFGPBZ-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210229809 940673062 /nfs/dbraw/zinc/67/30/62/940673062.db2.gz SSBFKGYJIFQCPE-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210812277 940714805 /nfs/dbraw/zinc/71/48/05/940714805.db2.gz WAZKKMOPNUZILY-HNNXBMFYSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)C[C@H]1C ZINC001215854722 940911365 /nfs/dbraw/zinc/91/13/65/940911365.db2.gz IGHGTTJIWKXVCL-UMVBOHGHSA-N 2 0 288.395 1.048 20 30 CDEDRP C=C1CC[NH2+]C[C@H]1OCc1ccc2c(c1)CC[NH2+]C2 ZINC001217830396 941021578 /nfs/dbraw/zinc/02/15/78/941021578.db2.gz CLZFXPSETISKQK-MRXNPFEDSA-N 2 0 258.365 1.767 20 30 CDEDRP C[C@H](C#N)c1ccc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cc1 ZINC001218871165 941282390 /nfs/dbraw/zinc/28/23/90/941282390.db2.gz HYZVSXWHIIBYLW-BXUZGUMPSA-N 2 0 284.363 1.061 20 30 CDEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cc(C#N)ccc1OC ZINC001218978709 941296602 /nfs/dbraw/zinc/29/66/02/941296602.db2.gz CLCYMANYHMVXOU-LBPRGKRZSA-N 2 0 290.367 1.222 20 30 CDEDRP C=CC[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1ccccc1 ZINC001221361594 941522130 /nfs/dbraw/zinc/52/21/30/941522130.db2.gz XJJINHNPUHHPFJ-JFIYKMOQSA-N 2 0 299.418 1.619 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)C[NH+](CC)CC)CC1 ZINC001224911375 941804947 /nfs/dbraw/zinc/80/49/47/941804947.db2.gz NHCFJEPZJXLONK-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001316610542 942567801 /nfs/dbraw/zinc/56/78/01/942567801.db2.gz TXHWZPWRURJFBD-HNNXBMFYSA-N 2 0 279.428 1.581 20 30 CDEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230591813 942652044 /nfs/dbraw/zinc/65/20/44/942652044.db2.gz KGPPSURCTINRJT-INIZCTEOSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC001263149308 943764390 /nfs/dbraw/zinc/76/43/90/943764390.db2.gz APVGITATJLRIPK-RDBSUJKOSA-N 2 0 267.417 1.646 20 30 CDEDRP N#Cc1ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c(N)c1 ZINC001244088429 947309250 /nfs/dbraw/zinc/30/92/50/947309250.db2.gz FYGZPSLZDYSIND-UHFFFAOYSA-N 2 0 279.347 1.612 20 30 CDEDRP N#C[C@H]1CC[C@H](N2CC[NH+](CCCC[NH3+])CC2)C1 ZINC001254657167 947574516 /nfs/dbraw/zinc/57/45/16/947574516.db2.gz OBSDBMOYNRNHPW-KBPBESRZSA-N 2 0 250.390 1.035 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CCSC2)CC1 ZINC001255294365 947815814 /nfs/dbraw/zinc/81/58/14/947815814.db2.gz IYDLAQFYUQEHHU-INIZCTEOSA-N 2 0 295.496 1.784 20 30 CDEDRP CCCCCCCC[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246026050 947906169 /nfs/dbraw/zinc/90/61/69/947906169.db2.gz HZWGNMSZRQURTR-IKGGRYGDSA-N 2 0 298.471 1.612 20 30 CDEDRP C#CCOCCOCC[NH2+][C@H](C)CC[NH+](CC)CC ZINC001255952703 948135989 /nfs/dbraw/zinc/13/59/89/948135989.db2.gz WQUVBJKYZLTBAL-OAHLLOKOSA-N 2 0 270.417 1.363 20 30 CDEDRP CCCCCCC[C@H](C)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246822842 948460560 /nfs/dbraw/zinc/46/05/60/948460560.db2.gz SWBDISQTMFBNEK-KRWDZBQOSA-N 2 0 298.519 1.820 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC001252499124 951377479 /nfs/dbraw/zinc/37/74/79/951377479.db2.gz WEBQVGILHMISFW-NRXISQOPSA-N 2 0 270.417 1.260 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@H](C)[NH2+]C)CC1 ZINC001325371792 953868134 /nfs/dbraw/zinc/86/81/34/953868134.db2.gz LYHKRJRZXIAENF-ZDUSSCGKSA-N 2 0 282.432 1.324 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001423240458 956682336 /nfs/dbraw/zinc/68/23/36/956682336.db2.gz GCBAKNRURGHWLL-LBPRGKRZSA-N 2 0 287.835 1.564 20 30 CDEDRP C=C(Cl)CN(CC)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001366613603 957038494 /nfs/dbraw/zinc/03/84/94/957038494.db2.gz LEGFRTHJXLNVHX-CYBMUJFWSA-N 2 0 287.835 1.661 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001436390334 962231368 /nfs/dbraw/zinc/23/13/68/962231368.db2.gz MENNPTVLOFXMOW-JOCQHMNTSA-N 2 0 299.846 1.565 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1[C@H](C)C[NH2+][C@@H](C)[C@@H]1C ZINC001341764852 963535563 /nfs/dbraw/zinc/53/55/63/963535563.db2.gz KSDXHIWVKLXGGV-VOAKCMCISA-N 2 0 253.390 1.267 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001342109400 963641020 /nfs/dbraw/zinc/64/10/20/963641020.db2.gz XLVMWILJFKZRCQ-RBSFLKMASA-N 2 0 273.380 1.411 20 30 CDEDRP C[NH+](C)CC#CC[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC001346237911 965005996 /nfs/dbraw/zinc/00/59/96/965005996.db2.gz SUJPLUNPDVFZNY-UHFFFAOYSA-N 2 0 293.798 1.823 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C1CC([NH2+]C)C1)C(C)C ZINC001353482673 968008008 /nfs/dbraw/zinc/00/80/08/968008008.db2.gz OGVFBKDKBFSEEG-UYSNPLJNSA-N 2 0 293.455 1.799 20 30 CDEDRP C=CCCC[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100621235 968811435 /nfs/dbraw/zinc/81/14/35/968811435.db2.gz SDJNXCJOCSSIAC-UHFFFAOYSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132153466 1163182911 /nfs/dbraw/zinc/18/29/11/1163182911.db2.gz QWBNIZXMNMPNLZ-HUUCEWRRSA-N 2 0 293.455 1.709 20 30 CDEDRP CC#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132411193 1163279196 /nfs/dbraw/zinc/27/91/96/1163279196.db2.gz VRBYGHGNGRKQFM-GJZGRUSLSA-N 2 0 279.428 1.321 20 30 CDEDRP C#CCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001132435363 1163291715 /nfs/dbraw/zinc/29/17/15/1163291715.db2.gz CELAJQOIOYYYIQ-JKSUJKDBSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CC[C@@]1(C(=O)NC[C@@H]2CCC[N@H+]2CCC)CCC[NH2+]1 ZINC001574892386 1171040347 /nfs/dbraw/zinc/04/03/47/1171040347.db2.gz BRCHJGAILZKLFH-HOCLYGCPSA-N 2 0 279.428 1.675 20 30 CDEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCOCCC[NH3+] ZINC001575935326 1171299961 /nfs/dbraw/zinc/29/99/61/1171299961.db2.gz YRFFEUPNRVYPSL-CYBMUJFWSA-N 2 0 269.389 1.040 20 30 CDEDRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594438590 342906332 /nfs/dbraw/zinc/90/63/32/342906332.db2.gz KLLQTGCFDLDPPO-GJZGRUSLSA-N 2 0 294.443 1.588 20 30 CDEDRP N#CC1CCC(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000600736972 342246381 /nfs/dbraw/zinc/24/63/81/342246381.db2.gz UESPOTHMYRXZIY-NRXISQOPSA-N 2 0 265.401 1.363 20 30 CDEDRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442768148 362087731 /nfs/dbraw/zinc/08/77/31/362087731.db2.gz NZCYKGPZMKMMEP-ZIAGYGMSSA-N 2 0 265.401 1.504 20 30 CDEDRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000595936203 343201771 /nfs/dbraw/zinc/20/17/71/343201771.db2.gz NWZUDCHCWGIGHA-STQMWFEESA-N 2 0 280.416 1.244 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595946072 343205447 /nfs/dbraw/zinc/20/54/47/343205447.db2.gz QKPITFHWIBFMFB-UKRRQHHQSA-N 2 0 292.427 1.531 20 30 CDEDRP C#CC[N@H+](C)CCCN[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000294991473 199288283 /nfs/dbraw/zinc/28/82/83/199288283.db2.gz LIWJOGDBUHSFOS-IBGZPJMESA-N 2 0 299.462 1.848 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)o1 ZINC000600769883 349879647 /nfs/dbraw/zinc/87/96/47/349879647.db2.gz UIEPMJQQOXAAPF-CZUORRHYSA-N 2 0 289.379 1.870 20 30 CDEDRP C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000602652450 344516744 /nfs/dbraw/zinc/51/67/44/344516744.db2.gz LDFLKVMHZSZWLF-HOTGVXAUSA-N 2 0 279.428 1.970 20 30 CDEDRP C[C@H](CCC#N)C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000602654650 344517726 /nfs/dbraw/zinc/51/77/26/344517726.db2.gz ILIXMERHQMZYNB-CQSZACIVSA-N 2 0 266.433 1.542 20 30 CDEDRP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(CC#N)CC2)[C@@H](C)C1 ZINC000610812644 346443978 /nfs/dbraw/zinc/44/39/78/346443978.db2.gz GCKIVHBOZJZRFD-ZFWWWQNUSA-N 2 0 264.417 1.294 20 30 CDEDRP N#Cc1ccccc1NC(=O)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000112734015 350593300 /nfs/dbraw/zinc/59/33/00/350593300.db2.gz RELICQDNWLTLSI-KBPBESRZSA-N 2 0 284.363 1.038 20 30 CDEDRP COc1ccc(CCNC(=[NH2+])NCCCC[NH+](C)C)cc1 ZINC000264125975 362973367 /nfs/dbraw/zinc/97/33/67/362973367.db2.gz WLYITIVSVUWTJP-UHFFFAOYSA-N 2 0 292.427 1.484 20 30 CDEDRP C#CCN(C)CCC[NH2+]C[C@H](O)Cc1ccccc1 ZINC000491691453 357223305 /nfs/dbraw/zinc/22/33/05/357223305.db2.gz DZWZTKWPWMBTEC-MRXNPFEDSA-N 2 0 260.381 1.135 20 30 CDEDRP N#Cc1ccc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000261637431 357264142 /nfs/dbraw/zinc/26/41/42/357264142.db2.gz BXATZNNXNKHCEF-MRXNPFEDSA-N 2 0 270.380 1.038 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)C(C)C ZINC000165202108 363628337 /nfs/dbraw/zinc/62/83/37/363628337.db2.gz GALYERVWTPYFOI-GJZGRUSLSA-N 2 0 279.428 1.411 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]([NH3+])CCC)C(C)C ZINC000272296358 359452217 /nfs/dbraw/zinc/45/22/17/359452217.db2.gz GGDGFPBQHGUAAH-LSDHHAIUSA-N 2 0 281.444 1.929 20 30 CDEDRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)N(C)CCC#N)C1 ZINC000092799488 360285656 /nfs/dbraw/zinc/28/56/56/360285656.db2.gz IGSFTOGLEYBGJZ-CQSZACIVSA-N 2 0 280.416 1.022 20 30 CDEDRP C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158647666 361303681 /nfs/dbraw/zinc/30/36/81/361303681.db2.gz LHRHXOCKOHWPIA-RBSFLKMASA-N 2 0 292.427 1.163 20 30 CDEDRP C=CCC[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758147 364799382 /nfs/dbraw/zinc/79/93/82/364799382.db2.gz PEQMVEQDBLBZIS-AWEZNQCLSA-N 2 0 252.402 1.731 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001661231283 1172357146 /nfs/dbraw/zinc/35/71/46/1172357146.db2.gz HQZVIAOIUCACQV-HZPDHXFCSA-N 2 0 295.471 1.929 20 30 CDEDRP C#CCNC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123460214 368155891 /nfs/dbraw/zinc/15/58/91/368155891.db2.gz PEYKXZPDJBOTGQ-CQSZACIVSA-N 2 0 279.428 1.178 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCC[NH2+]C(C)C)CC1 ZINC000578489577 372478836 /nfs/dbraw/zinc/47/88/36/372478836.db2.gz GELRCUYVCBXPKX-UHFFFAOYSA-N 2 0 296.459 1.714 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000491296330 261403043 /nfs/dbraw/zinc/40/30/43/261403043.db2.gz LEJJVROITNQAQW-UHFFFAOYSA-N 2 0 294.443 1.067 20 30 CDEDRP COc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)ccc1C#N ZINC000414911951 374221896 /nfs/dbraw/zinc/22/18/96/374221896.db2.gz HKFAMGPBDGHXGM-KGLIPLIRSA-N 2 0 259.353 1.926 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000417536984 377900218 /nfs/dbraw/zinc/90/02/18/377900218.db2.gz ZAINTCSXYREPHO-UHFFFAOYSA-N 2 0 282.432 1.263 20 30 CDEDRP C=C[C@H](CO)[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000289730945 378347163 /nfs/dbraw/zinc/34/71/63/378347163.db2.gz GFYWMSWBPPTBBX-BMFZPTHFSA-N 2 0 260.381 1.786 20 30 CDEDRP C#Cc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000290304032 378374797 /nfs/dbraw/zinc/37/47/97/378374797.db2.gz IDCUSNVSOIICRQ-SFHVURJKSA-N 2 0 286.419 1.994 20 30 CDEDRP C#CC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000373076841 391104553 /nfs/dbraw/zinc/10/45/53/391104553.db2.gz WPBLXWSTAZGGMG-KBPBESRZSA-N 2 0 250.386 1.441 20 30 CDEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCCC#N ZINC000374427716 391162495 /nfs/dbraw/zinc/16/24/95/391162495.db2.gz JRWOQIGPTLWRRD-RDBSUJKOSA-N 2 0 251.374 1.474 20 30 CDEDRP C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000339059096 391248501 /nfs/dbraw/zinc/24/85/01/391248501.db2.gz FMUGCSUMZDGHED-VQHPVUNQSA-N 2 0 290.455 1.636 20 30 CDEDRP C[NH+]=C(NCC1([NH+]2CCSCC2)CCCC1)NC1CC1 ZINC000103337886 391314347 /nfs/dbraw/zinc/31/43/47/391314347.db2.gz PPBJJUWDXXXDMQ-UHFFFAOYSA-N 2 0 296.484 1.675 20 30 CDEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976127 391372667 /nfs/dbraw/zinc/37/26/67/391372667.db2.gz KKHOCVCZNHQUJP-RRFJBIMHSA-N 2 0 279.428 1.389 20 30 CDEDRP C#CC[NH+](CC#C)CCCCC[NH+](CC#C)CC#C ZINC000072906723 391545001 /nfs/dbraw/zinc/54/50/01/391545001.db2.gz QKZGYHURPKOJKW-UHFFFAOYSA-N 2 0 254.377 1.294 20 30 CDEDRP CC[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)[NH+](C)C ZINC000413229736 391720351 /nfs/dbraw/zinc/72/03/51/391720351.db2.gz KOXIFEYVBIPUBE-ZDUSSCGKSA-N 2 0 268.405 1.021 20 30 CDEDRP N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000423232142 392960019 /nfs/dbraw/zinc/96/00/19/392960019.db2.gz HOTXBGBLNINALU-INIZCTEOSA-N 2 0 284.407 1.869 20 30 CDEDRP C[NH+]=C(NCC(C)(C)[NH+](C)C)N1CCc2ccccc21 ZINC000263237733 262804638 /nfs/dbraw/zinc/80/46/38/262804638.db2.gz KDGCUAGZVVTXAD-UHFFFAOYSA-N 2 0 274.412 1.965 20 30 CDEDRP CC[NH+](CC)[C@@H](CNC(NC)=[NH+]C)Cc1ccccc1 ZINC000264110669 262873338 /nfs/dbraw/zinc/87/33/38/262873338.db2.gz QSRVFWNZJNPZGT-OAHLLOKOSA-N 2 0 276.428 1.734 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414970362 263171879 /nfs/dbraw/zinc/17/18/79/263171879.db2.gz HIUHBKHXTBBTEL-NEPJUHHUSA-N 2 0 279.350 1.767 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[NH2+]CC1)C(C)C ZINC000417071423 263777671 /nfs/dbraw/zinc/77/76/71/263777671.db2.gz WALWAGGKXQWUSA-OAHLLOKOSA-N 2 0 294.443 1.300 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000417534261 264422670 /nfs/dbraw/zinc/42/26/70/264422670.db2.gz VUYFUDPITAACGX-ZIAGYGMSSA-N 2 0 294.443 1.324 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000334905655 277775546 /nfs/dbraw/zinc/77/55/46/277775546.db2.gz DKFIFNYTCKTCBL-HIFRSBDPSA-N 2 0 292.427 1.030 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)C#N ZINC000347140345 279302588 /nfs/dbraw/zinc/30/25/88/279302588.db2.gz SQJHDONJYDLHFD-ZIAGYGMSSA-N 2 0 280.416 1.021 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000171740631 329079841 /nfs/dbraw/zinc/07/98/41/329079841.db2.gz AYDXHUODPHNMJK-OAHLLOKOSA-N 2 0 294.443 1.372 20 30 CDEDRP C=CC[N@H+](CCC(=O)N1CC[NH2+]CC1)CC1CCCCC1 ZINC000262196776 330001630 /nfs/dbraw/zinc/00/16/30/330001630.db2.gz RXDGQCALWLXHCM-UHFFFAOYSA-N 2 0 293.455 1.877 20 30 CDEDRP CC(C)(C)NC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000262710693 330028374 /nfs/dbraw/zinc/02/83/74/330028374.db2.gz CLRQXFPNBGAIRI-LBPRGKRZSA-N 2 0 252.406 1.706 20 30 CDEDRP [NH2+]=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CCOCC1 ZINC000262836025 330035035 /nfs/dbraw/zinc/03/50/35/330035035.db2.gz SKQOHODHUOONPR-OAHLLOKOSA-N 2 0 294.443 1.430 20 30 CDEDRP COCC1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CC[NH2+]CC1 ZINC000423402313 330196214 /nfs/dbraw/zinc/19/62/14/330196214.db2.gz HAYRWURIIMEXGO-KBPBESRZSA-N 2 0 265.401 1.675 20 30 CDEDRP C[NH2+]Cc1cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC000424056885 330218508 /nfs/dbraw/zinc/21/85/08/330218508.db2.gz IQGRGUZZMQIXHZ-ZDUSSCGKSA-N 2 0 260.341 1.366 20 30 CDEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424137731 330274870 /nfs/dbraw/zinc/27/48/70/330274870.db2.gz SLFAGGZTKKLQCU-ZNMIVQPWSA-N 2 0 294.443 1.492 20 30 CDEDRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424154803 330301896 /nfs/dbraw/zinc/30/18/96/330301896.db2.gz MAMDFRWZTQAJGN-KGLIPLIRSA-N 2 0 294.443 1.634 20 30 CDEDRP [NH2+]=C(NCC1CC[NH+](Cc2ccccc2)CC1)NC1CC1 ZINC000195523159 331174829 /nfs/dbraw/zinc/17/48/29/331174829.db2.gz VDLNIOOMAUEWTE-UHFFFAOYSA-N 2 0 286.423 1.965 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001203408418 1159181001 /nfs/dbraw/zinc/18/10/01/1159181001.db2.gz XVUXXLDDXWAHBY-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)OCC[NH+]2CCCCC2)CC1 ZINC000490874312 332123644 /nfs/dbraw/zinc/12/36/44/332123644.db2.gz MHRMKYRRLPSKCC-UHFFFAOYSA-N 2 0 278.396 1.361 20 30 CDEDRP C#CC[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000491692042 332288575 /nfs/dbraw/zinc/28/85/75/332288575.db2.gz HPKIWWXIDNGPEX-LSDHHAIUSA-N 2 0 294.443 1.066 20 30 CDEDRP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001755281063 1159819677 /nfs/dbraw/zinc/81/96/77/1159819677.db2.gz WNMWDOCMOJTGIJ-OAHLLOKOSA-N 2 0 293.455 1.588 20 30 CDEDRP C=C(C)C[N@@H+](C)CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001753855952 1159925778 /nfs/dbraw/zinc/92/57/78/1159925778.db2.gz ORQYWCYNKISYCI-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001753410525 1185192442 /nfs/dbraw/zinc/19/24/42/1185192442.db2.gz ZTKGXYJBSKJGOV-HNNXBMFYSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001113292237 1162147438 /nfs/dbraw/zinc/14/74/38/1162147438.db2.gz QTWOWTNPNOSSCX-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000764608139 575925326 /nfs/dbraw/zinc/92/53/26/575925326.db2.gz BNURSJFPZCNCRK-QWHCGFSZSA-N 2 0 253.390 1.093 20 30 CDEDRP C#CC[NH2+]C1CCC(N(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000964207652 612955364 /nfs/dbraw/zinc/95/53/64/612955364.db2.gz LLASZLDGHVLJOG-UHFFFAOYSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000968780771 613001579 /nfs/dbraw/zinc/00/15/79/613001579.db2.gz IQNLNUNKRYMIIL-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000969411829 613247549 /nfs/dbraw/zinc/24/75/49/613247549.db2.gz QZKVRGDMJQHSCZ-HIFRSBDPSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000972330744 613288706 /nfs/dbraw/zinc/28/87/06/613288706.db2.gz GWVXULQWOKLZLF-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC000982560113 613293051 /nfs/dbraw/zinc/29/30/51/613293051.db2.gz DEQMXXYJCFNCQM-BHYGNILZSA-N 2 0 291.439 1.130 20 30 CDEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC000970365698 613298494 /nfs/dbraw/zinc/29/84/94/613298494.db2.gz FASBVXXOAZDPJH-CYBMUJFWSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000969411403 613302147 /nfs/dbraw/zinc/30/21/47/613302147.db2.gz KDRFRRUZVQDYOK-GXTWGEPZSA-N 2 0 265.401 1.093 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947935216 613334712 /nfs/dbraw/zinc/33/47/12/613334712.db2.gz PLMXKQRHTIFPMO-CABCVRRESA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000939399625 613349999 /nfs/dbraw/zinc/34/99/99/613349999.db2.gz ZRMCQBXCXBQLCI-HZPDHXFCSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000969952043 613384632 /nfs/dbraw/zinc/38/46/32/613384632.db2.gz UQUJQAPCPWNHKU-CYBMUJFWSA-N 2 0 299.846 1.661 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947934266 613577088 /nfs/dbraw/zinc/57/70/88/613577088.db2.gz JWOBCHABAFALTF-HUUCEWRRSA-N 2 0 289.423 1.075 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947934265 613596227 /nfs/dbraw/zinc/59/62/27/613596227.db2.gz JWOBCHABAFALTF-GJZGRUSLSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[NH+]1CCCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC000982012295 613678230 /nfs/dbraw/zinc/67/82/30/613678230.db2.gz UZIHAVNKRYOTLD-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[NH2+]C1CCC(N(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000964208212 613859257 /nfs/dbraw/zinc/85/92/57/613859257.db2.gz SORGMGLERKUILG-UHFFFAOYSA-N 2 0 291.439 1.627 20 30 CDEDRP CCC[NH+](CCC)CCCNC(NC1CC1)=[NH+]C ZINC000103338574 617466463 /nfs/dbraw/zinc/46/64/63/617466463.db2.gz IMNITIOQMFKZHJ-UHFFFAOYSA-N 2 0 254.422 1.826 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000928660066 620420037 /nfs/dbraw/zinc/42/00/37/620420037.db2.gz GJJGYUCYJFRAFV-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000911685952 629415742 /nfs/dbraw/zinc/41/57/42/629415742.db2.gz WRUOKBKKEOGAOB-RWMBFGLXSA-N 2 0 253.390 1.398 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000911769821 629485747 /nfs/dbraw/zinc/48/57/47/629485747.db2.gz YDSVNODWJSKWRF-ZIAGYGMSSA-N 2 0 261.369 1.486 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001104362895 1158822958 /nfs/dbraw/zinc/82/29/58/1158822958.db2.gz OIGKOCIQUYPHFH-HUUCEWRRSA-N 2 0 293.455 1.424 20 30 CDEDRP C#CC[NH2+]CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379682272 1159710356 /nfs/dbraw/zinc/71/03/56/1159710356.db2.gz WQPRPNNARDYXKI-RDJZCZTQSA-N 2 0 299.418 1.379 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131836953 1163078969 /nfs/dbraw/zinc/07/89/69/1163078969.db2.gz IMIMNVFFHHQYIW-UHFFFAOYSA-N 2 0 267.417 1.533 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001755864786 1160633710 /nfs/dbraw/zinc/63/37/10/1160633710.db2.gz BIDFWNLBVURKCQ-NFOMZHRRSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001133073251 1163551947 /nfs/dbraw/zinc/55/19/47/1163551947.db2.gz RSPAFRLWJKKAPS-LSDHHAIUSA-N 2 0 279.428 1.036 20 30 CDEDRP C[NH+]1CC2(C1)CC[NH+](Cc1cn3cc(C#N)ccc3n1)CC2 ZINC001237618757 1167395158 /nfs/dbraw/zinc/39/51/58/1167395158.db2.gz UMASUVPCVNNFOL-UHFFFAOYSA-N 2 0 295.390 1.734 20 30 CDEDRP C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001713464135 1178581065 /nfs/dbraw/zinc/58/10/65/1178581065.db2.gz XFOAQCFSPIMXMS-UONOGXRCSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC001724076674 1181633984 /nfs/dbraw/zinc/63/39/84/1181633984.db2.gz JCMFGWQXJMLYSY-JKSUJKDBSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CC[NH2+][C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001752901434 1184957215 /nfs/dbraw/zinc/95/72/15/1184957215.db2.gz QLCGVWLJZMLWGR-DOMZBBRYSA-N 2 0 285.407 1.479 20 30 CDEDRP C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001752921070 1184965971 /nfs/dbraw/zinc/96/59/71/1184965971.db2.gz LJQCEEVUTZEPGH-ZIAGYGMSSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001752980443 1184982621 /nfs/dbraw/zinc/98/26/21/1184982621.db2.gz NIOYOVVWJHULHU-UONOGXRCSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001753437044 1185206774 /nfs/dbraw/zinc/20/67/74/1185206774.db2.gz RICOCOYAVDIONG-CABCVRRESA-N 2 0 299.434 1.775 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001753444322 1185211521 /nfs/dbraw/zinc/21/15/21/1185211521.db2.gz OUONAJYGPNNJNF-HNNXBMFYSA-N 2 0 293.455 1.520 20 30 CDEDRP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CCCC[NH+]1CCCC1 ZINC001753727245 1185318637 /nfs/dbraw/zinc/31/86/37/1185318637.db2.gz CJLVXTXHNQTXSI-MRXNPFEDSA-N 2 0 293.455 1.712 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001753756094 1185329596 /nfs/dbraw/zinc/32/95/96/1185329596.db2.gz ZRFXMVNJAQBOBB-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001754000117 1185423062 /nfs/dbraw/zinc/42/30/62/1185423062.db2.gz UHWWYGBGNNSRMV-CABCVRRESA-N 2 0 281.444 1.779 20 30 CDEDRP CC#CC[N@H+](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001754332644 1185585044 /nfs/dbraw/zinc/58/50/44/1185585044.db2.gz FMYNHKQRBIFTHF-INIZCTEOSA-N 2 0 293.455 1.712 20 30 CDEDRP C=CC[NH2+]C[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001754452927 1185624494 /nfs/dbraw/zinc/62/44/94/1185624494.db2.gz NIFAQCQOMMPLGI-HNNXBMFYSA-N 2 0 279.428 1.389 20 30 CDEDRP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001754803413 1185734570 /nfs/dbraw/zinc/73/45/70/1185734570.db2.gz BTTREEAMYHEQJD-LSDHHAIUSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001755165953 1185838147 /nfs/dbraw/zinc/83/81/47/1185838147.db2.gz UQYUBBJLTDDNOV-ZIAGYGMSSA-N 2 0 267.417 1.482 20 30 CDEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001755708161 1186042811 /nfs/dbraw/zinc/04/28/11/1186042811.db2.gz KWPZBYWKGLGRDK-HRCADAONSA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[NH2+]C1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001755857178 1186092654 /nfs/dbraw/zinc/09/26/54/1186092654.db2.gz CFCUYDCADXVHAM-PCKAHOCUSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CCCC[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001755899253 1186103432 /nfs/dbraw/zinc/10/34/32/1186103432.db2.gz GQPIEYFLFKWPKE-UHFFFAOYSA-N 2 0 291.439 1.797 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133863889 1163938642 /nfs/dbraw/zinc/93/86/42/1163938642.db2.gz QWDFKQSRDLEOCL-CABCVRRESA-N 2 0 281.444 1.636 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000998995050 844027447 /nfs/dbraw/zinc/02/74/47/844027447.db2.gz OOWHMORUOLKARD-JXQTWKCFSA-N 2 0 265.401 1.236 20 30 CDEDRP CCCCCCCCNC(=[NH2+])NC[C@H]1C[N@H+](C)CCN1C ZINC000849007908 844056931 /nfs/dbraw/zinc/05/69/31/844056931.db2.gz CIGWVXLKMOCGDF-HNNXBMFYSA-N 2 0 297.491 1.707 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033595389 844057739 /nfs/dbraw/zinc/05/77/39/844057739.db2.gz SNNUIAVHBBUQDF-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP C#CCCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000844337457 844770302 /nfs/dbraw/zinc/77/03/02/844770302.db2.gz FZPVKXZZWPZSGW-UHFFFAOYSA-N 2 0 250.386 1.226 20 30 CDEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000303910729 844186847 /nfs/dbraw/zinc/18/68/47/844186847.db2.gz ZDKYLVGIOIDGDX-AWEZNQCLSA-N 2 0 260.385 1.085 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052867392 844361359 /nfs/dbraw/zinc/36/13/59/844361359.db2.gz LXDRAEQQQDCINO-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001026139785 844383223 /nfs/dbraw/zinc/38/32/23/844383223.db2.gz SRNTXFWEVZDQMZ-LEOABGAYSA-N 2 0 291.439 1.339 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001032479072 844410287 /nfs/dbraw/zinc/41/02/87/844410287.db2.gz CYYOEWNUOHCUOI-JYJNAYRXSA-N 2 0 291.439 1.722 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001019812516 844530016 /nfs/dbraw/zinc/53/00/16/844530016.db2.gz RZQNBFMPRCUZQZ-AWEZNQCLSA-N 2 0 265.401 1.239 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001008946278 844598321 /nfs/dbraw/zinc/59/83/21/844598321.db2.gz QRDPYOPXGGRFBI-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)Cn2ccnc2C)CC1 ZINC000989673072 843028166 /nfs/dbraw/zinc/02/81/66/843028166.db2.gz HONNRUGQFXGRQW-UHFFFAOYSA-N 2 0 290.411 1.692 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2nccn2C1 ZINC001038424616 843034995 /nfs/dbraw/zinc/03/49/95/843034995.db2.gz SJLRRBMYGGVGQY-KBPBESRZSA-N 2 0 288.395 1.212 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001018966875 843282426 /nfs/dbraw/zinc/28/24/26/843282426.db2.gz VXWZQALGCSCOFV-GJZGRUSLSA-N 2 0 277.412 1.073 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001042356452 843348347 /nfs/dbraw/zinc/34/83/47/843348347.db2.gz IFLLVQBNFFVOEU-LSDHHAIUSA-N 2 0 277.412 1.191 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033272377 843351698 /nfs/dbraw/zinc/35/16/98/843351698.db2.gz MSUZWVKZZJUPDZ-MRXNPFEDSA-N 2 0 296.374 1.504 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001034649627 843730742 /nfs/dbraw/zinc/73/07/42/843730742.db2.gz OEERDCUZAOQJIH-YHUYYLMFSA-N 2 0 293.455 1.920 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033199337 843793921 /nfs/dbraw/zinc/79/39/21/843793921.db2.gz QYEGSEXDKDAARH-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001052499304 843805548 /nfs/dbraw/zinc/80/55/48/843805548.db2.gz SUIOPUFXBCQYJB-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001007799222 843864959 /nfs/dbraw/zinc/86/49/59/843864959.db2.gz HZEBQOXDWHKRBF-OAHLLOKOSA-N 2 0 296.374 1.552 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001001535279 843881354 /nfs/dbraw/zinc/88/13/54/843881354.db2.gz UFSHQOZVRQKAMU-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001050566046 844009561 /nfs/dbraw/zinc/00/95/61/844009561.db2.gz MLSFKXIRAIDGEL-OAHLLOKOSA-N 2 0 289.423 1.028 20 30 CDEDRP COCCNC(=[NH2+])NCCC[NH+](C(C)C)C(C)C ZINC000074797698 844671344 /nfs/dbraw/zinc/67/13/44/844671344.db2.gz BZXPBKXDLNXOLQ-UHFFFAOYSA-N 2 0 258.410 1.046 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001038392955 844672940 /nfs/dbraw/zinc/67/29/40/844672940.db2.gz FIIMSJRXTNOAGU-HNNXBMFYSA-N 2 0 291.439 1.629 20 30 CDEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001075887374 844701451 /nfs/dbraw/zinc/70/14/51/844701451.db2.gz JLFOFIRMRRQFHY-GOEBONIOSA-N 2 0 289.423 1.027 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000999515142 844702155 /nfs/dbraw/zinc/70/21/55/844702155.db2.gz XRYUBMDXTWPYNK-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCO[C@@H](C)C1 ZINC000261999260 844807143 /nfs/dbraw/zinc/80/71/43/844807143.db2.gz PARVPVRQSXGELU-BFHYXJOUSA-N 2 0 282.432 1.190 20 30 CDEDRP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024760514 844897715 /nfs/dbraw/zinc/89/77/15/844897715.db2.gz VBFSMXICOWJSHM-CQSZACIVSA-N 2 0 277.412 1.239 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027449726 844929077 /nfs/dbraw/zinc/92/90/77/844929077.db2.gz GBQQJIAAZCMNJE-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001049841079 844944201 /nfs/dbraw/zinc/94/42/01/844944201.db2.gz QOCPUQWNKOHFDJ-HRCADAONSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001050203712 844948186 /nfs/dbraw/zinc/94/81/86/844948186.db2.gz IXHMMCUMCSYWAG-LSDHHAIUSA-N 2 0 277.412 1.191 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001020340427 845174348 /nfs/dbraw/zinc/17/43/48/845174348.db2.gz PEIAKRHLKCWKIO-KKUMJFAQSA-N 2 0 279.428 1.530 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cncc2C)C1 ZINC001020396813 845262837 /nfs/dbraw/zinc/26/28/37/845262837.db2.gz CEXZRYSGBCYXHJ-JOCQHMNTSA-N 2 0 262.357 1.004 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001044767405 845278660 /nfs/dbraw/zinc/27/86/60/845278660.db2.gz OFMIAGWFCPZCAH-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001074824760 845630076 /nfs/dbraw/zinc/63/00/76/845630076.db2.gz PUPCUMNNCAZVCZ-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](CC)C[C@@H]1CC ZINC000836948970 845725621 /nfs/dbraw/zinc/72/56/21/845725621.db2.gz VBRWEMSPWANWRT-ZDUSSCGKSA-N 2 0 253.390 1.047 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001018266463 845779300 /nfs/dbraw/zinc/77/93/00/845779300.db2.gz PEKUMPYVTJWJNV-HRCADAONSA-N 2 0 291.439 1.580 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001028764210 845809978 /nfs/dbraw/zinc/80/99/78/845809978.db2.gz AWGYJCPVZDTYCQ-ZDUSSCGKSA-N 2 0 289.379 1.026 20 30 CDEDRP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001041688992 845813008 /nfs/dbraw/zinc/81/30/08/845813008.db2.gz ZEGMSYMLDUHCGT-RDJZCZTQSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CCN1CCC([NH2+][C@@H](COC)[C@@H]2CCCOC2)CC1 ZINC000883187848 845836085 /nfs/dbraw/zinc/83/60/85/845836085.db2.gz XVUYPUQTGCIRQV-ZBFHGGJFSA-N 2 0 282.428 1.668 20 30 CDEDRP C#CCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000989736741 845836372 /nfs/dbraw/zinc/83/63/72/845836372.db2.gz CFFFDZPGOXYYLS-MRXNPFEDSA-N 2 0 291.439 1.418 20 30 CDEDRP C[N@@H+]1CCCN(CCCNC(=[NH2+])N2CCCCCC2)CC1 ZINC000305066452 845866041 /nfs/dbraw/zinc/86/60/41/845866041.db2.gz NAKQBVCXNZUEPT-UHFFFAOYSA-N 2 0 295.475 1.205 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000104178903 845909008 /nfs/dbraw/zinc/90/90/08/845909008.db2.gz WDRVCBPDCBQNQP-MJBXVCDLSA-N 2 0 298.475 1.682 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034793153 845950096 /nfs/dbraw/zinc/95/00/96/845950096.db2.gz QOICTERGVCDVNH-KKUMJFAQSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001049892037 845977908 /nfs/dbraw/zinc/97/79/08/845977908.db2.gz YXFFHKIONYSGHH-OWCLPIDISA-N 2 0 289.423 1.027 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000997361934 846023759 /nfs/dbraw/zinc/02/37/59/846023759.db2.gz YOUUSASFBFGXBB-OKILXGFUSA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000805336032 846043860 /nfs/dbraw/zinc/04/38/60/846043860.db2.gz BWBCLPWUMQLCGN-KBPBESRZSA-N 2 0 265.401 1.189 20 30 CDEDRP C=C(C)CCN1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001030301680 846128376 /nfs/dbraw/zinc/12/83/76/846128376.db2.gz MDEZEKDHGCEBON-OAHLLOKOSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001050075950 846186342 /nfs/dbraw/zinc/18/63/42/846186342.db2.gz QRUAGEFRBYEBGJ-ARFHVFGLSA-N 2 0 291.439 1.273 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCC[NH+]1CC ZINC000304764820 846313001 /nfs/dbraw/zinc/31/30/01/846313001.db2.gz YMRYUZROAUUPMV-GJZGRUSLSA-N 3 0 295.475 1.249 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033416730 846430542 /nfs/dbraw/zinc/43/05/42/846430542.db2.gz QZZVNBBLCFXFMD-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001143371 846478039 /nfs/dbraw/zinc/47/80/39/846478039.db2.gz GNARXALMYJSOOJ-UKRRQHHQSA-N 2 0 277.412 1.118 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999188857 846649919 /nfs/dbraw/zinc/64/99/19/846649919.db2.gz DVLJVWWBCFLCKB-HZSPNIEDSA-N 2 0 265.401 1.093 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001020250623 846695609 /nfs/dbraw/zinc/69/56/09/846695609.db2.gz JRVKEIFQAPRDMB-JYJNAYRXSA-N 2 0 289.423 1.121 20 30 CDEDRP C[C@H](C[NH+]=C(NCc1ccccc1)N(C)C)C[NH+](C)C ZINC000849030650 846792237 /nfs/dbraw/zinc/79/22/37/846792237.db2.gz QVTUECIYEKMPGT-CQSZACIVSA-N 2 0 276.428 1.892 20 30 CDEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001072833145 846926888 /nfs/dbraw/zinc/92/68/88/846926888.db2.gz ZWSQFNRNNMSRNO-HNNXBMFYSA-N 2 0 291.439 1.130 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001076240038 846971351 /nfs/dbraw/zinc/97/13/51/846971351.db2.gz HVYXMSLHIJIJSB-QLFBSQMISA-N 2 0 277.412 1.189 20 30 CDEDRP CC[C@@H](C)NC(=[NH2+])NC[C@H](C)C[NH+]1CCCCC1 ZINC000303258600 846986169 /nfs/dbraw/zinc/98/61/69/846986169.db2.gz LBCILFYDVNWIMN-QWHCGFSZSA-N 2 0 254.422 1.811 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)Cn2cncc2C)C1 ZINC001034310119 847230900 /nfs/dbraw/zinc/23/09/00/847230900.db2.gz UKQIJRIIOANNHS-HNNXBMFYSA-N 2 0 288.395 1.186 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001032400354 847256904 /nfs/dbraw/zinc/25/69/04/847256904.db2.gz DSYJGCYGJLZIPD-JYJNAYRXSA-N 2 0 291.439 1.720 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(CC)CC1 ZINC000304802199 847314689 /nfs/dbraw/zinc/31/46/89/847314689.db2.gz PGVBJHZVMYKFQU-GFCCVEGCSA-N 2 0 252.406 1.565 20 30 CDEDRP C#CC[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000886357436 847324455 /nfs/dbraw/zinc/32/44/55/847324455.db2.gz GXCWPOUBUVRKGY-OAHLLOKOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000987521187 847382976 /nfs/dbraw/zinc/38/29/76/847382976.db2.gz YNQPAFQWUUJEQY-OLZOCXBDSA-N 2 0 285.819 1.414 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001054729748 847473467 /nfs/dbraw/zinc/47/34/67/847473467.db2.gz BNKKONBXSIWCRS-WCQYABFASA-N 2 0 299.846 1.660 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1cccc(OC)c1 ZINC000303704280 847515837 /nfs/dbraw/zinc/51/58/37/847515837.db2.gz JZQXTMYKQSOJPU-UHFFFAOYSA-N 2 0 264.373 1.764 20 30 CDEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041139476 847526017 /nfs/dbraw/zinc/52/60/17/847526017.db2.gz GZZULNQMZBTYOY-RDJZCZTQSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CCN1CCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001024531670 847606297 /nfs/dbraw/zinc/60/62/97/847606297.db2.gz WKUPTTUGNNKOKX-OAHLLOKOSA-N 2 0 289.423 1.219 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000999310350 847636740 /nfs/dbraw/zinc/63/67/40/847636740.db2.gz XITXBGNONCHOHK-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009203810 847644206 /nfs/dbraw/zinc/64/42/06/847644206.db2.gz SMJSDHHQNOYWCC-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009224083 847770002 /nfs/dbraw/zinc/77/00/02/847770002.db2.gz IKXUBXPBILMFRV-OAHLLOKOSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996518213 847811886 /nfs/dbraw/zinc/81/18/86/847811886.db2.gz IJNPEABJHJGYGY-KGLIPLIRSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027892754 847841319 /nfs/dbraw/zinc/84/13/19/847841319.db2.gz BQCJOFQLYNPSKH-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP CC[NH+]=C(NCC(C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261958556 847867887 /nfs/dbraw/zinc/86/78/87/847867887.db2.gz JLQQGYRQADWAKC-TZMCWYRMSA-N 2 0 266.433 1.680 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032128785 847901992 /nfs/dbraw/zinc/90/19/92/847901992.db2.gz KBSXHNJDVIZKKZ-HOTGVXAUSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001048890181 847933109 /nfs/dbraw/zinc/93/31/09/847933109.db2.gz FQEVQZKSTOMVLA-HZSPNIEDSA-N 2 0 299.846 1.469 20 30 CDEDRP C#CCC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001034395371 847937303 /nfs/dbraw/zinc/93/73/03/847937303.db2.gz XFYLBKJPYCFMAG-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046197066 847956898 /nfs/dbraw/zinc/95/68/98/847956898.db2.gz IGULMZKNTLEPEB-DZGCQCFKSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004145815 847994403 /nfs/dbraw/zinc/99/44/03/847994403.db2.gz VLGRDQSWRIZGDN-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001566773504 1168415336 /nfs/dbraw/zinc/41/53/36/1168415336.db2.gz JZVOGJROXQOGHO-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001121900068 913207892 /nfs/dbraw/zinc/20/78/92/913207892.db2.gz AJCARQBANPSOHZ-GJZGRUSLSA-N 2 0 297.443 1.143 20 30 CDEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266352640 894517622 /nfs/dbraw/zinc/51/76/22/894517622.db2.gz FHJMYNZSMYBTEN-CABCVRRESA-N 2 0 281.444 1.729 20 30 CDEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176164671 913987990 /nfs/dbraw/zinc/98/79/90/913987990.db2.gz CZHXARRFZOQAAN-LSDHHAIUSA-N 2 0 281.444 1.779 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267067088 896675312 /nfs/dbraw/zinc/67/53/12/896675312.db2.gz NGIXNRFCZLBLJO-CABCVRRESA-N 2 0 281.444 1.587 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167655044 897208058 /nfs/dbraw/zinc/20/80/58/897208058.db2.gz CPXJWSJJVMFVBX-UHFFFAOYSA-N 2 0 287.835 1.567 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167667991 897333359 /nfs/dbraw/zinc/33/33/59/897333359.db2.gz OYBNWPYARNAYOZ-UHFFFAOYSA-N 2 0 281.444 1.780 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001176856048 914352383 /nfs/dbraw/zinc/35/23/83/914352383.db2.gz HBIHDXVCSWFXJZ-GASCZTMLSA-N 2 0 281.444 1.921 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176980845 914416187 /nfs/dbraw/zinc/41/61/87/914416187.db2.gz SKQOXWVNKDTAKH-UHFFFAOYSA-N 2 0 261.797 1.175 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106839238 914417274 /nfs/dbraw/zinc/41/72/74/914417274.db2.gz BFQRXRXBWAXWPW-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCn1ccc2c1ncnc2NC(=[NH2+])NCCCC[NH3+] ZINC001167877341 901589274 /nfs/dbraw/zinc/58/92/74/901589274.db2.gz ASANMVFUOKLTGA-UHFFFAOYSA-N 2 0 287.371 1.292 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127480098 914746248 /nfs/dbraw/zinc/74/62/48/914746248.db2.gz IMTHMMQEDRFDCU-ZFWWWQNUSA-N 2 0 279.428 1.389 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001203442166 905845026 /nfs/dbraw/zinc/84/50/26/905845026.db2.gz FMZSOLOTUUDAED-UHFFFAOYSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168030347 905935159 /nfs/dbraw/zinc/93/51/59/905935159.db2.gz NLPGPHHIMWNUJM-LSDHHAIUSA-N 2 0 279.428 1.675 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@H]2C1 ZINC001088013962 906125910 /nfs/dbraw/zinc/12/59/10/906125910.db2.gz BCWDUNGJNJBZEE-OWCLPIDISA-N 2 0 291.439 1.437 20 30 CDEDRP C[C@@H]1CCCN(C(=[NH2+])NCCC[NH+]2CCCCC2)C1 ZINC000170908583 912093762 /nfs/dbraw/zinc/09/37/62/912093762.db2.gz IVDSLBRROFURKO-CQSZACIVSA-N 2 0 266.433 1.909 20 30 CDEDRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCC[NH3+])C[C@H]1C#N ZINC001172969568 912106959 /nfs/dbraw/zinc/10/69/59/912106959.db2.gz XRAMEAJYJVZETL-OLZOCXBDSA-N 2 0 296.415 1.607 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178689259 915563949 /nfs/dbraw/zinc/56/39/49/915563949.db2.gz OPDMRDRPVXIWTR-HRCADAONSA-N 2 0 291.439 1.462 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@H]1C ZINC001178813826 915632716 /nfs/dbraw/zinc/63/27/16/915632716.db2.gz KMNZRAHCHVWLNW-ZNMIVQPWSA-N 2 0 297.418 1.269 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001180204683 916193804 /nfs/dbraw/zinc/19/38/04/916193804.db2.gz ZGYWQDBNRCIVBY-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CCCn2ccnc2)[C@H]1C ZINC001180279658 916251724 /nfs/dbraw/zinc/25/17/24/916251724.db2.gz JGRYORDOQWTUGL-GJZGRUSLSA-N 2 0 290.411 1.818 20 30 CDEDRP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ccnc2)CC1 ZINC001052972771 936406394 /nfs/dbraw/zinc/40/63/94/936406394.db2.gz VPQZAJDEPLHGGH-CYBMUJFWSA-N 2 0 296.802 1.606 20 30 CDEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107550727 918446967 /nfs/dbraw/zinc/44/69/67/918446967.db2.gz LAXFGTUNHJWGOA-ZMSDIMECSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C1CC(C)(C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+])C1 ZINC001184795557 919283033 /nfs/dbraw/zinc/28/30/33/919283033.db2.gz ZSVRGYWEUNDUIS-UHFFFAOYSA-N 2 0 266.389 1.407 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001185514856 919639498 /nfs/dbraw/zinc/63/94/98/919639498.db2.gz BJYKOJAJJUNDFI-CVEARBPZSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001185683726 919704017 /nfs/dbraw/zinc/70/40/17/919704017.db2.gz ZHJCVKXUYQVQGH-JKSUJKDBSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139413551 936618091 /nfs/dbraw/zinc/61/80/91/936618091.db2.gz WFBBLEARYOAVFD-UHFFFAOYSA-N 2 0 257.381 1.503 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121080 920369992 /nfs/dbraw/zinc/36/99/92/920369992.db2.gz BEGJPQWGURSOPJ-CQSZACIVSA-N 2 0 277.412 1.239 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCC)C2)CC1 ZINC001188090492 920828993 /nfs/dbraw/zinc/82/89/93/920828993.db2.gz FIMSYSJINCSAGQ-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033595396 922279383 /nfs/dbraw/zinc/27/93/83/922279383.db2.gz SNNUIAVHBBUQDF-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001034796992 922822299 /nfs/dbraw/zinc/82/22/99/922822299.db2.gz SPTVDJDHAJVKLU-BZUAXINKSA-N 2 0 291.439 1.511 20 30 CDEDRP C=CCOc1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001205662924 924184186 /nfs/dbraw/zinc/18/41/86/924184186.db2.gz FTFZGCQRSGMOGU-KRWDZBQOSA-N 2 0 290.407 1.927 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085196930 924383277 /nfs/dbraw/zinc/38/32/77/924383277.db2.gz VDQDEDPJQNTOOI-BZUAXINKSA-N 2 0 291.439 1.509 20 30 CDEDRP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001079732153 924415502 /nfs/dbraw/zinc/41/55/02/924415502.db2.gz ALOHCSCFYQOLNU-QKPAOTATSA-N 2 0 291.439 1.177 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001079940685 924459728 /nfs/dbraw/zinc/45/97/28/924459728.db2.gz YPEOCOWAOGWYBI-HUUCEWRRSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001080134824 924490820 /nfs/dbraw/zinc/49/08/20/924490820.db2.gz DGFICMJXVVGUMK-CZUORRHYSA-N 2 0 298.390 1.961 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001080559169 924596108 /nfs/dbraw/zinc/59/61/08/924596108.db2.gz YIJJIUSQCMUNGE-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(CC)CC)CC1 ZINC001152330712 925115237 /nfs/dbraw/zinc/11/52/37/925115237.db2.gz TVLGUAFDQHTOAM-UHFFFAOYSA-N 2 0 293.455 1.474 20 30 CDEDRP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@]2(C)C1 ZINC001101443712 936972260 /nfs/dbraw/zinc/97/22/60/936972260.db2.gz PDUQAEFWSKKLRM-WBVHZDCISA-N 2 0 291.439 1.132 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001197914154 925268009 /nfs/dbraw/zinc/26/80/09/925268009.db2.gz LLGWUQNQERQKMC-UHFFFAOYSA-N 2 0 267.417 1.439 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)c1ccccc1C[NH+](C)C ZINC001152383940 925304891 /nfs/dbraw/zinc/30/48/91/925304891.db2.gz NWJYEXMLEBMVTB-UHFFFAOYSA-N 2 0 273.380 1.091 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001085024991 925585982 /nfs/dbraw/zinc/58/59/82/925585982.db2.gz UCWDHKXFIKEMDR-OWCLPIDISA-N 2 0 293.455 1.681 20 30 CDEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085701341 926301951 /nfs/dbraw/zinc/30/19/51/926301951.db2.gz MOBQJANWGDGEPP-HNNXBMFYSA-N 2 0 296.374 1.504 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001202353709 926542469 /nfs/dbraw/zinc/54/24/69/926542469.db2.gz RPVSXQNXOJOLJQ-OAHLLOKOSA-N 2 0 279.428 1.177 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC1CC[NH+](CC)CC1 ZINC001169239293 927871498 /nfs/dbraw/zinc/87/14/98/927871498.db2.gz XQSHWMVRPRZQQA-HNNXBMFYSA-N 2 0 251.418 1.711 20 30 CDEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110666448 928016185 /nfs/dbraw/zinc/01/61/85/928016185.db2.gz LNIZPTXAZKNZCE-WCVJEAGWSA-N 2 0 291.439 1.624 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135380210 930178906 /nfs/dbraw/zinc/17/89/06/930178906.db2.gz XCBWWIHZBCRUQT-KGLIPLIRSA-N 2 0 281.444 1.777 20 30 CDEDRP C=CC[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000883432957 930202514 /nfs/dbraw/zinc/20/25/14/930202514.db2.gz FFCILRWZBBSQOP-NWANDNLSSA-N 2 0 292.427 1.171 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767877 930399725 /nfs/dbraw/zinc/39/97/25/930399725.db2.gz JLNATRNOROYRHJ-CABCVRRESA-N 2 0 281.444 1.777 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135935644 930548658 /nfs/dbraw/zinc/54/86/58/930548658.db2.gz VQENKHZFDMVAJK-OLZOCXBDSA-N 2 0 288.395 1.267 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001153819133 937473775 /nfs/dbraw/zinc/47/37/75/937473775.db2.gz PDGZHBDCDVQNCI-CVEARBPZSA-N 2 0 293.455 1.709 20 30 CDEDRP CCCCCCCC[N@H+](CCN)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246310736 931409613 /nfs/dbraw/zinc/40/96/13/931409613.db2.gz QRIBKGIIOBJFIL-MRXNPFEDSA-N 2 0 296.503 1.702 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001147359766 932482413 /nfs/dbraw/zinc/48/24/13/932482413.db2.gz VDHAVNQRACNZMB-OAHLLOKOSA-N 2 0 281.444 1.923 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148365252 932701075 /nfs/dbraw/zinc/70/10/75/932701075.db2.gz MYMSKVGSCOBBST-UHFFFAOYSA-N 2 0 255.406 1.390 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001114841658 935015166 /nfs/dbraw/zinc/01/51/66/935015166.db2.gz ZRNKZLAKHSOIHB-FOLVSLTJSA-N 2 0 293.455 1.587 20 30 CDEDRP CC(C)CCNC(=[NH2+])NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000303789157 935043815 /nfs/dbraw/zinc/04/38/15/935043815.db2.gz VEGFFXCGABKYFL-AWEZNQCLSA-N 2 0 284.448 1.294 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001121930600 937891534 /nfs/dbraw/zinc/89/15/34/937891534.db2.gz NTGRJBCEMWAOFL-GJZGRUSLSA-N 2 0 279.428 1.661 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)Cn1ccnc1 ZINC001157293248 938475937 /nfs/dbraw/zinc/47/59/37/938475937.db2.gz DQKFNBSPTYHORE-CYBMUJFWSA-N 2 0 264.373 1.286 20 30 CDEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161091037 938870644 /nfs/dbraw/zinc/87/06/44/938870644.db2.gz ZTSSOUNQKHEYDZ-UHFFFAOYSA-N 2 0 279.428 1.653 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc(C#N)c(C)n1 ZINC001163129012 939207914 /nfs/dbraw/zinc/20/79/14/939207914.db2.gz RPJAARRRNBLANK-UHFFFAOYSA-N 2 0 274.372 1.540 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163223455 939229255 /nfs/dbraw/zinc/22/92/55/939229255.db2.gz ISBKFLQVKIGKGO-CQSZACIVSA-N 2 0 299.846 1.709 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001163822155 939337598 /nfs/dbraw/zinc/33/75/98/939337598.db2.gz TYUDELDZEFJTAR-AWEZNQCLSA-N 2 0 279.428 1.533 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001164449366 939473972 /nfs/dbraw/zinc/47/39/72/939473972.db2.gz JDYIVBNFEDKOEV-OAHLLOKOSA-N 2 0 281.444 1.780 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001164576071 939495184 /nfs/dbraw/zinc/49/51/84/939495184.db2.gz MOKUZDWWZWEDOF-LSDHHAIUSA-N 2 0 291.439 1.226 20 30 CDEDRP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001281956527 945263994 /nfs/dbraw/zinc/26/39/94/945263994.db2.gz FZFLXPIJWPQEJF-GJZGRUSLSA-N 2 0 281.444 1.826 20 30 CDEDRP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203520000 939690638 /nfs/dbraw/zinc/69/06/38/939690638.db2.gz CJEUBHFYADEVNX-HUUCEWRRSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203523292 939690795 /nfs/dbraw/zinc/69/07/95/939690795.db2.gz QEEYNJZLHZIFDU-HUUCEWRRSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203523290 939690843 /nfs/dbraw/zinc/69/08/43/939690843.db2.gz QEEYNJZLHZIFDU-GJZGRUSLSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203577610 939694418 /nfs/dbraw/zinc/69/44/18/939694418.db2.gz RKEISZJNKGRTQT-LSDHHAIUSA-N 2 0 291.439 1.369 20 30 CDEDRP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205242087 939840598 /nfs/dbraw/zinc/84/05/98/939840598.db2.gz WBBFVPWJDQBBPV-INIZCTEOSA-N 2 0 273.380 1.542 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001205519049 939896147 /nfs/dbraw/zinc/89/61/47/939896147.db2.gz SRFOKAGEXKMBCG-OAHLLOKOSA-N 2 0 279.428 1.178 20 30 CDEDRP C[C@@H]1CC[N@H+](Cc2cc(C#N)ccn2)CC[C@H]1C[NH3+] ZINC001205639234 939911248 /nfs/dbraw/zinc/91/12/48/939911248.db2.gz XTVDMXVEOPLQEO-OCCSQVGLSA-N 2 0 258.369 1.760 20 30 CDEDRP N#CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206166462 939989560 /nfs/dbraw/zinc/98/95/60/939989560.db2.gz SNWZCNQBSWXULE-GJZGRUSLSA-N 2 0 277.343 1.850 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001208362137 940324101 /nfs/dbraw/zinc/32/41/01/940324101.db2.gz KZMDXSOQWZXZOJ-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208698582 940371394 /nfs/dbraw/zinc/37/13/94/940371394.db2.gz FKRZMKVXXAFUPD-KFWWJZLASA-N 2 0 281.444 1.729 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209323109 940460805 /nfs/dbraw/zinc/46/08/05/940460805.db2.gz FKJFHLUVNWHKFO-AWEZNQCLSA-N 2 0 267.417 1.485 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001209588312 940613756 /nfs/dbraw/zinc/61/37/56/940613756.db2.gz GOTXQQOPIJKZSV-CABCVRRESA-N 2 0 279.428 1.321 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210685282 940706799 /nfs/dbraw/zinc/70/67/99/940706799.db2.gz RVIBMXNSBIMYSG-AWEZNQCLSA-N 2 0 277.412 1.239 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215540595 940893200 /nfs/dbraw/zinc/89/32/00/940893200.db2.gz NJOABZSHQRNPMW-ARFHVFGLSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1Oc1n[nH]c2c1CCC[NH2+]C2 ZINC001218452206 941219473 /nfs/dbraw/zinc/21/94/73/941219473.db2.gz RMOGCVWIRGZRCZ-TZMCWYRMSA-N 2 0 276.384 1.521 20 30 CDEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1ccc(O)c(C#N)c1 ZINC001218955283 941292954 /nfs/dbraw/zinc/29/29/54/941292954.db2.gz YZPLRAUJCYAJBD-ZDUSSCGKSA-N 2 0 290.367 1.262 20 30 CDEDRP COc1cc(C#N)c(F)cc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219109922 941309073 /nfs/dbraw/zinc/30/90/73/941309073.db2.gz HOFSJSPFCPTMPY-NSHDSACASA-N 2 0 294.330 1.101 20 30 CDEDRP C#Cc1ccc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])cc1F ZINC001219383744 941338503 /nfs/dbraw/zinc/33/85/03/941338503.db2.gz BEWYDUOSPBKEMK-ZDUSSCGKSA-N 2 0 263.316 1.202 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC001220868172 941478924 /nfs/dbraw/zinc/47/89/24/941478924.db2.gz DKFYTHJXKWUYPD-RDBSUJKOSA-N 2 0 265.401 1.141 20 30 CDEDRP N#Cc1ccc(CCC[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222492545 941602406 /nfs/dbraw/zinc/60/24/06/941602406.db2.gz ZTBALYBUIBRSEH-ROUUACIJSA-N 2 0 298.434 1.517 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001225435647 941858724 /nfs/dbraw/zinc/85/87/24/941858724.db2.gz MPTMEMIXAJXPHS-UHFFFAOYSA-N 2 0 265.401 1.096 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](C)C ZINC001227038576 942119645 /nfs/dbraw/zinc/11/96/45/942119645.db2.gz HACRIEQFQUGFGH-RBSFLKMASA-N 2 0 281.444 1.920 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001227619093 942198116 /nfs/dbraw/zinc/19/81/16/942198116.db2.gz NFYFYVXYNNXHIO-HNNXBMFYSA-N 2 0 299.434 1.823 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001265938162 944585375 /nfs/dbraw/zinc/58/53/75/944585375.db2.gz KBVRNWPIQPUJMT-INIZCTEOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001258722923 945393529 /nfs/dbraw/zinc/39/35/29/945393529.db2.gz WNQIGFWBISRDOB-AAVRWANBSA-N 2 0 256.390 1.656 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])N[C@H]1CC[C@H](C#N)C1 ZINC001254654859 947574836 /nfs/dbraw/zinc/57/48/36/947574836.db2.gz XQILUVILJXEWLP-RYUDHWBXSA-N 2 0 251.378 1.134 20 30 CDEDRP CC[C@@H](CC#N)[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001255162745 947758941 /nfs/dbraw/zinc/75/89/41/947758941.db2.gz YADMDMRAFFSAII-KKUMJFAQSA-N 2 0 265.401 1.912 20 30 CDEDRP CCCCCCCC[C@H](O)C[NH2+][C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001245977601 947874199 /nfs/dbraw/zinc/87/41/99/947874199.db2.gz HIHYZOTWUMIMSC-XUWVNRHRSA-N 2 0 284.444 1.674 20 30 CDEDRP CCCCCCCC[C@H](O)CN1CC[NH2+]C[C@@H](O)C1 ZINC001246029876 947911253 /nfs/dbraw/zinc/91/12/53/947911253.db2.gz DDOFQFBYLHHDGA-LSDHHAIUSA-N 2 0 272.433 1.364 20 30 CDEDRP C[C@H](CCCC#N)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246146932 947988627 /nfs/dbraw/zinc/98/86/27/947988627.db2.gz OXXJVPBXTZMIDV-KGLIPLIRSA-N 2 0 264.417 1.533 20 30 CDEDRP C=CCOCc1nn([C@@H]2CC[C@H](C)[NH2+]C2)c2c1C[NH2+]C2 ZINC001246705149 948412096 /nfs/dbraw/zinc/41/20/96/948412096.db2.gz XEIMEPFVFMMXTM-NWDGAFQWSA-N 2 0 276.384 1.502 20 30 CDEDRP C[NH+]1CCC(C#N)(N[C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256909981 948451341 /nfs/dbraw/zinc/45/13/41/948451341.db2.gz VTYLKDWCSFPNQL-OAHLLOKOSA-N 2 0 290.455 1.971 20 30 CDEDRP N#Cc1ccc(C2CCC([NH2+]C[C@@H](O)C[NH3+])CC2)cc1 ZINC001257009466 948480850 /nfs/dbraw/zinc/48/08/50/948480850.db2.gz LFMFFHOPPOACMJ-GPANFISMSA-N 2 0 273.380 1.494 20 30 CDEDRP C=C1C[C@@H]2CC([N@@H+]3C[C@@H](C(=O)OC)[C@H](N)C3)C[C@H](C1)C2 ZINC001246928744 948523955 /nfs/dbraw/zinc/52/39/55/948523955.db2.gz AGLZYOWJAWBFIY-JSPOSNOBSA-N 2 0 278.396 1.553 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001252491154 951360312 /nfs/dbraw/zinc/36/03/12/951360312.db2.gz PBTCUMRIOYDMNX-QGZVFWFLSA-N 2 0 296.455 1.794 20 30 CDEDRP C=C[C@@](C)(O)C[NH2+]CC1CC[NH+](Cc2cccnc2)CC1 ZINC001252579659 951471479 /nfs/dbraw/zinc/47/14/79/951471479.db2.gz NWWCPYGJQQPRHP-QGZVFWFLSA-N 2 0 289.423 1.820 20 30 CDEDRP C=CCC[C@@H](O)C[NH2+]C1CC[NH+](CC2CCOCC2)CC1 ZINC001252619901 951511079 /nfs/dbraw/zinc/51/10/79/951511079.db2.gz PEYWLQDKKKPJMI-QGZVFWFLSA-N 2 0 296.455 1.794 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001340061066 962720000 /nfs/dbraw/zinc/72/00/00/962720000.db2.gz HCKTWZFTUDNYSY-DGCLKSJQSA-N 2 0 251.374 1.023 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001341601558 963480445 /nfs/dbraw/zinc/48/04/45/963480445.db2.gz WXIZLPDIJGTMNX-LSDHHAIUSA-N 2 0 281.444 1.764 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1CC ZINC001341632492 963490909 /nfs/dbraw/zinc/49/09/09/963490909.db2.gz VWMYFQQZZFXYTQ-CHWSQXEVSA-N 2 0 253.390 1.271 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001100377874 968166155 /nfs/dbraw/zinc/16/61/55/968166155.db2.gz NXFMYCAIYUPMQI-NRXISQOPSA-N 2 0 297.418 1.174 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001100457341 968409847 /nfs/dbraw/zinc/40/98/47/968409847.db2.gz ZBDKLZPYILCIMG-UHFFFAOYSA-N 2 0 281.444 1.777 20 30 CDEDRP C=CCOCC[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100619942 968809304 /nfs/dbraw/zinc/80/93/04/968809304.db2.gz PERGQKQIGIIUGI-UHFFFAOYSA-N 2 0 297.443 1.015 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001100678761 968932698 /nfs/dbraw/zinc/93/26/98/968932698.db2.gz VYJMKKMYSDDKBZ-QQFBHYJXSA-N 2 0 293.455 1.779 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001497828227 973542490 /nfs/dbraw/zinc/54/24/90/973542490.db2.gz VEIYUBCRJHNMDM-LLVKDONJSA-N 2 0 273.808 1.318 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C[N@H+](C)C1CCC1 ZINC001373757739 973624599 /nfs/dbraw/zinc/62/45/99/973624599.db2.gz IBYYLSNNRGBCTC-LBPRGKRZSA-N 2 0 287.835 1.708 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001418348417 973759371 /nfs/dbraw/zinc/75/93/71/973759371.db2.gz ZRDGZJFXGAVXFN-ZDUSSCGKSA-N 2 0 299.846 1.661 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001374206273 973833463 /nfs/dbraw/zinc/83/34/63/973833463.db2.gz NIMXGFSDGJZRQA-NWDGAFQWSA-N 2 0 273.808 1.270 20 30 CDEDRP C=CCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132410225 1163278820 /nfs/dbraw/zinc/27/88/20/1163278820.db2.gz KIZILYKQYUATLC-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001133073273 1163551804 /nfs/dbraw/zinc/55/18/04/1163551804.db2.gz SBGNFPBUOVWFGS-HOTGVXAUSA-N 2 0 293.455 1.426 20 30 CDEDRP C#CC[C@@H](COC)[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001574504158 1170986570 /nfs/dbraw/zinc/98/65/70/1170986570.db2.gz CFOTWXDOHACOAF-DKUMPPAJSA-N 2 0 250.386 1.535 20 30 CDEDRP C#CCOCC[NH+]1CCC2(CCC[C@H]2C[NH3+])CC1 ZINC001574735598 1170999787 /nfs/dbraw/zinc/99/97/87/1170999787.db2.gz KRSSACJWRXYHHU-AWEZNQCLSA-N 2 0 250.386 1.477 20 30 CDEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCN1CC[NH2+]CC1 ZINC000591577110 342637644 /nfs/dbraw/zinc/63/76/44/342637644.db2.gz HFMBYQQCLBLWIS-QGZVFWFLSA-N 2 0 284.407 1.430 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000592313347 342684425 /nfs/dbraw/zinc/68/44/25/342684425.db2.gz DSTZYIKFOPVDLM-ZDUSSCGKSA-N 2 0 265.401 1.095 20 30 CDEDRP N#Cc1ccc(CC[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000595892190 343182263 /nfs/dbraw/zinc/18/22/63/343182263.db2.gz LVWLEMSOEOPSKT-QGZVFWFLSA-N 2 0 284.407 1.080 20 30 CDEDRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598726605 343885657 /nfs/dbraw/zinc/88/56/57/343885657.db2.gz UPSMPMIHWFSZHM-RUXDESIVSA-N 2 0 267.417 1.750 20 30 CDEDRP CC#CC[C@H](CO)[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000641768710 365835657 /nfs/dbraw/zinc/83/56/57/365835657.db2.gz GLGYIUBGGVCMRR-NXHRZFHOSA-N 2 0 286.419 1.871 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)C(C)C)CC1 ZINC000068080229 347559544 /nfs/dbraw/zinc/55/95/44/347559544.db2.gz YKEKBZIRUQJOII-UHFFFAOYSA-N 2 0 279.428 1.178 20 30 CDEDRP CC[N@H+](C)C[C@H]1CCN(Cc2cccc(C#N)n2)C1 ZINC000602479400 350113195 /nfs/dbraw/zinc/11/31/95/350113195.db2.gz KFIITKQLFPCGND-CYBMUJFWSA-N 2 0 258.369 1.727 20 30 CDEDRP N#Cc1cccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)n1 ZINC000602554257 350125324 /nfs/dbraw/zinc/12/53/24/350125324.db2.gz ZRPGMEGLUKPQQV-INIZCTEOSA-N 2 0 288.395 1.280 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621646458 350688820 /nfs/dbraw/zinc/68/88/20/350688820.db2.gz WNHXSGALFOZHTA-CQSZACIVSA-N 2 0 279.428 1.533 20 30 CDEDRP COc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)ccc1C#N ZINC000414857469 356687516 /nfs/dbraw/zinc/68/75/16/356687516.db2.gz PNRUFBBDCIKZGN-ZDUSSCGKSA-N 2 0 259.353 1.656 20 30 CDEDRP C[C@H](C(=O)NC1(C#N)CCC1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000562300116 361236314 /nfs/dbraw/zinc/23/63/14/361236314.db2.gz FWXLBSNHJLUZQW-KGLIPLIRSA-N 2 0 292.427 1.211 20 30 CDEDRP C=CCN1CCC([NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000248199466 361310632 /nfs/dbraw/zinc/31/06/32/361310632.db2.gz YEFCDBLZKVVCDS-GOEBONIOSA-N 2 0 265.445 1.957 20 30 CDEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000192842695 363998815 /nfs/dbraw/zinc/99/88/15/363998815.db2.gz XGAHMHVFXOUYBM-ILXRZTDVSA-N 2 0 264.417 1.294 20 30 CDEDRP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])Nc1ccccn1 ZINC000170913335 365162786 /nfs/dbraw/zinc/16/27/86/365162786.db2.gz AVMGLEXEANZIFN-GFCCVEGCSA-N 2 0 261.373 1.683 20 30 CDEDRP C=CCOCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000339005831 391240168 /nfs/dbraw/zinc/24/01/68/391240168.db2.gz CLUUKNCEMFHWQP-HNNXBMFYSA-N 2 0 252.402 1.997 20 30 CDEDRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)NC(=O)NC)CC1 ZINC000330500131 391436999 /nfs/dbraw/zinc/43/69/99/391436999.db2.gz NEDFEQDZFDWLFC-GFCCVEGCSA-N 2 0 298.431 1.089 20 30 CDEDRP CCN1CC[NH+](CCCC[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442724358 391747989 /nfs/dbraw/zinc/74/79/89/391747989.db2.gz ZHCQOTVYWMMBRQ-HOTGVXAUSA-N 2 0 278.444 1.686 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCc2cccc(OCC[NH+](C)C)c2)N1 ZINC000262420374 391783248 /nfs/dbraw/zinc/78/32/48/391783248.db2.gz BDFFOFYATDGJFJ-GFCCVEGCSA-N 2 0 276.384 1.064 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1cc(C#N)ncn1 ZINC000520322663 392854508 /nfs/dbraw/zinc/85/45/08/392854508.db2.gz NJHPFESAIGMUQZ-UHFFFAOYSA-N 2 0 290.415 1.058 20 30 CDEDRP CNC(=[NH2+])NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000161528986 261081053 /nfs/dbraw/zinc/08/10/53/261081053.db2.gz NBQDTBFYLVJZBF-CQSZACIVSA-N 2 0 260.385 1.575 20 30 CDEDRP CC[NH+](CC)CCOc1ccc(CNC(N)=[NH2+])cc1OC ZINC000161522710 261249835 /nfs/dbraw/zinc/24/98/35/261249835.db2.gz NXIJUJAASJENRT-UHFFFAOYSA-N 2 0 294.399 1.189 20 30 CDEDRP CCNC(=[NH2+])NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000264321064 262887507 /nfs/dbraw/zinc/88/75/07/262887507.db2.gz XSLLLCVNRWLBIY-UHFFFAOYSA-N 2 0 278.400 1.094 20 30 CDEDRP C=CCCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414705117 263033440 /nfs/dbraw/zinc/03/34/40/263033440.db2.gz NOGDSQAFTWMZPD-OAHLLOKOSA-N 2 0 281.444 1.862 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)C(C)C ZINC000165201382 264210539 /nfs/dbraw/zinc/21/05/39/264210539.db2.gz VXBONYRNEWTCNJ-CVEARBPZSA-N 2 0 293.455 1.943 20 30 CDEDRP CC[NH+]=C(NC[C@](C)(O)CC)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000127818290 264265557 /nfs/dbraw/zinc/26/55/57/264265557.db2.gz GNFSLTBAGNJEKV-GDBMZVCRSA-N 2 0 294.443 1.059 20 30 CDEDRP C[NH+]=C(NCc1cc(C)no1)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261849392 328142564 /nfs/dbraw/zinc/14/25/64/328142564.db2.gz XTQXJZSETAOBKU-HZMBPMFUSA-N 2 0 291.399 1.131 20 30 CDEDRP COCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000267398072 328178183 /nfs/dbraw/zinc/17/81/83/328178183.db2.gz FIPOADNJJCHXFW-HNNXBMFYSA-N 2 0 290.411 1.202 20 30 CDEDRP CC[NH+]=C(NCC[NH+]1CCCC1)N1CCS[C@@H](CC)C1 ZINC000179126622 329205457 /nfs/dbraw/zinc/20/54/57/329205457.db2.gz DKLPPOFRHOLCTO-AWEZNQCLSA-N 2 0 298.500 1.875 20 30 CDEDRP C[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)N1CC[NH+](C)CC1 ZINC000185822367 329329880 /nfs/dbraw/zinc/32/98/80/329329880.db2.gz ZYCJCKYQBAYGKL-ILXRZTDVSA-N 2 0 264.417 1.294 20 30 CDEDRP C[NH+](C)C1CCN(CC[NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000583747978 329472376 /nfs/dbraw/zinc/47/23/76/329472376.db2.gz LIHIBEASVCLRQJ-AWEZNQCLSA-N 2 0 277.416 1.046 20 30 CDEDRP CC(C)C[N@@H+]1CCC[C@@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000262655379 330024816 /nfs/dbraw/zinc/02/48/16/330024816.db2.gz LLSRVYCCNQALBI-OLZOCXBDSA-N 2 0 252.406 1.292 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000262896763 330036287 /nfs/dbraw/zinc/03/62/87/330036287.db2.gz XINISJZYMVXTEK-CYBMUJFWSA-N 2 0 250.390 1.484 20 30 CDEDRP CC1(C)CCC[N@@H+]1CCNC(=[NH2+])Nc1ccccn1 ZINC000263034994 330039981 /nfs/dbraw/zinc/03/99/81/330039981.db2.gz BRGITSDNWHOLAH-UHFFFAOYSA-N 2 0 261.373 1.683 20 30 CDEDRP C=CC[C@H](C)[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422977810 330162264 /nfs/dbraw/zinc/16/22/64/330162264.db2.gz GHBMKIROKRRVHU-QWHCGFSZSA-N 2 0 268.401 1.862 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423096585 330169824 /nfs/dbraw/zinc/16/98/24/330169824.db2.gz PMIDPIKGNVJGON-YJNKXOJESA-N 2 0 252.402 1.945 20 30 CDEDRP CCOC(=O)C1([C@@H](C)[NH2+]CC2(CC#N)CC2)CC[NH2+]CC1 ZINC000423095915 330169848 /nfs/dbraw/zinc/16/98/48/330169848.db2.gz NQRFNXINUCYCPJ-CYBMUJFWSA-N 2 0 293.411 1.591 20 30 CDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423152209 330173136 /nfs/dbraw/zinc/17/31/36/330173136.db2.gz LFFDSWONRSCOAC-MJBXVCDLSA-N 2 0 296.411 1.241 20 30 CDEDRP CC(C)CN(C(=O)[C@H]([NH3+])CCCC#N)C1CC[NH+](C)CC1 ZINC000424190528 330322934 /nfs/dbraw/zinc/32/29/34/330322934.db2.gz MNHPZZMHZSOAMY-OAHLLOKOSA-N 2 0 294.443 1.586 20 30 CDEDRP C=CCNC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121907317 330408260 /nfs/dbraw/zinc/40/82/60/330408260.db2.gz AXXBRHDGNJEMSU-UHFFFAOYSA-N 2 0 293.455 1.877 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000490590345 332093786 /nfs/dbraw/zinc/09/37/86/332093786.db2.gz QSROJDROBFIOKB-HZPDHXFCSA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001731651611 1159321057 /nfs/dbraw/zinc/32/10/57/1159321057.db2.gz GCSNMDCRAJQNFP-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cn1ccnc1 ZINC001752157404 1159456257 /nfs/dbraw/zinc/45/62/57/1159456257.db2.gz PTGCZBFBWOONCL-HUUCEWRRSA-N 2 0 288.395 1.266 20 30 CDEDRP C#CC[NH+]1CCCC2(CN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001755458474 1160183607 /nfs/dbraw/zinc/18/36/07/1160183607.db2.gz ICMQZVHJIQYKSN-UHFFFAOYSA-N 2 0 291.439 1.276 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001106339478 1161145676 /nfs/dbraw/zinc/14/56/76/1161145676.db2.gz NVRHWLKHPOFXCY-ZIAGYGMSSA-N 2 0 281.444 1.587 20 30 CDEDRP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001755315481 1185913084 /nfs/dbraw/zinc/91/30/84/1185913084.db2.gz RGDINLDXMRIZOQ-CABCVRRESA-N 2 0 281.444 1.567 20 30 CDEDRP C#CCOCC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000753768832 576858596 /nfs/dbraw/zinc/85/85/96/576858596.db2.gz NIXYRKNTMJFZNY-HZPDHXFCSA-N 2 0 282.428 1.363 20 30 CDEDRP C#CCCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000755235216 576937216 /nfs/dbraw/zinc/93/72/16/576937216.db2.gz HRBCDSNJBKXUHI-UHFFFAOYSA-N 2 0 277.456 1.749 20 30 CDEDRP C=C(C)C[N@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001689950244 1175318642 /nfs/dbraw/zinc/31/86/42/1175318642.db2.gz INXILDMFBHSQPY-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000939316001 612969805 /nfs/dbraw/zinc/96/98/05/612969805.db2.gz PMQKGSMLZQVDEL-RHSMWYFYSA-N 2 0 299.418 1.432 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948041071 613026478 /nfs/dbraw/zinc/02/64/78/613026478.db2.gz XVUOADSOCCWZQG-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000950006856 613256845 /nfs/dbraw/zinc/25/68/45/613256845.db2.gz KYDINFUQSQCZCY-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000982149016 613305049 /nfs/dbraw/zinc/30/50/49/613305049.db2.gz GEADSDPVMSVCBV-UHFFFAOYSA-N 2 0 291.439 1.583 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944171091 613326904 /nfs/dbraw/zinc/32/69/04/613326904.db2.gz WFMPMJDDSDWCNK-LSDHHAIUSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000968967574 613348181 /nfs/dbraw/zinc/34/81/81/613348181.db2.gz VISKFIJBXKTYGX-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000968738539 613385417 /nfs/dbraw/zinc/38/54/17/613385417.db2.gz ZPONXWAREZWHBN-HZSPNIEDSA-N 2 0 299.846 1.660 20 30 CDEDRP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982150785 613489323 /nfs/dbraw/zinc/48/93/23/613489323.db2.gz VAJFKDPKZVMEGG-HNNXBMFYSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000981960322 613494294 /nfs/dbraw/zinc/49/42/94/613494294.db2.gz ULXCXMVUEYBZHW-LSDHHAIUSA-N 2 0 279.428 1.295 20 30 CDEDRP C=CCC[N@H+]1CCCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000981978418 613495083 /nfs/dbraw/zinc/49/50/83/613495083.db2.gz WNWMRPDWSKMULI-AWEZNQCLSA-N 2 0 267.417 1.437 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967265875 613735663 /nfs/dbraw/zinc/73/56/63/613735663.db2.gz XVNVTUDWCUEVBI-CZUORRHYSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970177323 613864458 /nfs/dbraw/zinc/86/44/58/613864458.db2.gz SADCCMQRICFTTD-CABCVRRESA-N 2 0 279.428 1.626 20 30 CDEDRP C#CCOCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000851925746 617732377 /nfs/dbraw/zinc/73/23/77/617732377.db2.gz AAFHMMSLGVFHFB-LSDHHAIUSA-N 2 0 264.413 1.879 20 30 CDEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000924967048 618484583 /nfs/dbraw/zinc/48/45/83/618484583.db2.gz WAJITRRFYWPBDK-UONOGXRCSA-N 2 0 294.443 1.492 20 30 CDEDRP C[NH+](C)CC#CCNc1ncnc2c1cnn2C(C)(C)C ZINC000894876404 619114211 /nfs/dbraw/zinc/11/42/11/619114211.db2.gz QSGNVVAVUXNRBU-UHFFFAOYSA-N 2 0 286.383 1.558 20 30 CDEDRP N#Cc1cccc(CN2CCC([NH2+]C3CC(C[NH3+])C3)CC2)c1 ZINC000904375831 626274476 /nfs/dbraw/zinc/27/44/76/626274476.db2.gz HESQRQIOHKMIPH-UHFFFAOYSA-N 2 0 298.434 1.850 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911880103 629606866 /nfs/dbraw/zinc/60/68/66/629606866.db2.gz RDIKGXJINNUIEL-CABCVRRESA-N 2 0 298.475 1.166 20 30 CDEDRP CC(=NNC(N)=[NH2+])c1ccc(O)c(C[NH+]2CCCCC2)c1 ZINC000915050877 631634735 /nfs/dbraw/zinc/63/47/35/631634735.db2.gz MESLPXSXHITDCR-UHFFFAOYSA-N 2 0 289.383 1.585 20 30 CDEDRP N#Cc1ccc(OCCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000916739685 632069255 /nfs/dbraw/zinc/06/92/55/632069255.db2.gz GTOACWWXODCPLW-GJZGRUSLSA-N 2 0 271.364 1.478 20 30 CDEDRP C[N@H+](CC(=O)NCC[NH2+]CC#Cc1ccccc1)C1CCC1 ZINC001129526726 1162480185 /nfs/dbraw/zinc/48/01/85/1162480185.db2.gz PPULNNAJGCCPKH-UHFFFAOYSA-N 2 0 299.418 1.228 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129842551 1162499778 /nfs/dbraw/zinc/49/97/78/1162499778.db2.gz ZZSFIPMUPRXXOB-ZDUSSCGKSA-N 2 0 253.390 1.143 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130808749 1162722221 /nfs/dbraw/zinc/72/22/21/1162722221.db2.gz PIZRQYJHIPBMIB-UHFFFAOYSA-N 2 0 265.401 1.287 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001088899246 1161038132 /nfs/dbraw/zinc/03/81/32/1161038132.db2.gz UJLTWBNQEGZFFW-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001133262718 1163616613 /nfs/dbraw/zinc/61/66/13/1163616613.db2.gz LUFKJGCQPIKIHK-HOTGVXAUSA-N 2 0 293.455 1.426 20 30 CDEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176192908 1164307123 /nfs/dbraw/zinc/30/71/23/1164307123.db2.gz QCDQFKMILMABAT-HNNXBMFYSA-N 2 0 291.439 1.370 20 30 CDEDRP C=CC1(CC(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)C[NH2+]C1 ZINC001574879629 1171034980 /nfs/dbraw/zinc/03/49/80/1171034980.db2.gz DIKKGDJRJDUSTO-CQSZACIVSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713838429 1178788093 /nfs/dbraw/zinc/78/80/93/1178788093.db2.gz JXSZMRCHQPYDFL-CABCVRRESA-N 2 0 279.428 1.483 20 30 CDEDRP CC#CC[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001723181020 1181524462 /nfs/dbraw/zinc/52/44/62/1181524462.db2.gz DWNCLHAULVPGRL-CQSZACIVSA-N 2 0 267.417 1.034 20 30 CDEDRP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001753358288 1184444352 /nfs/dbraw/zinc/44/43/52/1184444352.db2.gz NRLWMKNIKJTFQG-AWEZNQCLSA-N 2 0 290.411 1.617 20 30 CDEDRP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001752842206 1184929422 /nfs/dbraw/zinc/92/94/22/1184929422.db2.gz VSLFQJHLSRRXSU-GJZGRUSLSA-N 2 0 279.428 1.178 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001753334739 1185159583 /nfs/dbraw/zinc/15/95/83/1185159583.db2.gz HFEMOVFPJUFSNN-HNNXBMFYSA-N 2 0 281.444 1.733 20 30 CDEDRP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001753349899 1185165893 /nfs/dbraw/zinc/16/58/93/1185165893.db2.gz YDOXDBHYTOXJSV-QLFBSQMISA-N 2 0 279.428 1.293 20 30 CDEDRP C=CCCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001753397351 1185185549 /nfs/dbraw/zinc/18/55/49/1185185549.db2.gz KRAVJBKZKLXCHX-AWEZNQCLSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001753473204 1185226621 /nfs/dbraw/zinc/22/66/21/1185226621.db2.gz FWLKBTFDDATWIU-CVEARBPZSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CC[NH2+]C/C=C\CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001754194319 1185500368 /nfs/dbraw/zinc/50/03/68/1185500368.db2.gz VOAISYBLNVHBGZ-ARJAWSKDSA-N 2 0 291.439 1.556 20 30 CDEDRP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001754320176 1185573686 /nfs/dbraw/zinc/57/36/86/1185573686.db2.gz UDRFPILGKFODOU-CQSZACIVSA-N 2 0 281.444 1.873 20 30 CDEDRP CC#CC[N@H+](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001754335219 1185586504 /nfs/dbraw/zinc/58/65/04/1185586504.db2.gz AFPQFAMWIDYZQP-OAHLLOKOSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001754336410 1185586847 /nfs/dbraw/zinc/58/68/47/1185586847.db2.gz LJAULQRYCMLALN-GJZGRUSLSA-N 2 0 281.444 1.729 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001754616278 1185685045 /nfs/dbraw/zinc/68/50/45/1185685045.db2.gz WGMXAMVYOVJUSV-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1 ZINC001754980702 1185778493 /nfs/dbraw/zinc/77/84/93/1185778493.db2.gz NVNNDTIWZBIEOS-LSDHHAIUSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001755166830 1185836677 /nfs/dbraw/zinc/83/66/77/1185836677.db2.gz GVTBSZAPIXACOV-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)Cc1[nH]cnc1C ZINC001755324458 1185917735 /nfs/dbraw/zinc/91/77/35/1185917735.db2.gz MIPQFYWKKPTULR-NSHDSACASA-N 2 0 264.373 1.273 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032026194 697770714 /nfs/dbraw/zinc/77/07/14/697770714.db2.gz AINWTIWLQBBKFQ-INIZCTEOSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028004243 697802100 /nfs/dbraw/zinc/80/21/00/697802100.db2.gz WNZAAEDDSTYYGT-HNNXBMFYSA-N 2 0 296.374 1.552 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]C(C)C)C2)CC1 ZINC000999876605 697815101 /nfs/dbraw/zinc/81/51/01/697815101.db2.gz OXJXDLOWWWVUKO-UHFFFAOYSA-N 2 0 291.439 1.319 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001000223285 697816689 /nfs/dbraw/zinc/81/66/89/697816689.db2.gz FYAFMXMESINOME-OLZOCXBDSA-N 2 0 287.835 1.660 20 30 CDEDRP C=CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001033416572 697854727 /nfs/dbraw/zinc/85/47/27/697854727.db2.gz QHSWRIRHHQBIIF-UONOGXRCSA-N 2 0 265.401 1.189 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001036112677 697869189 /nfs/dbraw/zinc/86/91/89/697869189.db2.gz MESIQIXOLFDJEI-CZUORRHYSA-N 2 0 296.374 1.408 20 30 CDEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001005998876 697943297 /nfs/dbraw/zinc/94/32/97/697943297.db2.gz VNALGFRQLPUEBP-ZBFHGGJFSA-N 2 0 291.439 1.130 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000999402126 697990658 /nfs/dbraw/zinc/99/06/58/697990658.db2.gz DSHANQSDPVEJIH-LMWSTFAQSA-N 2 0 299.846 1.660 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CC1(C)C ZINC000995952666 697992144 /nfs/dbraw/zinc/99/21/44/697992144.db2.gz RUFHBCOHDZRKAY-KGLIPLIRSA-N 2 0 281.444 1.729 20 30 CDEDRP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033144131 697992269 /nfs/dbraw/zinc/99/22/69/697992269.db2.gz RVVCPNKCYGDWPI-HOTGVXAUSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001014724788 698034079 /nfs/dbraw/zinc/03/40/79/698034079.db2.gz WYXCLVFISVMLJT-KGLIPLIRSA-N 2 0 288.395 1.527 20 30 CDEDRP C[C@@H]1CN(C(C)(C)CNC(=[NH2+])N2CCCCC2)C[C@H](C)O1 ZINC000104159010 698047192 /nfs/dbraw/zinc/04/71/92/698047192.db2.gz ALWPKSXPOGRAOC-OKILXGFUSA-N 2 0 296.459 1.675 20 30 CDEDRP C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001032400170 698057755 /nfs/dbraw/zinc/05/77/55/698057755.db2.gz WPPZUZIGUSMWOQ-JYJNAYRXSA-N 2 0 291.439 1.720 20 30 CDEDRP CCN(CC)C(=[NH2+])NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000303890231 698123125 /nfs/dbraw/zinc/12/31/25/698123125.db2.gz MMAZAAJMKOZLCE-CHWSQXEVSA-N 2 0 254.422 1.906 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC ZINC001037847581 698241006 /nfs/dbraw/zinc/24/10/06/698241006.db2.gz AMBZNZKABLQYJB-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]cnc3C)[C@@H]2C1 ZINC001076504946 698280223 /nfs/dbraw/zinc/28/02/23/698280223.db2.gz ZPRXRTRGYJNTRF-DZGCQCFKSA-N 2 0 288.395 1.369 20 30 CDEDRP CC[C@@H]1CN(C(NC[C@H]2CC[N@H+](C)C2)=[NH+]C)CCS1 ZINC000262002274 698283025 /nfs/dbraw/zinc/28/30/25/698283025.db2.gz UFWFVSAAAGJLJS-CHWSQXEVSA-N 2 0 284.473 1.341 20 30 CDEDRP C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000104172514 698284040 /nfs/dbraw/zinc/28/40/40/698284040.db2.gz VVAJKMQMVOGONR-CHWSQXEVSA-N 2 0 264.417 1.517 20 30 CDEDRP COc1ccc(OC)c(NC(=[NH2+])NCC[N@H+](C)C(C)C)c1 ZINC000303980015 698284393 /nfs/dbraw/zinc/28/43/93/698284393.db2.gz NSKQDEUBMDTDLC-UHFFFAOYSA-N 2 0 294.399 1.771 20 30 CDEDRP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@H]2C1 ZINC001049233346 698306168 /nfs/dbraw/zinc/30/61/68/698306168.db2.gz MMWDYFILBCWLNO-XHSDSOJGSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)CN1CC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001044033908 698320829 /nfs/dbraw/zinc/32/08/29/698320829.db2.gz ZWSZGBBOFLIRCM-GDBMZVCRSA-N 2 0 291.439 1.722 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ncccc1F ZINC000130590720 698359169 /nfs/dbraw/zinc/35/91/69/698359169.db2.gz ZUHGKSDUGYBHQC-LLVKDONJSA-N 2 0 279.363 1.109 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001052658709 698359202 /nfs/dbraw/zinc/35/92/02/698359202.db2.gz XLXAXJFGEPQFND-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071994085 698446496 /nfs/dbraw/zinc/44/64/96/698446496.db2.gz CGSYUZHANHDEMX-HUUCEWRRSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049480193 698508175 /nfs/dbraw/zinc/50/81/75/698508175.db2.gz DXTCGEZRUDFHAB-KLHDSHLOSA-N 2 0 289.423 1.025 20 30 CDEDRP Cc1cc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)ccc1C#N ZINC000931481044 698580460 /nfs/dbraw/zinc/58/04/60/698580460.db2.gz BRIYECLPIZFKDC-UHFFFAOYSA-N 2 0 287.407 1.755 20 30 CDEDRP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCOCC1 ZINC000303888188 698765542 /nfs/dbraw/zinc/76/55/42/698765542.db2.gz OTBQWKZZRWVNFD-AWEZNQCLSA-N 2 0 282.432 1.288 20 30 CDEDRP C=C(Cl)CN1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033420345 698825996 /nfs/dbraw/zinc/82/59/96/698825996.db2.gz ODCNYRQNRJLMLL-JSGCOSHPSA-N 2 0 299.846 1.613 20 30 CDEDRP C#CC[NH+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001050544706 698851976 /nfs/dbraw/zinc/85/19/76/698851976.db2.gz UJQNSTAOXWKXMT-UHFFFAOYSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001014940099 698871774 /nfs/dbraw/zinc/87/17/74/698871774.db2.gz HZXZBWWWAXERNF-CYBMUJFWSA-N 2 0 282.347 1.390 20 30 CDEDRP C[C@@H](CNC(=[NH2+])NCC1CCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000104168012 698918867 /nfs/dbraw/zinc/91/88/67/698918867.db2.gz HFPCKEBIPVOMRW-STQMWFEESA-N 2 0 266.433 1.811 20 30 CDEDRP CCOC1CC(CCNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)C1 ZINC000190136747 699005358 /nfs/dbraw/zinc/00/53/58/699005358.db2.gz PLEXRFSVFGEVNK-SHARSMKWSA-N 2 0 296.459 1.580 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC000986956094 704808120 /nfs/dbraw/zinc/80/81/20/704808120.db2.gz JOXJYCBMPHDBTK-KBPBESRZSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001032446176 704827914 /nfs/dbraw/zinc/82/79/14/704827914.db2.gz XSFIPEWDGQAPKD-HRCADAONSA-N 2 0 291.439 1.578 20 30 CDEDRP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024447094 704834244 /nfs/dbraw/zinc/83/42/44/704834244.db2.gz QLSTUFYNOQRHAB-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000923298292 704868620 /nfs/dbraw/zinc/86/86/20/704868620.db2.gz ACNKWHBHUYBOJF-ZBFHGGJFSA-N 2 0 291.395 1.261 20 30 CDEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001045638551 705018939 /nfs/dbraw/zinc/01/89/39/705018939.db2.gz GTFQTJJLQZKIRW-CYBMUJFWSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001031806805 705024255 /nfs/dbraw/zinc/02/42/55/705024255.db2.gz POPWDAZIMRTYHW-MRXNPFEDSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001832875 705184695 /nfs/dbraw/zinc/18/46/95/705184695.db2.gz IODLVHVDDJIZKU-GOEBONIOSA-N 2 0 291.439 1.036 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033657303 705248093 /nfs/dbraw/zinc/24/80/93/705248093.db2.gz JKJHTYMRZXFQPY-HNNXBMFYSA-N 2 0 279.428 1.581 20 30 CDEDRP C=CC[C@H]1CC[C@@H]([NH2+]Cc2cn(C3C[NH2+]C3)nn2)C1 ZINC001574900136 1167642405 /nfs/dbraw/zinc/64/24/05/1167642405.db2.gz RPZABQOXQNDTKF-NWDGAFQWSA-N 2 0 261.373 1.257 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC000989828536 848157831 /nfs/dbraw/zinc/15/78/31/848157831.db2.gz FKQGKQHUVKWBKL-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000262021279 848218188 /nfs/dbraw/zinc/21/81/88/848218188.db2.gz XYJSODOXIXDSLE-QWHCGFSZSA-N 2 0 252.406 1.730 20 30 CDEDRP C[C@@H]1CCCN(C(=[NH2+])NCC[N@H+](C)C2CCCC2)C1 ZINC000304764131 848279658 /nfs/dbraw/zinc/27/96/58/848279658.db2.gz XQNQIKRKBBYGCJ-CYBMUJFWSA-N 2 0 266.433 1.907 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N(C)C[C@H]1CCOC1 ZINC000261610271 848279949 /nfs/dbraw/zinc/27/99/49/848279949.db2.gz FMIDVJTVKXBEMD-UONOGXRCSA-N 2 0 294.443 1.014 20 30 CDEDRP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001024802851 848280268 /nfs/dbraw/zinc/28/02/68/848280268.db2.gz BFGMEESHPJUHDU-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001798564 848351571 /nfs/dbraw/zinc/35/15/71/848351571.db2.gz SFLWFVBHYVGAIX-UHFFFAOYSA-N 2 0 291.439 1.180 20 30 CDEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCO[C@@H](C)C#N)[C@H](C)C1 ZINC000801943176 848367895 /nfs/dbraw/zinc/36/78/95/848367895.db2.gz MNWSLDXNQDHARJ-PMPSAXMXSA-N 2 0 297.443 1.642 20 30 CDEDRP Cc1cc(NC(=O)NCC#CC[NH+](C)C)cn2ccnc12 ZINC000931555727 848421168 /nfs/dbraw/zinc/42/11/68/848421168.db2.gz XNEFAJABNWOFQE-UHFFFAOYSA-N 2 0 285.351 1.329 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001835517 848442479 /nfs/dbraw/zinc/44/24/79/848442479.db2.gz WZSBTZOJRBNJMS-DZGCQCFKSA-N 2 0 279.428 1.198 20 30 CDEDRP C[NH+](C)[C@H]1CCCC(=NNCC[NH+]2CCCCC2)C1 ZINC000788425757 848453128 /nfs/dbraw/zinc/45/31/28/848453128.db2.gz JTQALYJLROCYAY-HNNXBMFYSA-N 2 0 266.433 1.922 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000989518980 848469933 /nfs/dbraw/zinc/46/99/33/848469933.db2.gz JKNZYCQKHRUUMJ-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033353693 848517519 /nfs/dbraw/zinc/51/75/19/848517519.db2.gz JILVKMVNIJXXKI-HZPDHXFCSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001018835254 848671613 /nfs/dbraw/zinc/67/16/13/848671613.db2.gz BOFJLPJGAUOMJH-KBPBESRZSA-N 2 0 299.846 1.802 20 30 CDEDRP CC#CCN1CC[C@H](N(C)C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001033192965 848682388 /nfs/dbraw/zinc/68/23/88/848682388.db2.gz ZTWUKBZIHPAQTE-AWEZNQCLSA-N 2 0 296.374 1.733 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033595629 848691890 /nfs/dbraw/zinc/69/18/90/848691890.db2.gz VUXAMIKTXSAZLD-AWEZNQCLSA-N 2 0 277.412 1.191 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001003229494 848778045 /nfs/dbraw/zinc/77/80/45/848778045.db2.gz HFGWUSSNUOZCIB-MRXNPFEDSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001026285317 848846465 /nfs/dbraw/zinc/84/64/65/848846465.db2.gz ZCEOPRUCIDDIFW-NUEKZKHPSA-N 2 0 291.439 1.483 20 30 CDEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041357959 848921710 /nfs/dbraw/zinc/92/17/10/848921710.db2.gz JPFKIAKCBONBME-NVXWUHKLSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC000989392862 848974374 /nfs/dbraw/zinc/97/43/74/848974374.db2.gz XRHTWBDRCPMMGU-ZFWWWQNUSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001000319737 849003504 /nfs/dbraw/zinc/00/35/04/849003504.db2.gz OZXZIIVVLITIMP-LLVKDONJSA-N 2 0 282.775 1.285 20 30 CDEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041644486 849128377 /nfs/dbraw/zinc/12/83/77/849128377.db2.gz DLNINEVTCCWTHT-WBVHZDCISA-N 2 0 293.455 1.683 20 30 CDEDRP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001000851065 849178222 /nfs/dbraw/zinc/17/82/22/849178222.db2.gz LHLQXWFAERXESZ-INIZCTEOSA-N 2 0 291.439 1.795 20 30 CDEDRP C#CC[NH2+][C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995918579 849195069 /nfs/dbraw/zinc/19/50/69/849195069.db2.gz WTDGNDIVMUSOCY-CABCVRRESA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034139902 849270276 /nfs/dbraw/zinc/27/02/76/849270276.db2.gz WMHQCCSZHWPTIA-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C#C[C@H](NCc1ncc(CN(C)C)s1)C(C)C ZINC000809685841 849275711 /nfs/dbraw/zinc/27/57/11/849275711.db2.gz UTEOCPQOQAXBLI-LBPRGKRZSA-N 2 0 251.399 1.952 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001003736984 849351838 /nfs/dbraw/zinc/35/18/38/849351838.db2.gz BUSIAHXBASAODN-MRXNPFEDSA-N 2 0 291.439 1.463 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001022534571 849393462 /nfs/dbraw/zinc/39/34/62/849393462.db2.gz WPPWHAMOJBNWRJ-BETUJISGSA-N 2 0 299.846 1.850 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2ccnc2C)[C@H](C)C1 ZINC001044863188 849482039 /nfs/dbraw/zinc/48/20/39/849482039.db2.gz FVAPYCYWOCYTKC-UKRRQHHQSA-N 2 0 290.411 1.737 20 30 CDEDRP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001023273367 849527837 /nfs/dbraw/zinc/52/78/37/849527837.db2.gz LQVLEAIKKKQTME-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CC[NH+](C)CCCNC(=O)N(CCC)[C@H]1CC[N@H+](C)C1 ZINC000827114873 849585099 /nfs/dbraw/zinc/58/50/99/849585099.db2.gz PWCABXLTXVWLIV-HNNXBMFYSA-N 2 0 294.443 1.067 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@@H]1C ZINC001054630560 849664433 /nfs/dbraw/zinc/66/44/33/849664433.db2.gz XSBOQJFAZLHBDZ-CMPLNLGQSA-N 2 0 296.802 1.531 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014485422 850063387 /nfs/dbraw/zinc/06/33/87/850063387.db2.gz WNGLKSIUAIBSKP-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP NC(=[NH2+])N=NC1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000834939264 850115732 /nfs/dbraw/zinc/11/57/32/850115732.db2.gz WSOKGVFGTQDKNV-DZGCQCFKSA-N 2 0 285.395 1.900 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046318326 850213979 /nfs/dbraw/zinc/21/39/79/850213979.db2.gz KLONBJGKLHLLME-DOTOQJQBSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001035724183 850218256 /nfs/dbraw/zinc/21/82/56/850218256.db2.gz UADWUEVWWZCMKL-UHFFFAOYSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccnc1 ZINC001039476943 850240562 /nfs/dbraw/zinc/24/05/62/850240562.db2.gz ZKQQKKNOGBOGHX-KGLIPLIRSA-N 2 0 274.368 1.134 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000996692420 850335078 /nfs/dbraw/zinc/33/50/78/850335078.db2.gz MYSPEZSAZZGUMS-HNNXBMFYSA-N 2 0 281.444 1.729 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001028580219 850449843 /nfs/dbraw/zinc/44/98/43/850449843.db2.gz SNQDWUVVHFBZFV-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCOC1CCC([N@H+](C)CCN2CC[NH+](C)CC2)CC1 ZINC001173326705 912423235 /nfs/dbraw/zinc/42/32/35/912423235.db2.gz NSCFKTOWKZUKNQ-UHFFFAOYSA-N 2 0 295.471 1.679 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC)[C@@H]2C)CC1 ZINC001089060135 912550616 /nfs/dbraw/zinc/55/06/16/912550616.db2.gz VEGGJFDGTWEVFL-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001089056438 912555395 /nfs/dbraw/zinc/55/53/95/912555395.db2.gz FGNGVQAXMMZXGT-PBHICJAKSA-N 2 0 299.418 1.574 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174649227 913292202 /nfs/dbraw/zinc/29/22/02/913292202.db2.gz BMSHLAWKNGEFNC-OAHLLOKOSA-N 2 0 293.455 1.759 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176024943 913903418 /nfs/dbraw/zinc/90/34/18/913903418.db2.gz VJZNEAVDBLYOIK-HNNXBMFYSA-N 2 0 281.444 1.616 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001167608271 897006652 /nfs/dbraw/zinc/00/66/52/897006652.db2.gz CTJWWXICISIPOF-OAHLLOKOSA-N 2 0 281.444 1.923 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106672450 914125068 /nfs/dbraw/zinc/12/50/68/914125068.db2.gz WOUUXKQXOFTEKJ-HUUCEWRRSA-N 2 0 295.471 1.834 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203351626 914170962 /nfs/dbraw/zinc/17/09/62/914170962.db2.gz YFBRNONUSIYTRC-CHWSQXEVSA-N 2 0 265.401 1.141 20 30 CDEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176565124 914178809 /nfs/dbraw/zinc/17/88/09/914178809.db2.gz SREIGGLPSFHEHD-GJZGRUSLSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CCC[N@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001481144661 898973008 /nfs/dbraw/zinc/97/30/08/898973008.db2.gz KRBMZMGKQGFFSX-HNNXBMFYSA-N 2 0 279.428 1.322 20 30 CDEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001112522809 899132468 /nfs/dbraw/zinc/13/24/68/899132468.db2.gz OSBALWUEGQJVMO-RDJZCZTQSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001268215439 901586906 /nfs/dbraw/zinc/58/69/06/901586906.db2.gz IUFQQTDHCNRVLG-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP N#Cc1cc(C#N)cc(NC(=[NH2+])NCCCC[NH3+])c1 ZINC001167881492 901635784 /nfs/dbraw/zinc/63/57/84/901635784.db2.gz HLWAQYMQTIURKC-UHFFFAOYSA-N 2 0 256.313 1.105 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088199806 906436797 /nfs/dbraw/zinc/43/67/97/906436797.db2.gz CXTFXXCCMIHXIW-PMPSAXMXSA-N 2 0 291.439 1.295 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001205415898 921238043 /nfs/dbraw/zinc/23/80/43/921238043.db2.gz PYKALJFNOIAQKK-OAHLLOKOSA-N 2 0 297.418 1.128 20 30 CDEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001203699802 921421318 /nfs/dbraw/zinc/42/13/18/921421318.db2.gz UBBPXLITNPKZJC-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001171586615 910817515 /nfs/dbraw/zinc/81/75/15/910817515.db2.gz QWXPBOBCWMEFEI-CQSZACIVSA-N 2 0 281.444 1.615 20 30 CDEDRP C[C@H](Cc1ccc(C#N)cc1)NC(=[NH2+])NCCCC[NH3+] ZINC001172295150 911593070 /nfs/dbraw/zinc/59/30/70/911593070.db2.gz PROLSPZSMTWEDJ-GFCCVEGCSA-N 2 0 273.384 1.342 20 30 CDEDRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172982442 912113234 /nfs/dbraw/zinc/11/32/34/912113234.db2.gz ZFLUWLNITQXJLA-UPJWGTAASA-N 2 0 296.415 1.462 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001189890457 921734636 /nfs/dbraw/zinc/73/46/36/921734636.db2.gz BWDOZIUUTDOTAP-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001106905575 915251362 /nfs/dbraw/zinc/25/13/62/915251362.db2.gz XAQYDTMBXRCUDT-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127639401 916462608 /nfs/dbraw/zinc/46/26/08/916462608.db2.gz ZWTZGEFNPZXCEG-HUUCEWRRSA-N 2 0 281.444 1.779 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001182693565 918075058 /nfs/dbraw/zinc/07/50/58/918075058.db2.gz WSYDAOISFCCKNT-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)n2ccnc2)C1 ZINC001185967842 919834560 /nfs/dbraw/zinc/83/45/60/919834560.db2.gz AZOLCWCCXNVHGH-ZIAGYGMSSA-N 2 0 276.384 1.601 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188106953 920838635 /nfs/dbraw/zinc/83/86/35/920838635.db2.gz DYOMVGVQFPCGAW-RRFJBIMHSA-N 2 0 297.418 1.385 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001128534128 921985791 /nfs/dbraw/zinc/98/57/91/921985791.db2.gz WFDYMFFRPDNASL-NSHDSACASA-N 2 0 279.787 1.125 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)c1sccc1C[NH+](C)C ZINC001128545128 922006637 /nfs/dbraw/zinc/00/66/37/922006637.db2.gz UROZSGPMZZCWIR-UHFFFAOYSA-N 2 0 279.409 1.152 20 30 CDEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001190493561 922046232 /nfs/dbraw/zinc/04/62/32/922046232.db2.gz ZUGDCJHRGPROKJ-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001190949410 922300141 /nfs/dbraw/zinc/30/01/41/922300141.db2.gz YZNVWURXWQTMIX-LSDHHAIUSA-N 2 0 279.428 1.580 20 30 CDEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190946680 922303461 /nfs/dbraw/zinc/30/34/61/922303461.db2.gz LVSNOCZDVUKOBR-CABCVRRESA-N 2 0 277.412 1.027 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001205561351 922543085 /nfs/dbraw/zinc/54/30/85/922543085.db2.gz HETFVCTUFBTFHK-UHFFFAOYSA-N 2 0 293.455 1.568 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111464211 936774023 /nfs/dbraw/zinc/77/40/23/936774023.db2.gz MKSRTZQULAXXBZ-KFWWJZLASA-N 2 0 277.412 1.071 20 30 CDEDRP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001191967072 922860085 /nfs/dbraw/zinc/86/00/85/922860085.db2.gz CYODBUMWTJHAGX-JYJNAYRXSA-N 2 0 291.439 1.273 20 30 CDEDRP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194283480 924160379 /nfs/dbraw/zinc/16/03/79/924160379.db2.gz CAOJYTKUYKINRA-CYBMUJFWSA-N 2 0 287.835 1.612 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080787645 924637991 /nfs/dbraw/zinc/63/79/91/924637991.db2.gz LWPYVVSUZNUHLX-HUUCEWRRSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152224627 924656282 /nfs/dbraw/zinc/65/62/82/924656282.db2.gz ZAILDZZBBFBLJK-HNNXBMFYSA-N 2 0 281.444 1.923 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100872934 936942256 /nfs/dbraw/zinc/94/22/56/936942256.db2.gz OPDIZJQZBNVGGC-FHERZECASA-N 2 0 293.455 1.779 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001100898681 936943858 /nfs/dbraw/zinc/94/38/58/936943858.db2.gz WKVJCWSXRCQONG-UHFFFAOYSA-N 2 0 279.428 1.226 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001082559534 924958241 /nfs/dbraw/zinc/95/82/41/924958241.db2.gz IJPFULYQKNXXJR-BPLDGKMQSA-N 2 0 279.428 1.339 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001082859770 925012138 /nfs/dbraw/zinc/01/21/38/925012138.db2.gz DUHPKIQWIKZIIW-KWCYVHTRSA-N 2 0 299.846 1.517 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001084406599 925252913 /nfs/dbraw/zinc/25/29/13/925252913.db2.gz UAFANYZNTCBQTR-RBSFLKMASA-N 2 0 277.412 1.045 20 30 CDEDRP C=C(C)CC[NH+]1CCCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001197914117 925267839 /nfs/dbraw/zinc/26/78/39/925267839.db2.gz LAWPWSFRDYYUHC-UHFFFAOYSA-N 2 0 281.444 1.829 20 30 CDEDRP C=CCCC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102601226 937067506 /nfs/dbraw/zinc/06/75/06/937067506.db2.gz RVWHRQXIKKXICF-HZPDHXFCSA-N 2 0 295.471 1.977 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001085782710 926390744 /nfs/dbraw/zinc/39/07/44/926390744.db2.gz BOMHLTCLESJLQT-HRCADAONSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085968791 926552188 /nfs/dbraw/zinc/55/21/88/926552188.db2.gz POEDHXOLHBDVMY-ZIAGYGMSSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001086365180 927037104 /nfs/dbraw/zinc/03/71/04/927037104.db2.gz HTRLLJNLIPMSHJ-FPCVCCKLSA-N 2 0 291.439 1.531 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001086382069 927053440 /nfs/dbraw/zinc/05/34/40/927053440.db2.gz RXUUHVODYMMSBQ-JYJNAYRXSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001103612610 937148734 /nfs/dbraw/zinc/14/87/34/937148734.db2.gz LULKFCRGFCPCQL-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC001252482293 928621363 /nfs/dbraw/zinc/62/13/63/928621363.db2.gz KKLDPCDFGHMNDQ-INIZCTEOSA-N 2 0 278.396 1.401 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC=C)C2)CC1 ZINC001086557798 929406384 /nfs/dbraw/zinc/40/63/84/929406384.db2.gz FOHFXGYZPBPPRF-KOMQPUFPSA-N 2 0 289.423 1.002 20 30 CDEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115292758 937344768 /nfs/dbraw/zinc/34/47/68/937344768.db2.gz USMPZCSBRAGBHX-QLPKVWCKSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C[C@@](C)(O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001252582910 929624824 /nfs/dbraw/zinc/62/48/24/929624824.db2.gz YXEBACPHNACXBB-OAHLLOKOSA-N 2 0 261.369 1.577 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608546 929814782 /nfs/dbraw/zinc/81/47/82/929814782.db2.gz WZMGKYJIBFSPMQ-STQMWFEESA-N 2 0 267.417 1.530 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135378234 930177346 /nfs/dbraw/zinc/17/73/46/930177346.db2.gz ISQDOHPWRIIALL-ZIAGYGMSSA-N 2 0 281.444 1.777 20 30 CDEDRP CC#CC[NH2+]C1(CNC(=O)C[NH+](CC)CC)CCCCC1 ZINC001115778842 937419381 /nfs/dbraw/zinc/41/93/81/937419381.db2.gz VKFXNABMPQVIEH-UHFFFAOYSA-N 2 0 293.455 1.760 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938880 930550993 /nfs/dbraw/zinc/55/09/93/930550993.db2.gz PXJSPFBGGLXZST-QWHCGFSZSA-N 2 0 299.846 1.708 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135961389 930578582 /nfs/dbraw/zinc/57/85/82/930578582.db2.gz POUJOMZPIBNOFX-UONOGXRCSA-N 2 0 267.417 1.224 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153451522 937446252 /nfs/dbraw/zinc/44/62/52/937446252.db2.gz FVWLDRCRCGNQIS-RBSFLKMASA-N 2 0 281.444 1.729 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246138081 931096256 /nfs/dbraw/zinc/09/62/56/931096256.db2.gz AJFVHPBOJCXUFI-KGLIPLIRSA-N 2 0 251.418 1.805 20 30 CDEDRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cncc(C#N)c1)CC2 ZINC001275029216 931636929 /nfs/dbraw/zinc/63/69/29/931636929.db2.gz WXPSSCQLYQFTRM-UHFFFAOYSA-N 2 0 270.380 1.871 20 30 CDEDRP C#Cc1ccc(C[NH+]2CCN(CC[NH+](C)C)CC2)cc1 ZINC001144567626 931906332 /nfs/dbraw/zinc/90/63/32/931906332.db2.gz VMGLISJUMATYDJ-UHFFFAOYSA-N 2 0 271.408 1.347 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001091360541 932115793 /nfs/dbraw/zinc/11/57/93/932115793.db2.gz HTCKUZIGPKEIRG-OTTFEQOBSA-N 2 0 285.819 1.175 20 30 CDEDRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001148638982 932769104 /nfs/dbraw/zinc/76/91/04/932769104.db2.gz WJSBCTMRIGROIQ-UHFFFAOYSA-N 2 0 287.407 1.086 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092012168 932910454 /nfs/dbraw/zinc/91/04/54/932910454.db2.gz RLOFEXHUOBAHKA-UXLLHSPISA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092272585 932931000 /nfs/dbraw/zinc/93/10/00/932931000.db2.gz GNJHEKKILJESEN-INMHGKMJSA-N 2 0 291.439 1.295 20 30 CDEDRP C[NH+]1CCC(C)(C[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC001120495396 937803664 /nfs/dbraw/zinc/80/36/64/937803664.db2.gz MVBUWIPOYDKHJK-ZDUSSCGKSA-N 2 0 267.417 1.609 20 30 CDEDRP C#CC[NH2+]CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001121910278 937889204 /nfs/dbraw/zinc/88/92/04/937889204.db2.gz IIZIVQNQHBEYGQ-UHFFFAOYSA-N 2 0 291.439 1.324 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC001121922421 937890859 /nfs/dbraw/zinc/89/08/59/937890859.db2.gz IZQFYQJRRSQNMN-CHWSQXEVSA-N 2 0 269.433 1.763 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC001121931564 937891875 /nfs/dbraw/zinc/89/18/75/937891875.db2.gz CCIRGRYTXZEVBT-QWHCGFSZSA-N 2 0 253.390 1.126 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC001122055748 937902511 /nfs/dbraw/zinc/90/25/11/937902511.db2.gz NCMDJXQNHGEHRC-HOTGVXAUSA-N 2 0 293.455 1.908 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158750525 938659785 /nfs/dbraw/zinc/65/97/85/938659785.db2.gz LEQZCNFPHVTYGA-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160834644 938831215 /nfs/dbraw/zinc/83/12/15/938831215.db2.gz NRVRDUFAMFSBPV-UHFFFAOYSA-N 2 0 293.455 1.925 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001160951031 938848571 /nfs/dbraw/zinc/84/85/71/938848571.db2.gz BKDSDQWIRVHTJI-UHFFFAOYSA-N 2 0 297.443 1.017 20 30 CDEDRP CN(C)/C=[NH+]/c1ccc(-n2cnc(C[NH3+])c2)cc1C#N ZINC001162303940 938975820 /nfs/dbraw/zinc/97/58/20/938975820.db2.gz AXOFOQXBBUVZPF-GIJQJNRQSA-N 2 0 268.324 1.424 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163833137 939339296 /nfs/dbraw/zinc/33/92/96/939339296.db2.gz JWOIUICMDSWKJB-UHFFFAOYSA-N 2 0 287.835 1.709 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001165464362 939566675 /nfs/dbraw/zinc/56/66/75/939566675.db2.gz CAWJSMDSWAXAJF-UHFFFAOYSA-N 2 0 279.428 1.533 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001165717988 939575831 /nfs/dbraw/zinc/57/58/31/939575831.db2.gz CHEXQYFZMPQCJJ-CQSZACIVSA-N 2 0 279.428 1.226 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001166432836 939608816 /nfs/dbraw/zinc/60/88/16/939608816.db2.gz PGANXDUPFPZGTI-AWEZNQCLSA-N 2 0 269.433 1.779 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001203407102 939684887 /nfs/dbraw/zinc/68/48/87/939684887.db2.gz DWFOVIISAJZCLD-UHFFFAOYSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203728648 939702110 /nfs/dbraw/zinc/70/21/10/939702110.db2.gz AJPVAJOWXQYSAU-CABCVRRESA-N 2 0 291.439 1.675 20 30 CDEDRP N#Cc1cccc(CN2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205763471 939933521 /nfs/dbraw/zinc/93/35/21/939933521.db2.gz QCXKOTWZGFGZDT-CYBMUJFWSA-N 2 0 265.307 1.974 20 30 CDEDRP C[C@H]1C[N@H+](Cc2ccc(C#N)nc2)CCC[C@H]1C[NH3+] ZINC001206003503 939966383 /nfs/dbraw/zinc/96/63/83/939966383.db2.gz ITELOXAVFQBUEF-JSGCOSHPSA-N 2 0 258.369 1.760 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001206275414 940009995 /nfs/dbraw/zinc/00/99/95/940009995.db2.gz QZUGCFQDQGMNCY-OAHLLOKOSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001206281248 940011146 /nfs/dbraw/zinc/01/11/46/940011146.db2.gz GBONYOZNDJQOAB-DZGCQCFKSA-N 2 0 279.428 1.198 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001206954354 940117433 /nfs/dbraw/zinc/11/74/33/940117433.db2.gz FKWUYSRQLSLRBC-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCOC(=O)N1CC[NH+](CC2CC[NH+](CC)CC2)CC1 ZINC001208602825 940347670 /nfs/dbraw/zinc/34/76/70/940347670.db2.gz OJWFEMULIHUAHT-UHFFFAOYSA-N 2 0 295.427 1.659 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001209585287 940612599 /nfs/dbraw/zinc/61/25/99/940612599.db2.gz JNOGUXYNMJBBOK-OAGGEKHMSA-N 2 0 295.471 1.975 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001209953068 940653452 /nfs/dbraw/zinc/65/34/52/940653452.db2.gz SHVALRQREXSHAU-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001210175283 940669345 /nfs/dbraw/zinc/66/93/45/940669345.db2.gz MIAMAIQFSUKNBC-INIZCTEOSA-N 2 0 293.455 1.712 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211073110 940728540 /nfs/dbraw/zinc/72/85/40/940728540.db2.gz ZPAGUFNQHHTDER-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000402356185 940894949 /nfs/dbraw/zinc/89/49/49/940894949.db2.gz UFEQHDBVYHBPFR-CVEARBPZSA-N 2 0 273.380 1.795 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001216511613 940943267 /nfs/dbraw/zinc/94/32/67/940943267.db2.gz XBYVDUMMCIMNQQ-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP N#Cc1ccccc1C[N@H+]1CC[C@H](OCCC[NH3+])C1 ZINC001217884172 941026303 /nfs/dbraw/zinc/02/63/03/941026303.db2.gz MKXUNJMUGMBXJH-HNNXBMFYSA-N 2 0 259.353 1.498 20 30 CDEDRP C=C1CC[NH2+]C[C@@H]1Oc1cccc(CN2CC[NH2+]CC2)c1 ZINC001218205071 941044062 /nfs/dbraw/zinc/04/40/62/941044062.db2.gz VISLGVKZHHHIQN-KRWDZBQOSA-N 2 0 287.407 1.389 20 30 CDEDRP COc1ccc(C#N)cc1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001218979634 941296579 /nfs/dbraw/zinc/29/65/79/941296579.db2.gz RWSFTLPQOFUCIY-LBPRGKRZSA-N 2 0 290.367 1.352 20 30 CDEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccc(C#N)cc1C#N ZINC001219393619 941339328 /nfs/dbraw/zinc/33/93/28/941339328.db2.gz PBDUUZVBUYNRTO-AWEZNQCLSA-N 2 0 285.351 1.085 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1ccsc1 ZINC001220868295 941479099 /nfs/dbraw/zinc/47/90/99/941479099.db2.gz GAVIFKNJRDIBEI-KBPBESRZSA-N 2 0 293.436 1.385 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001223655388 941690546 /nfs/dbraw/zinc/69/05/46/941690546.db2.gz WZFDBUVWJZVTRT-UHFFFAOYSA-N 2 0 293.455 1.568 20 30 CDEDRP CCCC[NH+]1CCC(NC(=O)NCC#CC[NH+](C)C)CC1 ZINC001226012220 941940979 /nfs/dbraw/zinc/94/09/79/941940979.db2.gz BAQISLAQTQEVOU-UHFFFAOYSA-N 2 0 294.443 1.115 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001226792446 942072138 /nfs/dbraw/zinc/07/21/38/942072138.db2.gz QXSRSYGWXAVHNZ-HUUCEWRRSA-N 2 0 291.439 1.511 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001227807597 942229832 /nfs/dbraw/zinc/22/98/32/942229832.db2.gz USIRTFZTNCEXDT-UHFFFAOYSA-N 2 0 277.412 1.075 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001229692946 942513940 /nfs/dbraw/zinc/51/39/40/942513940.db2.gz MZIQYZUMOVIVEU-BZUAXINKSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001230115179 942586179 /nfs/dbraw/zinc/58/61/79/942586179.db2.gz BXSXTRPHTZBXPW-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CCN1CC[C@@H]1CN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001234642844 943924109 /nfs/dbraw/zinc/92/41/09/943924109.db2.gz LIMFQWJXHCHGIC-KGLIPLIRSA-N 2 0 285.407 1.385 20 30 CDEDRP C[NH+](C)CCN1CCO[C@]2(CCC[N@H+](CCCC#N)C2)C1 ZINC001277944922 944153836 /nfs/dbraw/zinc/15/38/36/944153836.db2.gz GGPZURPZBPKIHQ-INIZCTEOSA-N 2 0 294.443 1.019 20 30 CDEDRP N#CCCC[NH+]1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001277945358 944156428 /nfs/dbraw/zinc/15/64/28/944156428.db2.gz XVTLYPBAICJXSH-UHFFFAOYSA-N 2 0 287.411 1.585 20 30 CDEDRP CN(C)C1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC[NH+](C)CC1 ZINC001254638436 947565675 /nfs/dbraw/zinc/56/56/75/947565675.db2.gz YHLJEZBXZFPDFI-ZIAGYGMSSA-N 2 0 264.417 1.294 20 30 CDEDRP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001246150531 947992223 /nfs/dbraw/zinc/99/22/23/947992223.db2.gz WGFQSYSOEYGQHD-HZSPNIEDSA-N 2 0 262.401 1.142 20 30 CDEDRP C[NH+]1CCC(NC(=[NH2+])c2ccc(Cl)cn2)CC1 ZINC001256195298 948223671 /nfs/dbraw/zinc/22/36/71/948223671.db2.gz JTSRTCMIFQHFAN-UHFFFAOYSA-N 2 0 252.749 1.535 20 30 CDEDRP N#CCC[N@H+](Cc1ccccc1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246529361 948232457 /nfs/dbraw/zinc/23/24/57/948232457.db2.gz GXUYCBJFDMCEEJ-INIZCTEOSA-N 2 0 284.407 1.496 20 30 CDEDRP N#C[C@@H]1C[C@H]([NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)CCN1 ZINC001246666626 948396381 /nfs/dbraw/zinc/39/63/81/948396381.db2.gz ROEHJXDFPWDOMH-ARFHVFGLSA-N 2 0 276.428 1.485 20 30 CDEDRP C[C@@H]1C[C@H](N2CC[C@@H]3SC(=O)C=C3C2)CC[NH2+]1 ZINC001246692933 948406344 /nfs/dbraw/zinc/40/63/44/948406344.db2.gz ITLPZYVDPURDGA-JLLWLGSASA-N 2 0 252.383 1.401 20 30 CDEDRP C[NH+](C)CCN1CC[NH+](C2CCC(C#N)CC2)CC1 ZINC001256965088 948465321 /nfs/dbraw/zinc/46/53/21/948465321.db2.gz JYTNZHZOEIIPAR-UHFFFAOYSA-N 2 0 264.417 1.248 20 30 CDEDRP CC(C)[NH+]1CCC(NC2(C#N)CC[NH+](C)CC2)CC1 ZINC001257212913 948548206 /nfs/dbraw/zinc/54/82/06/948548206.db2.gz GDPCBBWYELVTKZ-UHFFFAOYSA-N 2 0 264.417 1.437 20 30 CDEDRP C[NH+](C)CC1CC[NH+](Cc2cnn3ccc(C#N)cc23)CC1 ZINC001249107095 949388340 /nfs/dbraw/zinc/38/83/40/949388340.db2.gz RLJZTZWTIGDMFJ-UHFFFAOYSA-N 2 0 297.406 1.980 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]CCc1ccc(C[NH+](C)C)cc1 ZINC001252489166 951357133 /nfs/dbraw/zinc/35/71/33/951357133.db2.gz XNQUGZKVACSMNZ-KRWDZBQOSA-N 2 0 292.423 1.444 20 30 CDEDRP C=CCCCCCC[C@@H](O)C[NH2+]CCC[N@H+](C)CCO ZINC001253256882 951827657 /nfs/dbraw/zinc/82/76/57/951827657.db2.gz HBJZBDLFHVLZFP-MRXNPFEDSA-N 2 0 286.460 1.778 20 30 CDEDRP C=C[C@@H](O)C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001253580780 951971673 /nfs/dbraw/zinc/97/16/73/951971673.db2.gz ZLVUUWXMVXFRBY-OAHLLOKOSA-N 2 0 252.402 1.587 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001328203913 955225245 /nfs/dbraw/zinc/22/52/45/955225245.db2.gz KYZZTXBMBHGTRV-HUUCEWRRSA-N 2 0 294.443 1.114 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001317796736 957670150 /nfs/dbraw/zinc/67/01/50/957670150.db2.gz DZEMXOSMBZOYTK-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001318475208 958127455 /nfs/dbraw/zinc/12/74/55/958127455.db2.gz YZDCNSOAQQWRSQ-LSDHHAIUSA-N 2 0 281.444 1.826 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001340864736 963162066 /nfs/dbraw/zinc/16/20/66/963162066.db2.gz JIDQPWXSWUPRSN-AVGNSLFASA-N 2 0 253.390 1.269 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC001341673104 963506679 /nfs/dbraw/zinc/50/66/79/963506679.db2.gz WPKTUAJZLPDSMD-UONOGXRCSA-N 2 0 267.417 1.518 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001100420695 968293719 /nfs/dbraw/zinc/29/37/19/968293719.db2.gz RTKKTEIJZCUIIK-GPANFISMSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001357363080 969575028 /nfs/dbraw/zinc/57/50/28/969575028.db2.gz VWOVGOGJTFSGCH-JSGCOSHPSA-N 2 0 265.401 1.271 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001357474367 969602552 /nfs/dbraw/zinc/60/25/52/969602552.db2.gz MIGZSPSWEZOEIN-RQJABVFESA-N 2 0 267.417 1.398 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001401969018 976050201 /nfs/dbraw/zinc/05/02/01/976050201.db2.gz KNJGTCYWYRRIQI-UHFFFAOYSA-N 2 0 299.846 1.709 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@@H+](C)CCC)CCC1 ZINC001407832683 976786388 /nfs/dbraw/zinc/78/63/88/976786388.db2.gz ZWWLIDDQFRDNKL-UHFFFAOYSA-N 2 0 287.835 1.709 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132433999 1163289134 /nfs/dbraw/zinc/28/91/34/1163289134.db2.gz SJWRSDJXGWZFKB-CVEARBPZSA-N 2 0 293.455 1.711 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC001578413273 1171902229 /nfs/dbraw/zinc/90/22/29/1171902229.db2.gz JDCAONRPCBRPAK-INIZCTEOSA-N 2 0 293.455 1.746 20 30 CDEDRP C[NH+](C)CC1(CNC(=O)[C@@H]([NH3+])CCCCC#N)CCCC1 ZINC001578412680 1171902437 /nfs/dbraw/zinc/90/24/37/1171902437.db2.gz SHINWBOGELVTBW-AWEZNQCLSA-N 2 0 294.443 1.636 20 30 CDEDRP C[NH+](C)Cc1ccnc(NC(=O)[C@@H]([NH3+])CCCCC#N)c1 ZINC000594439380 342906622 /nfs/dbraw/zinc/90/66/22/342906622.db2.gz QEHVKEKPALMNCM-ZDUSSCGKSA-N 2 0 289.383 1.493 20 30 CDEDRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598595499 343840016 /nfs/dbraw/zinc/84/00/16/343840016.db2.gz ONPDVFPVDMJSBX-CVEARBPZSA-N 2 0 293.455 1.951 20 30 CDEDRP CC(C)(C#N)C[C@H](O)C[NH2+]CCC[NH+]1CCCCC1 ZINC000598705032 343877183 /nfs/dbraw/zinc/87/71/83/343877183.db2.gz XGIULRYNVVYYPF-AWEZNQCLSA-N 2 0 267.417 1.753 20 30 CDEDRP CO[C@@H]1CN(Cc2ccc(C#N)cc2)[C@](C)(C[NH3+])C1 ZINC000600888098 349888652 /nfs/dbraw/zinc/88/86/52/349888652.db2.gz YEAVZNLGHDCCCV-GJZGRUSLSA-N 2 0 259.353 1.496 20 30 CDEDRP C[C@H](CCC#N)C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000602542469 344459968 /nfs/dbraw/zinc/45/99/68/344459968.db2.gz YHHIBOTVLWAHET-CABCVRRESA-N 2 0 266.433 1.399 20 30 CDEDRP C[C@H](CCC#N)C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000602618039 344498280 /nfs/dbraw/zinc/49/82/80/344498280.db2.gz DXBGFSTVUNEQIR-CABCVRRESA-N 2 0 266.433 1.542 20 30 CDEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531206 362401376 /nfs/dbraw/zinc/40/13/76/362401376.db2.gz LPBSCKPXFORALG-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000404098768 530050757 /nfs/dbraw/zinc/05/07/57/530050757.db2.gz YQQSDELOOCKONG-UHFFFAOYSA-N 2 0 277.343 1.244 20 30 CDEDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000618562111 344998031 /nfs/dbraw/zinc/99/80/31/344998031.db2.gz ZDLHFHMGJCGETK-LSDHHAIUSA-N 2 0 278.444 1.684 20 30 CDEDRP CNC(=[NH2+])NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000264059973 362953822 /nfs/dbraw/zinc/95/38/22/362953822.db2.gz CNNRLZXTGPOIEE-UHFFFAOYSA-N 2 0 274.412 1.953 20 30 CDEDRP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000264086372 362963233 /nfs/dbraw/zinc/96/32/33/362963233.db2.gz JNYXWUDGHYSDBU-GFCCVEGCSA-N 2 0 262.357 1.516 20 30 CDEDRP C#CCOc1ccc(CNC[C@](C)(O)C[NH+](C)C)cc1 ZINC000269766313 359374311 /nfs/dbraw/zinc/37/43/11/359374311.db2.gz FQRUPMMJLZBUGJ-INIZCTEOSA-N 2 0 276.380 1.101 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)/C=C/C[NH+](C)C)C(C)C ZINC000265602901 359331831 /nfs/dbraw/zinc/33/18/31/359331831.db2.gz AHJNRTNUSCDEAC-ZNFPLGDCSA-N 2 0 293.455 1.919 20 30 CDEDRP C#CCOc1ccccc1CNC[C@](C)(O)C[NH+](C)C ZINC000228724123 367450510 /nfs/dbraw/zinc/45/05/10/367450510.db2.gz GAKOTHQCHOHYCH-INIZCTEOSA-N 2 0 276.380 1.101 20 30 CDEDRP [NH2+]=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)NC1CC1 ZINC000267420251 370935006 /nfs/dbraw/zinc/93/50/06/370935006.db2.gz KKZCHWRBWMTWPG-OAHLLOKOSA-N 2 0 272.396 1.718 20 30 CDEDRP CN1CC[NH+]=C1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000262665902 370446076 /nfs/dbraw/zinc/44/60/76/370446076.db2.gz OSKMSDRWIJEGGO-MRXNPFEDSA-N 2 0 286.423 1.932 20 30 CDEDRP CN(C(=[NH2+])NCC1(N2CCOCC2)CCCCC1)C1CC1 ZINC000305809104 374442153 /nfs/dbraw/zinc/44/21/53/374442153.db2.gz IAVWHJXUYYJSBU-UHFFFAOYSA-N 2 0 294.443 1.430 20 30 CDEDRP CN(Cc1ccc(C#N)s1)C1CC[NH+](CCO)CC1 ZINC000353349413 375261454 /nfs/dbraw/zinc/26/14/54/375261454.db2.gz GIRWNRFRBDJVNK-UHFFFAOYSA-N 2 0 279.409 1.508 20 30 CDEDRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000353530911 375591742 /nfs/dbraw/zinc/59/17/42/375591742.db2.gz NIMAARQGJXRURD-UHFFFAOYSA-N 2 0 277.368 1.694 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]([NH2+]C)C2)CC1 ZINC000417518355 377795436 /nfs/dbraw/zinc/79/54/36/377795436.db2.gz BKVARLFQEJJWIQ-HNNXBMFYSA-N 2 0 294.443 1.420 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000417543967 377930755 /nfs/dbraw/zinc/93/07/55/377930755.db2.gz VLYDEGHDYISJSP-UKRRQHHQSA-N 2 0 294.443 1.454 20 30 CDEDRP N#Cc1cccc(C[NH2+]CC2CC[NH+](CCO)CC2)c1 ZINC000069415317 378079407 /nfs/dbraw/zinc/07/94/07/378079407.db2.gz VGVLDUFNYHUELW-UHFFFAOYSA-N 2 0 273.380 1.352 20 30 CDEDRP C=C[C@H](CO)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000289607530 378328333 /nfs/dbraw/zinc/32/83/33/378328333.db2.gz CXHMIBIFBWYUOU-FVQBIDKESA-N 2 0 260.381 1.643 20 30 CDEDRP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001662844568 1172602774 /nfs/dbraw/zinc/60/27/74/1172602774.db2.gz HVMIZMDLSIRAOM-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP C[N@H+](CCCN1CC[NH+](C)CC1)CCCC(C)(C)C#N ZINC000119678719 390563411 /nfs/dbraw/zinc/56/34/11/390563411.db2.gz WLOZNJGGJTYUTA-UHFFFAOYSA-N 2 0 280.460 1.886 20 30 CDEDRP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125334342 391254009 /nfs/dbraw/zinc/25/40/09/391254009.db2.gz NJCMYOFZTQTKAG-ZNMIVQPWSA-N 2 0 277.412 1.246 20 30 CDEDRP COc1cc(CNCCC[NH2+]C2CC2)ccc1C#N ZINC000415064479 392848998 /nfs/dbraw/zinc/84/89/98/392848998.db2.gz CQDCWPUTLSSBHD-UHFFFAOYSA-N 2 0 259.353 1.799 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC000490877064 261234659 /nfs/dbraw/zinc/23/46/59/261234659.db2.gz WDTLJBDWYSTFDS-CABCVRRESA-N 2 0 291.439 1.273 20 30 CDEDRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])NC2CC2)c1 ZINC000195523089 262252277 /nfs/dbraw/zinc/25/22/77/262252277.db2.gz PFICCZOBSJIUNI-UHFFFAOYSA-N 2 0 260.385 1.705 20 30 CDEDRP C[C@H]1C[NH+]=C(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)N1 ZINC000262687712 262783838 /nfs/dbraw/zinc/78/38/38/262783838.db2.gz YZGHDAPZSFCULE-HOCLYGCPSA-N 2 0 286.423 1.488 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000414995014 263191042 /nfs/dbraw/zinc/19/10/42/263191042.db2.gz VNTOKMCEVULBIV-XPKDYRNWSA-N 2 0 279.428 1.578 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362801000 267047321 /nfs/dbraw/zinc/04/73/21/267047321.db2.gz JYLSNCKOPSOHAP-HIFRSBDPSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001671753955 1173709479 /nfs/dbraw/zinc/70/94/79/1173709479.db2.gz VPKSFCUMRNAYPY-GDBMZVCRSA-N 2 0 281.444 1.731 20 30 CDEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N(C)CCc1cccs1 ZINC000261850426 328142674 /nfs/dbraw/zinc/14/26/74/328142674.db2.gz XXLQECWUDYPFEX-CYBMUJFWSA-N 2 0 294.468 1.750 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C2([NH3+])CCCC2)CC1 ZINC000178768993 329200156 /nfs/dbraw/zinc/20/01/56/329200156.db2.gz WGRRLGRYZWDPSB-UHFFFAOYSA-N 2 0 251.374 1.025 20 30 CDEDRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185777074 329331569 /nfs/dbraw/zinc/33/15/69/329331569.db2.gz CIPXSMPHUKSIDQ-UONOGXRCSA-N 2 0 253.390 1.627 20 30 CDEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000262385702 330011942 /nfs/dbraw/zinc/01/19/42/330011942.db2.gz YIRLQHJREMQMLI-GFCCVEGCSA-N 2 0 270.421 1.046 20 30 CDEDRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000262453901 330014228 /nfs/dbraw/zinc/01/42/28/330014228.db2.gz WKPTUNPOVIXADO-ZDUSSCGKSA-N 2 0 266.433 1.811 20 30 CDEDRP CN(C)C(=[NH+]C[C@@H]1CCCC[N@@H+]1C1CC1)N(C)C ZINC000262741699 330029028 /nfs/dbraw/zinc/02/90/28/330029028.db2.gz JCMYISUPNDARQW-ZDUSSCGKSA-N 2 0 252.406 1.483 20 30 CDEDRP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424131694 330264070 /nfs/dbraw/zinc/26/40/70/330264070.db2.gz JPXLNDJCAFFKCO-GJZGRUSLSA-N 2 0 294.443 1.636 20 30 CDEDRP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424136379 330272332 /nfs/dbraw/zinc/27/23/32/330272332.db2.gz AMOYCFVMMIHODP-RDBSUJKOSA-N 2 0 278.400 1.093 20 30 CDEDRP C[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)CN1CC[NH+](C)CC1 ZINC000442800202 330784621 /nfs/dbraw/zinc/78/46/21/330784621.db2.gz ZARVVKJYDGMAFG-KFWWJZLASA-N 2 0 264.417 1.152 20 30 CDEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123460000 333533790 /nfs/dbraw/zinc/53/37/90/333533790.db2.gz PEYKXZPDJBOTGQ-AWEZNQCLSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001752157796 1159456928 /nfs/dbraw/zinc/45/69/28/1159456928.db2.gz LFFPFVUBCFMIHZ-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417545883 482595163 /nfs/dbraw/zinc/59/51/63/482595163.db2.gz YLJQVIGDXYYNME-ZFWWWQNUSA-N 2 0 294.443 1.596 20 30 CDEDRP C[NH+](C)C1CCC([NH2+]Cc2ccc(C#N)nc2)CC1 ZINC001168304926 1160703744 /nfs/dbraw/zinc/70/37/44/1160703744.db2.gz BFYIJEGXMHGGQD-UHFFFAOYSA-N 2 0 258.369 1.916 20 30 CDEDRP CC#CC[NH2+]C1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001713290934 1178469274 /nfs/dbraw/zinc/46/92/74/1178469274.db2.gz QJSGRUXDJTYEDD-NRXISQOPSA-N 2 0 279.428 1.367 20 30 CDEDRP C#CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)C1 ZINC001755416198 1185946313 /nfs/dbraw/zinc/94/63/13/1185946313.db2.gz PKBNVUSNKQJVET-AWEZNQCLSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000728605354 574638850 /nfs/dbraw/zinc/63/88/50/574638850.db2.gz ZFXMWXYKEZJKCM-MRXNPFEDSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC000763053670 575023862 /nfs/dbraw/zinc/02/38/62/575023862.db2.gz MITYADZNLYDPEZ-UHFFFAOYSA-N 2 0 277.412 1.075 20 30 CDEDRP CC(C)[N@H+]1CC(=NNCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000754258203 576888212 /nfs/dbraw/zinc/88/82/12/576888212.db2.gz IZFMQBSMQKIQRG-AWEZNQCLSA-N 2 0 266.433 1.778 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000968672987 612959948 /nfs/dbraw/zinc/95/99/48/612959948.db2.gz ONUNOCFGJNIDGA-CQSZACIVSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000972647556 613080220 /nfs/dbraw/zinc/08/02/20/613080220.db2.gz AMJAJUDDLRVTNR-MRXNPFEDSA-N 2 0 291.439 1.273 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000943756064 613225518 /nfs/dbraw/zinc/22/55/18/613225518.db2.gz KMROHWYUCIXGQQ-JKSUJKDBSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942517982 613236354 /nfs/dbraw/zinc/23/63/54/613236354.db2.gz KBAIEOHIGFGANA-CZUORRHYSA-N 2 0 296.374 1.408 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971801016 613284625 /nfs/dbraw/zinc/28/46/25/613284625.db2.gz NOAWCWGVPITJLB-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000981825303 613310878 /nfs/dbraw/zinc/31/08/78/613310878.db2.gz PDKDTXPYYMMMNL-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000968912954 613348805 /nfs/dbraw/zinc/34/88/05/613348805.db2.gz YBOJOJMHKHMPNX-KGLIPLIRSA-N 2 0 265.401 1.093 20 30 CDEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000890896325 617346397 /nfs/dbraw/zinc/34/63/97/617346397.db2.gz ADRZLCHHLVJSAQ-AWEZNQCLSA-N 2 0 269.433 1.587 20 30 CDEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000969706719 613483043 /nfs/dbraw/zinc/48/30/43/613483043.db2.gz OMRBIYWJMOCNIX-VNQPRFMTSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CC[N@@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000981622156 613697561 /nfs/dbraw/zinc/69/75/61/613697561.db2.gz POXZSPBKIWAYFO-UHFFFAOYSA-N 2 0 284.363 1.668 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000943755334 613742890 /nfs/dbraw/zinc/74/28/90/613742890.db2.gz CCEKPBOPDDWBAO-HZPDHXFCSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942721037 613781695 /nfs/dbraw/zinc/78/16/95/613781695.db2.gz KRKOUDPURMHJHO-CABCVRRESA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942517722 613791214 /nfs/dbraw/zinc/79/12/14/613791214.db2.gz FEHQPEAVHSANQV-BBRMVZONSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000960330579 613870863 /nfs/dbraw/zinc/87/08/63/613870863.db2.gz UVQOZIAOFBVMQR-USXIJHARSA-N 2 0 299.418 1.496 20 30 CDEDRP CCNC(NCC(C)(C)C[NH+]1CCCC1)=[NH+]CC ZINC000849022037 617706026 /nfs/dbraw/zinc/70/60/26/617706026.db2.gz USYSHYIBGFKQPN-UHFFFAOYSA-N 2 0 254.422 1.683 20 30 CDEDRP N#Cc1ccc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000925714130 617822982 /nfs/dbraw/zinc/82/29/82/617822982.db2.gz OKGHZHFRANWGDI-SMLCLMEVSA-N 2 0 267.376 1.687 20 30 CDEDRP N#Cc1ccc(NCC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])nc1 ZINC000925893016 617987275 /nfs/dbraw/zinc/98/72/75/617987275.db2.gz JQRPWWCXFYGIIH-ZIAGYGMSSA-N 2 0 273.384 1.615 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900597814 623275778 /nfs/dbraw/zinc/27/57/78/623275778.db2.gz AEARQTCZVTWJQP-HZPDHXFCSA-N 2 0 291.439 1.770 20 30 CDEDRP C[N@H+](CCCCC1(C#N)CCC1)CCOCC[NH3+] ZINC000903769839 626086316 /nfs/dbraw/zinc/08/63/16/626086316.db2.gz PJUAKXQKDABTDG-UHFFFAOYSA-N 2 0 253.390 1.758 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911750580 629468670 /nfs/dbraw/zinc/46/86/70/629468670.db2.gz DRSLNKHNWHHMOH-KBPBESRZSA-N 2 0 269.433 1.933 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000911819296 629547030 /nfs/dbraw/zinc/54/70/30/629547030.db2.gz PHNMFWAQWXKLIE-ZIAGYGMSSA-N 2 0 267.417 1.694 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266859054 1158913158 /nfs/dbraw/zinc/91/31/58/1158913158.db2.gz WRFPEFORTGFGPL-HZPDHXFCSA-N 2 0 293.455 1.567 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129421767 1162472334 /nfs/dbraw/zinc/47/23/34/1162472334.db2.gz BRTDFJWAMAULRZ-OAHLLOKOSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C(C)(C)n1cnc(C)c1 ZINC001130165196 1162561337 /nfs/dbraw/zinc/56/13/37/1162561337.db2.gz RQZCFZWNFIGWPW-CYBMUJFWSA-N 2 0 292.427 1.987 20 30 CDEDRP C#CC[NH2+]CC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381766101 1160000838 /nfs/dbraw/zinc/00/08/38/1160000838.db2.gz NSJGHHHXPGWNPP-NVXWUHKLSA-N 2 0 299.418 1.236 20 30 CDEDRP C#CC[NH2+]CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398078670 1160093333 /nfs/dbraw/zinc/09/33/33/1160093333.db2.gz RENFTILJVFPKEJ-RDJZCZTQSA-N 2 0 299.418 1.236 20 30 CDEDRP CC#CC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132266739 1163220623 /nfs/dbraw/zinc/22/06/23/1163220623.db2.gz ZIPVEEIAGGTQKP-LSDHHAIUSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133962367 1163984530 /nfs/dbraw/zinc/98/45/30/1163984530.db2.gz GMKOCKAHKTUTQM-OLZOCXBDSA-N 2 0 255.406 1.387 20 30 CDEDRP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001569683985 1169965180 /nfs/dbraw/zinc/96/51/80/1169965180.db2.gz VPKSFCUMRNAYPY-GOEBONIOSA-N 2 0 281.444 1.731 20 30 CDEDRP CC#CC[C@@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001574972228 1171071343 /nfs/dbraw/zinc/07/13/43/1171071343.db2.gz KYXCDXZUIQRHIJ-QLFBSQMISA-N 2 0 293.455 1.600 20 30 CDEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001724184793 1181649746 /nfs/dbraw/zinc/64/97/46/1181649746.db2.gz VEYDEEYVNXILKE-OCCSQVGLSA-N 2 0 253.390 1.093 20 30 CDEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001725629201 1182077491 /nfs/dbraw/zinc/07/74/91/1182077491.db2.gz MDDGZJNBYDTOCX-HLLBOEOZSA-N 2 0 291.439 1.463 20 30 CDEDRP C=C(C)C[N@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001752170517 1184830385 /nfs/dbraw/zinc/83/03/85/1184830385.db2.gz INXILDMFBHSQPY-AWEZNQCLSA-N 2 0 267.417 1.485 20 30 CDEDRP C=C(C)C[N@H+](C)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001753054180 1185025258 /nfs/dbraw/zinc/02/52/58/1185025258.db2.gz DQBOWLBKGUOJFE-UHFFFAOYSA-N 2 0 299.378 1.505 20 30 CDEDRP C=CCCC[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001753197408 1185113199 /nfs/dbraw/zinc/11/31/99/1185113199.db2.gz YXKKQYFRPHURDV-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C#CC[NH2+][C@H](CC)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001753492365 1185235492 /nfs/dbraw/zinc/23/54/92/1185235492.db2.gz MMIDZNMVZMUORK-OAHLLOKOSA-N 2 0 279.428 1.224 20 30 CDEDRP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001753694821 1185304481 /nfs/dbraw/zinc/30/44/81/1185304481.db2.gz HGAPWVXGCSAXBM-GDBMZVCRSA-N 2 0 291.439 1.463 20 30 CDEDRP CC#CC[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCCC1 ZINC001753748079 1185326812 /nfs/dbraw/zinc/32/68/12/1185326812.db2.gz GGKXCRFXZNICFI-MRXNPFEDSA-N 2 0 293.455 1.616 20 30 CDEDRP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001754802444 1185734733 /nfs/dbraw/zinc/73/47/33/1185734733.db2.gz BPHMZPUJWLZATL-HZPDHXFCSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001754826288 1185742254 /nfs/dbraw/zinc/74/22/54/1185742254.db2.gz YLFSUHIUWKCBRM-LSDHHAIUSA-N 2 0 281.444 1.588 20 30 CDEDRP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CCC[NH+](C)C)CC1 ZINC001754834257 1185743517 /nfs/dbraw/zinc/74/35/17/1185743517.db2.gz DMINDQHOFKRREW-WKILWMFISA-N 2 0 293.455 1.474 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001755115164 1185821539 /nfs/dbraw/zinc/82/15/39/1185821539.db2.gz ZHEZUNHPYZRWBS-DZGCQCFKSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001755313603 1185910255 /nfs/dbraw/zinc/91/02/55/1185910255.db2.gz NNVWDAGYYUVMQJ-AWEZNQCLSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CC[NH+]1CCCCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001755368116 1185929609 /nfs/dbraw/zinc/92/96/09/1185929609.db2.gz NGYDQFOJRZWTOZ-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001755589851 1186004175 /nfs/dbraw/zinc/00/41/75/1186004175.db2.gz BYKKHTNYQWPZTR-UONOGXRCSA-N 2 0 267.417 1.483 20 30 CDEDRP C=C(C)C[N@@H+](C)CCN(C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001755817120 1186078401 /nfs/dbraw/zinc/07/84/01/1186078401.db2.gz DTDKHHNNSZXCDF-UHFFFAOYSA-N 2 0 293.455 1.827 20 30 CDEDRP CC[NH+]1CCN(CCNC(=[NH2+])Nc2ccc(C)cc2)CC1 ZINC000303886615 1186582049 /nfs/dbraw/zinc/58/20/49/1186582049.db2.gz KISLZYOUMAWCOF-UHFFFAOYSA-N 2 0 289.427 1.359 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133863892 1163938767 /nfs/dbraw/zinc/93/87/67/1163938767.db2.gz QWDFKQSRDLEOCL-LSDHHAIUSA-N 2 0 281.444 1.636 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033228879 705322337 /nfs/dbraw/zinc/32/23/37/705322337.db2.gz PBZGFCKPUILECY-OAHLLOKOSA-N 2 0 289.423 1.171 20 30 CDEDRP C=C(Cl)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001027970307 705348108 /nfs/dbraw/zinc/34/81/08/705348108.db2.gz AEDZWWAFGVHFGW-KGLIPLIRSA-N 2 0 299.846 1.804 20 30 CDEDRP C#CCN1CCC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H]1C ZINC000993510190 705496863 /nfs/dbraw/zinc/49/68/63/705496863.db2.gz TXHBNJFODCIYEE-JSGCOSHPSA-N 2 0 296.374 1.779 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+](CC(C)C)C1)NC1CC1 ZINC000305166333 705520302 /nfs/dbraw/zinc/52/03/02/705520302.db2.gz DASUCFFGWGLOFL-ZDUSSCGKSA-N 2 0 266.433 1.682 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001033416080 705523051 /nfs/dbraw/zinc/52/30/51/705523051.db2.gz NAEBPJPEQNAIIF-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c[nH]ccc-2n1 ZINC001027969933 705576157 /nfs/dbraw/zinc/57/61/57/705576157.db2.gz COQBXKHMEZQYBV-CQSZACIVSA-N 2 0 296.374 1.780 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001049369362 705592698 /nfs/dbraw/zinc/59/26/98/705592698.db2.gz NNDNGDAYDPUCKS-BZUAXINKSA-N 2 0 289.423 1.169 20 30 CDEDRP C=CC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000852410480 705704416 /nfs/dbraw/zinc/70/44/16/705704416.db2.gz MRCLRDMBNUKTDR-GJZGRUSLSA-N 2 0 252.402 1.731 20 30 CDEDRP C#CCN1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001015857902 705715000 /nfs/dbraw/zinc/71/50/00/705715000.db2.gz IKTYHKXIMWMEOA-INIZCTEOSA-N 2 0 285.391 1.186 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052935990 705725220 /nfs/dbraw/zinc/72/52/20/705725220.db2.gz XHZYHUXIAYKOAP-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C[NH+]=C(NC[C@H](C)C[NH+]1CCCCC1)NC1CC1 ZINC000848995391 705725265 /nfs/dbraw/zinc/72/52/65/705725265.db2.gz QKTDRFSWOZKLMF-LBPRGKRZSA-N 2 0 252.406 1.436 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000997056127 705736620 /nfs/dbraw/zinc/73/66/20/705736620.db2.gz ALSYLMFUIKHLIV-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014715418 705769523 /nfs/dbraw/zinc/76/95/23/705769523.db2.gz CEYCXQPYQMCRKS-CABCVRRESA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C1CCC1 ZINC001049514693 705803936 /nfs/dbraw/zinc/80/39/36/705803936.db2.gz ITOMOTBZCZTEFS-HZPDHXFCSA-N 2 0 291.439 1.722 20 30 CDEDRP [NH2+]=C(NCC[NH+]1CCCCC1)N1CCCCCC1 ZINC000125910946 705895921 /nfs/dbraw/zinc/89/59/21/705895921.db2.gz SZOFZGWQNZRHGZ-UHFFFAOYSA-N 2 0 252.406 1.663 20 30 CDEDRP C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000304758497 705978884 /nfs/dbraw/zinc/97/88/84/705978884.db2.gz QDDSFCSLCWJKGY-STQMWFEESA-N 2 0 252.406 1.375 20 30 CDEDRP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001028592399 706007998 /nfs/dbraw/zinc/00/79/98/706007998.db2.gz MDXIPDNRSPVTJR-JKSUJKDBSA-N 2 0 293.455 1.588 20 30 CDEDRP C[C@H]1C[C@@H]([NH2+]CCNc2ccc(C#N)cn2)CC[N@@H+]1C ZINC000927164492 706015760 /nfs/dbraw/zinc/01/57/60/706015760.db2.gz LDFWGPHIASJASG-JSGCOSHPSA-N 2 0 273.384 1.437 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001042356448 706054596 /nfs/dbraw/zinc/05/45/96/706054596.db2.gz IFLLVQBNFFVOEU-GJZGRUSLSA-N 2 0 277.412 1.191 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)CC1 ZINC001050664338 706148582 /nfs/dbraw/zinc/14/85/82/706148582.db2.gz MKNFUCSMLKLXGH-GJZGRUSLSA-N 2 0 291.439 1.295 20 30 CDEDRP C#CCN(C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)C1CC[NH+](C)CC1 ZINC000886573749 706163460 /nfs/dbraw/zinc/16/34/60/706163460.db2.gz VJLDDMCIKYMEBH-HNNXBMFYSA-N 2 0 291.439 1.415 20 30 CDEDRP C#CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC000996449105 706170215 /nfs/dbraw/zinc/17/02/15/706170215.db2.gz NGSNYPBJPGQBKJ-HNNXBMFYSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992486186 706191498 /nfs/dbraw/zinc/19/14/98/706191498.db2.gz CGJXQIBXYBDXCH-ZMSDIMECSA-N 2 0 291.439 1.627 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](CC)C1)NC(C)(C)C ZINC000103895524 709595468 /nfs/dbraw/zinc/59/54/68/709595468.db2.gz JXXDCTCFLIEBMI-LBPRGKRZSA-N 2 0 254.422 1.682 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001028637082 709705348 /nfs/dbraw/zinc/70/53/48/709705348.db2.gz UITBNPDTCHYARC-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001052254736 709799517 /nfs/dbraw/zinc/79/95/17/709799517.db2.gz OTORSZQJFCLBJO-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CCN1CCC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000886661556 709811570 /nfs/dbraw/zinc/81/15/70/709811570.db2.gz XFZPMXLSEJCIHS-QGZVFWFLSA-N 2 0 275.440 1.548 20 30 CDEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000303910731 709843192 /nfs/dbraw/zinc/84/31/92/709843192.db2.gz ZDKYLVGIOIDGDX-CQSZACIVSA-N 2 0 260.385 1.085 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC001044745791 709871580 /nfs/dbraw/zinc/87/15/80/709871580.db2.gz ZUZIZURRKXHROU-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046596153 709871705 /nfs/dbraw/zinc/87/17/05/709871705.db2.gz UYNNYXCSHFIQLQ-QGZVFWFLSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC000996449106 709881868 /nfs/dbraw/zinc/88/18/68/709881868.db2.gz NGSNYPBJPGQBKJ-OAHLLOKOSA-N 2 0 291.439 1.178 20 30 CDEDRP COc1cccc(NC(=[NH2+])NC[C@@H](C2CC2)[NH+](C)C)c1 ZINC000303881042 710001959 /nfs/dbraw/zinc/00/19/59/710001959.db2.gz KOFHDOGLLZSNIK-AWEZNQCLSA-N 2 0 276.384 1.762 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001023275755 710182113 /nfs/dbraw/zinc/18/21/13/710182113.db2.gz SFERCQNWKKANGB-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001016692067 710220028 /nfs/dbraw/zinc/22/00/28/710220028.db2.gz ZIHMXNUPGYPZHL-GJZGRUSLSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001026400804 710228156 /nfs/dbraw/zinc/22/81/56/710228156.db2.gz PYHAXJAQOSOVPG-SOUVJXGZSA-N 2 0 289.423 1.095 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000996993844 710251948 /nfs/dbraw/zinc/25/19/48/710251948.db2.gz GFLNZRKFYFMKQC-AWEZNQCLSA-N 2 0 279.428 1.627 20 30 CDEDRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000923420284 710342938 /nfs/dbraw/zinc/34/29/38/710342938.db2.gz HKKWGJAGPZBAKL-NWANDNLSSA-N 2 0 289.379 1.013 20 30 CDEDRP C[C@H](C#N)OCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878748463 710380118 /nfs/dbraw/zinc/38/01/18/710380118.db2.gz VNRFSZONFHAGQC-CQSZACIVSA-N 2 0 274.368 1.522 20 30 CDEDRP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023372470 710385105 /nfs/dbraw/zinc/38/51/05/710385105.db2.gz SXOHYIVJGIROMA-GOEBONIOSA-N 2 0 291.439 1.342 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033272375 710393696 /nfs/dbraw/zinc/39/36/96/710393696.db2.gz MSUZWVKZZJUPDZ-INIZCTEOSA-N 2 0 296.374 1.504 20 30 CDEDRP C#CCC[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052867389 710522132 /nfs/dbraw/zinc/52/21/32/710522132.db2.gz LXDRAEQQQDCINO-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015051881 710540673 /nfs/dbraw/zinc/54/06/73/710540673.db2.gz FKRHZEVAPSIXEB-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001049889095 710569767 /nfs/dbraw/zinc/56/97/67/710569767.db2.gz BNPQGZRXNQFTEL-OWCLPIDISA-N 2 0 291.439 1.580 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052933763 710633041 /nfs/dbraw/zinc/63/30/41/710633041.db2.gz FGFYUNAKUOWXFA-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992422182 710726231 /nfs/dbraw/zinc/72/62/31/710726231.db2.gz ZODBHHJLTBHXPP-ZMSDIMECSA-N 2 0 289.423 1.075 20 30 CDEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001072979630 710779363 /nfs/dbraw/zinc/77/93/63/710779363.db2.gz GCJMUXWDLCIPSW-OAHLLOKOSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001040639024 710808209 /nfs/dbraw/zinc/80/82/09/710808209.db2.gz WVBBZGCPBVCBBZ-HNNXBMFYSA-N 2 0 289.423 1.028 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2ccnc2)CC[C@@H]1C ZINC001072123476 711384840 /nfs/dbraw/zinc/38/48/40/711384840.db2.gz RNONRZLUBSNIPN-GJZGRUSLSA-N 2 0 290.411 1.818 20 30 CDEDRP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001027789680 711411713 /nfs/dbraw/zinc/41/17/13/711411713.db2.gz JWFSZHXPADCNQY-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C#C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCO1 ZINC000839015523 711414825 /nfs/dbraw/zinc/41/48/25/711414825.db2.gz RVHSYLLMCNVPDU-DLBZAZTESA-N 2 0 285.391 1.821 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001027680826 711464527 /nfs/dbraw/zinc/46/45/27/711464527.db2.gz KCBDAMWZGDGIIH-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033837479 711477358 /nfs/dbraw/zinc/47/73/58/711477358.db2.gz IDZVXVSSGJUYIH-BZUAXINKSA-N 2 0 291.439 1.273 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001027417119 711522674 /nfs/dbraw/zinc/52/26/74/711522674.db2.gz VDSFGZFYIJDSOA-QLFBSQMISA-N 2 0 279.428 1.435 20 30 CDEDRP c1nncn1[NH+]=C1CCOC[C@H]1C[NH+]1CCCCC1 ZINC000787143767 711560343 /nfs/dbraw/zinc/56/03/43/711560343.db2.gz BNTQIMJFZIHVTI-GFCCVEGCSA-N 2 0 263.345 1.005 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001038339795 711565803 /nfs/dbraw/zinc/56/58/03/711565803.db2.gz JVXAYOVGVMKCPF-JKSUJKDBSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[N@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001072941527 711626727 /nfs/dbraw/zinc/62/67/27/711626727.db2.gz VBPZUXJDTNVLFM-UHFFFAOYSA-N 2 0 291.439 1.439 20 30 CDEDRP CC#CCN1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001031806951 711678817 /nfs/dbraw/zinc/67/88/17/711678817.db2.gz WAKZRRSTNMHHNQ-INIZCTEOSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016249132 711714876 /nfs/dbraw/zinc/71/48/76/711714876.db2.gz FOSYJZJJAVULIE-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049552733 711776682 /nfs/dbraw/zinc/77/66/82/711776682.db2.gz VRVJEPJPMYDKNI-QLFBSQMISA-N 2 0 277.412 1.025 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001038443163 711779113 /nfs/dbraw/zinc/77/91/13/711779113.db2.gz GQHMTRYNCVKYBT-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001054735749 711786582 /nfs/dbraw/zinc/78/65/82/711786582.db2.gz KEAYGOZRPLUFJP-OLZOCXBDSA-N 2 0 265.401 1.093 20 30 CDEDRP CCC#C[C@H](C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879594081 711802657 /nfs/dbraw/zinc/80/26/57/711802657.db2.gz XATRNUNAVUJBQF-HNNXBMFYSA-N 2 0 263.429 1.500 20 30 CDEDRP CCOCCCNC(=[NH2+])NCCC[NH+]1CCCCC1 ZINC000170908574 711805038 /nfs/dbraw/zinc/80/50/38/711805038.db2.gz OSIHZXQOXPICSW-UHFFFAOYSA-N 2 0 270.421 1.193 20 30 CDEDRP C[C@H]1CCCN(C(=[NH2+])NCCC[NH+]2CCCCC2)C1 ZINC000170908585 711810447 /nfs/dbraw/zinc/81/04/47/711810447.db2.gz IVDSLBRROFURKO-AWEZNQCLSA-N 2 0 266.433 1.909 20 30 CDEDRP C#CCC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038520417 711820722 /nfs/dbraw/zinc/82/07/22/711820722.db2.gz PTRWMQJDDIEKME-HNNXBMFYSA-N 2 0 282.347 1.162 20 30 CDEDRP C=CC[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000883416048 711833334 /nfs/dbraw/zinc/83/33/34/711833334.db2.gz KOYWLMDLADTUHV-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC=C)[C@@H]2C)CC1 ZINC001089060168 912554495 /nfs/dbraw/zinc/55/44/95/912554495.db2.gz XHIZVLINSUIRQW-ZBFHGGJFSA-N 2 0 289.423 1.097 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])NC1CCC(C)(C#N)CC1 ZINC001173593513 912637132 /nfs/dbraw/zinc/63/71/32/912637132.db2.gz RJDORDZWWBAAIW-UHFFFAOYSA-N 2 0 279.432 1.915 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210494460 895277838 /nfs/dbraw/zinc/27/78/38/895277838.db2.gz UWCXTJNWTZISKA-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127344689 913955183 /nfs/dbraw/zinc/95/51/83/913955183.db2.gz QFZQMHLWYGTLLX-OAHLLOKOSA-N 2 0 291.439 1.370 20 30 CDEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176574014 914183818 /nfs/dbraw/zinc/18/38/18/914183818.db2.gz QBXJROTYSKXBEC-AWEZNQCLSA-N 2 0 267.417 1.533 20 30 CDEDRP C=CC[NH+]1CCCO[C@@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001150620619 914243246 /nfs/dbraw/zinc/24/32/46/914243246.db2.gz VALMJGHMESZBAN-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267576605 898488717 /nfs/dbraw/zinc/48/87/17/898488717.db2.gz UGDJJUNCQYMWIE-GJZGRUSLSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001104809500 899525890 /nfs/dbraw/zinc/52/58/90/899525890.db2.gz IJMYFHNIOYETFG-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP N#Cc1cc(C[NH+]2CCC(F)(C[NH3+])CC2)ccc1F ZINC001222533426 900222078 /nfs/dbraw/zinc/22/20/78/900222078.db2.gz YNGGYRHHOOYQLY-UHFFFAOYSA-N 2 0 265.307 1.960 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001027414293 900480405 /nfs/dbraw/zinc/48/04/05/900480405.db2.gz MAPRTZDTTPXZMZ-HZPDHXFCSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087828430 905880858 /nfs/dbraw/zinc/88/08/58/905880858.db2.gz KZGGFRUYKPGCLG-SOUVJXGZSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189054640 921261365 /nfs/dbraw/zinc/26/13/65/921261365.db2.gz ITQUEVJMGOZBDY-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCCC[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100985003 908719722 /nfs/dbraw/zinc/71/97/22/908719722.db2.gz XYZLQOYCPCUUMD-UHFFFAOYSA-N 2 0 279.428 1.533 20 30 CDEDRP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092507623 909439526 /nfs/dbraw/zinc/43/95/26/909439526.db2.gz JEIGFUQGDCNTQP-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001483177899 909922456 /nfs/dbraw/zinc/92/24/56/909922456.db2.gz QMYBFGXIXULRLV-CYBMUJFWSA-N 2 0 287.835 1.565 20 30 CDEDRP C[C@@H](CCCC#N)[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001172499042 911734496 /nfs/dbraw/zinc/73/44/96/911734496.db2.gz ABKSWSRCRVGSJC-AWEZNQCLSA-N 2 0 280.416 1.165 20 30 CDEDRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(C#N)nc2)CC1 ZINC001206310769 915073535 /nfs/dbraw/zinc/07/35/35/915073535.db2.gz BXMKWMVSCWUDCO-OAHLLOKOSA-N 2 0 258.369 1.904 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001178728962 915617704 /nfs/dbraw/zinc/61/77/04/915617704.db2.gz KWPFPCARUSFUSB-INIZCTEOSA-N 2 0 293.455 1.760 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1C ZINC001178817470 915662458 /nfs/dbraw/zinc/66/24/58/915662458.db2.gz DUCBTPVTNXUPPH-IHRRRGAJSA-N 2 0 285.407 1.431 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203359075 915807962 /nfs/dbraw/zinc/80/79/62/915807962.db2.gz NRZIIEYHICYHIT-KBPBESRZSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001180369368 916318728 /nfs/dbraw/zinc/31/87/28/916318728.db2.gz AXZVZHMZNWAOPA-MRXNPFEDSA-N 2 0 293.455 1.760 20 30 CDEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001183399449 918472435 /nfs/dbraw/zinc/47/24/35/918472435.db2.gz WDCAZJZWJPRMTD-NVXWUHKLSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001183411011 918476564 /nfs/dbraw/zinc/47/65/64/918476564.db2.gz WAUKDJUVHMNSJA-NVXWUHKLSA-N 2 0 293.455 1.733 20 30 CDEDRP CC[C@H](CC#N)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001255163557 936514185 /nfs/dbraw/zinc/51/41/85/936514185.db2.gz HIOHVWANLDXPHL-CYBMUJFWSA-N 2 0 251.374 1.379 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001183868186 918743218 /nfs/dbraw/zinc/74/32/18/918743218.db2.gz KYQUVFJJCBUXFK-HZPDHXFCSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001185448268 919630335 /nfs/dbraw/zinc/63/03/35/919630335.db2.gz WWOXMVODAGBERX-JKSUJKDBSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001185548372 919649636 /nfs/dbraw/zinc/64/96/36/919649636.db2.gz MCDZZTBTJRWHMI-CVEARBPZSA-N 2 0 295.471 1.979 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001186405673 920018149 /nfs/dbraw/zinc/01/81/49/920018149.db2.gz XETGBJKKDTXROE-MRXNPFEDSA-N 2 0 293.455 1.712 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186834449 920173600 /nfs/dbraw/zinc/17/36/00/920173600.db2.gz OSEVKIMMHWJDFD-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001187894305 920716540 /nfs/dbraw/zinc/71/65/40/920716540.db2.gz GCLIPVMIKOKVRA-OAHLLOKOSA-N 2 0 279.428 1.629 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106436 920837325 /nfs/dbraw/zinc/83/73/25/920837325.db2.gz LPLNKYQCJMQYBP-OAHLLOKOSA-N 2 0 277.412 1.076 20 30 CDEDRP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190148882 921851172 /nfs/dbraw/zinc/85/11/72/921851172.db2.gz LITBZAJYYQOXPL-ARFHVFGLSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001099010816 936774676 /nfs/dbraw/zinc/77/46/76/936774676.db2.gz ONUGDLRYGMJDJD-RDJZCZTQSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192007913 922868515 /nfs/dbraw/zinc/86/85/15/922868515.db2.gz SWUYFLWMLFWPQC-CQSZACIVSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192384834 923050859 /nfs/dbraw/zinc/05/08/59/923050859.db2.gz AIMMRKSMTGJAGQ-GJZGRUSLSA-N 2 0 297.443 1.062 20 30 CDEDRP C[C@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)CC[C@@H]1C[NH3+] ZINC001205618622 923417375 /nfs/dbraw/zinc/41/73/75/923417375.db2.gz XSACWAWWVPBSKX-GXTWGEPZSA-N 2 0 260.385 1.704 20 30 CDEDRP C#CCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001079698271 924408061 /nfs/dbraw/zinc/40/80/61/924408061.db2.gz SUIPBPDFUMAAHD-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001100873273 936942214 /nfs/dbraw/zinc/94/22/14/936942214.db2.gz ZWZWRVLPXBJXSO-WLYUNCDWSA-N 2 0 279.428 1.389 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001101037762 936953517 /nfs/dbraw/zinc/95/35/17/936953517.db2.gz WAQTWCHNWFRCSA-GPANFISMSA-N 2 0 291.439 1.224 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001082556781 924958035 /nfs/dbraw/zinc/95/80/35/924958035.db2.gz CPLCCKBHJUAPBI-OWCLPIDISA-N 2 0 291.439 1.034 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001082741208 924991198 /nfs/dbraw/zinc/99/11/98/924991198.db2.gz SOQLVIYHVWRMPZ-MGPQQGTHSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CCCC[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196944125 925018676 /nfs/dbraw/zinc/01/86/76/925018676.db2.gz YQFSLNCAKDSZQZ-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001152452201 925430665 /nfs/dbraw/zinc/43/06/65/925430665.db2.gz WPYYTPREBWLYSX-CABCVRRESA-N 2 0 281.444 1.921 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001085395370 925932952 /nfs/dbraw/zinc/93/29/52/925932952.db2.gz IPSAONRROATFFJ-HUUCEWRRSA-N 2 0 291.439 1.675 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001085519771 926110329 /nfs/dbraw/zinc/11/03/29/926110329.db2.gz XEGSDUXODODTMR-ZIAGYGMSSA-N 2 0 265.401 1.189 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514326 937062471 /nfs/dbraw/zinc/06/24/71/937062471.db2.gz UCFHCFOHWQXHMI-BZUAXINKSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001086177044 926793220 /nfs/dbraw/zinc/79/32/20/926793220.db2.gz CECCHHJOHZZORV-ZQDZILKHSA-N 2 0 279.428 1.387 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001111789101 937232615 /nfs/dbraw/zinc/23/26/15/937232615.db2.gz XQHCNEXIWPZMPB-UXLLHSPISA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001109443765 928940196 /nfs/dbraw/zinc/94/01/96/928940196.db2.gz DKAYIOVFPNDBLR-BARDWOONSA-N 2 0 279.428 1.624 20 30 CDEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109654157 928999476 /nfs/dbraw/zinc/99/94/76/928999476.db2.gz ZAQCSIFLXQGVHT-ILXRZTDVSA-N 2 0 277.412 1.073 20 30 CDEDRP C=CC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001152479552 937365886 /nfs/dbraw/zinc/36/58/86/937365886.db2.gz HSZKDQLVMXIQQB-CQSZACIVSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CC[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134750164 929884528 /nfs/dbraw/zinc/88/45/28/929884528.db2.gz NSDKIIDIIHRGBL-ZDUSSCGKSA-N 2 0 253.390 1.143 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135095347 930050625 /nfs/dbraw/zinc/05/06/25/930050625.db2.gz FIWBGCDFYOXSRH-KGLIPLIRSA-N 2 0 265.401 1.285 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)C[N@@H+](C)CCCCCC ZINC001135436970 930204101 /nfs/dbraw/zinc/20/41/01/930204101.db2.gz IDEQMKXBDUUUHT-UHFFFAOYSA-N 2 0 289.851 1.957 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)[C@H](C2CC2)[NH+](C)C)CCCCC1 ZINC001115573093 937396035 /nfs/dbraw/zinc/39/60/35/937396035.db2.gz HQZOIBDMTAQFGD-HNNXBMFYSA-N 2 0 293.455 1.921 20 30 CDEDRP CC#CC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCCCC1 ZINC001115734219 937417250 /nfs/dbraw/zinc/41/72/50/937417250.db2.gz CIQURXBHNVMJKX-HNNXBMFYSA-N 2 0 293.455 1.759 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863725 930517410 /nfs/dbraw/zinc/51/74/10/930517410.db2.gz XZCRAHJZCIUIKP-ARFHVFGLSA-N 2 0 293.455 1.615 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939003 930550610 /nfs/dbraw/zinc/55/06/10/930550610.db2.gz RPQKYQPDSWLGRR-OLZOCXBDSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CCN(CC[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1)C(=O)OCC ZINC001205980916 930555677 /nfs/dbraw/zinc/55/56/77/930555677.db2.gz ALZVKEHASCGXOJ-LSDHHAIUSA-N 2 0 297.443 1.938 20 30 CDEDRP C[Si](C)(C)C#Cc1cccnc1N[C@H]([NH3+])CCC[NH3+] ZINC001159786529 930852417 /nfs/dbraw/zinc/85/24/17/930852417.db2.gz CSUWHDDETLLYSC-ZDUSSCGKSA-N 2 0 276.460 1.746 20 30 CDEDRP CCCNC(=[NH2+])NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000104168582 931322445 /nfs/dbraw/zinc/32/24/45/931322445.db2.gz BMWOEIAXHKNKJY-BETUJISGSA-N 2 0 254.422 1.669 20 30 CDEDRP C=CC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154069429 937499859 /nfs/dbraw/zinc/49/98/59/937499859.db2.gz DKMZKMZLMPVOSZ-CYBMUJFWSA-N 2 0 269.433 1.729 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001091326092 932093915 /nfs/dbraw/zinc/09/39/15/932093915.db2.gz AWGUMUMOBCZPTM-UHFFFAOYSA-N 2 0 297.830 1.319 20 30 CDEDRP C#CCCC[NH+]1C[C@@H]2CC[N@H+](COCCOC)CC[C@@H]2C1 ZINC001275975409 932188887 /nfs/dbraw/zinc/18/88/87/932188887.db2.gz BOJWHOLCYBPDQO-CALCHBBNSA-N 2 0 294.439 1.664 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001171317708 932636161 /nfs/dbraw/zinc/63/61/61/932636161.db2.gz KFDKPICIPRMJFP-JKSUJKDBSA-N 2 0 293.455 1.759 20 30 CDEDRP C[C@@H]1C[C@@H](CNc2ncc3c(c2C#N)CCC[NH2+]C3)C[NH2+]1 ZINC001155095657 937634281 /nfs/dbraw/zinc/63/42/81/937634281.db2.gz TULRUQHWYSWEDK-VXGBXAGGSA-N 2 0 285.395 1.399 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001171367268 932881006 /nfs/dbraw/zinc/88/10/06/932881006.db2.gz LBCZJWXHUPPTSD-HOTGVXAUSA-N 2 0 295.471 1.861 20 30 CDEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001114829450 935002188 /nfs/dbraw/zinc/00/21/88/935002188.db2.gz XGDWRLVVYZWNDK-QXSJWSMHSA-N 2 0 291.439 1.177 20 30 CDEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CC(C)(C)C ZINC001114849157 935030093 /nfs/dbraw/zinc/03/00/93/935030093.db2.gz LLDLMBAILIJRPW-FOLVSLTJSA-N 2 0 291.439 1.034 20 30 CDEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122177903 937911058 /nfs/dbraw/zinc/91/10/58/937911058.db2.gz MIWUBXLSEPEMJO-HOUHCIJLSA-N 2 0 291.439 1.531 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)N2CCC[C@]23CCC[NH2+]C3)C1 ZINC001158159604 938588043 /nfs/dbraw/zinc/58/80/43/938588043.db2.gz FKHLPFVTBNVHGK-GJZGRUSLSA-N 2 0 263.385 1.039 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001159148392 938706363 /nfs/dbraw/zinc/70/63/63/938706363.db2.gz FIPJCVYQQCFCMD-CYBMUJFWSA-N 2 0 273.396 1.338 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159860992 938757553 /nfs/dbraw/zinc/75/75/53/938757553.db2.gz HXUQUSUYIILRMP-UHFFFAOYSA-N 2 0 253.390 1.143 20 30 CDEDRP N#Cc1c[nH]c2nc(N[C@@]3(C[NH3+])C[NH+]4CCC3CC4)ccc12 ZINC001160513785 938793606 /nfs/dbraw/zinc/79/36/06/938793606.db2.gz QVPAVEKJVGNHHV-INIZCTEOSA-N 2 0 296.378 1.270 20 30 CDEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C#N ZINC001160635586 938805310 /nfs/dbraw/zinc/80/53/10/938805310.db2.gz AZSJUBRYYYIMFP-KGLIPLIRSA-N 2 0 280.416 1.387 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160866931 938834568 /nfs/dbraw/zinc/83/45/68/938834568.db2.gz DNHDSYPLPXIVOW-KBPBESRZSA-N 2 0 299.846 1.852 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N(CC)[C@@H]1CCC[NH2+]C1 ZINC001161339863 938892943 /nfs/dbraw/zinc/89/29/43/938892943.db2.gz NDYJREXGIOBDHL-CQSZACIVSA-N 2 0 265.401 1.239 20 30 CDEDRP Cc1cc(NCCC[NH2+]CCCC[NH3+])ncc1C#N ZINC001162290084 938971943 /nfs/dbraw/zinc/97/19/43/938971943.db2.gz IFDGKTDPJYMTBS-UHFFFAOYSA-N 2 0 261.373 1.392 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164577808 939495126 /nfs/dbraw/zinc/49/51/26/939495126.db2.gz TXFQSWUXYBEQKU-GJZGRUSLSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164576793 939495408 /nfs/dbraw/zinc/49/54/08/939495408.db2.gz GDPKNHIUTSWJGH-KBPBESRZSA-N 2 0 267.417 1.389 20 30 CDEDRP N#Cc1ccc2cc(C[N@H+]3CCC[C@](O)(C[NH3+])CC3)[nH]c2c1 ZINC001205256537 939843431 /nfs/dbraw/zinc/84/34/31/939843431.db2.gz PGNVCGMZGNBGBB-QGZVFWFLSA-N 2 0 298.390 1.715 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001205524334 939895560 /nfs/dbraw/zinc/89/55/60/939895560.db2.gz ICIHMPKGRDSXGX-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)CCC[C@H]1C[NH3+] ZINC001206011310 939967169 /nfs/dbraw/zinc/96/71/69/939967169.db2.gz BMBSHOFESISKQD-OLZOCXBDSA-N 2 0 258.369 1.760 20 30 CDEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001206147186 939986488 /nfs/dbraw/zinc/98/64/88/939986488.db2.gz XDVHYPIPHYLOHB-UHFFFAOYSA-N 2 0 287.835 1.519 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001206169957 939989540 /nfs/dbraw/zinc/98/95/40/939989540.db2.gz VCPDISDVFTXRKN-MRXNPFEDSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001206274501 940009857 /nfs/dbraw/zinc/00/98/57/940009857.db2.gz IOTDUVAQPVHYGV-OAHLLOKOSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001206274509 940010019 /nfs/dbraw/zinc/01/00/19/940010019.db2.gz ISUFNLGUOZOQBI-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001206886393 940107343 /nfs/dbraw/zinc/10/73/43/940107343.db2.gz JSKMZRCRGLXDSX-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206928579 940113148 /nfs/dbraw/zinc/11/31/48/940113148.db2.gz AOCZUZCHVZCCQR-INIZCTEOSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207551127 940214866 /nfs/dbraw/zinc/21/48/66/940214866.db2.gz UONUGKFSZKNMKP-BMFZPTHFSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001208333915 940320441 /nfs/dbraw/zinc/32/04/41/940320441.db2.gz AGVTZWOIALIYET-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCN(CC[NH+]1CC2(C1)CC[NH+](C)CC2)C(=O)OCC ZINC001209020204 940424355 /nfs/dbraw/zinc/42/43/55/940424355.db2.gz DXGANKBYCVQDMR-UHFFFAOYSA-N 2 0 295.427 1.659 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001209250051 940452983 /nfs/dbraw/zinc/45/29/83/940452983.db2.gz AFUGOEQFTLSRBW-JYJNAYRXSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209302955 940457682 /nfs/dbraw/zinc/45/76/82/940457682.db2.gz HNKSEMIVGFHJMV-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCCCCC[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001209428206 940589095 /nfs/dbraw/zinc/58/90/95/940589095.db2.gz BBIFBQREWHCVJZ-UHFFFAOYSA-N 2 0 281.444 1.829 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211072945 940728022 /nfs/dbraw/zinc/72/80/22/940728022.db2.gz XKYRADPHORJEOO-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213767411 940785520 /nfs/dbraw/zinc/78/55/20/940785520.db2.gz RUJCQNAUPHSFBZ-HUUCEWRRSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001217932942 941029980 /nfs/dbraw/zinc/02/99/80/941029980.db2.gz FHGLRAZIQFSFAT-BZUAXINKSA-N 2 0 294.439 1.858 20 30 CDEDRP C=C1CC[NH2+]C[C@@H]1Oc1ccc2c(n1)CC[NH2+]CC2 ZINC001218204171 941044070 /nfs/dbraw/zinc/04/40/70/941044070.db2.gz NPTFBEATJKKUJQ-AWEZNQCLSA-N 2 0 259.353 1.067 20 30 CDEDRP N#Cc1ccnc(NC(=O)c2ccc([C@@H](N)C[NH3+])cc2)c1 ZINC001218505287 941226244 /nfs/dbraw/zinc/22/62/44/941226244.db2.gz PSABGDZZSRRHNV-ZDUSSCGKSA-N 2 0 281.319 1.164 20 30 CDEDRP C[C@@H](C#N)c1ccc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cc1 ZINC001218871715 941282493 /nfs/dbraw/zinc/28/24/93/941282493.db2.gz QHVHJWUECLMGJY-XHDPSFHLSA-N 2 0 286.379 1.579 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777079 941550162 /nfs/dbraw/zinc/55/01/62/941550162.db2.gz QIPPAKAGOLUAOE-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP CC#CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001221968408 941556132 /nfs/dbraw/zinc/55/61/32/941556132.db2.gz MWSJRJHTWXTODF-HZPDHXFCSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228238453 942283455 /nfs/dbraw/zinc/28/34/55/942283455.db2.gz DXSUBOALIAIFGR-HUUCEWRRSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001263095176 943741914 /nfs/dbraw/zinc/74/19/14/943741914.db2.gz FYQYHMPSXSIEGN-ILXRZTDVSA-N 2 0 281.444 1.907 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235395733 944142962 /nfs/dbraw/zinc/14/29/62/944142962.db2.gz XBKXAJUBOKHZHU-HNNXBMFYSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](CCCC[NH3+])C2 ZINC001235468083 944165138 /nfs/dbraw/zinc/16/51/38/944165138.db2.gz TWVAMLTVHVVVHY-MRXNPFEDSA-N 2 0 279.428 1.758 20 30 CDEDRP N#Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccn1 ZINC001236321043 944469359 /nfs/dbraw/zinc/46/93/59/944469359.db2.gz NVOJLWRKECDNQO-OKILXGFUSA-N 2 0 256.353 1.385 20 30 CDEDRP N#Cc1cc(-c2cc3c(nn2)C[NH2+]C3)cc(C2C[NH2+]C2)c1 ZINC001240342983 945795223 /nfs/dbraw/zinc/79/52/23/945795223.db2.gz GFJPTQLLBMHNPB-UHFFFAOYSA-N 2 0 277.331 1.305 20 30 CDEDRP N#C[C@H]1CC[C@H]([N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001254647408 947570202 /nfs/dbraw/zinc/57/02/02/947570202.db2.gz CKBXQYFPMKWHPD-XUXIUFHCSA-N 2 0 263.385 1.649 20 30 CDEDRP C[NH+]1CCC(C#N)(N[C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254847603 947626280 /nfs/dbraw/zinc/62/62/80/947626280.db2.gz GQMDPVIUHUQQKI-AWEZNQCLSA-N 2 0 262.401 1.048 20 30 CDEDRP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001246150534 947991131 /nfs/dbraw/zinc/99/11/31/947991131.db2.gz WGFQSYSOEYGQHD-MGPQQGTHSA-N 2 0 262.401 1.142 20 30 CDEDRP C[C@@H]1C[C@H]([NH2+]CCOc2ccccc2C#N)CC[NH2+]1 ZINC001246327729 948106549 /nfs/dbraw/zinc/10/65/49/948106549.db2.gz IXYKUHMPNJAFKU-TZMCWYRMSA-N 2 0 259.353 1.667 20 30 CDEDRP C#CCOC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001251848249 950868326 /nfs/dbraw/zinc/86/83/26/950868326.db2.gz XBBPBUWLQPRJBN-SJORKVTESA-N 2 0 294.439 1.338 20 30 CDEDRP C=CCOC[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001252472175 951326661 /nfs/dbraw/zinc/32/66/61/951326661.db2.gz PHAXQFMPFTULSQ-OAHLLOKOSA-N 2 0 291.395 1.076 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+][C@H]1CC[C@@H]([NH+](CC)CC)CC1 ZINC001252499091 951377846 /nfs/dbraw/zinc/37/78/46/951377846.db2.gz VKQKBTAAWGVJHC-OWCLPIDISA-N 2 0 284.444 1.793 20 30 CDEDRP C=C[C@@](C)(O)C[NH2+]C1CC[NH+](CC2CCOCC2)CC1 ZINC001252579251 951471654 /nfs/dbraw/zinc/47/16/54/951471654.db2.gz KSCDTRDFBKXYKZ-MRXNPFEDSA-N 2 0 282.428 1.404 20 30 CDEDRP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001494140663 972185476 /nfs/dbraw/zinc/18/54/76/972185476.db2.gz JFLXOELFCJJSRD-GJZGRUSLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001419435927 961701819 /nfs/dbraw/zinc/70/18/19/961701819.db2.gz MJAPTHPXJKKAGJ-HDJSIYSDSA-N 2 0 299.846 1.852 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC001340267751 962850475 /nfs/dbraw/zinc/85/04/75/962850475.db2.gz WSROAIGWYIJWAI-DGAVXFQQSA-N 2 0 265.401 1.256 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC(O)(C[NH3+])CC1 ZINC001341127954 963286476 /nfs/dbraw/zinc/28/64/76/963286476.db2.gz UJDKMLUBDZPZPH-CQSZACIVSA-N 2 0 299.459 1.377 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)NCC1([NH3+])CC1 ZINC001341302153 963357965 /nfs/dbraw/zinc/35/79/65/963357965.db2.gz LLOPSIVNZJXMNQ-LBPRGKRZSA-N 2 0 255.406 1.672 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N(C)C[C@@H](C)[NH3+] ZINC001341488685 963434496 /nfs/dbraw/zinc/43/44/96/963434496.db2.gz NLMGKQFGFCATFF-CHWSQXEVSA-N 2 0 257.422 1.870 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC001341778358 963539446 /nfs/dbraw/zinc/53/94/46/963539446.db2.gz QVDOEYSGPSIHNA-AWEZNQCLSA-N 2 0 259.353 1.912 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC001353495984 968018828 /nfs/dbraw/zinc/01/88/28/968018828.db2.gz QOLBWSOXQLSUFD-UONOGXRCSA-N 2 0 267.417 1.470 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001100406858 968261173 /nfs/dbraw/zinc/26/11/73/968261173.db2.gz OPWMPOJFXKIEDI-UYSNPLJNSA-N 2 0 293.455 1.920 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001507090122 975332357 /nfs/dbraw/zinc/33/23/57/975332357.db2.gz PERXTSAFUGPSPZ-GFCCVEGCSA-N 2 0 287.835 1.660 20 30 CDEDRP C#CCN(C(=O)NCC[N@@H+](C)[C@H](C)CC)C1CC[NH2+]CC1 ZINC001574590525 1170995204 /nfs/dbraw/zinc/99/52/04/1170995204.db2.gz BUBWKWUJWZHAQJ-CQSZACIVSA-N 2 0 294.443 1.114 20 30 CDEDRP C[C@H](C#N)OCC[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001575052198 1171095291 /nfs/dbraw/zinc/09/52/91/1171095291.db2.gz YKIYGTHHWHXATO-OAHLLOKOSA-N 2 0 287.407 1.908 20 30 CDEDRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](C)CCC#N)C2)CC1 ZINC000585726717 342454080 /nfs/dbraw/zinc/45/40/80/342454080.db2.gz BSJRVOYPKAOLJM-CVEARBPZSA-N 2 0 278.444 1.638 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000351753508 361916079 /nfs/dbraw/zinc/91/60/79/361916079.db2.gz WDECKYJTRIEYGR-JKSUJKDBSA-N 2 0 265.445 1.910 20 30 CDEDRP CCC[N@H+](CC)CCNC(NCc1ccco1)=[NH+]C ZINC000081781423 342373657 /nfs/dbraw/zinc/37/36/57/342373657.db2.gz SJBHCGRHEMWWRA-UHFFFAOYSA-N 2 0 266.389 1.677 20 30 CDEDRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598596071 343840245 /nfs/dbraw/zinc/84/02/45/343840245.db2.gz QJJDZZALODLTRO-HUUCEWRRSA-N 2 0 281.444 1.951 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000445868229 362276039 /nfs/dbraw/zinc/27/60/39/362276039.db2.gz FKNGAWNUZDBCGB-UHFFFAOYSA-N 2 0 294.443 1.420 20 30 CDEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000602582046 344475543 /nfs/dbraw/zinc/47/55/43/344475543.db2.gz MSONSVHAMFMRNV-CQSZACIVSA-N 2 0 277.412 1.937 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCc2ccccc21 ZINC000263268471 362413774 /nfs/dbraw/zinc/41/37/74/362413774.db2.gz VZARKYGGUSCDOD-AWEZNQCLSA-N 2 0 272.396 1.719 20 30 CDEDRP Cc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C)C2)cc1C ZINC000264063481 362955681 /nfs/dbraw/zinc/95/56/81/362955681.db2.gz AGSRJFIVBFEWQH-ZDUSSCGKSA-N 2 0 260.385 1.982 20 30 CDEDRP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170614 356846456 /nfs/dbraw/zinc/84/64/56/356846456.db2.gz QEWVHMVBGRCQJU-CQSZACIVSA-N 2 0 265.401 1.248 20 30 CDEDRP CC[C@@H](C)NC(=[NH2+])NCC(C)(C)[NH+]1CCCCC1 ZINC000058326860 357394328 /nfs/dbraw/zinc/39/43/28/357394328.db2.gz QGYYFUJEQGTNGP-GFCCVEGCSA-N 2 0 254.422 1.954 20 30 CDEDRP C=C(C)CN1CCC([NH2+][C@H](C)CC(=O)N(C)C)CC1 ZINC000153015403 370362921 /nfs/dbraw/zinc/36/29/21/370362921.db2.gz RWUZJGCDJVIKGX-CYBMUJFWSA-N 2 0 267.417 1.483 20 30 CDEDRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000075802245 374199202 /nfs/dbraw/zinc/19/92/02/374199202.db2.gz YAVJGWJRQCOARV-UHFFFAOYSA-N 2 0 286.423 1.674 20 30 CDEDRP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174267645 379424008 /nfs/dbraw/zinc/42/40/08/379424008.db2.gz KSIZBHBPPKKAMY-UHFFFAOYSA-N 2 0 290.411 1.659 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000358223043 390487408 /nfs/dbraw/zinc/48/74/08/390487408.db2.gz JEJKFHRRERUYBB-AWEZNQCLSA-N 2 0 265.401 1.237 20 30 CDEDRP C[C@@H](CNC(=[NH2+])N1CCSCC1)[NH+]1CCC(C)CC1 ZINC000104181379 533361252 /nfs/dbraw/zinc/36/12/52/533361252.db2.gz XSNOCPUSOWRNNA-ZDUSSCGKSA-N 2 0 284.473 1.470 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)NC1CC1 ZINC000265137096 391151134 /nfs/dbraw/zinc/15/11/34/391151134.db2.gz HIOPDOPHHRXSPZ-INIZCTEOSA-N 2 0 286.423 1.978 20 30 CDEDRP C=CCOCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000339011531 391241821 /nfs/dbraw/zinc/24/18/21/391241821.db2.gz VALZTQQGNYJGFU-UHFFFAOYSA-N 2 0 282.428 1.766 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1COc2ccccc21 ZINC000262663774 391809004 /nfs/dbraw/zinc/80/90/04/391809004.db2.gz MNUPOTDSRBWUOF-JSGCOSHPSA-N 2 0 288.395 1.509 20 30 CDEDRP C[NH2+]C[C@@H](C)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423284363 392960329 /nfs/dbraw/zinc/96/03/29/392960329.db2.gz YFKDRLTXVIVZDN-CQSZACIVSA-N 2 0 286.423 1.972 20 30 CDEDRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000423192556 397602250 /nfs/dbraw/zinc/60/22/50/397602250.db2.gz VWUWHKJSDBNOFI-CYBMUJFWSA-N 2 0 290.386 1.643 20 30 CDEDRP C=CCCn1cc(C[NH2+]C2CCC([NH+](C)C)CC2)nn1 ZINC000657493700 414392830 /nfs/dbraw/zinc/39/28/30/414392830.db2.gz IHBXIFSKEGDFTL-UHFFFAOYSA-N 2 0 277.416 1.817 20 30 CDEDRP C[NH+]=C(NCC(C)(C)[NH+](C)C)NC[C@@]1(C)CCCS1 ZINC000261948260 329990536 /nfs/dbraw/zinc/99/05/36/329990536.db2.gz GOABJXWFFCEUAB-CQSZACIVSA-N 2 0 286.489 1.777 20 30 CDEDRP COC1CC[NH+](C2(CNC3=[NH+]C[C@@H](C)N3)CCCC2)CC1 ZINC000262689519 330027409 /nfs/dbraw/zinc/02/74/09/330027409.db2.gz ZSBHPXUOZQUROA-CYBMUJFWSA-N 2 0 294.443 1.347 20 30 CDEDRP C[NH+]=C(NCc1c(C)noc1C)N[C@@H]1CCN(C2CC2)C1 ZINC000262738729 330028923 /nfs/dbraw/zinc/02/89/23/330028923.db2.gz DCEFTSKVDWVUKN-GFCCVEGCSA-N 2 0 291.399 1.193 20 30 CDEDRP C=CC[NH+]1CCC(N[C@@H](CC)[C@@H]2CCC[NH2+]2)CC1 ZINC000422856119 330157762 /nfs/dbraw/zinc/15/77/62/330157762.db2.gz DPGATLTZLURZPX-GJZGRUSLSA-N 2 0 251.418 1.757 20 30 CDEDRP C=C(C)COCC[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422988999 330162953 /nfs/dbraw/zinc/16/29/53/330162953.db2.gz KIEHORUWYLJZMZ-AWEZNQCLSA-N 2 0 298.427 1.490 20 30 CDEDRP C=CCC[C@@H](CO)[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423151784 330172740 /nfs/dbraw/zinc/17/27/40/330172740.db2.gz DYLCTBUXVVYNQS-KBPBESRZSA-N 2 0 298.427 1.225 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000424125916 330259011 /nfs/dbraw/zinc/25/90/11/330259011.db2.gz AXGKFRQTLWYEKK-CABCVRRESA-N 2 0 292.427 1.484 20 30 CDEDRP CC(C)(C)CC[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424126417 330259032 /nfs/dbraw/zinc/25/90/32/330259032.db2.gz BPQDXJYMCJLDBA-CQSZACIVSA-N 2 0 294.443 1.588 20 30 CDEDRP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC000424137271 330274573 /nfs/dbraw/zinc/27/45/73/330274573.db2.gz RWZZSWLNFWEUJI-HNNXBMFYSA-N 2 0 288.395 1.386 20 30 CDEDRP C[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[N@@H+]1CCCC[C@H]1C ZINC000424139417 330279015 /nfs/dbraw/zinc/27/90/15/330279015.db2.gz VGAYCMRIDMBBQI-MCIONIFRSA-N 2 0 280.416 1.387 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1c[nH+]ccc1-n1ccnc1 ZINC000424140439 330280651 /nfs/dbraw/zinc/28/06/51/330280651.db2.gz FZZBPYWTHIUIRP-LLVKDONJSA-N 2 0 284.323 1.227 20 30 CDEDRP C[NH+](C)CCc1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000424153213 330299807 /nfs/dbraw/zinc/29/98/07/330299807.db2.gz JTUHSJKLQYGYTI-HNNXBMFYSA-N 2 0 288.395 1.750 20 30 CDEDRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424157099 330304631 /nfs/dbraw/zinc/30/46/31/330304631.db2.gz PDLKKELHLHESCU-LXTVHRRPSA-N 2 0 294.443 1.490 20 30 CDEDRP C=CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000439075093 330733400 /nfs/dbraw/zinc/73/34/00/330733400.db2.gz ZOLHLXBYYFLYCO-CABCVRRESA-N 2 0 252.402 1.778 20 30 CDEDRP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC000442774971 330782116 /nfs/dbraw/zinc/78/21/16/330782116.db2.gz FQBYOFUJBDXUQD-GDBMZVCRSA-N 2 0 290.455 1.827 20 30 CDEDRP C#CCNC(=O)CC[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000491122619 332152952 /nfs/dbraw/zinc/15/29/52/332152952.db2.gz WYJZHDQKCYHVQE-WBVHZDCISA-N 2 0 285.391 1.161 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])Nc1cccc(OC)c1 ZINC000491624236 332248586 /nfs/dbraw/zinc/24/85/86/332248586.db2.gz JGEKCMROYCYJRC-UHFFFAOYSA-N 2 0 274.368 1.587 20 30 CDEDRP C#CCNC(=O)CC[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000491689808 332287182 /nfs/dbraw/zinc/28/71/82/332287182.db2.gz KKUCMQMXAVQROX-UHFFFAOYSA-N 2 0 299.418 1.512 20 30 CDEDRP C#CCNC(=O)CC[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000491715719 332306050 /nfs/dbraw/zinc/30/60/50/332306050.db2.gz QPWDQVKPCVCYTK-ZDUSSCGKSA-N 2 0 267.417 1.082 20 30 CDEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000577099033 335299773 /nfs/dbraw/zinc/29/97/73/335299773.db2.gz SJIKYCWYPKLHIT-HZPDHXFCSA-N 2 0 291.443 1.293 20 30 CDEDRP C[NH+]=C(NCC(C)(C)[NH+](C)C)NC[C@]1(C)CCCO1 ZINC000261685181 1159932680 /nfs/dbraw/zinc/93/26/80/1159932680.db2.gz DNWSEOKRSBSCDV-AWEZNQCLSA-N 2 0 270.421 1.061 20 30 CDEDRP CCC#C[C@@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000685188483 483090920 /nfs/dbraw/zinc/09/09/20/483090920.db2.gz CNQQRYYVMQEWQM-CQSZACIVSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001752836040 1160627086 /nfs/dbraw/zinc/62/70/86/1160627086.db2.gz KCUAWLSSIJASCB-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001113346299 1162159497 /nfs/dbraw/zinc/15/94/97/1162159497.db2.gz VAEAWZXUAZFTCM-OAHLLOKOSA-N 2 0 279.428 1.439 20 30 CDEDRP C[NH+]1CCC2(CC1)CC(=NNC(N)=[NH2+])c1ccccc1O2 ZINC000755634747 576953011 /nfs/dbraw/zinc/95/30/11/576953011.db2.gz XGYYPLCDSUMWDJ-UHFFFAOYSA-N 2 0 287.367 1.121 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981143495 613309430 /nfs/dbraw/zinc/30/94/30/613309430.db2.gz OLCZRYTXRFANGV-INIZCTEOSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000970383191 613348091 /nfs/dbraw/zinc/34/80/91/613348091.db2.gz QMGPIFTXFJILAN-MRXNPFEDSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000980476541 613633108 /nfs/dbraw/zinc/63/31/08/613633108.db2.gz SNDXUVXLJTZIPS-LSDHHAIUSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[NH+]1CCCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC000982013591 613678380 /nfs/dbraw/zinc/67/83/80/613678380.db2.gz WRLGPSYJHDFWRH-OAHLLOKOSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968386968 613771558 /nfs/dbraw/zinc/77/15/58/613771558.db2.gz SCDJIEILDCKBRB-GOEBONIOSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975056617 613826271 /nfs/dbraw/zinc/82/62/71/613826271.db2.gz YAZUKZMCWUIBNQ-KGLIPLIRSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000891520683 617458397 /nfs/dbraw/zinc/45/83/97/617458397.db2.gz PEPJTZBMSPJALI-OLZOCXBDSA-N 2 0 280.416 1.158 20 30 CDEDRP C[C@@H](CNC(=[NH2+])N1CCC[C@H](C)C1)[N@H+](C)C1CC1 ZINC000104192983 618106477 /nfs/dbraw/zinc/10/64/77/618106477.db2.gz FUKFNDXPWIAESM-RYUDHWBXSA-N 2 0 252.406 1.516 20 30 CDEDRP C=CC1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903728653 626066885 /nfs/dbraw/zinc/06/68/85/626066885.db2.gz DCKZHCIZXFQAFS-CABCVRRESA-N 2 0 250.386 1.653 20 30 CDEDRP C=CCOc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1OC ZINC000906507830 627294632 /nfs/dbraw/zinc/29/46/32/627294632.db2.gz FDIHJRSMSAVUGO-JOCQHMNTSA-N 2 0 262.353 1.839 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000911819294 629546803 /nfs/dbraw/zinc/54/68/03/629546803.db2.gz PHNMFWAQWXKLIE-KGLIPLIRSA-N 2 0 267.417 1.694 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911855944 629594117 /nfs/dbraw/zinc/59/41/17/629594117.db2.gz LBZDJDSAWAEBOD-AGIUHOORSA-N 2 0 251.374 1.023 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000913519413 630524606 /nfs/dbraw/zinc/52/46/06/630524606.db2.gz YPYCVBQNZGQAAC-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000913521529 630527087 /nfs/dbraw/zinc/52/70/87/630527087.db2.gz CRQWOHMPSDASPH-INIZCTEOSA-N 2 0 287.407 1.361 20 30 CDEDRP C=CCCCCC[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001209429240 1158525508 /nfs/dbraw/zinc/52/55/08/1158525508.db2.gz XCIBSAHKPQOUDL-UHFFFAOYSA-N 2 0 253.434 1.912 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130425317 1162623484 /nfs/dbraw/zinc/62/34/84/1162623484.db2.gz TVTVYTBFAUDENY-CYBMUJFWSA-N 2 0 269.433 1.777 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCc2nc(C)[nH]c2C1 ZINC001130490784 1162638775 /nfs/dbraw/zinc/63/87/75/1162638775.db2.gz IKUYTHBXLSDTIK-LBPRGKRZSA-N 2 0 276.384 1.105 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196501 1162830372 /nfs/dbraw/zinc/83/03/72/1162830372.db2.gz IEWFRSSHOALRGQ-UHFFFAOYSA-N 2 0 299.378 1.553 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131789969 1163048024 /nfs/dbraw/zinc/04/80/24/1163048024.db2.gz CDEOAXCNSJLKER-HNNXBMFYSA-N 2 0 279.428 1.533 20 30 CDEDRP C=CC[NH2+][C@H](CCNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001755551912 1160216253 /nfs/dbraw/zinc/21/62/53/1160216253.db2.gz POTALRPXAJCEPJ-OAHLLOKOSA-N 2 0 281.444 1.635 20 30 CDEDRP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001108421092 1161992204 /nfs/dbraw/zinc/99/22/04/1161992204.db2.gz GUTCYBKCRORNPQ-INIZCTEOSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132426396 1163282485 /nfs/dbraw/zinc/28/24/85/1163282485.db2.gz WZMOWKBHBHRUBU-CABCVRRESA-N 2 0 297.443 1.110 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133090163 1163567433 /nfs/dbraw/zinc/56/74/33/1163567433.db2.gz CZGOSHYEGLEINB-KBPBESRZSA-N 2 0 267.417 1.198 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773105 1164104605 /nfs/dbraw/zinc/10/46/05/1164104605.db2.gz LDLYVFZHXWGFHO-KBPBESRZSA-N 2 0 281.444 1.613 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001184574913 1164359445 /nfs/dbraw/zinc/35/94/45/1164359445.db2.gz AGYKWCGJMOVUQA-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001114414521 1164920831 /nfs/dbraw/zinc/92/08/31/1164920831.db2.gz WSAKHEHKVUCXOA-QLPKVWCKSA-N 2 0 291.439 1.483 20 30 CDEDRP C#CCC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001566665255 1168378635 /nfs/dbraw/zinc/37/86/35/1168378635.db2.gz PAPYHEACGXEIRV-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C#C[C@H]([NH2+]Cc1ccc(N2CC[NH2+]CC2)o1)C(C)C ZINC001574505389 1170988548 /nfs/dbraw/zinc/98/85/48/1170988548.db2.gz RSJWPKYKDHYRIQ-AWEZNQCLSA-N 2 0 261.369 1.437 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001752484711 1184870097 /nfs/dbraw/zinc/87/00/97/1184870097.db2.gz QWTKVPSZMFQQIS-ZBFHGGJFSA-N 2 0 293.455 1.779 20 30 CDEDRP CN(CC[NH2+]CC#Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001753260848 1185135382 /nfs/dbraw/zinc/13/53/82/1185135382.db2.gz YPHZUPLVXZAUOV-QGZVFWFLSA-N 2 0 299.418 1.038 20 30 CDEDRP CC#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001754084482 1185453762 /nfs/dbraw/zinc/45/37/62/1185453762.db2.gz HFNICYCMMQXAQV-HNNXBMFYSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001754138743 1185480391 /nfs/dbraw/zinc/48/03/91/1185480391.db2.gz VZZMEWPQSRHWJJ-NWRQEBOHSA-N 2 0 277.412 1.451 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001754611199 1185683088 /nfs/dbraw/zinc/68/30/88/1185683088.db2.gz UFIYNNSIVJLCKP-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001754802442 1185734787 /nfs/dbraw/zinc/73/47/87/1185734787.db2.gz BPHMZPUJWLZATL-CVEARBPZSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001754960568 1185769632 /nfs/dbraw/zinc/76/96/32/1185769632.db2.gz OCLQHMKTWFKCDL-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP CC#CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001754962508 1185769781 /nfs/dbraw/zinc/76/97/81/1185769781.db2.gz DSVRJBFZKGJPLL-UHFFFAOYSA-N 2 0 291.439 1.276 20 30 CDEDRP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001755285691 1185890655 /nfs/dbraw/zinc/89/06/55/1185890655.db2.gz LVFIGFBKPVDWSF-UHFFFAOYSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001755662771 1186028568 /nfs/dbraw/zinc/02/85/68/1186028568.db2.gz HAIRPXNXRMWCSC-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001755735662 1186052830 /nfs/dbraw/zinc/05/28/30/1186052830.db2.gz LMNOFZHFYFCTBQ-LSDHHAIUSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CC[N@@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001755813715 1186075858 /nfs/dbraw/zinc/07/58/58/1186075858.db2.gz YCAJQHPKWASUEG-HUUCEWRRSA-N 2 0 281.444 1.681 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134772373 1164102624 /nfs/dbraw/zinc/10/26/24/1164102624.db2.gz COXNGOYDEBEMNW-CHWSQXEVSA-N 2 0 269.433 1.776 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001832871 711882995 /nfs/dbraw/zinc/88/29/95/711882995.db2.gz IODLVHVDDJIZKU-GDBMZVCRSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CCOCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000815107500 711894667 /nfs/dbraw/zinc/89/46/67/711894667.db2.gz PFTQRSCOINTRTI-UHFFFAOYSA-N 2 0 252.402 1.997 20 30 CDEDRP C#CCOCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000852007691 711911120 /nfs/dbraw/zinc/91/11/20/711911120.db2.gz QFXOEQXAIDKSOE-UHFFFAOYSA-N 2 0 250.386 1.444 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1cnc(Cl)n1C ZINC000883131144 711991683 /nfs/dbraw/zinc/99/16/83/711991683.db2.gz JLNVFOFLYJKJDC-UHFFFAOYSA-N 2 0 254.765 1.118 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001050545397 712032281 /nfs/dbraw/zinc/03/22/81/712032281.db2.gz DRHJTGZVOBPKNU-HNNXBMFYSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnc[nH]1 ZINC001017997411 712036133 /nfs/dbraw/zinc/03/61/33/712036133.db2.gz BXZPLOZBUPENFB-OKILXGFUSA-N 2 0 274.368 1.204 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C#N)cn1 ZINC000849020834 712044417 /nfs/dbraw/zinc/04/44/17/712044417.db2.gz NJQOUBCWLBGXRS-AWEZNQCLSA-N 2 0 286.383 1.052 20 30 CDEDRP CCCCCCNC(=[NH2+])NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000303769116 712046553 /nfs/dbraw/zinc/04/65/53/712046553.db2.gz AUTDYJPSIILFAA-HUUCEWRRSA-N 2 0 298.475 1.970 20 30 CDEDRP C#CCN1CCC[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000923575068 712051423 /nfs/dbraw/zinc/05/14/23/712051423.db2.gz BTUKCOYYQRXDFN-KFWWJZLASA-N 2 0 277.412 1.073 20 30 CDEDRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000923296482 712069356 /nfs/dbraw/zinc/06/93/56/712069356.db2.gz SXMUVQQEWLEWDC-GJZGRUSLSA-N 2 0 261.369 1.555 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1Cc2ccccc21 ZINC000303902114 712116040 /nfs/dbraw/zinc/11/60/40/712116040.db2.gz XQGDNLMOEAMKGL-CABCVRRESA-N 2 0 286.423 1.715 20 30 CDEDRP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001024448463 712117977 /nfs/dbraw/zinc/11/79/77/712117977.db2.gz OBVVYNPCHCUBDN-OWCLPIDISA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001005998875 712144617 /nfs/dbraw/zinc/14/46/17/712144617.db2.gz VNALGFRQLPUEBP-HOCLYGCPSA-N 2 0 291.439 1.130 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995549813 712175566 /nfs/dbraw/zinc/17/55/66/712175566.db2.gz FOWANYSMSRGVOJ-STQMWFEESA-N 2 0 265.401 1.093 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000989190685 712191076 /nfs/dbraw/zinc/19/10/76/712191076.db2.gz XBNLWUXPFDTSPP-TZMCWYRMSA-N 2 0 282.347 1.160 20 30 CDEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001026139786 712194391 /nfs/dbraw/zinc/19/43/91/712194391.db2.gz SRNTXFWEVZDQMZ-RFBLXINOSA-N 2 0 291.439 1.339 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001050543837 712204296 /nfs/dbraw/zinc/20/42/96/712204296.db2.gz MOCVVEANJQIXMK-UHFFFAOYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001019383093 712217154 /nfs/dbraw/zinc/21/71/54/712217154.db2.gz VUHXJDVRPWWCQO-YPMHNXCESA-N 2 0 285.819 1.271 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052766966 712276041 /nfs/dbraw/zinc/27/60/41/712276041.db2.gz QRGNLJWJAYJKLQ-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999189852 712298416 /nfs/dbraw/zinc/29/84/16/712298416.db2.gz NVEMEPZCGSQSEH-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001007534682 712308299 /nfs/dbraw/zinc/30/82/99/712308299.db2.gz MAORYDFJBVCLEF-BFHYXJOUSA-N 2 0 288.395 1.670 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000996861081 712333681 /nfs/dbraw/zinc/33/36/81/712333681.db2.gz YPOAABRJOXXEDE-MRXNPFEDSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CCCC)CC1 ZINC001039042549 712335442 /nfs/dbraw/zinc/33/54/42/712335442.db2.gz SRGWBXOKWBLERU-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049726046 712338348 /nfs/dbraw/zinc/33/83/48/712338348.db2.gz BMHHUNCGVLSYHV-HRCADAONSA-N 2 0 291.439 1.415 20 30 CDEDRP C#CCCN1CC(N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001044331283 712373062 /nfs/dbraw/zinc/37/30/62/712373062.db2.gz NSVDRNOVBYFCSJ-UHFFFAOYSA-N 2 0 299.418 1.528 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001016828920 712373158 /nfs/dbraw/zinc/37/31/58/712373158.db2.gz JRHZJHLIOKUWKS-LSDHHAIUSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000999709472 712386584 /nfs/dbraw/zinc/38/65/84/712386584.db2.gz VDLJDPBDJLYMDB-CQSZACIVSA-N 2 0 282.347 1.162 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000996243005 712399714 /nfs/dbraw/zinc/39/97/14/712399714.db2.gz BLZDKAFUDXZHNR-ZIAGYGMSSA-N 2 0 281.444 1.585 20 30 CDEDRP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000997949914 712405222 /nfs/dbraw/zinc/40/52/22/712405222.db2.gz QBNWALMVJODIRQ-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2ncc[nH]2)[C@@H](C)C1 ZINC001044790896 712417634 /nfs/dbraw/zinc/41/76/34/712417634.db2.gz DPDMCSBHUPMPAJ-NWDGAFQWSA-N 2 0 262.357 1.107 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001016332266 712429604 /nfs/dbraw/zinc/42/96/04/712429604.db2.gz QOIDEMFYXRFGJQ-QGZVFWFLSA-N 2 0 299.418 1.576 20 30 CDEDRP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046377064 712521031 /nfs/dbraw/zinc/52/10/31/712521031.db2.gz ZVAHQGPTXGUHTF-DOTOQJQBSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(Cl)CN1CC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001033415571 712685980 /nfs/dbraw/zinc/68/59/80/712685980.db2.gz JJNCOYOCBMNRGJ-UONOGXRCSA-N 2 0 299.846 1.756 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001036094126 712705669 /nfs/dbraw/zinc/70/56/69/712705669.db2.gz OVOUJQFTQWKBSJ-CZUORRHYSA-N 2 0 296.374 1.408 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242537 712726955 /nfs/dbraw/zinc/72/69/55/712726955.db2.gz IVPGWYQYCBZFSR-HRCADAONSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049729454 712744909 /nfs/dbraw/zinc/74/49/09/712744909.db2.gz VRVJEPJPMYDKNI-KKUMJFAQSA-N 2 0 277.412 1.025 20 30 CDEDRP C#CCN1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001015972174 712763703 /nfs/dbraw/zinc/76/37/03/712763703.db2.gz HKVIDKCZPXHUMQ-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135706115 1164169160 /nfs/dbraw/zinc/16/91/60/1164169160.db2.gz PBDQNGGHCSXHQR-KBPBESRZSA-N 2 0 269.433 1.777 20 30 CDEDRP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049729105 1166961250 /nfs/dbraw/zinc/96/12/50/1166961250.db2.gz URKYDJGFTGGNTK-HRCADAONSA-N 2 0 291.439 1.415 20 30 CDEDRP C#CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CC[C@@H](C)C3)CCC[C@H]12 ZINC000992193261 912807759 /nfs/dbraw/zinc/80/77/59/912807759.db2.gz VAKMZJQOQUKJHO-HLLBOEOZSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001175054681 913444427 /nfs/dbraw/zinc/44/44/27/913444427.db2.gz ARYMWPKNEDODAA-ZDUSSCGKSA-N 2 0 255.406 1.389 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001167261041 894989345 /nfs/dbraw/zinc/98/93/45/894989345.db2.gz USVDCYCXDCCFIT-AWEZNQCLSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)COCC[NH+](C)C ZINC001176164935 913988726 /nfs/dbraw/zinc/98/87/26/913988726.db2.gz FWVZVYROMIYIJS-HNNXBMFYSA-N 2 0 299.459 1.405 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106593960 914052419 /nfs/dbraw/zinc/05/24/19/914052419.db2.gz LXGCWCNUCQHISZ-HUUCEWRRSA-N 2 0 293.455 1.588 20 30 CDEDRP CC[C@@H]1CN(C(NC[C@@H](C2CC2)[NH+](C)C)=[NH+]C)CCS1 ZINC000261998225 896527081 /nfs/dbraw/zinc/52/70/81/896527081.db2.gz TWWTZWGNFBYEKL-KGLIPLIRSA-N 2 0 298.500 1.729 20 30 CDEDRP C=CC[N@@H+](CCOC)Cc1cccc2c1CC[NH2+]C2 ZINC000234695699 896564411 /nfs/dbraw/zinc/56/44/11/896564411.db2.gz ZFQRORHTHLFATM-UHFFFAOYSA-N 2 0 260.381 1.967 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001022807503 896985121 /nfs/dbraw/zinc/98/51/21/896985121.db2.gz IPESXCMMQKZVGB-KFWWJZLASA-N 2 0 279.428 1.674 20 30 CDEDRP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001028762166 904000056 /nfs/dbraw/zinc/00/00/56/904000056.db2.gz HFKDWGUULMMPBQ-ZNMIVQPWSA-N 2 0 279.428 1.341 20 30 CDEDRP [NH2+]=C(NCC[NH+]1CCCCCC1)NCC1CCC1 ZINC000262023998 904829159 /nfs/dbraw/zinc/82/91/59/904829159.db2.gz YXORGLDRAXNWSQ-UHFFFAOYSA-N 2 0 252.406 1.567 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168030341 905936327 /nfs/dbraw/zinc/93/63/27/905936327.db2.gz NLPGPHHIMWNUJM-CABCVRRESA-N 2 0 279.428 1.675 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001088109742 906326960 /nfs/dbraw/zinc/32/69/60/906326960.db2.gz WQFOELFNYNJMKY-PMPSAXMXSA-N 2 0 291.439 1.130 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000988957985 908625847 /nfs/dbraw/zinc/62/58/47/908625847.db2.gz HIMXDVWCYMTRQW-CHWSQXEVSA-N 2 0 265.401 1.236 20 30 CDEDRP C#CCCN1CCC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1=O ZINC001168304751 908948886 /nfs/dbraw/zinc/94/88/86/908948886.db2.gz CHRIDXQZTYEKPH-GPANFISMSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H]1C ZINC001088692868 908968754 /nfs/dbraw/zinc/96/87/54/908968754.db2.gz BBFCKMXQOVUQCX-OWCLPIDISA-N 2 0 293.455 1.872 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001224476290 909634389 /nfs/dbraw/zinc/63/43/89/909634389.db2.gz ANYJLULHLBGCRD-INIZCTEOSA-N 2 0 293.455 1.568 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003977908 921543136 /nfs/dbraw/zinc/54/31/36/921543136.db2.gz ZHIVMTNPHXVHKJ-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001178902382 915682901 /nfs/dbraw/zinc/68/29/01/915682901.db2.gz OJRQDVBXGYZFGD-ZFWWWQNUSA-N 2 0 279.428 1.626 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001179580847 915907100 /nfs/dbraw/zinc/90/71/00/915907100.db2.gz SMAOAPBGFWPOQC-INIZCTEOSA-N 2 0 293.455 1.760 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)CCCn2ccnc2)[C@H]1C ZINC001180280403 916252802 /nfs/dbraw/zinc/25/28/02/916252802.db2.gz ZHJLRSQJAKPZLR-GJZGRUSLSA-N 2 0 288.395 1.266 20 30 CDEDRP CC(C)[NH+](CCNC(=[NH2+])NCC1CCC1)C(C)C ZINC000303706538 935041199 /nfs/dbraw/zinc/04/11/99/935041199.db2.gz LQQWJIXILXLZFX-UHFFFAOYSA-N 2 0 254.422 1.810 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)c2cccc3nccn32)C1 ZINC001031844359 916473509 /nfs/dbraw/zinc/47/35/09/916473509.db2.gz LVRYISZNZNJLOU-UHFFFAOYSA-N 2 0 284.363 1.572 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001180899486 916709363 /nfs/dbraw/zinc/70/93/63/916709363.db2.gz MVCFOBWZXMELKZ-IJEWVQPXSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052766967 936400462 /nfs/dbraw/zinc/40/04/62/936400462.db2.gz QRGNLJWJAYJKLQ-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001052898573 936404979 /nfs/dbraw/zinc/40/49/79/936404979.db2.gz DQTBYIUXGAKYQK-WBVHZDCISA-N 2 0 291.439 1.629 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001054735751 936469598 /nfs/dbraw/zinc/46/95/98/936469598.db2.gz KEAYGOZRPLUFJP-QWHCGFSZSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CC1(C)C ZINC000996299747 918244385 /nfs/dbraw/zinc/24/43/85/918244385.db2.gz DNFYNPYRGZVXEU-KGLIPLIRSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996518711 918280105 /nfs/dbraw/zinc/28/01/05/918280105.db2.gz GKKRNSIGTXOMJV-CQSZACIVSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001183399486 918473097 /nfs/dbraw/zinc/47/30/97/918473097.db2.gz XSRQKNCTPUEHRX-NVXWUHKLSA-N 2 0 293.455 1.733 20 30 CDEDRP N#Cc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1F ZINC001205221726 919183183 /nfs/dbraw/zinc/18/31/83/919183183.db2.gz XGLSMGHOUVBPJB-OAHLLOKOSA-N 2 0 277.343 1.373 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185230415 919489082 /nfs/dbraw/zinc/48/90/82/919489082.db2.gz QUWQIIDOWQGCHP-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001185761390 919745179 /nfs/dbraw/zinc/74/51/79/919745179.db2.gz GVVJPIDFJLNKDQ-LSDHHAIUSA-N 2 0 281.444 1.587 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000999431167 919754441 /nfs/dbraw/zinc/75/44/41/919754441.db2.gz BGAMOGQTIPMQLU-KBPBESRZSA-N 2 0 267.417 1.339 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000999502568 919763687 /nfs/dbraw/zinc/76/36/87/919763687.db2.gz KKHGXPYSAVNGOF-FHERZECASA-N 2 0 291.439 1.463 20 30 CDEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000999690471 919780815 /nfs/dbraw/zinc/78/08/15/919780815.db2.gz YTQRGUMCCNGHAN-WLYUNCDWSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001186411706 920017193 /nfs/dbraw/zinc/01/71/93/920017193.db2.gz FQFRYSIXTJXZET-OAHLLOKOSA-N 2 0 279.428 1.322 20 30 CDEDRP C#CC[N@@H+](C)Cc1cccc(OCCN2CCOCC2)c1 ZINC001139762915 936645083 /nfs/dbraw/zinc/64/50/83/936645083.db2.gz ALPRRRYYOJLCMD-UHFFFAOYSA-N 2 0 288.391 1.463 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187841550 920679938 /nfs/dbraw/zinc/67/99/38/920679938.db2.gz DTGIKXYVHBRENW-CQSZACIVSA-N 2 0 265.401 1.239 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001188139911 920855996 /nfs/dbraw/zinc/85/59/96/920855996.db2.gz VDSCTKMSZDGPGE-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001188158190 920907139 /nfs/dbraw/zinc/90/71/39/920907139.db2.gz GNFDXHZVGXPWIX-CQSZACIVSA-N 2 0 267.417 1.483 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071995840 936696094 /nfs/dbraw/zinc/69/60/94/936696094.db2.gz NZWQZCPVKZDSAK-CABCVRRESA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072081745 936698594 /nfs/dbraw/zinc/69/85/94/936698594.db2.gz RJFZYIYJRZRUCD-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033198735 922044860 /nfs/dbraw/zinc/04/48/60/922044860.db2.gz NAWBHEXHNBNJPM-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190744602 922169817 /nfs/dbraw/zinc/16/98/17/922169817.db2.gz SKGSTYISENETNQ-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190744601 922171351 /nfs/dbraw/zinc/17/13/51/922171351.db2.gz SKGSTYISENETNQ-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001074661825 936739470 /nfs/dbraw/zinc/73/94/70/936739470.db2.gz NCQVCFSOJQDQEC-BARDWOONSA-N 2 0 279.428 1.482 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033940215 922432877 /nfs/dbraw/zinc/43/28/77/922432877.db2.gz FXDCLBFNOHPSNS-MRXNPFEDSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001034277107 922576329 /nfs/dbraw/zinc/57/63/29/922576329.db2.gz NKKRHMWRMDAZPD-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203102678 936829618 /nfs/dbraw/zinc/82/96/18/936829618.db2.gz IWKYDIOWRPFOSR-UONOGXRCSA-N 2 0 293.455 1.920 20 30 CDEDRP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001079848524 924441760 /nfs/dbraw/zinc/44/17/60/924441760.db2.gz AGJVNCIFPQAVTD-BZUAXINKSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001082699758 924984288 /nfs/dbraw/zinc/98/42/88/924984288.db2.gz WHUSQKWSNLUOEV-OWCLPIDISA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084422158 925249921 /nfs/dbraw/zinc/24/99/21/925249921.db2.gz NWSPHFMUNZSFCK-OWCLPIDISA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001084448377 925256398 /nfs/dbraw/zinc/25/63/98/925256398.db2.gz VBEYQCBFQWEMBW-MGPQQGTHSA-N 2 0 265.401 1.045 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@H]21 ZINC001084973312 925531195 /nfs/dbraw/zinc/53/11/95/925531195.db2.gz GVPMUCQEWZEUHI-OAGGEKHMSA-N 2 0 291.439 1.580 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001085152489 925692087 /nfs/dbraw/zinc/69/20/87/925692087.db2.gz GTPMEKLHKFDLPH-RBSFLKMASA-N 2 0 279.428 1.674 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102046089 937038726 /nfs/dbraw/zinc/03/87/26/937038726.db2.gz MDVOSBYUQXWIGI-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001085782711 926389907 /nfs/dbraw/zinc/38/99/07/926389907.db2.gz BOMHLTCLESJLQT-JYJNAYRXSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CCN1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085901432 926488091 /nfs/dbraw/zinc/48/80/91/926488091.db2.gz FMDKOGHXGJJSRY-MRXNPFEDSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927626 926513458 /nfs/dbraw/zinc/51/34/58/926513458.db2.gz BXRWFVRCVYJNAF-CQSZACIVSA-N 2 0 277.412 1.191 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001086119369 926723613 /nfs/dbraw/zinc/72/36/13/926723613.db2.gz KXKNBDCLJMAUDQ-FZKCQIBNSA-N 2 0 291.439 1.674 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001086221322 926852552 /nfs/dbraw/zinc/85/25/52/926852552.db2.gz OSZWRIPNXZTARJ-FZKCQIBNSA-N 2 0 291.439 1.674 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086370960 927041344 /nfs/dbraw/zinc/04/13/44/927041344.db2.gz IRKHEBAACGBRQK-AAVRWANBSA-N 2 0 299.846 1.564 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001103443916 937141950 /nfs/dbraw/zinc/14/19/50/937141950.db2.gz RIRNXPIHOHLXFC-OAGGEKHMSA-N 2 0 293.455 1.424 20 30 CDEDRP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001103612457 937148895 /nfs/dbraw/zinc/14/88/95/937148895.db2.gz DOLQMZUWVOPQRL-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129340036 928244408 /nfs/dbraw/zinc/24/44/08/928244408.db2.gz JOXNVDOVYPREOM-CYBMUJFWSA-N 2 0 287.835 1.423 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001252489916 928722808 /nfs/dbraw/zinc/72/28/08/928722808.db2.gz ANVPGQILZQVFBQ-KRWDZBQOSA-N 2 0 296.455 1.937 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109427213 928932076 /nfs/dbraw/zinc/93/20/76/928932076.db2.gz TXZUXFFVAFXFND-UGUYLWEFSA-N 2 0 291.439 1.317 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(CC)C2CC[NH+](C)CC2)CC1 ZINC000861894883 929350314 /nfs/dbraw/zinc/35/03/14/929350314.db2.gz MEMLJZZENJTZJP-UHFFFAOYSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135095199 930048789 /nfs/dbraw/zinc/04/87/89/930048789.db2.gz AFFZWBRECRJSFJ-HUUCEWRRSA-N 2 0 279.428 1.675 20 30 CDEDRP CC[NH+](CC)C[C@@H](O)C[NH2+]CCc1ccc(C#N)cc1 ZINC001253207034 930085939 /nfs/dbraw/zinc/08/59/39/930085939.db2.gz XGQQHEJNSJJIQG-INIZCTEOSA-N 2 0 275.396 1.393 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135308038 930140281 /nfs/dbraw/zinc/14/02/81/930140281.db2.gz NDTXIGZXKXSOHE-STQMWFEESA-N 2 0 289.851 1.954 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1cn(C(C)C)nc1C ZINC000883131271 930147247 /nfs/dbraw/zinc/14/72/47/930147247.db2.gz TUXIDINZXNTRNW-UHFFFAOYSA-N 2 0 262.401 1.817 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135379584 930178001 /nfs/dbraw/zinc/17/80/01/930178001.db2.gz RHYZFKARSIGVQU-KGLIPLIRSA-N 2 0 279.428 1.224 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135608274 930290565 /nfs/dbraw/zinc/29/05/65/930290565.db2.gz IBYSUKBTUAXRRV-ZIAGYGMSSA-N 2 0 279.428 1.224 20 30 CDEDRP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135955668 930563609 /nfs/dbraw/zinc/56/36/09/930563609.db2.gz LOZPVYUIOQALRP-CABCVRRESA-N 2 0 293.455 1.921 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135974308 930585751 /nfs/dbraw/zinc/58/57/51/930585751.db2.gz MNRQDIUMLIPCER-KGLIPLIRSA-N 2 0 267.417 1.224 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135977247 930587699 /nfs/dbraw/zinc/58/76/99/930587699.db2.gz QSOUMCSUJIZTPU-GJZGRUSLSA-N 2 0 281.444 1.615 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153388184 937443598 /nfs/dbraw/zinc/44/35/98/937443598.db2.gz VESIFDPQJOPFIS-HIFRSBDPSA-N 2 0 279.428 1.341 20 30 CDEDRP C[NH+](C)CC1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000885959086 930778131 /nfs/dbraw/zinc/77/81/31/930778131.db2.gz SBHXXGYXJWEYFS-OAHLLOKOSA-N 2 0 279.428 1.705 20 30 CDEDRP C=CCCC[NH+]1CCC2(CC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001274962710 931616530 /nfs/dbraw/zinc/61/65/30/931616530.db2.gz SKMGXBGYXNEYOI-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001091122625 931835131 /nfs/dbraw/zinc/83/51/31/931835131.db2.gz LVAXDJJGYRHZME-UHFFFAOYSA-N 2 0 284.363 1.618 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146535706 932262456 /nfs/dbraw/zinc/26/24/56/932262456.db2.gz MVIVHASIRHFWIT-LSDHHAIUSA-N 2 0 279.428 1.369 20 30 CDEDRP C=C(Cl)CN1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148161030 932657986 /nfs/dbraw/zinc/65/79/86/932657986.db2.gz PZACQLLBWUPFPJ-UHFFFAOYSA-N 2 0 299.846 1.615 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091683245 932658217 /nfs/dbraw/zinc/65/82/17/932658217.db2.gz KKTOVXRDYLOOEI-ANQUJSFKSA-N 2 0 291.439 1.293 20 30 CDEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210555 932666678 /nfs/dbraw/zinc/66/66/78/932666678.db2.gz QCAIGFOCPDHPTH-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148360505 932700161 /nfs/dbraw/zinc/70/01/61/932700161.db2.gz WEQKBGDNKWIOCK-CQSZACIVSA-N 2 0 269.433 1.779 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCCC1CC[NH+](CC)CC1 ZINC000304749120 935086221 /nfs/dbraw/zinc/08/62/21/935086221.db2.gz HNSSLRZZRLTQND-UHFFFAOYSA-N 2 0 252.406 1.589 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH+](C)C1CCCC1 ZINC000304759128 935087524 /nfs/dbraw/zinc/08/75/24/935087524.db2.gz QUPGJMVCLQJHMK-OAHLLOKOSA-N 3 0 295.475 1.249 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CC ZINC001037980198 935323373 /nfs/dbraw/zinc/32/33/73/935323373.db2.gz XBUXYLLBAYVXFA-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001009200835 935420675 /nfs/dbraw/zinc/42/06/75/935420675.db2.gz HJOLGTRGCZMSBI-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC(C)C)CC1 ZINC001039042361 935767321 /nfs/dbraw/zinc/76/73/21/935767321.db2.gz QMVSJDNLEVNZPX-INIZCTEOSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001041410289 935798000 /nfs/dbraw/zinc/79/80/00/935798000.db2.gz XJALPCTUGZJKLC-RDJZCZTQSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C1CCC1 ZINC001049515215 936152758 /nfs/dbraw/zinc/15/27/58/936152758.db2.gz MJSDYGQZRSQYOF-HZPDHXFCSA-N 2 0 289.423 1.169 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC001121938090 937892471 /nfs/dbraw/zinc/89/24/71/937892471.db2.gz RLEGJMIHTJABFB-UPJWGTAASA-N 2 0 253.390 1.256 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001158486675 938629331 /nfs/dbraw/zinc/62/93/31/938629331.db2.gz GSNDRUAZQLEJGF-CABCVRRESA-N 2 0 281.444 1.826 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159853478 938757382 /nfs/dbraw/zinc/75/73/82/938757382.db2.gz FPYVVRYYJPRSSO-CQSZACIVSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1CCC(C[NH2+]C)CC1 ZINC001160457076 938788391 /nfs/dbraw/zinc/78/83/91/938788391.db2.gz WYMVNDGBIGKVQT-HNNXBMFYSA-N 2 0 281.444 1.908 20 30 CDEDRP N#Cc1ncc(Cl)nc1-n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001160945860 938847938 /nfs/dbraw/zinc/84/79/38/938847938.db2.gz PTGZBJDVXXKSDK-UHFFFAOYSA-N 2 0 298.737 1.842 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001214780232 939062100 /nfs/dbraw/zinc/06/21/00/939062100.db2.gz QODZUQQVPJDXQL-OAGGEKHMSA-N 2 0 293.455 1.873 20 30 CDEDRP C#C[C@H](C)Nc1cc(OC2CC[NH+](C)CC2)cc[nH+]1 ZINC001163161096 939216826 /nfs/dbraw/zinc/21/68/26/939216826.db2.gz BWYCEJAGRMXAMD-LBPRGKRZSA-N 2 0 259.353 1.988 20 30 CDEDRP C[NH+](C)CCC(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001165794656 939577873 /nfs/dbraw/zinc/57/78/73/939577873.db2.gz ZXKIYXBVDZPNAA-UHFFFAOYSA-N 2 0 294.424 1.167 20 30 CDEDRP C=CCN(CC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1)C(=O)OCC ZINC001205599956 939907903 /nfs/dbraw/zinc/90/79/03/939907903.db2.gz ATCSYOBGQQQEAL-CABCVRRESA-N 2 0 297.443 1.938 20 30 CDEDRP C[C@@H]1CC[N@H+](Cc2cncc(C#N)c2)CC[C@@H]1C[NH3+] ZINC001205625942 939910038 /nfs/dbraw/zinc/91/00/38/939910038.db2.gz CRXBVEDDGIXMEI-IUODEOHRSA-N 2 0 258.369 1.760 20 30 CDEDRP C=CCc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205953272 939960173 /nfs/dbraw/zinc/96/01/73/939960173.db2.gz QZADVPNRNXQOLS-ZIAGYGMSSA-N 2 0 262.353 1.015 20 30 CDEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206929055 940114023 /nfs/dbraw/zinc/11/40/23/940114023.db2.gz SKBITXPGYUKHCX-MRXNPFEDSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001208261759 940314052 /nfs/dbraw/zinc/31/40/52/940314052.db2.gz ROZJQLCWLMOWAD-GJZGRUSLSA-N 2 0 299.434 1.823 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208435252 940331020 /nfs/dbraw/zinc/33/10/20/940331020.db2.gz YRNQVRYLMRLHQU-ZIAGYGMSSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCCC[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001209162987 940441787 /nfs/dbraw/zinc/44/17/87/940441787.db2.gz RPUHVYFYLNQFGP-UHFFFAOYSA-N 2 0 279.428 1.614 20 30 CDEDRP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001209161063 940442064 /nfs/dbraw/zinc/44/20/64/940442064.db2.gz GEWMMIPXPPEUNV-CABCVRRESA-N 2 0 251.418 1.663 20 30 CDEDRP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210040144 940658561 /nfs/dbraw/zinc/65/85/61/940658561.db2.gz BRUPNXCTOKBQMI-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP Cc1nc(C#N)ccc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210263295 940676640 /nfs/dbraw/zinc/67/66/40/940676640.db2.gz WNRJSCNVDMGZLH-UHFFFAOYSA-N 2 0 294.362 1.810 20 30 CDEDRP N#Cc1sccc1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001218624979 941246869 /nfs/dbraw/zinc/24/68/69/941246869.db2.gz QRDJSWZWEXYRAN-VIFPVBQESA-N 2 0 266.370 1.405 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=[NH2+])Nc1ccccc1C ZINC001330027912 941504007 /nfs/dbraw/zinc/50/40/07/941504007.db2.gz RWBPINJMYZELRT-UHFFFAOYSA-N 2 0 258.369 1.886 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430104 941677197 /nfs/dbraw/zinc/67/71/97/941677197.db2.gz GSEKKRKKPZRQIA-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001223977732 941710745 /nfs/dbraw/zinc/71/07/45/941710745.db2.gz JUGQVZDQSWNXMZ-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001224576298 941772702 /nfs/dbraw/zinc/77/27/02/941772702.db2.gz KVYKDVBPNGMWBN-UHFFFAOYSA-N 2 0 295.471 1.979 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001225168390 941827894 /nfs/dbraw/zinc/82/78/94/941827894.db2.gz WCXPSTJWIJOGSO-MRXNPFEDSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001277686743 943336637 /nfs/dbraw/zinc/33/66/37/943336637.db2.gz QUHAQJDWRBLOSJ-UKRRQHHQSA-N 2 0 281.444 1.824 20 30 CDEDRP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001234402207 943825319 /nfs/dbraw/zinc/82/53/19/943825319.db2.gz JHEZUMCYBVHSAJ-OWCLPIDISA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[NH2+]CCN1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248453 944104397 /nfs/dbraw/zinc/10/43/97/944104397.db2.gz UIKRDKFCDLWWRD-QZTJIDSGSA-N 2 0 285.435 1.984 20 30 CDEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001235512920 944181830 /nfs/dbraw/zinc/18/18/30/944181830.db2.gz LWORUANNLHQCHM-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCCCC[N@@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001236037934 944387971 /nfs/dbraw/zinc/38/79/71/944387971.db2.gz MMVMOVKLZGKFAX-GDBMZVCRSA-N 2 0 280.412 1.817 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001265448350 944393299 /nfs/dbraw/zinc/39/32/99/944393299.db2.gz STNAAVNHYFAVQB-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C[NH+]1CCC(C[NH+]2CCN([C@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC001254675085 947590729 /nfs/dbraw/zinc/59/07/29/947590729.db2.gz DXTGHVSSLXEHMB-IRXDYDNUSA-N 2 0 290.455 1.638 20 30 CDEDRP CC[C@H](CC#N)[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001255162746 947759380 /nfs/dbraw/zinc/75/93/80/947759380.db2.gz YADMDMRAFFSAII-RBSFLKMASA-N 2 0 265.401 1.912 20 30 CDEDRP C=CCCCCCC[C@@H](O)CN(CC[NH3+])CC[NH3+] ZINC001246054541 947920098 /nfs/dbraw/zinc/92/00/98/947920098.db2.gz JTWQHDPTISBNHP-CQSZACIVSA-N 2 0 257.422 1.093 20 30 CDEDRP N#CC1CCC([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001246152465 947994304 /nfs/dbraw/zinc/99/43/04/947994304.db2.gz YYDVCYMCFXFRKF-YMAMQOFZSA-N 2 0 276.428 1.533 20 30 CDEDRP C=CCN1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1=O ZINC001255671628 948064654 /nfs/dbraw/zinc/06/46/54/948064654.db2.gz MMICWSVZYDMOTR-WTXIUTQJSA-N 2 0 291.439 1.768 20 30 CDEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001246309704 948097361 /nfs/dbraw/zinc/09/73/61/948097361.db2.gz WLCJMVYLEPKKRB-CABCVRRESA-N 2 0 297.443 1.287 20 30 CDEDRP N#Cc1ccccc1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246326246 948107157 /nfs/dbraw/zinc/10/71/57/948107157.db2.gz DVDXTHWIBJQXFH-YIONKMFJSA-N 2 0 271.364 1.810 20 30 CDEDRP N#Cc1ccc2c(c1)C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246594189 948330445 /nfs/dbraw/zinc/33/04/45/948330445.db2.gz PVRUILHVAJRKMJ-INIZCTEOSA-N 2 0 282.391 1.010 20 30 CDEDRP C[C@]1(C[NH3+])CCCC[N@@H+]([C@H]2CCN[C@H](C#N)C2)C1 ZINC001246597681 948334431 /nfs/dbraw/zinc/33/44/31/948334431.db2.gz YHXZREZEVRPNEB-MELADBBJSA-N 2 0 250.390 1.081 20 30 CDEDRP N#C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CCN1 ZINC001246604015 948337498 /nfs/dbraw/zinc/33/74/98/948337498.db2.gz MPHBPRYSFPZWEA-YESZJQIVSA-N 2 0 290.455 1.876 20 30 CDEDRP C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246770973 948430537 /nfs/dbraw/zinc/43/05/37/948430537.db2.gz UHPRWYYLQHHUAI-HNNXBMFYSA-N 2 0 270.380 1.084 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001252496918 951371760 /nfs/dbraw/zinc/37/17/60/951371760.db2.gz GDSRRUQCKYTYFQ-HZSPNIEDSA-N 2 0 256.390 1.012 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001493255474 955889237 /nfs/dbraw/zinc/88/92/37/955889237.db2.gz UQDLPHCYQGEJLN-LSDHHAIUSA-N 2 0 281.444 1.731 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1ccc(F)c(OC)c1 ZINC001330842037 956660560 /nfs/dbraw/zinc/66/05/60/956660560.db2.gz SEPWWRVOXCFLBQ-UHFFFAOYSA-N 2 0 264.344 1.879 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317161668 957313657 /nfs/dbraw/zinc/31/36/57/957313657.db2.gz JCTOSYMLCYJODS-GJZGRUSLSA-N 2 0 281.444 1.587 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](Cc1ccccc1)[NH2+]C ZINC001341027696 963243333 /nfs/dbraw/zinc/24/33/33/963243333.db2.gz KGJWQOBINGKUBD-JKSUJKDBSA-N 2 0 289.423 1.617 20 30 CDEDRP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001420965918 963390895 /nfs/dbraw/zinc/39/08/95/963390895.db2.gz WFLOWDUKBWHSNN-ZIAGYGMSSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC001341584459 963473375 /nfs/dbraw/zinc/47/33/75/963473375.db2.gz FPAMVKCOQOBOSK-STQMWFEESA-N 2 0 253.390 1.223 20 30 CDEDRP C#CC[NH2+]CC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001341586396 963473481 /nfs/dbraw/zinc/47/34/81/963473481.db2.gz PKMBPDVDGAEYBD-MRXNPFEDSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001341715290 963520867 /nfs/dbraw/zinc/52/08/67/963520867.db2.gz TYLYFNHZNOGFSM-CABCVRRESA-N 2 0 279.428 1.614 20 30 CDEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001479909622 965994525 /nfs/dbraw/zinc/99/45/25/965994525.db2.gz HHIXCDMTIRGWKY-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001002127334 967946917 /nfs/dbraw/zinc/94/69/17/967946917.db2.gz QWLCJYOWQPWTDN-MRXNPFEDSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001100382876 968180953 /nfs/dbraw/zinc/18/09/53/968180953.db2.gz AHAGRPVGCKRZFV-GPANFISMSA-N 2 0 291.439 1.369 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001100407685 968265057 /nfs/dbraw/zinc/26/50/57/968265057.db2.gz FKSPBNTVXHNKNJ-PESDSKBTSA-N 2 0 279.428 1.387 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001100674334 968924278 /nfs/dbraw/zinc/92/42/78/968924278.db2.gz ROAOJCAUMMIHSI-IYXRBSQSSA-N 2 0 299.846 1.708 20 30 CDEDRP C#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132509495 1163341335 /nfs/dbraw/zinc/34/13/35/1163341335.db2.gz WBZOUFRPDXRSIV-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001133178665 1163596846 /nfs/dbraw/zinc/59/68/46/1163596846.db2.gz VWXHWIYSOFVRHH-JKSUJKDBSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCN(C)CC[N@@H+](CC)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC001574920916 1171050481 /nfs/dbraw/zinc/05/04/81/1171050481.db2.gz MZKAUBASGIRNRC-HOTGVXAUSA-N 2 0 281.444 1.195 20 30 CDEDRP C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CCC[NH2+]1 ZINC000591570743 342637192 /nfs/dbraw/zinc/63/71/92/342637192.db2.gz HVQANTMPDLYBFG-BBRMVZONSA-N 2 0 299.422 1.652 20 30 CDEDRP N#C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000442784052 362090762 /nfs/dbraw/zinc/09/07/62/362090762.db2.gz SHKDPPZLVAVNBJ-ILXRZTDVSA-N 2 0 265.401 1.505 20 30 CDEDRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000596651447 343371243 /nfs/dbraw/zinc/37/12/43/343371243.db2.gz QFACYPZKYDDUQH-MAZHCROVSA-N 2 0 273.380 1.443 20 30 CDEDRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598713343 343880478 /nfs/dbraw/zinc/88/04/78/343880478.db2.gz BEZCYDZVLZNEBL-CQSZACIVSA-N 2 0 267.417 1.750 20 30 CDEDRP C[C@H](CCC#N)C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000602554252 344466204 /nfs/dbraw/zinc/46/62/04/344466204.db2.gz ZQTVMANESZWOLI-HUUCEWRRSA-N 2 0 267.417 1.753 20 30 CDEDRP C[C@H](CCC#N)C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000602554250 344466249 /nfs/dbraw/zinc/46/62/49/344466249.db2.gz ZQTVMANESZWOLI-CABCVRRESA-N 2 0 267.417 1.753 20 30 CDEDRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000447543644 362454412 /nfs/dbraw/zinc/45/44/12/362454412.db2.gz RTLKTQHLUQCEOD-QWHCGFSZSA-N 2 0 251.374 1.115 20 30 CDEDRP CN1CCC([N@@H+]2CC[C@H](Nc3cccc(C#N)n3)C2)CC1 ZINC000611117613 346612945 /nfs/dbraw/zinc/61/29/45/346612945.db2.gz QZMVBCAMMOLASR-AWEZNQCLSA-N 2 0 285.395 1.534 20 30 CDEDRP CCNC(=[NH2+])NCc1ccccc1C[N@H+](C)C(C)C ZINC000264137628 362976358 /nfs/dbraw/zinc/97/63/58/362976358.db2.gz VSBFJJVGMYMJNV-UHFFFAOYSA-N 2 0 262.401 1.951 20 30 CDEDRP CNC(=[NH2+])NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000264242013 363006579 /nfs/dbraw/zinc/00/65/79/363006579.db2.gz FJGDPMCVXWPFJU-UHFFFAOYSA-N 2 0 264.373 1.051 20 30 CDEDRP CCNC(NC[C@H](c1cccs1)N(C)C)=[NH+]CC ZINC000058166008 357381532 /nfs/dbraw/zinc/38/15/32/357381532.db2.gz DAIATYQGLZSONG-LLVKDONJSA-N 2 0 268.430 1.926 20 30 CDEDRP C=CCN1CC[C@H]([NH+]2CCC(CC[NH+](C)C)CC2)C1=O ZINC000337127263 359995513 /nfs/dbraw/zinc/99/55/13/359995513.db2.gz GOYKUTQEIMRVND-HNNXBMFYSA-N 2 0 279.428 1.437 20 30 CDEDRP CC1CCN(C(=[NH2+])NCC[NH+]2CCCCC2)CC1 ZINC000122480354 370818127 /nfs/dbraw/zinc/81/81/27/370818127.db2.gz WACKGPGDHKOUMA-UHFFFAOYSA-N 2 0 252.406 1.519 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000081731875 369991973 /nfs/dbraw/zinc/99/19/73/369991973.db2.gz HADNXPQQEJAOHP-CQSZACIVSA-N 2 0 293.455 1.424 20 30 CDEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](CCO)CC1)CC2 ZINC000353390952 375370470 /nfs/dbraw/zinc/37/04/70/375370470.db2.gz VWYFNRMITDGGPH-GOSISDBHSA-N 2 0 299.418 1.839 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000417543969 377931065 /nfs/dbraw/zinc/93/10/65/377931065.db2.gz VLYDEGHDYISJSP-ZFWWWQNUSA-N 2 0 294.443 1.454 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000417537598 377903431 /nfs/dbraw/zinc/90/34/31/377903431.db2.gz ZTWSOGQRRLSFFV-UHFFFAOYSA-N 2 0 294.443 1.598 20 30 CDEDRP C=CCC[C@@H](O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343719751 378944954 /nfs/dbraw/zinc/94/49/54/378944954.db2.gz LJRFQZJTEPMPEC-DOTOQJQBSA-N 2 0 295.471 1.414 20 30 CDEDRP C=CCOc1cccc(C[N@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000647493381 390969695 /nfs/dbraw/zinc/96/96/95/390969695.db2.gz KLYFRVJVVZXWKQ-UHFFFAOYSA-N 2 0 289.423 1.588 20 30 CDEDRP CC1CCN(C(=[NH2+])NC[C@H](C2CC2)[NH+](C)C)CC1 ZINC000303385998 391111924 /nfs/dbraw/zinc/11/19/24/391111924.db2.gz WFNCORVQAHGEKP-CYBMUJFWSA-N 2 0 252.406 1.373 20 30 CDEDRP CC[C@H](C)NC(=[NH2+])NCCN1CCc2sccc2C1 ZINC000261709473 391682725 /nfs/dbraw/zinc/68/27/25/391682725.db2.gz DLOPQUJFBHKAMR-NSHDSACASA-N 2 0 280.441 1.809 20 30 CDEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290897 414028543 /nfs/dbraw/zinc/02/85/43/414028543.db2.gz OBHJDAFZFZMZIQ-NXEZZACHSA-N 2 0 250.346 1.331 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC000521365875 260087370 /nfs/dbraw/zinc/08/73/70/260087370.db2.gz DHJSJYAUXUWLHC-LBPRGKRZSA-N 2 0 276.384 1.355 20 30 CDEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000333562036 228204537 /nfs/dbraw/zinc/20/45/37/228204537.db2.gz LCTLRSRZJIOKLK-CAEXGNQWSA-N 2 0 263.385 1.425 20 30 CDEDRP C#CCNC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000490604079 261166094 /nfs/dbraw/zinc/16/60/94/261166094.db2.gz HKQVSNJTPOIULT-CQSZACIVSA-N 2 0 279.428 1.177 20 30 CDEDRP CN(C)C(=[NH2+])NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000170906549 261448047 /nfs/dbraw/zinc/44/80/47/261448047.db2.gz DKXXKEAVCLVTEU-CQSZACIVSA-N 2 0 260.385 1.700 20 30 CDEDRP COCCNC(=[NH2+])NCc1ccccc1C[NH+]1CCCC1 ZINC000195522143 262251646 /nfs/dbraw/zinc/25/16/46/262251646.db2.gz NEYCMUKYRHCNPY-UHFFFAOYSA-N 2 0 290.411 1.333 20 30 CDEDRP C[C@@H]1C[N@H+](CCCNC(=[NH2+])Nc2ccccc2)CCCO1 ZINC000277294523 263040539 /nfs/dbraw/zinc/04/05/39/263040539.db2.gz KSCTXTASISDRSG-CQSZACIVSA-N 2 0 290.411 1.914 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)C(C)C ZINC000165202907 264210458 /nfs/dbraw/zinc/21/04/58/264210458.db2.gz DECRTHGWCBRROR-GDBMZVCRSA-N 2 0 297.418 1.503 20 30 CDEDRP C=CCCCC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000518903265 265202570 /nfs/dbraw/zinc/20/25/70/265202570.db2.gz UWKZLALKOQRYFO-UHFFFAOYSA-N 2 0 253.434 1.912 20 30 CDEDRP C=C(C)C[N@@H+](CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114562356 266395301 /nfs/dbraw/zinc/39/53/01/266395301.db2.gz DSFWDPOXFNHULE-UHFFFAOYSA-N 2 0 281.444 1.873 20 30 CDEDRP C[NH+]=C(NCc1cc(C)no1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261849398 328142526 /nfs/dbraw/zinc/14/25/26/328142526.db2.gz XTQXJZSETAOBKU-YGRLFVJLSA-N 2 0 291.399 1.131 20 30 CDEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072284 327146664 /nfs/dbraw/zinc/14/66/64/327146664.db2.gz HBWKQKHWGLIEAM-UHFFFAOYSA-N 2 0 295.427 1.017 20 30 CDEDRP C[C@@H]1CCC[C@@](C[NH+]=C(N(C)C)N(C)C)([NH+](C)C)C1 ZINC000261998736 329996084 /nfs/dbraw/zinc/99/60/84/329996084.db2.gz OPKGKHZTEDNXGS-UKRRQHHQSA-N 2 0 268.449 1.976 20 30 CDEDRP CSC1(CNC(=[NH2+])Nc2ccccn2)CC[NH+](C)CC1 ZINC000262363767 330010968 /nfs/dbraw/zinc/01/09/68/330010968.db2.gz JRCLWMLPAVMLTB-UHFFFAOYSA-N 2 0 293.440 1.636 20 30 CDEDRP C[NH2+]Cc1cccc(NC(=O)[C@H]([NH3+])CCCC#N)c1 ZINC000424056882 330218496 /nfs/dbraw/zinc/21/84/96/330218496.db2.gz IQGRGUZZMQIXHZ-CYBMUJFWSA-N 2 0 260.341 1.366 20 30 CDEDRP CC(C)[NH+](CCNC(=O)[C@H]([NH3+])CCCC#N)C(C)C ZINC000424137234 330274702 /nfs/dbraw/zinc/27/47/02/330274702.db2.gz OQMUXGSCKAWFKH-CYBMUJFWSA-N 2 0 268.405 1.243 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](CC)CC2)CC1 ZINC000490617579 332096277 /nfs/dbraw/zinc/09/62/77/332096277.db2.gz RFRYYROYAMKTEM-UHFFFAOYSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001754710822 1159438198 /nfs/dbraw/zinc/43/81/98/1159438198.db2.gz NJKNICHZEURGTG-WBVHZDCISA-N 2 0 293.455 1.733 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001008160373 1159599633 /nfs/dbraw/zinc/59/96/33/1159599633.db2.gz ACRXSYAJUUFSHT-OAHLLOKOSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCCC[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001755385684 1160124669 /nfs/dbraw/zinc/12/46/69/1160124669.db2.gz AYHPCDHMTJHALL-GJZGRUSLSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087908554 1160284691 /nfs/dbraw/zinc/28/46/91/1160284691.db2.gz GCJYISZLCWBJNZ-PMPSAXMXSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001752814539 1160498759 /nfs/dbraw/zinc/49/87/59/1160498759.db2.gz IPYNDWGZUMOJKN-MRXNPFEDSA-N 2 0 293.455 1.877 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ccnc(C#N)n1 ZINC000515671760 482789678 /nfs/dbraw/zinc/78/96/78/482789678.db2.gz WHIPMJNVZMCSRM-UHFFFAOYSA-N 2 0 290.415 1.058 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000353777315 526443084 /nfs/dbraw/zinc/44/30/84/526443084.db2.gz XQTGJNVIDULJKO-MRXNPFEDSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=S)NCC[NH+](C)C)CC1 ZINC000729942311 574831940 /nfs/dbraw/zinc/83/19/40/574831940.db2.gz JIDUKVABSFANLC-UHFFFAOYSA-N 2 0 284.473 1.053 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000764441080 575907311 /nfs/dbraw/zinc/90/73/11/575907311.db2.gz JZDMISISMLWTRA-INIZCTEOSA-N 2 0 289.423 1.832 20 30 CDEDRP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000981194692 612972911 /nfs/dbraw/zinc/97/29/11/612972911.db2.gz MODCNFDIANLHCI-GJZGRUSLSA-N 2 0 289.423 1.265 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000971640739 613092150 /nfs/dbraw/zinc/09/21/50/613092150.db2.gz HYHUJZNCKPEEFB-GJZGRUSLSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000945180119 613131587 /nfs/dbraw/zinc/13/15/87/613131587.db2.gz KQLUPDMSFVFMAU-HOCLYGCPSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)CC[NH+]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000981957301 613252122 /nfs/dbraw/zinc/25/21/22/613252122.db2.gz HLJRJLCSLWNZLX-MRXNPFEDSA-N 2 0 293.455 1.829 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000950491078 613257490 /nfs/dbraw/zinc/25/74/90/613257490.db2.gz ISYOIGVWGQMTJH-HNNXBMFYSA-N 2 0 279.428 1.581 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000948855140 613257791 /nfs/dbraw/zinc/25/77/91/613257791.db2.gz YQXRLWJLZFMVOT-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979054643 613278621 /nfs/dbraw/zinc/27/86/21/613278621.db2.gz VWMGDURZTQVAHD-FPCVCCKLSA-N 2 0 291.439 1.198 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978681613 613343667 /nfs/dbraw/zinc/34/36/67/613343667.db2.gz UVTFUPGTMSLOFA-PHZGNYQRSA-N 2 0 291.439 1.198 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC000961958922 613344470 /nfs/dbraw/zinc/34/44/70/613344470.db2.gz RJOSCQXEFXSNEC-QLPKVWCKSA-N 2 0 291.439 1.341 20 30 CDEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000970926743 613482580 /nfs/dbraw/zinc/48/25/80/613482580.db2.gz BIQFBBYQTNMGDL-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000970330097 613486237 /nfs/dbraw/zinc/48/62/37/613486237.db2.gz ZKDCPBDGCFWPMC-KKUMJFAQSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000981459320 613493746 /nfs/dbraw/zinc/49/37/46/613493746.db2.gz RAXXSQIMAPTDCC-HNNXBMFYSA-N 2 0 279.428 1.581 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947934264 613596187 /nfs/dbraw/zinc/59/61/87/613596187.db2.gz JWOBCHABAFALTF-CABCVRRESA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948053335 613781565 /nfs/dbraw/zinc/78/15/65/613781565.db2.gz OIHVQTYITFEAEC-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000977659791 613808278 /nfs/dbraw/zinc/80/82/78/613808278.db2.gz YCWKBCNGYZNVPK-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP Cc1cc(C#N)nc(NCCN(C)CCC[NH+](C)C)c1 ZINC000894521577 618934895 /nfs/dbraw/zinc/93/48/95/618934895.db2.gz QSROEVMQZFBEQW-UHFFFAOYSA-N 2 0 275.400 1.557 20 30 CDEDRP C#CC[NH2+]CC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000911763491 629480078 /nfs/dbraw/zinc/48/00/78/629480078.db2.gz HLUULSDDGMONSF-HNNXBMFYSA-N 2 0 273.380 1.149 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001130658928 1162688211 /nfs/dbraw/zinc/68/82/11/1162688211.db2.gz WQQUUESUDUPQCA-UHFFFAOYSA-N 2 0 286.379 1.928 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131372689 1162879029 /nfs/dbraw/zinc/87/90/29/1162879029.db2.gz RATPEMXHWBSZAB-UHFFFAOYSA-N 2 0 272.352 1.620 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086133207 1161961203 /nfs/dbraw/zinc/96/12/03/1161961203.db2.gz PAEPYDIDYNERDS-XHSDSOJGSA-N 2 0 293.455 1.777 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001113270978 1162142770 /nfs/dbraw/zinc/14/27/70/1162142770.db2.gz BNKXGBLJBAFNCT-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132376392 1163261444 /nfs/dbraw/zinc/26/14/44/1163261444.db2.gz MKHJGSIAALKCOJ-GJZGRUSLSA-N 2 0 279.428 1.321 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133819465 1163907306 /nfs/dbraw/zinc/90/73/06/1163907306.db2.gz CMIHFYVBLGPNAH-CYBMUJFWSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1CCC ZINC001574908353 1171045939 /nfs/dbraw/zinc/04/59/39/1171045939.db2.gz KSGSDFFCOSYMNO-KBPBESRZSA-N 2 0 267.417 1.661 20 30 CDEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001674204525 1173924780 /nfs/dbraw/zinc/92/47/80/1173924780.db2.gz YVCKBXVLDDOPJU-ZDUSSCGKSA-N 2 0 298.390 1.764 20 30 CDEDRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000217572647 1177639053 /nfs/dbraw/zinc/63/90/53/1177639053.db2.gz SDYGEGSCDUCJLN-GDBMZVCRSA-N 2 0 273.380 1.523 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001713971965 1178901745 /nfs/dbraw/zinc/90/17/45/1178901745.db2.gz QPIQIDWDGOKDEQ-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC)CC1 ZINC001716808018 1180420780 /nfs/dbraw/zinc/42/07/80/1180420780.db2.gz GWFYFNJYZWKJJR-OAHLLOKOSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001752470558 1184867826 /nfs/dbraw/zinc/86/78/26/1184867826.db2.gz HHZQUMILQPUYEX-CVEARBPZSA-N 2 0 291.439 1.224 20 30 CDEDRP C=C(C)CC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001752484709 1184870826 /nfs/dbraw/zinc/87/08/26/1184870826.db2.gz QWTKVPSZMFQQIS-GOEBONIOSA-N 2 0 293.455 1.779 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001752795094 1184916042 /nfs/dbraw/zinc/91/60/42/1184916042.db2.gz QGTZWMRKBCZMPY-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)C[N@@H+](C)CCC ZINC001753038078 1185004996 /nfs/dbraw/zinc/00/49/96/1185004996.db2.gz OOPGLNODVBHQAF-MRXNPFEDSA-N 2 0 293.455 1.712 20 30 CDEDRP C=C(C)CC[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001753049895 1185018831 /nfs/dbraw/zinc/01/88/31/1185018831.db2.gz QZXVMBZTAYEJCH-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001753232014 1185126231 /nfs/dbraw/zinc/12/62/31/1185126231.db2.gz HIXCDCKUKUEBQC-CABCVRRESA-N 2 0 281.444 1.731 20 30 CDEDRP C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001753819080 1185344363 /nfs/dbraw/zinc/34/43/63/1185344363.db2.gz ZUMFKKFIISSRNR-LSDHHAIUSA-N 2 0 279.428 1.178 20 30 CDEDRP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001754103162 1185465626 /nfs/dbraw/zinc/46/56/26/1185465626.db2.gz ILRKCCQDMPWOJT-NNTXTVRGSA-N 2 0 265.401 1.309 20 30 CDEDRP C=CCC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001754521549 1185656122 /nfs/dbraw/zinc/65/61/22/1185656122.db2.gz JVWJWIXUBQQFFP-UHFFFAOYSA-N 2 0 279.428 1.675 20 30 CDEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001755388928 1185938187 /nfs/dbraw/zinc/93/81/87/1185938187.db2.gz MAVPUDRLEXAWSN-KGLIPLIRSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001755565978 1185993777 /nfs/dbraw/zinc/99/37/77/1185993777.db2.gz JWUPECNFNKFKGD-BPUTZDHNSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001755587454 1186003599 /nfs/dbraw/zinc/00/35/99/1186003599.db2.gz DEJDZENDHPACBO-ZIAGYGMSSA-N 2 0 267.417 1.482 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001755661727 1186028098 /nfs/dbraw/zinc/02/80/98/1186028098.db2.gz QBZGCWPNHLLAGX-KGLIPLIRSA-N 2 0 267.417 1.483 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001755735659 1186052808 /nfs/dbraw/zinc/05/28/08/1186052808.db2.gz LMNOFZHFYFCTBQ-CABCVRRESA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133846179 1163930662 /nfs/dbraw/zinc/93/06/62/1163930662.db2.gz VLJKSHYBZVDXJZ-KGLIPLIRSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133856592 1163932883 /nfs/dbraw/zinc/93/28/83/1163932883.db2.gz KOWLCNBYMGEEAE-INIZCTEOSA-N 2 0 299.434 1.871 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001133894167 1163953302 /nfs/dbraw/zinc/95/33/02/1163953302.db2.gz VUEKJOBXGKSGNL-UHFFFAOYSA-N 2 0 287.407 1.133 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC000991899598 912316251 /nfs/dbraw/zinc/31/62/51/912316251.db2.gz CUSGAKVHNWBWQM-UHFFFAOYSA-N 2 0 276.384 1.499 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001020499875 894169438 /nfs/dbraw/zinc/16/94/38/894169438.db2.gz GNMWMEGTMQBSKZ-KKUMJFAQSA-N 2 0 279.428 1.531 20 30 CDEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176167312 913976350 /nfs/dbraw/zinc/97/63/50/913976350.db2.gz XSBLRAKOQIDNAZ-HOTGVXAUSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176162021 913988697 /nfs/dbraw/zinc/98/86/97/913988697.db2.gz SUWRHSGWSGOGPZ-HNNXBMFYSA-N 2 0 297.443 1.017 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001022076968 896066005 /nfs/dbraw/zinc/06/60/05/896066005.db2.gz GXVBTUXBBMBJNX-BYNSBNAKSA-N 2 0 277.412 1.284 20 30 CDEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089336867 914031112 /nfs/dbraw/zinc/03/11/12/914031112.db2.gz ZACLUDIFJNIOCV-LSDHHAIUSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001022103033 896094835 /nfs/dbraw/zinc/09/48/35/896094835.db2.gz DFQBGZZDBFTMAD-FVCCEPFGSA-N 2 0 285.819 1.316 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001022838595 897003268 /nfs/dbraw/zinc/00/32/68/897003268.db2.gz SGACFSYVIVQBAG-XUWVNRHRSA-N 2 0 291.439 1.816 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001022920569 897160681 /nfs/dbraw/zinc/16/06/81/897160681.db2.gz DTZACSSHCBWIDW-GASCZTMLSA-N 2 0 279.428 1.530 20 30 CDEDRP COCCNC(=[NH2+])NCCCC[NH+]1CCC(C)CC1 ZINC000161509325 897176939 /nfs/dbraw/zinc/17/69/39/897176939.db2.gz IGIHWQMNBPSEBW-UHFFFAOYSA-N 2 0 270.421 1.049 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2ccnc2)C[C@H]1C ZINC001106712713 914172573 /nfs/dbraw/zinc/17/25/73/914172573.db2.gz IXLRPLAOHBTLLX-QLFBSQMISA-N 2 0 290.411 1.704 20 30 CDEDRP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024442790 898060007 /nfs/dbraw/zinc/06/00/07/898060007.db2.gz YEJDBCOGYOGDKO-CVEARBPZSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001104639056 898832874 /nfs/dbraw/zinc/83/28/74/898832874.db2.gz JNSCRDDRQZFUIV-BZUAXINKSA-N 2 0 295.471 1.833 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001167733287 899533292 /nfs/dbraw/zinc/53/32/92/899533292.db2.gz YFPQEDJCRGIPSQ-HNNXBMFYSA-N 2 0 293.455 1.780 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027330981 900436400 /nfs/dbraw/zinc/43/64/00/900436400.db2.gz DJGJBHXTUSZECV-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001027442529 900503257 /nfs/dbraw/zinc/50/32/57/900503257.db2.gz WZACMVFZGHZGBK-OAHLLOKOSA-N 2 0 277.412 1.027 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001027629614 900690332 /nfs/dbraw/zinc/69/03/32/900690332.db2.gz YYWGXIYAXVTZFF-MRXNPFEDSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994257863 914473774 /nfs/dbraw/zinc/47/37/74/914473774.db2.gz USHRUQXRVCEKHJ-CABCVRRESA-N 2 0 291.439 1.627 20 30 CDEDRP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001028092816 901319068 /nfs/dbraw/zinc/31/90/68/901319068.db2.gz DNLKHSZZTPQVLZ-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP C[NH+](C)[C@@H](CNC(=[NH2+])N1CCSCC1)C1CCCCC1 ZINC000261993810 904681561 /nfs/dbraw/zinc/68/15/61/904681561.db2.gz NAGQHFVOVOOCCD-AWEZNQCLSA-N 2 0 298.500 1.860 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CC[C@@]2(CCOC2)C1 ZINC000262021768 904824317 /nfs/dbraw/zinc/82/43/17/904824317.db2.gz YZJIZMYFOIDHQS-GOEBONIOSA-N 2 0 294.443 1.016 20 30 CDEDRP C[C@@H](C[NH+]=C(N(C)C)N(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000262021940 904829685 /nfs/dbraw/zinc/82/96/85/904829685.db2.gz YBRQACBALKFOJD-STQMWFEESA-N 2 0 254.422 1.729 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087569941 905696667 /nfs/dbraw/zinc/69/66/67/905696667.db2.gz TXYUOTWYEDVNNR-ARFHVFGLSA-N 2 0 291.439 1.462 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1CC ZINC001087699935 905768661 /nfs/dbraw/zinc/76/86/61/905768661.db2.gz SPIAYQFJZDTSSN-YHUYYLMFSA-N 2 0 291.439 1.319 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001016330382 921234324 /nfs/dbraw/zinc/23/43/24/921234324.db2.gz SBXMWEVGQDGSOO-MRXNPFEDSA-N 2 0 299.418 1.576 20 30 CDEDRP C#CCCN1CCC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1=O ZINC001168304753 908949318 /nfs/dbraw/zinc/94/93/18/908949318.db2.gz CHRIDXQZTYEKPH-UYSNPLJNSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC=C)C[C@H]2C)CC1 ZINC000989828703 909015581 /nfs/dbraw/zinc/01/55/81/909015581.db2.gz HTVRVFFDROSBMD-GDBMZVCRSA-N 2 0 289.423 1.097 20 30 CDEDRP CC[NH+]=C(NC[C@H]1CCCC[N@@H+]1CC)N1CCC(O)CC1 ZINC000086834837 909033326 /nfs/dbraw/zinc/03/33/26/909033326.db2.gz PXRSVANBOCLUPO-CQSZACIVSA-N 2 0 296.459 1.283 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001014499830 909118083 /nfs/dbraw/zinc/11/80/83/909118083.db2.gz FYJXXFAKSXOQPY-SOUVJXGZSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001092734583 909498258 /nfs/dbraw/zinc/49/82/58/909498258.db2.gz BCRZJSWRFFOWHM-KFWWJZLASA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004145814 921612154 /nfs/dbraw/zinc/61/21/54/921612154.db2.gz VLGRDQSWRIZGDN-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP COC(=O)CC[N@H+](CCC[NH+](C)C)[C@@H](C)CCCC#N ZINC001172504292 911736448 /nfs/dbraw/zinc/73/64/48/911736448.db2.gz GELDIBMSRHLCLE-AWEZNQCLSA-N 2 0 283.416 1.886 20 30 CDEDRP C[C@H](CCCC#N)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001172503274 911737492 /nfs/dbraw/zinc/73/74/92/911737492.db2.gz YLDSQJUDUVYNMO-MRXNPFEDSA-N 2 0 278.444 1.782 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033091857 921717789 /nfs/dbraw/zinc/71/77/89/921717789.db2.gz NPPSKDNIJNXVRM-RBSFLKMASA-N 2 0 279.428 1.435 20 30 CDEDRP COc1cccc(NC(=[NH2+])NCC[NH+]2CCCC2)c1 ZINC000170907727 912093941 /nfs/dbraw/zinc/09/39/41/912093941.db2.gz OEALZTZMUCEGNF-UHFFFAOYSA-N 2 0 262.357 1.518 20 30 CDEDRP C=CCCN1CC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001030594644 912102369 /nfs/dbraw/zinc/10/23/69/912102369.db2.gz MPWVEPVEXGBZHP-HNNXBMFYSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001178990123 915719924 /nfs/dbraw/zinc/71/99/24/915719924.db2.gz IQGSTJRGIYUTTC-SOUVJXGZSA-N 2 0 297.443 1.108 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)[C@H](CC)[NH+](C)C ZINC001179609350 915904700 /nfs/dbraw/zinc/90/47/00/915904700.db2.gz PCAQNEHUBCHHIS-AWEZNQCLSA-N 2 0 269.433 1.779 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001179580848 915907265 /nfs/dbraw/zinc/90/72/65/915907265.db2.gz SMAOAPBGFWPOQC-MRXNPFEDSA-N 2 0 293.455 1.760 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179925296 916064466 /nfs/dbraw/zinc/06/44/66/916064466.db2.gz OTBIGTOKWPXPCF-KKUMJFAQSA-N 2 0 279.428 1.483 20 30 CDEDRP CC1CC[NH+](CCCC[NH+]=C(N(C)C)N(C)C)CC1 ZINC000303902821 935046955 /nfs/dbraw/zinc/04/69/55/935046955.db2.gz UDKXSHSMFHGHBC-UHFFFAOYSA-N 2 0 268.449 1.978 20 30 CDEDRP CC[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[NH+]1CCCC1 ZINC000303887017 935047018 /nfs/dbraw/zinc/04/70/18/935047018.db2.gz KQJVUAZCMFIBFO-ZIAGYGMSSA-N 2 0 266.433 1.907 20 30 CDEDRP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])N2CCCCC2)CC1 ZINC000303902537 935047152 /nfs/dbraw/zinc/04/71/52/935047152.db2.gz XVTWMTCITHCOOF-OAHLLOKOSA-N 2 0 295.475 1.061 20 30 CDEDRP CC[C@@H](CNC(=[NH2+])NCCC(C)C)[NH+]1CCCC1 ZINC000303900219 935047600 /nfs/dbraw/zinc/04/76/00/935047600.db2.gz SDGRSLDRIICSTF-ZDUSSCGKSA-N 2 0 254.422 1.811 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001097776224 936372986 /nfs/dbraw/zinc/37/29/86/936372986.db2.gz USVXKDUTTIVMMC-KFWWJZLASA-N 2 0 277.412 1.236 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001097851967 936393869 /nfs/dbraw/zinc/39/38/69/936393869.db2.gz NYWXVQAIEQROFP-TUVASFSCSA-N 2 0 277.412 1.236 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001052713255 936398491 /nfs/dbraw/zinc/39/84/91/936398491.db2.gz UJZFEWPVIMUGSS-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032027462 917604921 /nfs/dbraw/zinc/60/49/21/917604921.db2.gz SEGTTXCREIZWRL-MRXNPFEDSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984094 917627434 /nfs/dbraw/zinc/62/74/34/917627434.db2.gz YAYKOWTUOMKFMW-HZPDHXFCSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001054790103 936471738 /nfs/dbraw/zinc/47/17/38/936471738.db2.gz IIQXEZFLIIIFFU-LSDHHAIUSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC001055016211 936482270 /nfs/dbraw/zinc/48/22/70/936482270.db2.gz XKBLQDQGDIIURF-GXTWGEPZSA-N 2 0 291.395 1.577 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)Cc2ncc[nH]2)C[C@H]1C ZINC001182997071 918249240 /nfs/dbraw/zinc/24/92/40/918249240.db2.gz KTVAOJMZCCZFQW-IUODEOHRSA-N 2 0 276.384 1.212 20 30 CDEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH]cn3)CCC[C@@H]12 ZINC001107560249 918453659 /nfs/dbraw/zinc/45/36/59/918453659.db2.gz CPSVKCOYSIIUAC-GDBMZVCRSA-N 2 0 288.395 1.499 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001183392574 918470102 /nfs/dbraw/zinc/47/01/02/918470102.db2.gz YLFUVKYZQHSSPF-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183411023 918476585 /nfs/dbraw/zinc/47/65/85/918476585.db2.gz WOGLGUARAQGFRN-HLLBOEOZSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CCC)C2)CC1 ZINC001000994537 936545132 /nfs/dbraw/zinc/54/51/32/936545132.db2.gz VNRHJWJSJZEHJV-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001001539619 936552693 /nfs/dbraw/zinc/55/26/93/936552693.db2.gz NWANDKBAISKYAX-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001050050546 936554622 /nfs/dbraw/zinc/55/46/22/936554622.db2.gz GCEGEAYTKHYRNI-QKPAOTATSA-N 2 0 291.439 1.435 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997184270 919080153 /nfs/dbraw/zinc/08/01/53/919080153.db2.gz NUMZVDBLMXNRGR-ZDUSSCGKSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050201709 936556902 /nfs/dbraw/zinc/55/69/02/936556902.db2.gz KKXICTNZUDRNGW-HRCADAONSA-N 2 0 291.439 1.437 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001202862487 936563845 /nfs/dbraw/zinc/56/38/45/936563845.db2.gz CCYKQKHBEPRJAJ-CYBMUJFWSA-N 2 0 288.395 1.192 20 30 CDEDRP C=CCCC[N@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273487695 919192156 /nfs/dbraw/zinc/19/21/56/919192156.db2.gz OKXULZJGZAYJCV-MRXNPFEDSA-N 2 0 279.428 1.439 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001185660143 919698099 /nfs/dbraw/zinc/69/80/99/919698099.db2.gz YQAQRZDJQZVWAE-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000999870952 919800848 /nfs/dbraw/zinc/80/08/48/919800848.db2.gz QIQRRFUMPZWTFD-UHFFFAOYSA-N 2 0 299.418 1.574 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C[C@H](C)n2ccnc2)C1 ZINC001185967883 919832467 /nfs/dbraw/zinc/83/24/67/919832467.db2.gz CTRTXYXRIVCKRY-UONOGXRCSA-N 2 0 274.368 1.048 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001188139009 920856180 /nfs/dbraw/zinc/85/61/80/920856180.db2.gz FOQGHGDDZUHNHP-HZPDHXFCSA-N 2 0 291.439 1.321 20 30 CDEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000834489496 936691155 /nfs/dbraw/zinc/69/11/55/936691155.db2.gz MZWFDQYMMYNHLA-CVEARBPZSA-N 2 0 298.390 1.124 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071794324 936692092 /nfs/dbraw/zinc/69/20/92/936692092.db2.gz AJPLLXBKPTZCLW-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001190492198 922046986 /nfs/dbraw/zinc/04/69/86/922046986.db2.gz QEFDRHFTSGDNQQ-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP C=C(Cl)CN1CC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001033415573 922203833 /nfs/dbraw/zinc/20/38/33/922203833.db2.gz JJNCOYOCBMNRGJ-ZIAGYGMSSA-N 2 0 299.846 1.756 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001074710861 936739873 /nfs/dbraw/zinc/73/98/73/936739873.db2.gz IJXXBIYAVMPDFD-RWMBFGLXSA-N 2 0 253.390 1.092 20 30 CDEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001005185131 922243466 /nfs/dbraw/zinc/24/34/66/922243466.db2.gz QPEPUUQIZZHQFH-OAHLLOKOSA-N 2 0 277.412 1.027 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001033683770 922315213 /nfs/dbraw/zinc/31/52/13/922315213.db2.gz BMMYYYUQTANMHL-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001099159344 936781372 /nfs/dbraw/zinc/78/13/72/936781372.db2.gz DDBWQYPBXQFMDW-YCPHGPKFSA-N 2 0 277.412 1.095 20 30 CDEDRP C#CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001035254579 922946811 /nfs/dbraw/zinc/94/68/11/922946811.db2.gz LRDMBBWCBBQIQJ-UHFFFAOYSA-N 2 0 289.423 1.030 20 30 CDEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001192326336 923010032 /nfs/dbraw/zinc/01/00/32/923010032.db2.gz QCRHIBQJNWLMSS-JKSUJKDBSA-N 2 0 293.455 1.663 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001036227440 923124354 /nfs/dbraw/zinc/12/43/54/923124354.db2.gz XTYNNMPNJSCTIE-CVEARBPZSA-N 2 0 293.455 1.731 20 30 CDEDRP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000923383998 923794049 /nfs/dbraw/zinc/79/40/49/923794049.db2.gz PUHZOOHNEQPNIF-RBSFLKMASA-N 2 0 289.379 1.157 20 30 CDEDRP C=CCOc1ccccc1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205673946 924346093 /nfs/dbraw/zinc/34/60/93/924346093.db2.gz WJUQDYVMQQNTBL-KRWDZBQOSA-N 2 0 290.407 1.927 20 30 CDEDRP C=CC[NH+]1CC=C(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001161219916 936947404 /nfs/dbraw/zinc/94/74/04/936947404.db2.gz QIRLJRHVDCSKDJ-OAHLLOKOSA-N 2 0 291.439 1.653 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001082699694 924985015 /nfs/dbraw/zinc/98/50/15/924985015.db2.gz QZVPIBLKGWOEFJ-OWCLPIDISA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001082861634 925011490 /nfs/dbraw/zinc/01/14/90/925011490.db2.gz IYSDDDDDHXHFAI-QLFBSQMISA-N 2 0 279.428 1.341 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001200894083 926153056 /nfs/dbraw/zinc/15/30/56/926153056.db2.gz LXWXYGSBHFYLAC-INIZCTEOSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001201053631 926194138 /nfs/dbraw/zinc/19/41/38/926194138.db2.gz VDICRBCDFPPCEC-OAHLLOKOSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596256 937067625 /nfs/dbraw/zinc/06/76/25/937067625.db2.gz VULWKIDTMIGEDD-HZPDHXFCSA-N 2 0 291.439 1.180 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001086253344 926899582 /nfs/dbraw/zinc/89/95/82/926899582.db2.gz BZRCPSVQBZETGY-CAOSSQGBSA-N 2 0 291.439 1.224 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001103086667 937120888 /nfs/dbraw/zinc/12/08/88/937120888.db2.gz MNQQAAVDDSJUCG-BMFZPTHFSA-N 2 0 293.455 1.587 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110662816 927989351 /nfs/dbraw/zinc/98/93/51/927989351.db2.gz QVGYHVGWWNMWIT-KBXIAJHMSA-N 2 0 277.412 1.234 20 30 CDEDRP C=CC[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151353947 937282093 /nfs/dbraw/zinc/28/20/93/937282093.db2.gz GXFYQTSEWLAHNZ-UHFFFAOYSA-N 2 0 253.390 1.144 20 30 CDEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109410434 928925123 /nfs/dbraw/zinc/92/51/23/928925123.db2.gz BYBVLUYJTKWPQG-PMPSAXMXSA-N 2 0 289.423 1.216 20 30 CDEDRP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001109417730 928928563 /nfs/dbraw/zinc/92/85/63/928928563.db2.gz LJKQDHGVFCYUST-WCVJEAGWSA-N 2 0 289.423 1.216 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152137676 937337873 /nfs/dbraw/zinc/33/78/73/937337873.db2.gz NRPRUKOIEXLUEW-RYUDHWBXSA-N 2 0 273.808 1.318 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152245496 937347439 /nfs/dbraw/zinc/34/74/39/937347439.db2.gz IRNWJDFUQHXVQQ-UHFFFAOYSA-N 2 0 275.396 1.644 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135102647 930052649 /nfs/dbraw/zinc/05/26/49/930052649.db2.gz KAANHXYDANFSKB-ZIAGYGMSSA-N 2 0 265.401 1.285 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180050 930086684 /nfs/dbraw/zinc/08/66/84/930086684.db2.gz CFGWWJLSCWJDPS-LSDHHAIUSA-N 2 0 293.455 1.757 20 30 CDEDRP C#CC[N@@H+](C)CCCNCc1c(OC)cccc1OC ZINC000883131377 930146684 /nfs/dbraw/zinc/14/66/84/930146684.db2.gz ZHPOTDGOBLJOMH-UHFFFAOYSA-N 2 0 276.380 1.749 20 30 CDEDRP N#Cc1c(Br)ccnc1N[C@H]([NH3+])CCC[NH3+] ZINC001170899464 930698277 /nfs/dbraw/zinc/69/82/77/930698277.db2.gz CRHRGCMLGWWGGH-VIFPVBQESA-N 2 0 284.161 1.151 20 30 CDEDRP C[NH+](C)CCOCC[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000219310259 930831114 /nfs/dbraw/zinc/83/11/14/930831114.db2.gz KOIJFBDYRSZZRO-UHFFFAOYSA-N 2 0 287.407 1.778 20 30 CDEDRP C#CCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)C1CC[NH+](C)CC1 ZINC000886578683 930913147 /nfs/dbraw/zinc/91/31/47/930913147.db2.gz HOENMGJHPHNINT-CQSZACIVSA-N 2 0 293.455 1.709 20 30 CDEDRP CC=C(NC=[NH2+])NC(=[NH2+])c1ccc(C(=O)OC)cc1 ZINC001170980785 931133660 /nfs/dbraw/zinc/13/36/60/931133660.db2.gz AQVPEUZFHJJGHY-QDEBKDIKSA-N 2 0 260.297 1.236 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001154001808 937489802 /nfs/dbraw/zinc/48/98/02/937489802.db2.gz WVYSCBLGCYGUCA-ZIAGYGMSSA-N 2 0 267.417 1.177 20 30 CDEDRP C#Cc1ccc(C[NH+]2CCN(CCC[NH+](C)C)CC2)cc1 ZINC001144576605 931909316 /nfs/dbraw/zinc/90/93/16/931909316.db2.gz PALNLDMWZLDEFK-UHFFFAOYSA-N 2 0 285.435 1.737 20 30 CDEDRP C[C@@]1(C[NH3+])CCC[N@@H+]([C@H]2CCN[C@H](C#N)C2)CC1 ZINC001246576232 931912917 /nfs/dbraw/zinc/91/29/17/931912917.db2.gz JKJMUECXKLYETM-MELADBBJSA-N 2 0 250.390 1.081 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455116 937546517 /nfs/dbraw/zinc/54/65/17/937546517.db2.gz GFUDPBUPVIRTDG-GDBMZVCRSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146593862 932269811 /nfs/dbraw/zinc/26/98/11/932269811.db2.gz QSOKIXCZZDHLAJ-ZIAGYGMSSA-N 2 0 267.417 1.223 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146613481 932271743 /nfs/dbraw/zinc/27/17/43/932271743.db2.gz TULREJCQXKBWAA-HOTGVXAUSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001095438019 932477358 /nfs/dbraw/zinc/47/73/58/932477358.db2.gz UQWZIGQDZVHACV-SUJAAXHWSA-N 2 0 291.439 1.624 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)CC)C2)C1 ZINC001147835750 932617317 /nfs/dbraw/zinc/61/73/17/932617317.db2.gz MEUQSDRAFCZSTQ-UHFFFAOYSA-N 2 0 279.428 1.437 20 30 CDEDRP C[NH+](C)CCN1CC[N@@H+](C2CCC(C#N)CC2)CCC1=O ZINC001256973548 932725372 /nfs/dbraw/zinc/72/53/72/932725372.db2.gz SMTCCFYMJMRBEL-UHFFFAOYSA-N 2 0 292.427 1.165 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092011344 932909867 /nfs/dbraw/zinc/90/98/67/932909867.db2.gz UQHPLNFXBFMRMC-INMHGKMJSA-N 2 0 291.439 1.295 20 30 CDEDRP N#Cc1ccc(NCC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])nc1 ZINC000925892971 932949896 /nfs/dbraw/zinc/94/98/96/932949896.db2.gz ITXQETHWJZNDOF-UONOGXRCSA-N 2 0 273.384 1.472 20 30 CDEDRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)CC#N ZINC000931272813 933529285 /nfs/dbraw/zinc/52/92/85/933529285.db2.gz ZVKIPFZPQBPBDC-MRXNPFEDSA-N 2 0 275.396 1.845 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120128863 937782281 /nfs/dbraw/zinc/78/22/81/937782281.db2.gz AKLCEYXXLDGZLD-CQSZACIVSA-N 2 0 279.428 1.533 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001120141112 937782903 /nfs/dbraw/zinc/78/29/03/937782903.db2.gz SBRJIMJARZILCF-UHFFFAOYSA-N 2 0 277.412 1.124 20 30 CDEDRP CCC[N@@H+]1CC[C@@H](CNC(NC(C)(C)C)=[NH+]C)C1 ZINC000303462268 935032774 /nfs/dbraw/zinc/03/27/74/935032774.db2.gz AWVMMEKCALHXHM-LBPRGKRZSA-N 2 0 254.422 1.682 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303877531 935045597 /nfs/dbraw/zinc/04/55/97/935045597.db2.gz FLFMYWKHPSFJKJ-MJBXVCDLSA-N 2 0 284.448 1.294 20 30 CDEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NCCC(C)C ZINC000304737593 935086554 /nfs/dbraw/zinc/08/65/54/935086554.db2.gz ANQVNTHVHLSUSK-ZDUSSCGKSA-N 2 0 254.422 1.811 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ncc(C)s1 ZINC000304787494 935088033 /nfs/dbraw/zinc/08/80/33/935088033.db2.gz IYBZXEGAKVNFAR-NSHDSACASA-N 2 0 281.429 1.340 20 30 CDEDRP CN(C(=[NH2+])NCCCCCCC[NH+](C)C)C1CC1 ZINC000305800185 935217495 /nfs/dbraw/zinc/21/74/95/935217495.db2.gz CVVDNYNUNNXJEM-UHFFFAOYSA-N 2 0 254.422 1.907 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001007491997 935383783 /nfs/dbraw/zinc/38/37/83/935383783.db2.gz KOQVLGYNMMTUQR-HZPDHXFCSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001008300126 935400704 /nfs/dbraw/zinc/40/07/04/935400704.db2.gz VOJCXSKFXVCBQL-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001038624442 935428032 /nfs/dbraw/zinc/42/80/32/935428032.db2.gz OHVVRMHBWIIZIP-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014705368 935547123 /nfs/dbraw/zinc/54/71/23/935547123.db2.gz PAORXBWPZXQGRY-CVEARBPZSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014893846 935553361 /nfs/dbraw/zinc/55/33/61/935553361.db2.gz LLRLPESXABFVNS-HNNXBMFYSA-N 2 0 291.439 1.629 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015930173 935593072 /nfs/dbraw/zinc/59/30/72/935593072.db2.gz JDRQQSVMXUWDFG-MRXNPFEDSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC=C)C2)CC1 ZINC001016330317 935611271 /nfs/dbraw/zinc/61/12/71/935611271.db2.gz FYYNLWWKNAVHAQ-INIZCTEOSA-N 2 0 289.423 1.098 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001016969165 935626158 /nfs/dbraw/zinc/62/61/58/935626158.db2.gz JWKNILHNTZNVKK-KBPBESRZSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C ZINC001017419768 935638091 /nfs/dbraw/zinc/63/80/91/935638091.db2.gz SPZIESZJXIFZNP-QLFBSQMISA-N 2 0 277.412 1.332 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001017944534 935655776 /nfs/dbraw/zinc/65/57/76/935655776.db2.gz MAXFJAWVXAZYDC-WCVJEAGWSA-N 2 0 291.439 1.435 20 30 CDEDRP C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001018300846 935665084 /nfs/dbraw/zinc/66/50/84/935665084.db2.gz JWHQHWUYBZUHAT-XHSDSOJGSA-N 2 0 291.439 1.722 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001019382992 935702868 /nfs/dbraw/zinc/70/28/68/935702868.db2.gz RSLQGUXOPBVHJT-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001019659750 935712613 /nfs/dbraw/zinc/71/26/13/935712613.db2.gz KJRXWELTKDCGGN-LBPRGKRZSA-N 2 0 283.803 1.025 20 30 CDEDRP CC#CCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001038237562 935738400 /nfs/dbraw/zinc/73/84/00/935738400.db2.gz CXDPRHBAXHPAMJ-CABCVRRESA-N 2 0 277.412 1.073 20 30 CDEDRP C#CCC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001039050357 935767949 /nfs/dbraw/zinc/76/79/49/935767949.db2.gz OKZDMEQFWCMAJG-INIZCTEOSA-N 2 0 299.418 1.576 20 30 CDEDRP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001039377372 935773591 /nfs/dbraw/zinc/77/35/91/935773591.db2.gz UOIVRAHJUWQLPH-LVQVYYBASA-N 2 0 289.423 1.025 20 30 CDEDRP C#CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001041353436 935798740 /nfs/dbraw/zinc/79/87/40/935798740.db2.gz HNIRYPXMNVJWGA-KRWDZBQOSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046373585 935944657 /nfs/dbraw/zinc/94/46/57/935944657.db2.gz BHNKHXAGXXLYLJ-NVXWUHKLSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[N@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046486479 935954986 /nfs/dbraw/zinc/95/49/86/935954986.db2.gz JNDMPNZJTHRZGJ-INIZCTEOSA-N 2 0 282.347 1.162 20 30 CDEDRP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046566203 935960105 /nfs/dbraw/zinc/96/01/05/935960105.db2.gz YYMSJWWZXCGFJP-DOTOQJQBSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001049717098 936173613 /nfs/dbraw/zinc/17/36/13/936173613.db2.gz CRVPLHHRASHOEA-OWCLPIDISA-N 2 0 289.423 1.027 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001049892035 936187027 /nfs/dbraw/zinc/18/70/27/936187027.db2.gz YXFFHKIONYSGHH-BZUAXINKSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001096608067 936193351 /nfs/dbraw/zinc/19/33/51/936193351.db2.gz OWJXGXRKVMWIQV-FXUDXRNXSA-N 2 0 291.439 1.768 20 30 CDEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)Cn1ccnc1 ZINC001157293974 938475902 /nfs/dbraw/zinc/47/59/02/938475902.db2.gz POWWMRZXNGAWBW-CQSZACIVSA-N 2 0 278.400 1.676 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001159329084 938722260 /nfs/dbraw/zinc/72/22/60/938722260.db2.gz YFCQJKYOLAGARX-CQSZACIVSA-N 2 0 267.417 1.533 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001159838404 938756472 /nfs/dbraw/zinc/75/64/72/938756472.db2.gz LPVMAFDTHROGRI-OAHLLOKOSA-N 2 0 281.444 1.636 20 30 CDEDRP COc1cc(-n2cc(CC[NH3+])c3c[nH+]ccc32)ncc1C#N ZINC001160944517 938846911 /nfs/dbraw/zinc/84/69/11/938846911.db2.gz ONUQJBIJKAYKAS-UHFFFAOYSA-N 2 0 293.330 1.802 20 30 CDEDRP C=CC[N@H+]1CC=C(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001161723474 938926054 /nfs/dbraw/zinc/92/60/54/938926054.db2.gz PWCJBJIPJGURIZ-UHFFFAOYSA-N 2 0 289.423 1.407 20 30 CDEDRP C=CC(NCC[C@@H]1C[NH2+]Cc2cccn2C1)=[NH+]COC ZINC001163057383 939186704 /nfs/dbraw/zinc/18/67/04/939186704.db2.gz ZZGRECGMDWUIPW-CYBMUJFWSA-N 2 0 276.384 1.376 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(OC)cc(C#N)n1 ZINC001163125493 939205613 /nfs/dbraw/zinc/20/56/13/939205613.db2.gz CRLCCKODGUGSSP-UHFFFAOYSA-N 2 0 290.371 1.240 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001165485241 939567634 /nfs/dbraw/zinc/56/76/34/939567634.db2.gz QDASXXYIYYQSHF-AWEZNQCLSA-N 2 0 279.428 1.389 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001166744414 939634441 /nfs/dbraw/zinc/63/44/41/939634441.db2.gz VRVNYCAOURQMED-UHFFFAOYSA-N 2 0 289.851 1.813 20 30 CDEDRP N#Cc1ccc(F)c(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205221677 939838174 /nfs/dbraw/zinc/83/81/74/939838174.db2.gz WBCFTWCCXKCDPI-HNNXBMFYSA-N 2 0 277.343 1.373 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001205335355 939882680 /nfs/dbraw/zinc/88/26/80/939882680.db2.gz YHFMTCYVOZBWCH-JKSUJKDBSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001205617089 939909110 /nfs/dbraw/zinc/90/91/10/939909110.db2.gz XMTJAYZWTRKZSO-UHFFFAOYSA-N 2 0 291.439 1.629 20 30 CDEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001206928745 940113216 /nfs/dbraw/zinc/11/32/16/940113216.db2.gz HPATVAUCFKVLLD-UHFFFAOYSA-N 2 0 299.846 1.663 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208453648 940332867 /nfs/dbraw/zinc/33/28/67/940332867.db2.gz MIHGLTJFPJXOPH-ZDUSSCGKSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001208498233 940336026 /nfs/dbraw/zinc/33/60/26/940336026.db2.gz NWZNKPWTCPUSKG-OAHLLOKOSA-N 2 0 296.374 1.552 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001208498844 940336469 /nfs/dbraw/zinc/33/64/69/940336469.db2.gz YCYYJNKKMXPDKL-OAHLLOKOSA-N 2 0 296.374 1.552 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211233979 940740670 /nfs/dbraw/zinc/74/06/70/940740670.db2.gz SEMCHVUFEGVKHO-MRXNPFEDSA-N 2 0 291.439 1.466 20 30 CDEDRP C=C1CC[NH2+]C[C@@H]1OC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217830847 941021846 /nfs/dbraw/zinc/02/18/46/941021846.db2.gz AXBYRIBRJONWAL-GJZGRUSLSA-N 2 0 280.412 1.470 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC001220494580 941450693 /nfs/dbraw/zinc/45/06/93/941450693.db2.gz ORBFFKLTCVFRKM-ZDUSSCGKSA-N 2 0 267.417 1.838 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001226564371 942026993 /nfs/dbraw/zinc/02/69/93/942026993.db2.gz KKIHXGHJPPGUIL-RRFJBIMHSA-N 2 0 299.434 1.869 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001229171241 942427684 /nfs/dbraw/zinc/42/76/84/942427684.db2.gz LKTZYYMFYXKXEB-INIZCTEOSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001229717381 942515090 /nfs/dbraw/zinc/51/50/90/942515090.db2.gz SAEJTJUJVGWELR-HUUCEWRRSA-N 2 0 291.439 1.675 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001230345008 942609044 /nfs/dbraw/zinc/60/90/44/942609044.db2.gz SWUAGFBODLRDOX-UHFFFAOYSA-N 2 0 291.439 1.466 20 30 CDEDRP C[N@@H+](Cc1cc(C#N)ccn1)CC1CC[NH+](C)CC1 ZINC001232480924 943294529 /nfs/dbraw/zinc/29/45/29/943294529.db2.gz NUUUTRIGDWUFMP-UHFFFAOYSA-N 2 0 258.369 1.727 20 30 CDEDRP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001235302001 944113316 /nfs/dbraw/zinc/11/33/16/944113316.db2.gz DDYBWQUOWINHCF-JKSUJKDBSA-N 2 0 293.455 1.968 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235356759 944134811 /nfs/dbraw/zinc/13/48/11/944134811.db2.gz YQVHZVBMIWPKTD-HUUCEWRRSA-N 2 0 279.428 1.435 20 30 CDEDRP [NH3+]CCN(CC[NH3+])Cc1ccc(C#Cc2ccccc2)s1 ZINC001235878459 944307068 /nfs/dbraw/zinc/30/70/68/944307068.db2.gz ZJQJILCAIYVBBC-UHFFFAOYSA-N 2 0 299.443 1.867 20 30 CDEDRP CCCCCCCCOC(=O)N(CC[NH3+])CC[NH3+] ZINC001239334722 945419701 /nfs/dbraw/zinc/41/97/01/945419701.db2.gz MKAMQWIULFNGJJ-UHFFFAOYSA-N 2 0 259.394 1.703 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC001261456233 946125788 /nfs/dbraw/zinc/12/57/88/946125788.db2.gz QVYTZFHULGXKSN-ZDUSSCGKSA-N 2 0 258.325 1.249 20 30 CDEDRP N#CCCCCc1cn(CCCC[NH2+]CCC[NH3+])nn1 ZINC001254164006 947317588 /nfs/dbraw/zinc/31/75/88/947317588.db2.gz DJANGKAXLOFHSK-UHFFFAOYSA-N 2 0 278.404 1.233 20 30 CDEDRP N#C[C@@H]1CC[C@@H](N2CC[NH+](CCCC[NH3+])CC2)C1 ZINC001254657170 947574935 /nfs/dbraw/zinc/57/49/35/947574935.db2.gz OBSDBMOYNRNHPW-ZIAGYGMSSA-N 2 0 250.390 1.035 20 30 CDEDRP C[C@H](CCCC#N)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246146939 947989280 /nfs/dbraw/zinc/98/92/80/947989280.db2.gz OXXJVPBXTZMIDV-ZIAGYGMSSA-N 2 0 264.417 1.533 20 30 CDEDRP CC[C@H](C)[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)NO ZINC001255676386 948067042 /nfs/dbraw/zinc/06/70/42/948067042.db2.gz MGYXPTMFVWKDMC-WYTNZGFTSA-N 2 0 283.416 1.511 20 30 CDEDRP C=C1C[C@@H]2CC([NH2+]CCCC[C@H]([NH3+])C(N)=O)C[C@H](C1)C2 ZINC001246416787 948165471 /nfs/dbraw/zinc/16/54/71/948165471.db2.gz LVUAKYFQYCGGNN-IXXDHKBRSA-N 2 0 279.428 1.694 20 30 CDEDRP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246560756 948275499 /nfs/dbraw/zinc/27/54/99/948275499.db2.gz PLFDQQIBTQHOLX-RHSMWYFYSA-N 2 0 287.407 1.665 20 30 CDEDRP Cc1cc(-c2noc([C@H]3C[NH2+]CC34C[NH2+]C4)n2)ccc1C#N ZINC001247828129 948804511 /nfs/dbraw/zinc/80/45/11/948804511.db2.gz ATCBZBCNWJQBJC-CYBMUJFWSA-N 2 0 295.346 1.193 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001252491683 951361913 /nfs/dbraw/zinc/36/19/13/951361913.db2.gz UAPRFWGJYLXYPY-BFHYXJOUSA-N 2 0 256.390 1.012 20 30 CDEDRP C=C[C@@](C)(O)C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001252540792 951426030 /nfs/dbraw/zinc/42/60/30/951426030.db2.gz AUPMXBCULKSCDX-QGZVFWFLSA-N 2 0 296.455 1.748 20 30 CDEDRP C=C[C@H](O)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001253585712 951977653 /nfs/dbraw/zinc/97/76/53/951977653.db2.gz ZAQFIARDAKESKK-ZNMIVQPWSA-N 2 0 252.402 1.872 20 30 CDEDRP C=C[C@@H](O)C[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001253601514 951989313 /nfs/dbraw/zinc/98/93/13/951989313.db2.gz RBRSGNYDSWHPAR-QGZVFWFLSA-N 2 0 289.423 1.071 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001324894321 953625694 /nfs/dbraw/zinc/62/56/94/953625694.db2.gz MNLOOAOUJDZYMO-UHFFFAOYSA-N 2 0 294.443 1.067 20 30 CDEDRP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317380325 956241352 /nfs/dbraw/zinc/24/13/52/956241352.db2.gz AUEPMQRKHYWSEL-GJZGRUSLSA-N 2 0 279.428 1.273 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001366390497 956790927 /nfs/dbraw/zinc/79/09/27/956790927.db2.gz VCAFWIIZJMRLEG-ZDUSSCGKSA-N 2 0 287.835 1.661 20 30 CDEDRP C[N@@H+]1CCCC[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001336810913 960613099 /nfs/dbraw/zinc/61/30/99/960613099.db2.gz KZGAGCGGSUFEEW-UONOGXRCSA-N 2 0 267.417 1.609 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001340105870 962748191 /nfs/dbraw/zinc/74/81/91/962748191.db2.gz PDLFHBKUWIGAJH-HUUCEWRRSA-N 2 0 281.444 1.860 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001341618341 963485356 /nfs/dbraw/zinc/48/53/56/963485356.db2.gz HTEMLKYXOYLKCY-CVEARBPZSA-N 2 0 293.455 1.860 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)C(C)C ZINC001348836785 966199858 /nfs/dbraw/zinc/19/98/58/966199858.db2.gz GCQAMINATJQELJ-YHUYYLMFSA-N 2 0 291.439 1.409 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637064 968840702 /nfs/dbraw/zinc/84/07/02/968840702.db2.gz AHUAYDOYMVUKHP-UHFFFAOYSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637465 968841431 /nfs/dbraw/zinc/84/14/31/968841431.db2.gz SKJCJGDMYLIECB-NFOMZHRRSA-N 2 0 281.444 1.777 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001100668825 968910005 /nfs/dbraw/zinc/91/00/05/968910005.db2.gz HXEXYORGSSNPMA-NRXISQOPSA-N 2 0 279.428 1.224 20 30 CDEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001496612455 972989518 /nfs/dbraw/zinc/98/95/18/972989518.db2.gz NYLNSNJTWJHTIT-KGLIPLIRSA-N 2 0 269.433 1.633 20 30 CDEDRP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001507963118 975570134 /nfs/dbraw/zinc/57/01/34/975570134.db2.gz GMZDZLJPAOPARQ-KBPBESRZSA-N 2 0 279.428 1.224 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001402547498 976354998 /nfs/dbraw/zinc/35/49/98/976354998.db2.gz SIMAKMKMRDTGRE-CHWSQXEVSA-N 2 0 299.846 1.708 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001394427997 978157963 /nfs/dbraw/zinc/15/79/63/978157963.db2.gz GWHHYAHGJCXFBC-KGLIPLIRSA-N 2 0 299.846 1.660 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001394512753 978189719 /nfs/dbraw/zinc/18/97/19/978189719.db2.gz QURDJTMQPLQHFX-CYBMUJFWSA-N 2 0 299.846 1.804 20 30 CDEDRP C[C@H](NC(=O)N(C)Cc1nccn1C)C1=CC[N@H+](C)CC1 ZINC000329686186 361762194 /nfs/dbraw/zinc/76/21/94/361762194.db2.gz ALZQJBLJMPYQPJ-LBPRGKRZSA-N 2 0 291.399 1.416 20 30 CDEDRP N#CCN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000591570695 342637224 /nfs/dbraw/zinc/63/72/24/342637224.db2.gz CETVTISEHIRTKD-BRWVUGGUSA-N 2 0 290.455 1.875 20 30 CDEDRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)CC[N@@H+]1C ZINC000598721916 343884175 /nfs/dbraw/zinc/88/41/75/343884175.db2.gz XVNQUOPFXVVJCU-JHJVBQTASA-N 2 0 253.390 1.359 20 30 CDEDRP C[C@H](CCC#N)C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000602545117 344462041 /nfs/dbraw/zinc/46/20/41/344462041.db2.gz SUUQQOURHTXPDY-ZIAGYGMSSA-N 2 0 280.416 1.103 20 30 CDEDRP CCNC(=[NH2+])NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC000264071119 362958230 /nfs/dbraw/zinc/95/82/30/362958230.db2.gz DFZXPYUZWFFWRP-OAHLLOKOSA-N 2 0 276.428 1.864 20 30 CDEDRP CCCNC(=[NH2+])NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000264160452 362984013 /nfs/dbraw/zinc/98/40/13/362984013.db2.gz BFXFPTVLBJVQPU-UHFFFAOYSA-N 2 0 292.427 1.484 20 30 CDEDRP C=CCC[C@@H](O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000156975178 360723819 /nfs/dbraw/zinc/72/38/19/360723819.db2.gz CMXQIJXZZBEFEN-JKSUJKDBSA-N 2 0 281.444 1.025 20 30 CDEDRP C=CCC[C@@H](O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683019 364396482 /nfs/dbraw/zinc/39/64/82/364396482.db2.gz RCMKLCRFEFKCNK-MRXNPFEDSA-N 2 0 275.396 1.921 20 30 CDEDRP [NH2+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)Nc1ccccn1 ZINC000170905414 365158140 /nfs/dbraw/zinc/15/81/40/365158140.db2.gz BOCATZUNKAZZQK-NSHDSACASA-N 2 0 259.357 1.293 20 30 CDEDRP CC1CCN(C(=[NH2+])NCC[NH+]2CCC(C)CC2)CC1 ZINC000122476401 370817836 /nfs/dbraw/zinc/81/78/36/370817836.db2.gz RWKXPJYJONEXCJ-UHFFFAOYSA-N 2 0 266.433 1.765 20 30 CDEDRP CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000423203736 245664502 /nfs/dbraw/zinc/66/45/02/245664502.db2.gz NDFVPRYLDWUAEC-MRXNPFEDSA-N 2 0 272.396 1.504 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000358223050 390488020 /nfs/dbraw/zinc/48/80/20/390488020.db2.gz JEJKFHRRERUYBB-CQSZACIVSA-N 2 0 265.401 1.237 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Cl)nc1 ZINC000104160481 390485896 /nfs/dbraw/zinc/48/58/96/390485896.db2.gz XNLLYGZZMUZHLA-GFCCVEGCSA-N 2 0 295.818 1.624 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NCCC[N@H+](C)Cc1ccccc1 ZINC000104157428 390486093 /nfs/dbraw/zinc/48/60/93/390486093.db2.gz XWIIDXUIMASEHC-CQSZACIVSA-N 2 0 292.427 1.448 20 30 CDEDRP C=CCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000373253704 391112788 /nfs/dbraw/zinc/11/27/88/391112788.db2.gz BMJAQZVYQCZUEF-UHFFFAOYSA-N 2 0 265.445 1.912 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H](C)N(C)Cc1ccccc1 ZINC000267474136 391197735 /nfs/dbraw/zinc/19/77/35/391197735.db2.gz YTKXXTZZJYDLPM-KGLIPLIRSA-N 2 0 292.427 1.446 20 30 CDEDRP CCC[N@H+](CCCC#N)CCN1CC[NH+](CC)CC1 ZINC000344152491 391896897 /nfs/dbraw/zinc/89/68/97/391896897.db2.gz UGYBXWQQIBVJBO-UHFFFAOYSA-N 2 0 266.433 1.640 20 30 CDEDRP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404415252 413278710 /nfs/dbraw/zinc/27/87/10/413278710.db2.gz FSZHYDCNAGYQJP-CABCVRRESA-N 2 0 279.428 1.636 20 30 CDEDRP CC[NH+](CC)[C@H](CNC(NC)=[NH+]C)Cc1ccccc1 ZINC000264110664 262873325 /nfs/dbraw/zinc/87/33/25/262873325.db2.gz QSRVFWNZJNPZGT-HNNXBMFYSA-N 2 0 276.428 1.734 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)c1nccs1 ZINC000273355931 263016054 /nfs/dbraw/zinc/01/60/54/263016054.db2.gz BYUCPUWRAHXMCM-NWDGAFQWSA-N 2 0 295.456 1.635 20 30 CDEDRP CNC(NC[C@H]1CSCCN1Cc1ccccc1)=[NH+]C ZINC000277284604 263040528 /nfs/dbraw/zinc/04/05/28/263040528.db2.gz KHBOMMJSUZSENS-AWEZNQCLSA-N 2 0 292.452 1.399 20 30 CDEDRP C=CCC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1CC1 ZINC000438987308 263087673 /nfs/dbraw/zinc/08/76/73/263087673.db2.gz PMKRBVHXWHKTMQ-CQSZACIVSA-N 2 0 252.402 1.778 20 30 CDEDRP C=CCN1CC[C@@H]([NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)C1=O ZINC000662291146 423917318 /nfs/dbraw/zinc/91/73/18/423917318.db2.gz BVCLQKDHNYSYPT-JKSUJKDBSA-N 2 0 291.439 1.485 20 30 CDEDRP [NH2+]=C(NCC1CC[NH+](C2CC2)CC1)Nc1ccccn1 ZINC000262766198 328151935 /nfs/dbraw/zinc/15/19/35/328151935.db2.gz HFZMYPUHIDFVHV-UHFFFAOYSA-N 2 0 273.384 1.683 20 30 CDEDRP Cc1cc(CN(CC[NH+](C)C)CC[NH+](C)C)ccc1C#N ZINC000583779615 325239074 /nfs/dbraw/zinc/23/90/74/325239074.db2.gz BXNDGZHNGRIKFZ-UHFFFAOYSA-N 2 0 288.439 1.792 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000151840787 327512158 /nfs/dbraw/zinc/51/21/58/327512158.db2.gz YDVKQVCLSRYHOP-UHFFFAOYSA-N 2 0 279.428 1.130 20 30 CDEDRP C[NH+]=C(NCCC1CC[NH+](C)CC1)N(C)C[C@H]1CCOC1 ZINC000261643836 329974208 /nfs/dbraw/zinc/97/42/08/329974208.db2.gz LHQZZGDUPUMWRX-OAHLLOKOSA-N 2 0 296.459 1.262 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[C@H]1C ZINC000262195401 330001712 /nfs/dbraw/zinc/00/17/12/330001712.db2.gz RNIXKPJIVPIBJO-HZSPNIEDSA-N 2 0 266.433 1.811 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[C@H](C)C1 ZINC000262486492 330016948 /nfs/dbraw/zinc/01/69/48/330016948.db2.gz SRZFQZDUAVSFQW-BFHYXJOUSA-N 2 0 266.433 1.811 20 30 CDEDRP C[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]1CCC(C)CC1 ZINC000424140625 330281192 /nfs/dbraw/zinc/28/11/92/330281192.db2.gz BMBVJKKFNWAXDN-UONOGXRCSA-N 2 0 280.416 1.244 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000424174667 330314389 /nfs/dbraw/zinc/31/43/89/330314389.db2.gz NBYNRYXUZJPTOF-GFCCVEGCSA-N 2 0 290.342 1.431 20 30 CDEDRP C=CCC[C@@H](O)C[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000451980597 331049327 /nfs/dbraw/zinc/04/93/27/331049327.db2.gz HUCHIDHIAZFNOC-OAHLLOKOSA-N 2 0 283.460 1.319 20 30 CDEDRP CCCNC(=[NH2+])NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195291834 331166768 /nfs/dbraw/zinc/16/67/68/331166768.db2.gz YOFFTKDQMVFYMO-HNNXBMFYSA-N 2 0 274.412 1.823 20 30 CDEDRP C#CCNC(=O)CC[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC000491155831 332158376 /nfs/dbraw/zinc/15/83/76/332158376.db2.gz VJDPMHXBQBHLQW-UHFFFAOYSA-N 2 0 293.455 1.570 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001022974777 1159193010 /nfs/dbraw/zinc/19/30/10/1159193010.db2.gz BQMMUBSPLPATSO-JONQDZQNSA-N 2 0 293.455 1.920 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000491669265 332276897 /nfs/dbraw/zinc/27/68/97/332276897.db2.gz XIPPZRSSNYEHSA-UHFFFAOYSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CC[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000491692041 332288697 /nfs/dbraw/zinc/28/86/97/332288697.db2.gz HPKIWWXIDNGPEX-HUUCEWRRSA-N 2 0 294.443 1.066 20 30 CDEDRP C#CCNC(=O)CC[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000491703327 332297420 /nfs/dbraw/zinc/29/74/20/332297420.db2.gz WUPQJFYKVZGMEA-IYBDPMFKSA-N 2 0 293.455 1.474 20 30 CDEDRP C=CCOCC[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167667019 1159204294 /nfs/dbraw/zinc/20/42/94/1159204294.db2.gz DLDLVQCIHVGZOZ-UHFFFAOYSA-N 2 0 297.443 1.017 20 30 CDEDRP C[C@@H]1C[NH+]=C(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)N1 ZINC000261540829 334190616 /nfs/dbraw/zinc/19/06/16/334190616.db2.gz FIBXWUXVAANKRT-UKRRQHHQSA-N 2 0 272.396 1.446 20 30 CDEDRP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024760513 1159431647 /nfs/dbraw/zinc/43/16/47/1159431647.db2.gz VBFSMXICOWJSHM-AWEZNQCLSA-N 2 0 277.412 1.239 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001106897367 1161219769 /nfs/dbraw/zinc/21/97/69/1161219769.db2.gz CQYKQWNVUJBRAS-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001128533288 1161493433 /nfs/dbraw/zinc/49/34/33/1161493433.db2.gz KPBRVOWASIXVAY-ZIAGYGMSSA-N 2 0 287.423 1.727 20 30 CDEDRP C[NH+]=C(NC[C@@H](C1CC1)[NH+](C)C)NC1CCCC1 ZINC000103906008 526368854 /nfs/dbraw/zinc/36/88/54/526368854.db2.gz ALDKHGBILGJMOE-ZDUSSCGKSA-N 2 0 252.406 1.434 20 30 CDEDRP C#CCCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000766894764 576143098 /nfs/dbraw/zinc/14/30/98/576143098.db2.gz GRCLXXUVMXTGME-CALCHBBNSA-N 2 0 277.456 1.890 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCC)C2)CC1 ZINC000939808916 613129587 /nfs/dbraw/zinc/12/95/87/613129587.db2.gz HFPQULABKPTJFO-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000981958669 613254431 /nfs/dbraw/zinc/25/44/31/613254431.db2.gz HWGKBBRYFKLCCL-HOTGVXAUSA-N 2 0 293.455 1.685 20 30 CDEDRP C=C(C)C[N@@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000981740861 613307974 /nfs/dbraw/zinc/30/79/74/613307974.db2.gz GTNWUPKSQJTYNE-UHFFFAOYSA-N 2 0 293.455 1.971 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000969800130 613348051 /nfs/dbraw/zinc/34/80/51/613348051.db2.gz JWOUVLFQOGALAU-CQSZACIVSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000969675598 613348927 /nfs/dbraw/zinc/34/89/27/613348927.db2.gz WFFXQTYUCJZUNX-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968152159 613530922 /nfs/dbraw/zinc/53/09/22/613530922.db2.gz JYFZVDMWONJTSX-GOEBONIOSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000948779636 613704268 /nfs/dbraw/zinc/70/42/68/613704268.db2.gz QPNRUBPLMPPCFD-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947935937 613780387 /nfs/dbraw/zinc/78/03/87/613780387.db2.gz SDHUAIMYTMKYGJ-KBPBESRZSA-N 2 0 277.412 1.237 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000939550686 613870454 /nfs/dbraw/zinc/87/04/54/613870454.db2.gz OLAWOLCWPXFODI-TZMCWYRMSA-N 2 0 288.395 1.384 20 30 CDEDRP N#Cc1sccc1N1CC[NH+](C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000903463793 625996512 /nfs/dbraw/zinc/99/65/12/625996512.db2.gz NCDZBQDIOLDQKH-QWHCGFSZSA-N 2 0 290.436 1.869 20 30 CDEDRP N#CC1(CCCC[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CCC1 ZINC000903748978 626071922 /nfs/dbraw/zinc/07/19/22/626071922.db2.gz FDHNJBZTXWQYLW-INIZCTEOSA-N 2 0 290.455 1.830 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000911813591 629507082 /nfs/dbraw/zinc/50/70/82/629507082.db2.gz YXFOQGKRYKEYAD-ZIAGYGMSSA-N 2 0 269.433 1.885 20 30 CDEDRP CC(C)[NH+]=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC(C)(C)C ZINC000912509615 630049642 /nfs/dbraw/zinc/04/96/42/630049642.db2.gz LTCQIAAZPGOILX-UONOGXRCSA-N 2 0 296.459 1.592 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)c1sccc1C[NH+](C)C ZINC000913519756 630525174 /nfs/dbraw/zinc/52/51/74/630525174.db2.gz MYIBHWURLYTDSM-UHFFFAOYSA-N 2 0 279.409 1.105 20 30 CDEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001104348502 1158779699 /nfs/dbraw/zinc/77/96/99/1158779699.db2.gz HWCKCFTTXRGJAM-BZUAXINKSA-N 2 0 293.455 1.424 20 30 CDEDRP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157702528 1162299890 /nfs/dbraw/zinc/29/98/90/1162299890.db2.gz WCOXEOVWYDOWGS-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129421565 1162471796 /nfs/dbraw/zinc/47/17/96/1162471796.db2.gz AMMLZCBJJSODTK-HNNXBMFYSA-N 2 0 281.444 1.921 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430255 1162473687 /nfs/dbraw/zinc/47/36/87/1162473687.db2.gz QJEVDEOCVISBGV-OAHLLOKOSA-N 2 0 277.412 1.123 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000804530634 1162484055 /nfs/dbraw/zinc/48/40/55/1162484055.db2.gz JXEZJKJITDKXOX-UHFFFAOYSA-N 2 0 287.407 1.447 20 30 CDEDRP C#Cc1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000809605225 1163045997 /nfs/dbraw/zinc/04/59/97/1163045997.db2.gz DWJPJLBQDQJAOQ-UHFFFAOYSA-N 2 0 285.435 1.785 20 30 CDEDRP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028003962 1159780258 /nfs/dbraw/zinc/78/02/58/1159780258.db2.gz VOFKMCQIXLSDED-CQSZACIVSA-N 2 0 284.363 1.715 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131845021 1163072691 /nfs/dbraw/zinc/07/26/91/1163072691.db2.gz QZRQCTXPSPTKOV-UHFFFAOYSA-N 2 0 281.444 1.923 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001032207229 1161303082 /nfs/dbraw/zinc/30/30/82/1161303082.db2.gz IJDMEJMNWBKAIS-UHFFFAOYSA-N 2 0 299.418 1.433 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001113018797 1162075355 /nfs/dbraw/zinc/07/53/55/1162075355.db2.gz APENGPQIFCPPBU-HNNXBMFYSA-N 2 0 279.428 1.581 20 30 CDEDRP C#CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000815212174 1164115134 /nfs/dbraw/zinc/11/51/34/1164115134.db2.gz LJVXQNIKQXCLIQ-YIONKMFJSA-N 2 0 250.386 1.583 20 30 CDEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001114422859 1164949433 /nfs/dbraw/zinc/94/94/33/1164949433.db2.gz JBSWLLWTHQLZCB-AIANPOQGSA-N 2 0 291.439 1.483 20 30 CDEDRP C#CCNC(=O)CC[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000872222859 1165399076 /nfs/dbraw/zinc/39/90/76/1165399076.db2.gz GRXURSFSYQSMTQ-UHFFFAOYSA-N 2 0 279.428 1.226 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001019559000 1166941739 /nfs/dbraw/zinc/94/17/39/1166941739.db2.gz YSFHMQZBQNGNRS-AWEZNQCLSA-N 2 0 299.846 1.661 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001156000936 1167281213 /nfs/dbraw/zinc/28/12/13/1167281213.db2.gz YBAILXYCJZBEKC-OAHLLOKOSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CC[C@@]1(C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCC[NH2+]1 ZINC001574526029 1170991825 /nfs/dbraw/zinc/99/18/25/1170991825.db2.gz XCQXJIGQGZJGNH-SFHVURJKSA-N 2 0 299.418 1.875 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001713730178 1178727735 /nfs/dbraw/zinc/72/77/35/1178727735.db2.gz KTIBETGVVCBCEG-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001725271517 1181947959 /nfs/dbraw/zinc/94/79/59/1181947959.db2.gz QGDLUALIIXKESQ-UKRRQHHQSA-N 2 0 281.444 1.585 20 30 CDEDRP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001753203522 1182238140 /nfs/dbraw/zinc/23/81/40/1182238140.db2.gz ZANQOAWKTPKIPX-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001752505118 1184872925 /nfs/dbraw/zinc/87/29/25/1184872925.db2.gz VLCQWOVBXZTMJF-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP CC#CC[NH2+][C@H](CNC(=O)CCC[NH+]1CCCC1)C1CC1 ZINC001752499801 1184873292 /nfs/dbraw/zinc/87/32/92/1184873292.db2.gz QAVWEIVPPHACJA-MRXNPFEDSA-N 2 0 291.439 1.370 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)CCCC[NH+](C)C)C1 ZINC001753319589 1185152891 /nfs/dbraw/zinc/15/28/91/1185152891.db2.gz IKKVDMBXNCWUMD-MRXNPFEDSA-N 2 0 293.455 1.664 20 30 CDEDRP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001753707534 1185310097 /nfs/dbraw/zinc/31/00/97/1185310097.db2.gz OFBKDGSNNKKOQO-CQSZACIVSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001753808159 1185341476 /nfs/dbraw/zinc/34/14/76/1185341476.db2.gz BMDYEAWRWDEDMP-GJZGRUSLSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001754178075 1185494726 /nfs/dbraw/zinc/49/47/26/1185494726.db2.gz IAZAZFZIOCGTBM-LFAOLKIESA-N 2 0 279.428 1.697 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001754348511 1185591377 /nfs/dbraw/zinc/59/13/77/1185591377.db2.gz JWASUGNHZGQVNL-CABCVRRESA-N 2 0 279.428 1.226 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001754599858 1185678776 /nfs/dbraw/zinc/67/87/76/1185678776.db2.gz VSBPWCISHFPNIQ-KGLIPLIRSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001754604579 1185679445 /nfs/dbraw/zinc/67/94/45/1185679445.db2.gz PLIZMPJRHTVICT-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP CC#CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001754675477 1185702685 /nfs/dbraw/zinc/70/26/85/1185702685.db2.gz QGAWYVQHSPIJIV-INIZCTEOSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001755314980 1185912216 /nfs/dbraw/zinc/91/22/16/1185912216.db2.gz ZQUAHMCBPRXGGN-CQSZACIVSA-N 2 0 281.444 1.731 20 30 CDEDRP CC#CC[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCCCC1 ZINC001755353744 1185926356 /nfs/dbraw/zinc/92/63/56/1185926356.db2.gz VRSNUSNRFLVQQQ-UHFFFAOYSA-N 2 0 293.455 1.760 20 30 CDEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)CC[N@@H+](C)CCC)C1 ZINC001755390212 1185938199 /nfs/dbraw/zinc/93/81/99/1185938199.db2.gz NFHXCZGRIRODHS-CQSZACIVSA-N 2 0 279.428 1.178 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001755477157 1185962654 /nfs/dbraw/zinc/96/26/54/1185962654.db2.gz KNANTYHGXGRPAZ-SHTZXODSSA-N 2 0 293.455 1.779 20 30 CDEDRP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001755526440 1185980136 /nfs/dbraw/zinc/98/01/36/1185980136.db2.gz IHHWZABUDWPZST-CVEARBPZSA-N 2 0 293.455 1.615 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001755735660 1186052986 /nfs/dbraw/zinc/05/29/86/1186052986.db2.gz LMNOFZHFYFCTBQ-GJZGRUSLSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001755848606 1186090103 /nfs/dbraw/zinc/09/01/03/1186090103.db2.gz VRXGRBFXSIJTIA-AWEZNQCLSA-N 2 0 281.444 1.731 20 30 CDEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191143453 1164380910 /nfs/dbraw/zinc/38/09/10/1164380910.db2.gz CIZSTOZKIILCME-OAHLLOKOSA-N 2 0 289.423 1.171 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114404863 1164841101 /nfs/dbraw/zinc/84/11/01/1164841101.db2.gz IQKZWFTWSBGYHY-WDNDVIMCSA-N 2 0 277.412 1.093 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N(CC)C1CC[NH2+]CC1 ZINC001342852968 963841031 /nfs/dbraw/zinc/84/10/31/963841031.db2.gz NCWWBDKKMYZAKQ-ZDUSSCGKSA-N 2 0 253.390 1.271 20 30 CDEDRP CC#CC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132107086 1163174867 /nfs/dbraw/zinc/17/48/67/1163174867.db2.gz XQQGSSBWZJGVMD-HUUCEWRRSA-N 2 0 291.439 1.463 20 30 CDEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001266439193 894897106 /nfs/dbraw/zinc/89/71/06/894897106.db2.gz JNAJIVUVUGWYEZ-GJZGRUSLSA-N 2 0 281.444 1.633 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176110552 913962439 /nfs/dbraw/zinc/96/24/39/913962439.db2.gz WURFKFGJRHWTHG-UHFFFAOYSA-N 2 0 253.390 1.144 20 30 CDEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176167314 913976515 /nfs/dbraw/zinc/97/65/15/913976515.db2.gz XSBLRAKOQIDNAZ-JKSUJKDBSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176185313 913983550 /nfs/dbraw/zinc/98/35/50/913983550.db2.gz WSJJWZHIBLYCLI-AWEZNQCLSA-N 2 0 279.428 1.533 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621347 914075137 /nfs/dbraw/zinc/07/51/37/914075137.db2.gz GUUWELNKTSNXHN-GDBMZVCRSA-N 2 0 291.439 1.036 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106665518 914115388 /nfs/dbraw/zinc/11/53/88/914115388.db2.gz ZRDWJUUPUKPPOZ-BZUAXINKSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106665377 914115738 /nfs/dbraw/zinc/11/57/38/914115738.db2.gz UMYNWKNCZIBGPJ-OWCLPIDISA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH2+]CCN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235422318 914216134 /nfs/dbraw/zinc/21/61/34/914216134.db2.gz BFABJNXJKWCZEM-GJZGRUSLSA-N 2 0 251.418 1.474 20 30 CDEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001104599634 898782182 /nfs/dbraw/zinc/78/21/82/898782182.db2.gz VCIVTXZYLZWMFC-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001104599874 898782585 /nfs/dbraw/zinc/78/25/85/898782585.db2.gz IRENBQYJWKCOBH-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176884961 914342095 /nfs/dbraw/zinc/34/20/95/914342095.db2.gz XGJHCWGIDDOKQG-UHFFFAOYSA-N 2 0 275.396 1.644 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001167736537 899624348 /nfs/dbraw/zinc/62/43/48/899624348.db2.gz DHMXFBKPTLWEDG-AWEZNQCLSA-N 2 0 279.428 1.390 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176972261 914409140 /nfs/dbraw/zinc/40/91/40/914409140.db2.gz SWZZGJJDAKBKQJ-AWEZNQCLSA-N 2 0 269.433 1.777 20 30 CDEDRP N#Cc1ncc(Cl)cc1NC(=[NH2+])NCCCC[NH3+] ZINC001167878474 901602471 /nfs/dbraw/zinc/60/24/71/901602471.db2.gz LTKYWCFFHSDTJS-UHFFFAOYSA-N 2 0 266.736 1.282 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001270259852 904485213 /nfs/dbraw/zinc/48/52/13/904485213.db2.gz WGMXAMVYOVJUSV-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001088327091 906903870 /nfs/dbraw/zinc/90/38/70/906903870.db2.gz FWKUGAAJUMDPNL-HNNXBMFYSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001189151728 921338320 /nfs/dbraw/zinc/33/83/20/921338320.db2.gz OUZPGOULDDSPEM-HRCADAONSA-N 2 0 293.455 1.826 20 30 CDEDRP C[NH+](C)C1CCC(NC(=[NH2+])c2ccc(C(N)=O)cc2)CC1 ZINC001168304000 908941257 /nfs/dbraw/zinc/94/12/57/908941257.db2.gz JAQIYMJDADYQHR-UHFFFAOYSA-N 2 0 288.395 1.364 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001168345768 909136231 /nfs/dbraw/zinc/13/62/31/909136231.db2.gz TYYKPZAQQIJJQW-HNNXBMFYSA-N 2 0 291.439 1.370 20 30 CDEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001171508213 910807956 /nfs/dbraw/zinc/80/79/56/910807956.db2.gz BRNOBIVWJDVWQS-LSDHHAIUSA-N 2 0 281.444 1.615 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001106903849 915054255 /nfs/dbraw/zinc/05/42/55/915054255.db2.gz MRLGJWHBMKSXPP-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)C1([NH+](C)C)CCC1 ZINC001178689503 915564942 /nfs/dbraw/zinc/56/49/42/915564942.db2.gz ZMDJZLPFGFDGBF-UHFFFAOYSA-N 2 0 279.428 1.370 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001179435489 915835719 /nfs/dbraw/zinc/83/57/19/915835719.db2.gz RUPFDVKVSBPMJI-KBPBESRZSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001097848768 936393818 /nfs/dbraw/zinc/39/38/18/936393818.db2.gz UFPDKTXGZUUJSK-JJXSEGSLSA-N 2 0 291.439 1.768 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107038652 917892254 /nfs/dbraw/zinc/89/22/54/917892254.db2.gz BUFAPZZMXGHHSI-ZIAGYGMSSA-N 2 0 267.417 1.197 20 30 CDEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001107598587 918472501 /nfs/dbraw/zinc/47/25/01/918472501.db2.gz LMFREXYRPPPHAP-NVXWUHKLSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCCC1 ZINC001115708000 918955637 /nfs/dbraw/zinc/95/56/37/918955637.db2.gz IOGQFUDYHHSSKZ-UHFFFAOYSA-N 2 0 281.444 1.923 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185084579 919416658 /nfs/dbraw/zinc/41/66/58/919416658.db2.gz KOAIUQPJIYHEIE-CABCVRRESA-N 2 0 279.428 1.036 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1C ZINC001185347704 919537255 /nfs/dbraw/zinc/53/72/55/919537255.db2.gz KNBXHTFGVXAEQW-HOTGVXAUSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161205687 936662762 /nfs/dbraw/zinc/66/27/62/936662762.db2.gz QZJREMPQBCBTAH-GDBMZVCRSA-N 2 0 277.412 1.128 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187825144 920664565 /nfs/dbraw/zinc/66/45/65/920664565.db2.gz FAVRHFQDYUYJQY-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187824890 920671074 /nfs/dbraw/zinc/67/10/74/920671074.db2.gz BOGFIVTYULJYFR-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190743927 922169686 /nfs/dbraw/zinc/16/96/86/922169686.db2.gz NSXVHLKQCPWTSM-HZPDHXFCSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190744618 922170345 /nfs/dbraw/zinc/17/03/45/922170345.db2.gz SWVOWEHWOFSVFK-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP C=C(C[NH+]1CCCCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001273144964 923295644 /nfs/dbraw/zinc/29/56/44/923295644.db2.gz AHMPZHDNFQKXTP-GASCZTMLSA-N 2 0 277.412 1.334 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001101031459 936953250 /nfs/dbraw/zinc/95/32/50/936953250.db2.gz DRIDTGVZGSWBBZ-UHFFFAOYSA-N 2 0 293.455 1.923 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC=C(C)C)CC1 ZINC001152330928 925113121 /nfs/dbraw/zinc/11/31/21/925113121.db2.gz XUACJHMXTSQDMV-UHFFFAOYSA-N 2 0 277.412 1.004 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001084404077 925253385 /nfs/dbraw/zinc/25/33/85/925253385.db2.gz RLXADLITMGYDDD-HUUCEWRRSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085092679 925647938 /nfs/dbraw/zinc/64/79/38/925647938.db2.gz LPTGUZBIFZSTNQ-KFWWJZLASA-N 2 0 277.412 1.047 20 30 CDEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102214707 937045061 /nfs/dbraw/zinc/04/50/61/937045061.db2.gz ATTGOFPYEURLJP-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330174 937053085 /nfs/dbraw/zinc/05/30/85/937053085.db2.gz HBGZYHVJEMJSEQ-BZUAXINKSA-N 2 0 293.455 1.280 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085593224 926191070 /nfs/dbraw/zinc/19/10/70/926191070.db2.gz FJFGEFXMTWMCRI-CVEARBPZSA-N 2 0 291.439 1.415 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001086186514 926803893 /nfs/dbraw/zinc/80/38/93/926803893.db2.gz BLVTZLMXRPDLFK-OTVXOJSOSA-N 2 0 279.428 1.389 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129327477 926809137 /nfs/dbraw/zinc/80/91/37/926809137.db2.gz ICGIMVJZESSPHE-HNNXBMFYSA-N 2 0 281.444 1.636 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001086221096 926853260 /nfs/dbraw/zinc/85/32/60/926853260.db2.gz GFTFVNHNQLNFOL-XUWVNRHRSA-N 2 0 289.423 1.121 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001490667073 927277321 /nfs/dbraw/zinc/27/73/21/927277321.db2.gz CRADDQXCVYOBGU-CYBMUJFWSA-N 2 0 299.846 1.708 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CCC)C1 ZINC001103663451 937150080 /nfs/dbraw/zinc/15/00/80/937150080.db2.gz BWFAEYVCTAYJKQ-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001151241750 937276747 /nfs/dbraw/zinc/27/67/47/937276747.db2.gz GUVMEJHLXFPKON-UHFFFAOYSA-N 2 0 289.379 1.170 20 30 CDEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001112285429 937292043 /nfs/dbraw/zinc/29/20/43/937292043.db2.gz XCQJKQNXUPENIU-ZOBUZTSGSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C[C@@](C)(O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001252557097 929237995 /nfs/dbraw/zinc/23/79/95/929237995.db2.gz HLIGUBFHQKSEMT-CQSZACIVSA-N 2 0 252.402 1.731 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CC ZINC001115081718 937323651 /nfs/dbraw/zinc/32/36/51/937323651.db2.gz WKMXKMRWIMVPQQ-FOLVSLTJSA-N 2 0 279.428 1.341 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001086557448 929405423 /nfs/dbraw/zinc/40/54/23/929405423.db2.gz OFPODQRZWHWXTI-JCNLHEQBSA-N 2 0 299.418 1.479 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001112922720 929572361 /nfs/dbraw/zinc/57/23/61/929572361.db2.gz RSLGUSINXCXWMS-INIZCTEOSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001112964872 929609388 /nfs/dbraw/zinc/60/93/88/929609388.db2.gz BGZHMPZPORZNPG-HNNXBMFYSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369880 929716913 /nfs/dbraw/zinc/71/69/13/929716913.db2.gz UFJLFRHPWNGNDD-HUUCEWRRSA-N 2 0 293.455 1.757 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC2CC(C)C2)CC1 ZINC001152330562 937354466 /nfs/dbraw/zinc/35/44/66/937354466.db2.gz RIZITGIGNJFBFH-UHFFFAOYSA-N 2 0 291.439 1.084 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)C[C@H](C)n1ccnc1 ZINC001134499084 929775066 /nfs/dbraw/zinc/77/50/66/929775066.db2.gz WCKKZNNGCWVEBO-LBPRGKRZSA-N 2 0 250.346 1.116 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994117 929989696 /nfs/dbraw/zinc/98/96/96/929989696.db2.gz OJEWRRABFDQMDD-UONOGXRCSA-N 2 0 298.390 1.844 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134993089 929990313 /nfs/dbraw/zinc/99/03/13/929990313.db2.gz DZIYZDSZYIJVTE-QWHCGFSZSA-N 2 0 284.363 1.454 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135316373 930150839 /nfs/dbraw/zinc/15/08/39/930150839.db2.gz VDXQPZQZDNUNIH-UONOGXRCSA-N 2 0 267.417 1.224 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135995677 930594101 /nfs/dbraw/zinc/59/41/01/930594101.db2.gz JGOMVESJBARAFY-LSDHHAIUSA-N 2 0 281.444 1.615 20 30 CDEDRP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001153720364 937463634 /nfs/dbraw/zinc/46/36/34/937463634.db2.gz FCKQFNHKBZCAOQ-HZPDHXFCSA-N 2 0 293.455 1.711 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930145 937483689 /nfs/dbraw/zinc/48/36/89/937483689.db2.gz GXGJWIOSGQXPPI-CABCVRRESA-N 2 0 281.444 1.423 20 30 CDEDRP CC=C(NC=[NH2+])NC(=[NH2+])c1ccc2ccccc2n1 ZINC001171039237 931376224 /nfs/dbraw/zinc/37/62/24/931376224.db2.gz BREVEFXJFKGGRI-XNJYKOPJSA-N 2 0 253.309 1.998 20 30 CDEDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cncc(C#N)c1 ZINC001144080721 931650632 /nfs/dbraw/zinc/65/06/32/931650632.db2.gz WRAFLUHUHDZWJL-DLBZAZTESA-N 2 0 299.422 1.163 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001091122717 931835246 /nfs/dbraw/zinc/83/52/46/931835246.db2.gz OCBRHGHKRHFBIX-UHFFFAOYSA-N 2 0 282.347 1.066 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001091198869 932000710 /nfs/dbraw/zinc/00/07/10/932000710.db2.gz YLTWELISOZPCCN-PCKAHOCUSA-N 2 0 293.455 1.779 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146533964 932262124 /nfs/dbraw/zinc/26/21/24/932262124.db2.gz IBQIATYYEQSKLQ-JKSUJKDBSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146537256 932262549 /nfs/dbraw/zinc/26/25/49/932262549.db2.gz YCBBGNAAMOPDKJ-GJZGRUSLSA-N 2 0 281.444 1.921 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146537213 932263075 /nfs/dbraw/zinc/26/30/75/932263075.db2.gz XHMOYXADKPECNI-HZPDHXFCSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171311098 932532830 /nfs/dbraw/zinc/53/28/30/932532830.db2.gz MPJSQMOIEFCLPY-AWEZNQCLSA-N 2 0 279.428 1.533 20 30 CDEDRP C[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)CN1CC[NH+](C)CC1 ZINC000924952690 932836079 /nfs/dbraw/zinc/83/60/79/932836079.db2.gz YQNSYJNTEPSDES-CABCVRRESA-N 2 0 280.460 1.788 20 30 CDEDRP C=CCCCCC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155814137 937676782 /nfs/dbraw/zinc/67/67/82/937676782.db2.gz WNBRBEABLBEHDN-OAHLLOKOSA-N 2 0 281.444 1.923 20 30 CDEDRP C#CCN(CC#C)c1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001157562469 938512143 /nfs/dbraw/zinc/51/21/43/938512143.db2.gz NAIINGBTDSLCQY-UHFFFAOYSA-N 2 0 268.364 1.082 20 30 CDEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001158487185 938628970 /nfs/dbraw/zinc/62/89/70/938628970.db2.gz WHNBFXVYXOHKIW-CVEARBPZSA-N 2 0 293.455 1.663 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001159327429 938721864 /nfs/dbraw/zinc/72/18/64/938721864.db2.gz JTQWBYXGFXHHDD-CYBMUJFWSA-N 2 0 287.835 1.709 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160274725 938778740 /nfs/dbraw/zinc/77/87/40/938778740.db2.gz WFBRWDXYSSAATK-OAHLLOKOSA-N 2 0 281.444 1.923 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160427515 938786178 /nfs/dbraw/zinc/78/61/78/938786178.db2.gz SLEOFNRLVPRQRF-AWEZNQCLSA-N 2 0 269.433 1.635 20 30 CDEDRP C#CC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001161207877 938879094 /nfs/dbraw/zinc/87/90/94/938879094.db2.gz XLQQGLBSNHUDJQ-HNNXBMFYSA-N 2 0 289.423 1.242 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001161564032 938913696 /nfs/dbraw/zinc/91/36/96/938913696.db2.gz PSFDKSRIJSGBHB-UHFFFAOYSA-N 2 0 284.363 1.376 20 30 CDEDRP C#CC[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161699567 938922459 /nfs/dbraw/zinc/92/24/59/938922459.db2.gz VCAXJZRSVWADRT-INIZCTEOSA-N 2 0 289.423 1.100 20 30 CDEDRP N#Cc1cc(Cl)cc(NCCC[NH2+]CCCC[NH3+])n1 ZINC001162290513 938972428 /nfs/dbraw/zinc/97/24/28/938972428.db2.gz XUPKRFBZUVXRJM-UHFFFAOYSA-N 2 0 281.791 1.737 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163224333 939229080 /nfs/dbraw/zinc/22/90/80/939229080.db2.gz SZABOZPPPHJTEF-HNNXBMFYSA-N 2 0 279.428 1.533 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001163822208 939338183 /nfs/dbraw/zinc/33/81/83/939338183.db2.gz VOVKYVGTVZISHW-ZDUSSCGKSA-N 2 0 265.401 1.143 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001163819840 939338263 /nfs/dbraw/zinc/33/82/63/939338263.db2.gz AWIBBRRWHIJGAO-AWEZNQCLSA-N 2 0 279.428 1.533 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001164576731 939495360 /nfs/dbraw/zinc/49/53/60/939495360.db2.gz YBBRISNOQQMPEX-HUUCEWRRSA-N 2 0 293.455 1.779 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001166173391 939596605 /nfs/dbraw/zinc/59/66/05/939596605.db2.gz KPSNKQUWSFWEDK-UHFFFAOYSA-N 2 0 296.374 1.457 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001203852435 939707653 /nfs/dbraw/zinc/70/76/53/939707653.db2.gz BXVGLJSEBAHRLG-HUUCEWRRSA-N 2 0 291.439 1.463 20 30 CDEDRP C#Cc1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001205688820 939920392 /nfs/dbraw/zinc/92/03/92/939920392.db2.gz KEQBTJZNQLFSPL-MRXNPFEDSA-N 2 0 258.365 1.344 20 30 CDEDRP C=CCn1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC001206004533 939966507 /nfs/dbraw/zinc/96/65/07/939966507.db2.gz SXTIOSKZSGMFBL-HIFRSBDPSA-N 2 0 262.401 1.876 20 30 CDEDRP C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207437283 940195575 /nfs/dbraw/zinc/19/55/75/940195575.db2.gz SBOONIBJBUXWSI-SJORKVTESA-N 2 0 294.439 1.812 20 30 CDEDRP C=CCCC[NH+]1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001209162129 940441969 /nfs/dbraw/zinc/44/19/69/940441969.db2.gz RNWVJFKAOUDTBL-HZPDHXFCSA-N 2 0 282.428 1.622 20 30 CDEDRP C#CCCC[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001209266353 940454975 /nfs/dbraw/zinc/45/49/75/940454975.db2.gz NSYQRXXQRORUHQ-UHFFFAOYSA-N 2 0 264.413 1.975 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211089962 940730118 /nfs/dbraw/zinc/73/01/18/940730118.db2.gz DFNFDEXZEHWIOK-OAHLLOKOSA-N 2 0 279.428 1.629 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211229147 940740314 /nfs/dbraw/zinc/74/03/14/940740314.db2.gz PCLHKYXSIHZWKO-HNNXBMFYSA-N 2 0 277.412 1.076 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001215298730 940870928 /nfs/dbraw/zinc/87/09/28/940870928.db2.gz FGVFTZRTIUAGBY-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP N#Cc1cccc(CCC[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222085936 941561745 /nfs/dbraw/zinc/56/17/45/941561745.db2.gz POJPLWNYUSUEGT-UHFFFAOYSA-N 2 0 298.434 1.518 20 30 CDEDRP Cn1cc(C[NH+]2CCC(F)(C[NH3+])CC2)cc1C#N ZINC001222532625 941608980 /nfs/dbraw/zinc/60/89/80/941608980.db2.gz OBDXJUIRBOIXFD-UHFFFAOYSA-N 2 0 250.321 1.160 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001224538632 941766709 /nfs/dbraw/zinc/76/67/09/941766709.db2.gz YMOYYBOUVJFQRE-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)C[NH+](CC)CC)CC1 ZINC001224910652 941804620 /nfs/dbraw/zinc/80/46/20/941804620.db2.gz CHHNUPCBMLFTAK-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001227620103 942197934 /nfs/dbraw/zinc/19/79/34/942197934.db2.gz ZITPKMZPCHKQLH-HNNXBMFYSA-N 2 0 297.418 1.270 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001227628502 942199215 /nfs/dbraw/zinc/19/92/15/942199215.db2.gz BMCLSVCWGYODHL-CQSZACIVSA-N 2 0 285.407 1.433 20 30 CDEDRP C=C(Cl)CN1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001227979440 942251113 /nfs/dbraw/zinc/25/11/13/942251113.db2.gz GTUSAGAZELOQCI-CYBMUJFWSA-N 2 0 287.835 1.660 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228904447 942390800 /nfs/dbraw/zinc/39/08/00/942390800.db2.gz GORNJCOHNABIAS-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001229186466 942430073 /nfs/dbraw/zinc/43/00/73/942430073.db2.gz WOYGVRHSXIATHX-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230048550 942579462 /nfs/dbraw/zinc/57/94/62/942579462.db2.gz HCLXGSFJIANRLG-UHFFFAOYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001230101356 942584394 /nfs/dbraw/zinc/58/43/94/942584394.db2.gz JOFKSWOXFSUTPV-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](CCCCC#N)[C@@H]2C1 ZINC001277951670 944190166 /nfs/dbraw/zinc/19/01/66/944190166.db2.gz MHCCAANVEXXORB-LSDHHAIUSA-N 2 0 264.417 1.248 20 30 CDEDRP Cc1cc(C#N)ccc1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001236000381 944368130 /nfs/dbraw/zinc/36/81/30/944368130.db2.gz UULZOLVHLBAUNS-XYPWUTKMSA-N 2 0 271.364 1.272 20 30 CDEDRP C=CCCCCCC[C@H](O)C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246047175 947914724 /nfs/dbraw/zinc/91/47/24/947914724.db2.gz PXMNMLPXJUOEKY-TVXGVJEUSA-N 2 0 296.455 1.779 20 30 CDEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H]1CCC[N@@H+](C)C1 ZINC001255480781 947933587 /nfs/dbraw/zinc/93/35/87/947933587.db2.gz ZRESUUUUOOPCNZ-MRXNPFEDSA-N 3 0 274.412 1.748 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH3+])C1CCC(C#N)CC1 ZINC001256958572 948463979 /nfs/dbraw/zinc/46/39/79/948463979.db2.gz HXEVXEQXQLPZHZ-UHFFFAOYSA-N 2 0 266.433 1.671 20 30 CDEDRP N#CC1CCC([NH2+]CC2CC[NH+](C3COC3)CC2)CC1 ZINC001256963152 948464794 /nfs/dbraw/zinc/46/47/94/948464794.db2.gz CZGCJWCYZAQUMX-UHFFFAOYSA-N 2 0 277.412 1.769 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001252482678 951344554 /nfs/dbraw/zinc/34/45/54/951344554.db2.gz NHJHNSYAAIPPQP-BZUAXINKSA-N 2 0 284.444 1.508 20 30 CDEDRP C=C[C@H](O)C[NH+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001253576798 951962670 /nfs/dbraw/zinc/96/26/70/951962670.db2.gz HUMAHFQQKOTQJU-BZSNNMDCSA-N 2 0 286.419 1.906 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001340709342 963083313 /nfs/dbraw/zinc/08/33/13/963083313.db2.gz OADKIFKCKCMXKL-ZNMIVQPWSA-N 2 0 279.428 1.803 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC001340805813 963133269 /nfs/dbraw/zinc/13/32/69/963133269.db2.gz AVYXULYSABPHOC-ZIAGYGMSSA-N 2 0 267.417 1.661 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC001341453092 963419730 /nfs/dbraw/zinc/41/97/30/963419730.db2.gz VXSAOFSGSFWDPO-QWHCGFSZSA-N 2 0 253.390 1.126 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC001341746713 963526689 /nfs/dbraw/zinc/52/66/89/963526689.db2.gz BAODSESFSIPMDY-CQSZACIVSA-N 2 0 291.399 1.430 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001343303363 963947687 /nfs/dbraw/zinc/94/76/87/963947687.db2.gz WGMIQNKOLOQZOD-QWHCGFSZSA-N 2 0 253.390 1.271 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)C(C)C ZINC001348836784 966200062 /nfs/dbraw/zinc/20/00/62/966200062.db2.gz GCQAMINATJQELJ-CAOSSQGBSA-N 2 0 291.439 1.409 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001100668843 968910109 /nfs/dbraw/zinc/91/01/09/968910109.db2.gz IOZHIOPJJWPBEV-NRXISQOPSA-N 2 0 281.444 1.777 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001100680719 968937409 /nfs/dbraw/zinc/93/74/09/968937409.db2.gz AYMPFQMUERTHIJ-UHFFFAOYSA-N 2 0 291.439 1.226 20 30 CDEDRP C=C(Cl)CN(C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001401374561 975627713 /nfs/dbraw/zinc/62/77/13/975627713.db2.gz ANFNMBUZMWUYCP-ZDUSSCGKSA-N 2 0 287.835 1.613 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001382130534 977180306 /nfs/dbraw/zinc/18/03/06/977180306.db2.gz XQULGBOUFDVJBD-CHWSQXEVSA-N 2 0 289.851 1.762 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132794827 1163482967 /nfs/dbraw/zinc/48/29/67/1163482967.db2.gz HFZMXGXPGUHWET-INIZCTEOSA-N 2 0 291.439 1.513 20 30 CDEDRP CC[NH+](CC)CCOCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442846324 362095861 /nfs/dbraw/zinc/09/58/61/362095861.db2.gz YXBWVYUIHCNTMV-KBPBESRZSA-N 2 0 253.390 1.627 20 30 CDEDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000619672059 349847415 /nfs/dbraw/zinc/84/74/15/349847415.db2.gz WJPVDYDKUYLEPR-UONOGXRCSA-N 2 0 264.417 1.294 20 30 CDEDRP C[C@H](CCC#N)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000602485264 344449061 /nfs/dbraw/zinc/44/90/61/344449061.db2.gz WZQNLSLFCDBESX-BRWVUGGUSA-N 2 0 292.471 1.884 20 30 CDEDRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@H](C)CCC#N)CC1 ZINC000602515919 344451679 /nfs/dbraw/zinc/45/16/79/344451679.db2.gz TUTAZTZSRROHEX-HUUCEWRRSA-N 2 0 266.433 1.542 20 30 CDEDRP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCCN1CCCO ZINC000602672751 344522756 /nfs/dbraw/zinc/52/27/56/344522756.db2.gz HQNYRFQCJPOQKN-KBPBESRZSA-N 2 0 253.390 1.363 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000449122484 362626292 /nfs/dbraw/zinc/62/62/92/362626292.db2.gz LJZRRICWSOSJKJ-AWEZNQCLSA-N 2 0 281.444 1.777 20 30 CDEDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602570169 350126621 /nfs/dbraw/zinc/12/66/21/350126621.db2.gz WAWPNTJYYRAUJW-UHFFFAOYSA-N 2 0 288.395 1.278 20 30 CDEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C)C2)cc1OC ZINC000264071004 362958387 /nfs/dbraw/zinc/95/83/87/362958387.db2.gz DDUHTEABDZKICS-NSHDSACASA-N 2 0 292.383 1.382 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)cc1 ZINC000264115249 362970673 /nfs/dbraw/zinc/97/06/73/362970673.db2.gz PPQBPUMVPCWBQZ-AWEZNQCLSA-N 2 0 290.411 1.584 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1c[nH]nc1C ZINC000264112067 362970793 /nfs/dbraw/zinc/97/07/93/362970793.db2.gz PAYHLDJCTMWXJK-AWEZNQCLSA-N 2 0 292.431 1.039 20 30 CDEDRP C=CCOCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000348043380 359793978 /nfs/dbraw/zinc/79/39/78/359793978.db2.gz GVMFCLWQFPEHQC-IAGOWNOFSA-N 2 0 295.471 1.537 20 30 CDEDRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000135672710 359867887 /nfs/dbraw/zinc/86/78/87/359867887.db2.gz DKWVUOCHEKPDMN-UHFFFAOYSA-N 2 0 278.425 1.347 20 30 CDEDRP C=CCN1CC[C@H](N2CC[C@@H](C[N@@H+](C)CC)C2)C1=O ZINC000337187051 360030189 /nfs/dbraw/zinc/03/01/89/360030189.db2.gz PHRLECFPXUCGNB-KBPBESRZSA-N 2 0 265.401 1.047 20 30 CDEDRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000271851319 296119409 /nfs/dbraw/zinc/11/94/09/296119409.db2.gz IPWAJQPBVRSSPC-CYBMUJFWSA-N 2 0 273.380 1.666 20 30 CDEDRP C[C@@H]1C[NH+]=C(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)N1 ZINC000262644053 370440495 /nfs/dbraw/zinc/44/04/95/370440495.db2.gz IOCUTQOLZUHGKR-GDBMZVCRSA-N 2 0 286.423 1.978 20 30 CDEDRP CCN1CC[NH+](CCCC[NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000573558582 371579619 /nfs/dbraw/zinc/57/96/19/371579619.db2.gz WFYDHSCBEQNZKM-INIZCTEOSA-N 2 0 291.443 1.437 20 30 CDEDRP C[C@H](C[NH2+]Cc1cc(C#N)cs1)CN1CC[NH+](C)CC1 ZINC000177696388 372109537 /nfs/dbraw/zinc/10/95/37/372109537.db2.gz VXWSPLUXKOOPBF-CYBMUJFWSA-N 2 0 292.452 1.593 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCCC[NH2+]C(C)C)CC1 ZINC000583312015 373706359 /nfs/dbraw/zinc/70/63/59/373706359.db2.gz QUTDKNNXTYSHMJ-UHFFFAOYSA-N 2 0 282.432 1.324 20 30 CDEDRP Cn1cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1C#N ZINC000292828958 374310498 /nfs/dbraw/zinc/31/04/98/374310498.db2.gz QXXVEPNWZMHVKG-HNNXBMFYSA-N 2 0 258.369 1.424 20 30 CDEDRP C=C[C@@H](CO)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000289873339 378350583 /nfs/dbraw/zinc/35/05/83/378350583.db2.gz RPKWUOOTQMEBQS-ZFWWWQNUSA-N 2 0 278.396 1.825 20 30 CDEDRP N#Cc1ccc(CNC2CC[NH+](C[C@H]3CCOC3)CC2)o1 ZINC000174409124 379473469 /nfs/dbraw/zinc/47/34/69/379473469.db2.gz HESCDYZQLMVIHZ-CYBMUJFWSA-N 2 0 289.379 1.742 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)C#N ZINC000347140343 285246077 /nfs/dbraw/zinc/24/60/77/285246077.db2.gz SQJHDONJYDLHFD-UONOGXRCSA-N 2 0 280.416 1.021 20 30 CDEDRP CC[C@H](C)NC(=[NH2+])NCC(C)(C)[NH+]1CCCCC1 ZINC000058326861 390499146 /nfs/dbraw/zinc/49/91/46/390499146.db2.gz QGYYFUJEQGTNGP-LBPRGKRZSA-N 2 0 254.422 1.954 20 30 CDEDRP C[NH+](C)CCNC(=O)C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000345710038 391311423 /nfs/dbraw/zinc/31/14/23/391311423.db2.gz CLPNWZJMZZHABZ-UHFFFAOYSA-N 2 0 294.443 1.316 20 30 CDEDRP C[C@H]1C[NH+]=C(NCc2ccccc2OCC[NH+](C)C)N1 ZINC000262477781 391791070 /nfs/dbraw/zinc/79/10/70/391791070.db2.gz CJPPVHPNPKHDKE-LBPRGKRZSA-N 2 0 276.384 1.064 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCCc2ccc(OCC[NH+](C)C)cc2)N1 ZINC000262690080 391813469 /nfs/dbraw/zinc/81/34/69/391813469.db2.gz ZYPGDUBOQREOJX-CYBMUJFWSA-N 2 0 290.411 1.107 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCc2ccc(OCCC[NH+](C)C)cc2)N1 ZINC000285062071 263089911 /nfs/dbraw/zinc/08/99/11/263089911.db2.gz LWSBCWMGUVFIGQ-CYBMUJFWSA-N 2 0 290.411 1.454 20 30 CDEDRP C=CCC[C@H](C)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414970367 263171736 /nfs/dbraw/zinc/17/17/36/263171736.db2.gz HIUHBKHXTBBTEL-NWDGAFQWSA-N 2 0 279.350 1.767 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCSC(C)(C)C1 ZINC000126637944 264216975 /nfs/dbraw/zinc/21/69/75/264216975.db2.gz JSKCWIPGJSEPIA-LBPRGKRZSA-N 2 0 284.473 1.341 20 30 CDEDRP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001669909783 1173629973 /nfs/dbraw/zinc/62/99/73/1173629973.db2.gz JHHMYDWHPFKUIK-UONOGXRCSA-N 2 0 269.433 1.729 20 30 CDEDRP CC(C)(C)NC(=[NH2+])NCC(C)(C)C[NH+]1CCCC1 ZINC000262398535 330012720 /nfs/dbraw/zinc/01/27/20/330012720.db2.gz QTVLLKCVERFYGS-UHFFFAOYSA-N 2 0 254.422 1.811 20 30 CDEDRP C[C@@H]1C[NH+]=C(NC[C@@H](C2CCCCC2)[NH+](C)C)N1 ZINC000262634366 330023762 /nfs/dbraw/zinc/02/37/62/330023762.db2.gz GJRLQXXIWKKORK-YPMHNXCESA-N 2 0 252.406 1.434 20 30 CDEDRP [NH2+]=C(NC[C@H]1CCCC[N@@H+]1C1CC1)NC1CCCC1 ZINC000262714168 330028415 /nfs/dbraw/zinc/02/84/15/330028415.db2.gz DDHXRULCFIGZPH-CQSZACIVSA-N 2 0 264.417 1.850 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCC1CC[NH+](C2CC2)CC1 ZINC000262809968 330033289 /nfs/dbraw/zinc/03/32/89/330033289.db2.gz UEJRPABWMSZAGS-UHFFFAOYSA-N 2 0 250.390 1.341 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@]1(C)C(C)C ZINC000263072302 330042207 /nfs/dbraw/zinc/04/22/07/330042207.db2.gz GWFZXJUUICTGOW-UMVBOHGHSA-N 2 0 266.433 1.810 20 30 CDEDRP C=CCNC(=O)CNCc1[nH+]c(C(C)C)n2ccccc12 ZINC000574993936 330126042 /nfs/dbraw/zinc/12/60/42/330126042.db2.gz HHRYKIGMEARROR-UHFFFAOYSA-N 2 0 286.379 1.850 20 30 CDEDRP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C[NH+]1CCCCC1 ZINC000424126448 330259052 /nfs/dbraw/zinc/25/90/52/330259052.db2.gz BTFRJHWZROWLET-KBPBESRZSA-N 2 0 280.416 1.246 20 30 CDEDRP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424138414 330276498 /nfs/dbraw/zinc/27/64/98/330276498.db2.gz QHFXAOOORPUJJW-OAHLLOKOSA-N 2 0 288.395 1.386 20 30 CDEDRP C#CCN(C)CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000328127066 330322534 /nfs/dbraw/zinc/32/25/34/330322534.db2.gz UROSGSGKOUYDKR-RRFJBIMHSA-N 2 0 251.418 1.260 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000490781172 332115524 /nfs/dbraw/zinc/11/55/24/332115524.db2.gz XWKSEONQBMZLPO-HOTGVXAUSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000491306318 332186411 /nfs/dbraw/zinc/18/64/11/332186411.db2.gz MKUJASIYYVMWKZ-ZDUSSCGKSA-N 2 0 267.417 1.224 20 30 CDEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000577099031 335299758 /nfs/dbraw/zinc/29/97/58/335299758.db2.gz SJIKYCWYPKLHIT-CVEARBPZSA-N 2 0 291.443 1.293 20 30 CDEDRP C#CCN(C)CCC[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000380867830 336037800 /nfs/dbraw/zinc/03/78/00/336037800.db2.gz XRETXFWPLKQYMH-OAHLLOKOSA-N 2 0 282.334 1.543 20 30 CDEDRP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001752811852 1160494250 /nfs/dbraw/zinc/49/42/50/1160494250.db2.gz DTEIXQZCIUVPTD-JKSUJKDBSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000730275908 574907348 /nfs/dbraw/zinc/90/73/48/574907348.db2.gz BIGRSJWBMVXVDR-XHSDSOJGSA-N 2 0 291.439 1.463 20 30 CDEDRP CCCNC(=[NH2+])NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000303906878 678625673 /nfs/dbraw/zinc/62/56/73/678625673.db2.gz WMWLSCLTQBXZLT-ZDUSSCGKSA-N 2 0 254.422 1.955 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000971539668 613079996 /nfs/dbraw/zinc/07/99/96/613079996.db2.gz NDTWLNPPHXORBU-OAHLLOKOSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC)C2)CC1 ZINC000981539871 613131013 /nfs/dbraw/zinc/13/10/13/613131013.db2.gz ACRKBHYMLDNTMV-HZPDHXFCSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969115419 613148492 /nfs/dbraw/zinc/14/84/92/613148492.db2.gz PJBFWOKEXWYXRG-HNNXBMFYSA-N 2 0 289.423 1.076 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000961775411 613279736 /nfs/dbraw/zinc/27/97/36/613279736.db2.gz VATMYUKDVIHFHR-LJIGWXMPSA-N 2 0 291.439 1.483 20 30 CDEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000971688515 613283581 /nfs/dbraw/zinc/28/35/81/613283581.db2.gz WKKYDENUZHLPQY-OAHLLOKOSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000971641024 613284592 /nfs/dbraw/zinc/28/45/92/613284592.db2.gz KOTSTMHYGWPROS-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[N@H+]1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000982086311 613308623 /nfs/dbraw/zinc/30/86/23/613308623.db2.gz HMOZKDTYFQPKIA-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000969074576 613348570 /nfs/dbraw/zinc/34/85/70/613348570.db2.gz JODPGZBIRNOZAJ-CHWSQXEVSA-N 2 0 253.390 1.093 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000971737473 613616426 /nfs/dbraw/zinc/61/64/26/613616426.db2.gz WYQHMPKKNJRCPY-KGLIPLIRSA-N 2 0 267.417 1.291 20 30 CDEDRP C=CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000981176207 613694350 /nfs/dbraw/zinc/69/43/50/613694350.db2.gz PIRMTCZZEHZSTC-HNNXBMFYSA-N 2 0 277.412 1.049 20 30 CDEDRP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948388586 613704828 /nfs/dbraw/zinc/70/48/28/613704828.db2.gz JCYDGGUMQSMMHL-OWCLPIDISA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1occc1C[NH+](C)C ZINC000961618690 613844660 /nfs/dbraw/zinc/84/46/60/613844660.db2.gz VJMWSIOIXGMUFK-WDNDVIMCSA-N 2 0 289.379 1.187 20 30 CDEDRP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000981194388 613871375 /nfs/dbraw/zinc/87/13/75/613871375.db2.gz LFTKZAQEJGQLCC-LSDHHAIUSA-N 2 0 291.439 1.818 20 30 CDEDRP C[C@@H]1C[C@H](NCc2cnc3c(C#N)cnn3c2)CC[N@@H+]1C ZINC000515060493 618569857 /nfs/dbraw/zinc/56/98/57/618569857.db2.gz MCSXHBFALJQHMD-BXUZGUMPSA-N 2 0 284.367 1.173 20 30 CDEDRP C=CC1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903728655 626066653 /nfs/dbraw/zinc/06/66/53/626066653.db2.gz DCKZHCIZXFQAFS-HUUCEWRRSA-N 2 0 250.386 1.653 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@]1(C)CCCO1 ZINC000154554142 632292517 /nfs/dbraw/zinc/29/25/17/632292517.db2.gz YVDGTCLEJXWVPB-BBRMVZONSA-N 2 0 294.443 1.205 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000998762439 679499947 /nfs/dbraw/zinc/49/99/47/679499947.db2.gz FLBCQINFHHYMFH-NRXISQOPSA-N 2 0 277.412 1.071 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001014628567 677709885 /nfs/dbraw/zinc/70/98/85/677709885.db2.gz IYDGYHBCXZYDRU-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031669655 677715737 /nfs/dbraw/zinc/71/57/37/677715737.db2.gz QHYSOAOOAGKFTJ-JKSUJKDBSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001033127554 677864671 /nfs/dbraw/zinc/86/46/71/677864671.db2.gz VUMKJSYITYLGHV-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001034735422 677897440 /nfs/dbraw/zinc/89/74/40/677897440.db2.gz GXCCUPNKOQLULU-RBSFLKMASA-N 2 0 277.412 1.121 20 30 CDEDRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H](O)CC#N)cc1 ZINC000930117501 678008913 /nfs/dbraw/zinc/00/89/13/678008913.db2.gz OPDGNHOPZPCBHZ-OAHLLOKOSA-N 2 0 261.369 1.455 20 30 CDEDRP C[NH+](C)Cc1cccc(CNC(=[NH2+])NC[C@H]2CCCO2)c1 ZINC000161496486 678036962 /nfs/dbraw/zinc/03/69/62/678036962.db2.gz BEXMVNGYWDISNR-OAHLLOKOSA-N 2 0 290.411 1.332 20 30 CDEDRP C[C@H](CNC(=[NH2+])NCC1CCC1)C[NH+]1CCCC1 ZINC000303886891 678078474 /nfs/dbraw/zinc/07/84/74/678078474.db2.gz OCUPVJRLLYAGND-GFCCVEGCSA-N 2 0 252.406 1.423 20 30 CDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(C[NH3+])cc1)C2 ZINC000884253459 678105579 /nfs/dbraw/zinc/10/55/79/678105579.db2.gz KSUZAMJXEAXFLS-UYJPIKCFSA-N 2 0 284.363 1.223 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994255182 678109090 /nfs/dbraw/zinc/10/90/90/678109090.db2.gz PSLPBSQJQFYGCW-GJZGRUSLSA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000262021283 678124673 /nfs/dbraw/zinc/12/46/73/678124673.db2.gz XYJSODOXIXDSLE-STQMWFEESA-N 2 0 252.406 1.730 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CCC(C[NH2+]C(C)C)CC1 ZINC000997832418 678132480 /nfs/dbraw/zinc/13/24/80/678132480.db2.gz RYUHYUOWQOWAQB-INIZCTEOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855285869 678140746 /nfs/dbraw/zinc/14/07/46/678140746.db2.gz IXMXLVFIDXHRTQ-LBPRGKRZSA-N 2 0 253.390 1.093 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001018967367 678161714 /nfs/dbraw/zinc/16/17/14/678161714.db2.gz BPQZGKCKPNJPED-GOEBONIOSA-N 2 0 289.423 1.217 20 30 CDEDRP C=CCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000883186048 678199113 /nfs/dbraw/zinc/19/91/13/678199113.db2.gz JOWHRJMVMJRSDG-IKGGRYGDSA-N 2 0 295.471 1.726 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001022807096 678210234 /nfs/dbraw/zinc/21/02/34/678210234.db2.gz DPBKZZBITOROKB-SOUVJXGZSA-N 2 0 277.412 1.121 20 30 CDEDRP C#CCN1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001009642885 679674863 /nfs/dbraw/zinc/67/48/63/679674863.db2.gz LRKKQPQUSJINCA-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000999505280 679683494 /nfs/dbraw/zinc/68/34/94/679683494.db2.gz JGOZTKZDEZZTFZ-GPANFISMSA-N 2 0 291.439 1.462 20 30 CDEDRP CC[NH+]=C(NC[C@H]1CC[N@H+](CC)C1)NC(C)(C)C ZINC000103895528 677735639 /nfs/dbraw/zinc/73/56/39/677735639.db2.gz JXXDCTCFLIEBMI-GFCCVEGCSA-N 2 0 254.422 1.682 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001022837362 677745281 /nfs/dbraw/zinc/74/52/81/677745281.db2.gz WHHXOBYPTLMBAT-XGUBFFRZSA-N 2 0 277.412 1.426 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001034735860 677753465 /nfs/dbraw/zinc/75/34/65/677753465.db2.gz OCGHVPHGOWNMOU-RBSFLKMASA-N 2 0 279.428 1.674 20 30 CDEDRP C#CCCOC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000858930514 677795865 /nfs/dbraw/zinc/79/58/65/677795865.db2.gz MDMGWMYKEBFQDN-HNNXBMFYSA-N 2 0 295.427 1.494 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](C(C)C)C2)CC1 ZINC001046850516 678049142 /nfs/dbraw/zinc/04/91/42/678049142.db2.gz VKXRKFYBEJARII-QGZVFWFLSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001033416077 678133822 /nfs/dbraw/zinc/13/38/22/678133822.db2.gz NAEBPJPEQNAIIF-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCC1 ZINC000886019423 678206219 /nfs/dbraw/zinc/20/62/19/678206219.db2.gz UDBRQTGWJLSIKJ-JKSUJKDBSA-N 2 0 291.439 1.849 20 30 CDEDRP CC(C)C[C@H](CNC(=[NH2+])N1CCOCC1)[NH+]1CCCC1 ZINC000303769084 678263255 /nfs/dbraw/zinc/26/32/55/678263255.db2.gz ATRBYQCBCXJDRY-CQSZACIVSA-N 2 0 282.432 1.144 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028117253 678276494 /nfs/dbraw/zinc/27/64/94/678276494.db2.gz OLOMBHVTHLYPSY-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001018838071 678282554 /nfs/dbraw/zinc/28/25/54/678282554.db2.gz UFGGUOPZXWXFHV-LSDHHAIUSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001028097740 678309297 /nfs/dbraw/zinc/30/92/97/678309297.db2.gz DFLKEOFSRXAABT-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997191986 678330383 /nfs/dbraw/zinc/33/03/83/678330383.db2.gz ICOGULPKFLZWTN-UHFFFAOYSA-N 2 0 297.830 1.415 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOC(F)F ZINC000193284020 678336567 /nfs/dbraw/zinc/33/65/67/678336567.db2.gz ROCFOCVGEPLASI-SNVBAGLBSA-N 2 0 278.347 1.004 20 30 CDEDRP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001026464487 678405619 /nfs/dbraw/zinc/40/56/19/678405619.db2.gz IYJPERVALQGTOI-RUXDESIVSA-N 2 0 265.401 1.284 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001022646078 678507149 /nfs/dbraw/zinc/50/71/49/678507149.db2.gz ACRANFLLLZNHBN-OKILXGFUSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014729566 678507212 /nfs/dbraw/zinc/50/72/12/678507212.db2.gz SFMOJMOZVWKTRG-CABCVRRESA-N 2 0 279.428 1.626 20 30 CDEDRP C[C@H](CNC(=[NH2+])N1CCSCC1)C[NH+]1CCCC1 ZINC000303869307 678539198 /nfs/dbraw/zinc/53/91/98/678539198.db2.gz DVINRAJPGIZJTL-GFCCVEGCSA-N 2 0 270.446 1.082 20 30 CDEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001000516937 678563463 /nfs/dbraw/zinc/56/34/63/678563463.db2.gz CKZNLOJNKWKMTC-OAHLLOKOSA-N 2 0 277.412 1.405 20 30 CDEDRP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033098941 678586849 /nfs/dbraw/zinc/58/68/49/678586849.db2.gz LFGCQTQNNCDFBY-HRCADAONSA-N 2 0 291.439 1.273 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025520158 678613801 /nfs/dbraw/zinc/61/38/01/678613801.db2.gz BFXOFDKOURSALQ-HOCLYGCPSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027998077 678614512 /nfs/dbraw/zinc/61/45/12/678614512.db2.gz VICMBJMHLMPIAH-AWEZNQCLSA-N 2 0 277.412 1.381 20 30 CDEDRP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001023446833 678657744 /nfs/dbraw/zinc/65/77/44/678657744.db2.gz YZOANTYDXGUHKW-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025525589 678673492 /nfs/dbraw/zinc/67/34/92/678673492.db2.gz QBWFNHQMGSFPNY-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430762 678679682 /nfs/dbraw/zinc/67/96/82/678679682.db2.gz GLVAHFHAWJQCCC-OWCLPIDISA-N 2 0 291.439 1.459 20 30 CDEDRP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034487604 678704670 /nfs/dbraw/zinc/70/46/70/678704670.db2.gz PGNFKXMZCCZYPG-HNNXBMFYSA-N 2 0 291.439 1.629 20 30 CDEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])N2CCC[C@@H](C)C2)CC1 ZINC000303870928 678708058 /nfs/dbraw/zinc/70/80/58/678708058.db2.gz BLRXTSKLEYGSFK-HUUCEWRRSA-N 2 0 295.475 1.059 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001003310345 678711154 /nfs/dbraw/zinc/71/11/54/678711154.db2.gz OAIGFNZDHFUDQB-UHFFFAOYSA-N 2 0 296.374 1.552 20 30 CDEDRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000818981730 678742556 /nfs/dbraw/zinc/74/25/56/678742556.db2.gz XVAXWKKZNVJLPF-NVXWUHKLSA-N 2 0 287.407 1.913 20 30 CDEDRP COCC[N@H+](C)CCCNC(=[NH2+])N1CCCCCC1 ZINC000305040265 678756347 /nfs/dbraw/zinc/75/63/47/678756347.db2.gz COGVSZIYOQWJNU-UHFFFAOYSA-N 2 0 270.421 1.145 20 30 CDEDRP C=CC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001034398074 678760408 /nfs/dbraw/zinc/76/04/08/678760408.db2.gz MACHYFSSAASIDL-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001004210492 678794169 /nfs/dbraw/zinc/79/41/69/678794169.db2.gz WFXFSFAXYAOTGA-INIZCTEOSA-N 2 0 291.439 1.465 20 30 CDEDRP CCC(CC)[C@@H](CNC(=[NH2+])N[C@H](C)COC)[NH+]1CCCC1 ZINC000303776658 678847456 /nfs/dbraw/zinc/84/74/56/678847456.db2.gz HYIMGGBZSULSLE-UKRRQHHQSA-N 2 0 298.475 1.826 20 30 CDEDRP C[NH+]=C(NC[C@@H](C1CCCCC1)[NH+](C)C)NC1CC1 ZINC000103338394 678892540 /nfs/dbraw/zinc/89/25/40/678892540.db2.gz LXMQPXXLNPRAHN-AWEZNQCLSA-N 2 0 266.433 1.824 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001004209817 678892581 /nfs/dbraw/zinc/89/25/81/678892581.db2.gz VVPPZQPNDHHJAV-UHFFFAOYSA-N 2 0 299.418 1.576 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015597137 678939769 /nfs/dbraw/zinc/93/97/69/678939769.db2.gz NGFQLJJKCIJVHY-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001023446421 678945336 /nfs/dbraw/zinc/94/53/36/678945336.db2.gz PIIKMHMJAZLWIP-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049729463 678947378 /nfs/dbraw/zinc/94/73/78/678947378.db2.gz VRVJEPJPMYDKNI-ZNMIVQPWSA-N 2 0 277.412 1.025 20 30 CDEDRP C#CCC[N@H+]1CC=C(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001116866 678958912 /nfs/dbraw/zinc/95/89/12/678958912.db2.gz MASVBSPOBZYYHH-UHFFFAOYSA-N 2 0 289.423 1.100 20 30 CDEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001005994886 678982441 /nfs/dbraw/zinc/98/24/41/678982441.db2.gz DOLNOQKCFKFIBB-HOCLYGCPSA-N 2 0 291.439 1.130 20 30 CDEDRP C=CC[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034492352 678983653 /nfs/dbraw/zinc/98/36/53/678983653.db2.gz NETYMHJXEXMTJC-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001167232715 1158545911 /nfs/dbraw/zinc/54/59/11/1158545911.db2.gz NOGBDKHRFBWOGY-HNNXBMFYSA-N 2 0 293.455 1.780 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC)CC1 ZINC001032800743 679000771 /nfs/dbraw/zinc/00/07/71/679000771.db2.gz XRMXXGYECCWMRU-HOTGVXAUSA-N 2 0 289.423 1.027 20 30 CDEDRP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001033686350 679007684 /nfs/dbraw/zinc/00/76/84/679007684.db2.gz PFRNRPDXGOSSMR-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CCC[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034386325 679013257 /nfs/dbraw/zinc/01/32/57/679013257.db2.gz QWQOWNOXRBNDCI-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000987192049 679022002 /nfs/dbraw/zinc/02/20/02/679022002.db2.gz OGPZHSVXWMOLMR-PBHICJAKSA-N 2 0 299.418 1.574 20 30 CDEDRP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049699331 679040177 /nfs/dbraw/zinc/04/01/77/679040177.db2.gz YUZPDVZHEUYCNI-HRCADAONSA-N 2 0 291.439 1.271 20 30 CDEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC000985674772 679063427 /nfs/dbraw/zinc/06/34/27/679063427.db2.gz ILZUAXPIPCWQBN-UHFFFAOYSA-N 2 0 296.802 1.628 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033199283 679064716 /nfs/dbraw/zinc/06/47/16/679064716.db2.gz PUUGHWUOKBOOPI-CABCVRRESA-N 2 0 277.412 1.027 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001007368762 679080560 /nfs/dbraw/zinc/08/05/60/679080560.db2.gz KNCQDGRQSLNBLQ-SOUVJXGZSA-N 2 0 279.428 1.483 20 30 CDEDRP C[C@H](CC(C)(C)C#N)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000924967241 679080615 /nfs/dbraw/zinc/08/06/15/679080615.db2.gz VVSWBKKINMNMTH-OAHLLOKOSA-N 2 0 280.460 1.932 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996299941 679120431 /nfs/dbraw/zinc/12/04/31/679120431.db2.gz HDCKINABNVCWGE-UONOGXRCSA-N 2 0 279.428 1.341 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC(=C)C)C1 ZINC001033159881 679142499 /nfs/dbraw/zinc/14/24/99/679142499.db2.gz AXBOHNWYGJFDIQ-HOTGVXAUSA-N 2 0 289.423 1.193 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033080569 679142615 /nfs/dbraw/zinc/14/26/15/679142615.db2.gz FSCHYQPJKWBMDQ-HZPDHXFCSA-N 2 0 291.439 1.415 20 30 CDEDRP C[C@H](C[NH+]=C(N(C)C)N(C)C)C[NH+]1CCCCC1 ZINC000104176384 679153085 /nfs/dbraw/zinc/15/30/85/679153085.db2.gz JHRANTBMGZGNJD-CYBMUJFWSA-N 2 0 254.422 1.588 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(C2CC2)CCC1 ZINC000130660776 679171616 /nfs/dbraw/zinc/17/16/16/679171616.db2.gz LAQZUCAIPHEGIU-AWEZNQCLSA-N 2 0 278.444 1.955 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000305004771 679194996 /nfs/dbraw/zinc/19/49/96/679194996.db2.gz IJAZXBYBTWSLIB-CYBMUJFWSA-N 2 0 252.406 1.445 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049728955 679198261 /nfs/dbraw/zinc/19/82/61/679198261.db2.gz SIWOTVVXVRUFGC-RRFJBIMHSA-N 2 0 279.428 1.578 20 30 CDEDRP CCN(CC)C(=[NH2+])NCCC[NH+]1CCCCCC1 ZINC000303787086 679220924 /nfs/dbraw/zinc/22/09/24/679220924.db2.gz SBMJIRBBGFWCOZ-UHFFFAOYSA-N 2 0 254.422 1.909 20 30 CDEDRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000923422821 679355969 /nfs/dbraw/zinc/35/59/69/679355969.db2.gz SSBKPCPAVINTJW-MGPQQGTHSA-N 2 0 259.353 1.307 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000996996327 679380403 /nfs/dbraw/zinc/38/04/03/679380403.db2.gz XZPRQHBDJIRLRC-CYBMUJFWSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014698603 679421410 /nfs/dbraw/zinc/42/14/10/679421410.db2.gz AFFTZECNVDCPAE-JKSUJKDBSA-N 2 0 293.455 1.731 20 30 CDEDRP CCC[NH+](CCC)CCCNC(=[NH2+])N1CCOCC1 ZINC000303897397 679443666 /nfs/dbraw/zinc/44/36/66/679443666.db2.gz VBGDHHHFFDSBNF-UHFFFAOYSA-N 2 0 270.421 1.145 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001074561645 679447137 /nfs/dbraw/zinc/44/71/37/679447137.db2.gz IPQIHDDYRNGJPP-RWMBFGLXSA-N 2 0 285.819 1.412 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033472074 679466051 /nfs/dbraw/zinc/46/60/51/679466051.db2.gz RLSBTMBRGXUPQC-OAHLLOKOSA-N 2 0 279.428 1.437 20 30 CDEDRP C[NH+]=C(NCC[N@H+](C)C(C)C)N1CCSC(C)(C)C1 ZINC000261970083 679473499 /nfs/dbraw/zinc/47/34/99/679473499.db2.gz QEVGECAGDYMEKR-UHFFFAOYSA-N 2 0 286.489 1.729 20 30 CDEDRP C#CCC[N@H+]1CCCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000989728163 679478061 /nfs/dbraw/zinc/47/80/61/679478061.db2.gz CZVSQWJOBHTPSU-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049552376 679523759 /nfs/dbraw/zinc/52/37/59/679523759.db2.gz URKYDJGFTGGNTK-BZUAXINKSA-N 2 0 291.439 1.415 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999352199 679553133 /nfs/dbraw/zinc/55/31/33/679553133.db2.gz JAJPLALRUBSZJW-CVEARBPZSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040528472 679569441 /nfs/dbraw/zinc/56/94/41/679569441.db2.gz LQOOYCQPTSUCJS-DOTOQJQBSA-N 2 0 291.439 1.439 20 30 CDEDRP CCCCNC(=[NH2+])NCCCCC[NH+]1CCCC1 ZINC000137620419 679614391 /nfs/dbraw/zinc/61/43/91/679614391.db2.gz CXIZCGKOGBUDEK-UHFFFAOYSA-N 2 0 254.422 1.957 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001014936900 679641236 /nfs/dbraw/zinc/64/12/36/679641236.db2.gz GMMWCUSIQNIVQF-LBPRGKRZSA-N 2 0 270.336 1.553 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001000593340 679646316 /nfs/dbraw/zinc/64/63/16/679646316.db2.gz LNLMZZKXDYRJME-MRXNPFEDSA-N 2 0 291.439 1.321 20 30 CDEDRP CCCNC(=[NH2+])NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000104168584 679656443 /nfs/dbraw/zinc/65/64/43/679656443.db2.gz BMWOEIAXHKNKJY-STQMWFEESA-N 2 0 254.422 1.669 20 30 CDEDRP C#CC[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001754417507 1159205838 /nfs/dbraw/zinc/20/58/38/1159205838.db2.gz ZYPHRWGVEMQHFS-OAHLLOKOSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001754690454 1159424562 /nfs/dbraw/zinc/42/45/62/1159424562.db2.gz NNXNGEUGZNUKSJ-ZFWWWQNUSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001113629453 1162243630 /nfs/dbraw/zinc/24/36/30/1162243630.db2.gz IZBSJQKHJBKBKW-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001113629677 1162243805 /nfs/dbraw/zinc/24/38/05/1162243805.db2.gz SQQRTESSITWYFY-CQSZACIVSA-N 2 0 265.401 1.049 20 30 CDEDRP C#CCC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132268673 1163221453 /nfs/dbraw/zinc/22/14/53/1163221453.db2.gz AJUQLFSILNKZOH-HUUCEWRRSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001132738519 1163460001 /nfs/dbraw/zinc/46/00/01/1163460001.db2.gz GQGURJJWTQMYJQ-CQSZACIVSA-N 2 0 267.417 1.390 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132849038 1163493853 /nfs/dbraw/zinc/49/38/53/1163493853.db2.gz ZLJRSBRWRBHOFF-HUUCEWRRSA-N 2 0 297.443 1.156 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001133181874 1163597642 /nfs/dbraw/zinc/59/76/42/1163597642.db2.gz KEXKYOXAUIAEGK-HOTGVXAUSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001133253464 1163619531 /nfs/dbraw/zinc/61/95/31/1163619531.db2.gz IAECZVJAZITQBK-HOTGVXAUSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001114414477 1164921178 /nfs/dbraw/zinc/92/11/78/1164921178.db2.gz VCDVOIXNZYAVTL-QLPKVWCKSA-N 2 0 291.439 1.483 20 30 CDEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001097101174 1166965493 /nfs/dbraw/zinc/96/54/93/1166965493.db2.gz HEXDXLXTIQEITM-QCODTGAPSA-N 2 0 291.439 1.624 20 30 CDEDRP CC#CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001574973400 1171071217 /nfs/dbraw/zinc/07/12/17/1171071217.db2.gz VGSXFOFNYGZPLZ-IAGOWNOFSA-N 2 0 299.418 1.508 20 30 CDEDRP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001700754321 1177115190 /nfs/dbraw/zinc/11/51/90/1177115190.db2.gz QEHXCPWPSFMJBL-STQMWFEESA-N 2 0 255.406 1.195 20 30 CDEDRP C=CC[NH2+]CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000220636746 1177913091 /nfs/dbraw/zinc/91/30/91/1177913091.db2.gz GAVPBEJXCLSYBI-MRXNPFEDSA-N 2 0 259.397 1.751 20 30 CDEDRP C=CC[NH2+]CC1(NC(=O)[C@H](CC)[NH+](C)C)CCCC1 ZINC001715101347 1179551048 /nfs/dbraw/zinc/55/10/48/1179551048.db2.gz GPNRDESYFLYTJL-ZDUSSCGKSA-N 2 0 267.417 1.531 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001752629193 1184885268 /nfs/dbraw/zinc/88/52/68/1184885268.db2.gz SDVHNHBEJWRQOS-JYJNAYRXSA-N 2 0 291.439 1.531 20 30 CDEDRP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001752980064 1184982660 /nfs/dbraw/zinc/98/26/60/1184982660.db2.gz IWGIROISXQKVIV-LSDHHAIUSA-N 2 0 281.444 1.921 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CC=C)CC1 ZINC001753020429 1184998669 /nfs/dbraw/zinc/99/86/69/1184998669.db2.gz NRAYOVHQKYZKNF-CQSZACIVSA-N 2 0 277.412 1.002 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001753111420 1185066512 /nfs/dbraw/zinc/06/65/12/1185066512.db2.gz IFTNIYHEMFEJRG-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)CC[NH+]1CC(NC(=O)CCc2cncn2C)C1 ZINC001753392588 1185182603 /nfs/dbraw/zinc/18/26/03/1185182603.db2.gz QOERUDIDUMZZNY-UHFFFAOYSA-N 2 0 276.384 1.119 20 30 CDEDRP C#CC[N@@H+](C)CCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001753863425 1185369774 /nfs/dbraw/zinc/36/97/74/1185369774.db2.gz WZSGZRMEFHCLNE-MRXNPFEDSA-N 2 0 297.418 1.222 20 30 CDEDRP C#CCC[NH2+]CCN(CC)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001754085271 1185453810 /nfs/dbraw/zinc/45/38/10/1185453810.db2.gz XBCOIDYXNYMYAR-INIZCTEOSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CCCC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001754241510 1185526728 /nfs/dbraw/zinc/52/67/28/1185526728.db2.gz KEIMCHHCBXDMAO-CYBMUJFWSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CCC[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001754443804 1185620276 /nfs/dbraw/zinc/62/02/76/1185620276.db2.gz FDCLQYVNURYXJH-JKSUJKDBSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001754601625 1185679557 /nfs/dbraw/zinc/67/95/57/1185679557.db2.gz RXZLMWBPGVIVHY-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001754874533 1185754614 /nfs/dbraw/zinc/75/46/14/1185754614.db2.gz BWVNTGOMZXFAAP-JKSUJKDBSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001755388927 1185938425 /nfs/dbraw/zinc/93/84/25/1185938425.db2.gz MAVPUDRLEXAWSN-KBPBESRZSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001755416321 1185945402 /nfs/dbraw/zinc/94/54/02/1185945402.db2.gz RBKYROWMLZJIJB-ZDUSSCGKSA-N 2 0 267.417 1.339 20 30 CDEDRP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001755819309 1186079328 /nfs/dbraw/zinc/07/93/28/1186079328.db2.gz AVRPQPZRPLMWDT-KBPBESRZSA-N 2 0 281.444 1.777 20 30 CDEDRP N#Cc1cccc([C@H](O)C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000402137932 1186437677 /nfs/dbraw/zinc/43/76/77/1186437677.db2.gz JMKKJAYFFUEKDM-DZGCQCFKSA-N 2 0 259.353 1.262 20 30 CDEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C[NH+](CC)CC ZINC001114352521 1164497620 /nfs/dbraw/zinc/49/76/20/1164497620.db2.gz BTLXLBOKOJQNKB-BARDWOONSA-N 2 0 297.418 1.289 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001114463854 1165192881 /nfs/dbraw/zinc/19/28/81/1165192881.db2.gz MMVUDUZLUZCKAX-BARDWOONSA-N 2 0 279.428 1.339 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC001574902539 1167642729 /nfs/dbraw/zinc/64/27/29/1167642729.db2.gz CBQJKROCPMIZAT-UKRRQHHQSA-N 2 0 265.401 1.271 20 30 CDEDRP C=CCOC1CCC(NC(=[NH2+])NCC[NH+](CC)CC)CC1 ZINC001173319289 912455723 /nfs/dbraw/zinc/45/57/23/912455723.db2.gz CXXQFTSTQMDWAM-UHFFFAOYSA-N 2 0 296.459 1.956 20 30 CDEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175042958 913442484 /nfs/dbraw/zinc/44/24/84/913442484.db2.gz YHRLDOBUTWYYPF-AWEZNQCLSA-N 2 0 281.444 1.779 20 30 CDEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001175302474 913528818 /nfs/dbraw/zinc/52/88/18/913528818.db2.gz BRNOBIVWJDVWQS-GJZGRUSLSA-N 2 0 281.444 1.615 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001167225419 894908744 /nfs/dbraw/zinc/90/87/44/894908744.db2.gz UUAXLXYOJYSCBF-OAHLLOKOSA-N 2 0 293.455 1.923 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267068492 896681176 /nfs/dbraw/zinc/68/11/76/896681176.db2.gz YAWVHNBHAJGEFN-KGLIPLIRSA-N 2 0 267.417 1.197 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216384083 896774004 /nfs/dbraw/zinc/77/40/04/896774004.db2.gz XDYYOTDHJLDVSX-RBSFLKMASA-N 2 0 279.428 1.341 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001022720941 896816716 /nfs/dbraw/zinc/81/67/16/896816716.db2.gz NASNOUKMRFUCCU-CALCHBBNSA-N 2 0 299.418 1.274 20 30 CDEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176592091 914171896 /nfs/dbraw/zinc/17/18/96/914171896.db2.gz VPMVHEXIWJVGAE-OAHLLOKOSA-N 2 0 281.444 1.923 20 30 CDEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023490307 897594084 /nfs/dbraw/zinc/59/40/84/897594084.db2.gz WZMRLKCPKUJWKL-CQSZACIVSA-N 2 0 296.374 1.409 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001111949321 898338211 /nfs/dbraw/zinc/33/82/11/898338211.db2.gz YXTFKSPOCZBQLS-RDJZCZTQSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104625407 898810095 /nfs/dbraw/zinc/81/00/95/898810095.db2.gz LDPSQVFJXYEJOD-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP N#Cc1cc([N+](=O)[O-])ccc1NC(=[NH2+])NCCCC[NH3+] ZINC001167882711 901638954 /nfs/dbraw/zinc/63/89/54/901638954.db2.gz WENWJQIMIRJNDH-UHFFFAOYSA-N 2 0 276.300 1.142 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001225245999 902515698 /nfs/dbraw/zinc/51/56/98/902515698.db2.gz ZDXKOZGHWMUTLA-UHFFFAOYSA-N 2 0 293.455 1.570 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127480096 914748756 /nfs/dbraw/zinc/74/87/56/914748756.db2.gz IMTHMMQEDRFDCU-HIFRSBDPSA-N 2 0 279.428 1.389 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001106898792 914868756 /nfs/dbraw/zinc/86/87/56/914868756.db2.gz QTAWEUXUVBOZAJ-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001088811168 909517469 /nfs/dbraw/zinc/51/74/69/909517469.db2.gz OQTRBRSUQHQBPB-PMPSAXMXSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1C ZINC001088817008 909613112 /nfs/dbraw/zinc/61/31/12/909613112.db2.gz XYRYXUYFZNUTTJ-FZKCQIBNSA-N 2 0 293.455 1.872 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001171669050 910875347 /nfs/dbraw/zinc/87/53/47/910875347.db2.gz QYOMTDMSGXXGDD-OAHLLOKOSA-N 2 0 291.439 1.513 20 30 CDEDRP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189870978 921683144 /nfs/dbraw/zinc/68/31/44/921683144.db2.gz FUYRFTREISGZPV-JKSUJKDBSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001179983151 916104325 /nfs/dbraw/zinc/10/43/25/916104325.db2.gz MSXWWMFVZQIABC-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001180208497 916196392 /nfs/dbraw/zinc/19/63/92/916196392.db2.gz ZZAKTVRJKGQIIY-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2ccnc2)[C@H]1C ZINC001180280153 916250065 /nfs/dbraw/zinc/25/00/65/916250065.db2.gz VCFHKGFNDREELS-KKUMJFAQSA-N 2 0 290.411 1.817 20 30 CDEDRP N#CC1(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])CCCCC1 ZINC001181365336 917022739 /nfs/dbraw/zinc/02/27/39/917022739.db2.gz CTLGQDBJZMVWAD-UHFFFAOYSA-N 2 0 279.388 1.312 20 30 CDEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001097848689 936393919 /nfs/dbraw/zinc/39/39/19/936393919.db2.gz RPGNCMWLXVGZMF-JJXSEGSLSA-N 2 0 291.439 1.768 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001000387598 936529655 /nfs/dbraw/zinc/52/96/55/936529655.db2.gz GZLXHMCQTNBDOU-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001202862433 936563968 /nfs/dbraw/zinc/56/39/68/936563968.db2.gz BJUWCRKSBAYAFQ-CYBMUJFWSA-N 2 0 290.411 1.745 20 30 CDEDRP C=CCCC[NH+]1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001273487210 919173465 /nfs/dbraw/zinc/17/34/65/919173465.db2.gz FNQYPNCRSOHSFK-OAHLLOKOSA-N 2 0 293.455 1.733 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001184628802 919219884 /nfs/dbraw/zinc/21/98/84/919219884.db2.gz QSPZREVLFUPDDL-OAHLLOKOSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1C ZINC001185357703 919543423 /nfs/dbraw/zinc/54/34/23/919543423.db2.gz DSOZMXFVTNMPMR-JKSUJKDBSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001185536738 919665677 /nfs/dbraw/zinc/66/56/77/919665677.db2.gz OXWJNBWNZAYENJ-GJZGRUSLSA-N 2 0 281.444 1.588 20 30 CDEDRP C#CC[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033550064 922257220 /nfs/dbraw/zinc/25/72/20/922257220.db2.gz FARSCBKNXWSYIE-INIZCTEOSA-N 2 0 291.439 1.273 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192386528 923049463 /nfs/dbraw/zinc/04/94/63/923049463.db2.gz QDSQALDPZWRYCL-CABCVRRESA-N 2 0 281.444 1.826 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193290641 923591700 /nfs/dbraw/zinc/59/17/00/923591700.db2.gz CPTDRQNBKQMOLM-CYBMUJFWSA-N 2 0 253.390 1.047 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194229379 924107535 /nfs/dbraw/zinc/10/75/35/924107535.db2.gz WVZYHYHQICKMML-INIZCTEOSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194246926 924131771 /nfs/dbraw/zinc/13/17/71/924131771.db2.gz SZPIHHRSQFXQBR-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CCOc1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001205662925 924185297 /nfs/dbraw/zinc/18/52/97/924185297.db2.gz FTFZGCQRSGMOGU-QGZVFWFLSA-N 2 0 290.407 1.927 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001079489636 924339306 /nfs/dbraw/zinc/33/93/06/924339306.db2.gz IFPLJRZFTPUQSD-MCIONIFRSA-N 2 0 265.401 1.093 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001079730678 924414165 /nfs/dbraw/zinc/41/41/65/924414165.db2.gz IUISIKLLIRXQLS-QKPAOTATSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101418386 936971297 /nfs/dbraw/zinc/97/12/97/936971297.db2.gz PETSGWWGQNKYAK-ZBFHGGJFSA-N 2 0 279.428 1.295 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001084409715 925254901 /nfs/dbraw/zinc/25/49/01/925254901.db2.gz FJNGEEYLIYCLAH-GDBMZVCRSA-N 2 0 291.439 1.580 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)c1ccccc1C[NH+](C)C ZINC001152383550 925302513 /nfs/dbraw/zinc/30/25/13/925302513.db2.gz GAXNXTWIPKLHFB-UHFFFAOYSA-N 2 0 275.396 1.644 20 30 CDEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152392903 925317947 /nfs/dbraw/zinc/31/79/47/925317947.db2.gz YFJHCKONENEIHY-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102355203 937054738 /nfs/dbraw/zinc/05/47/38/937054738.db2.gz UFDZNNKFQYKYSD-OAGGEKHMSA-N 2 0 293.455 1.424 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001201037113 926190927 /nfs/dbraw/zinc/19/09/27/926190927.db2.gz CYMKLCYGNKJWAZ-UHFFFAOYSA-N 2 0 277.412 1.075 20 30 CDEDRP C#Cc1nccnc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201650939 926373222 /nfs/dbraw/zinc/37/32/22/926373222.db2.gz KADAPTXQDYTHCS-UHFFFAOYSA-N 2 0 294.362 1.348 20 30 CDEDRP C#CCN1CC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085901761 926489074 /nfs/dbraw/zinc/48/90/74/926489074.db2.gz MDPPRQAFWHONQG-INIZCTEOSA-N 2 0 291.439 1.273 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085973030 926563308 /nfs/dbraw/zinc/56/33/08/926563308.db2.gz NFQCVRWCTMXEMP-UONOGXRCSA-N 2 0 265.401 1.047 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001086402419 927079390 /nfs/dbraw/zinc/07/93/90/927079390.db2.gz SKENYTKSZQCNJF-KKUMJFAQSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109405988 928923891 /nfs/dbraw/zinc/92/38/91/928923891.db2.gz JSARKHPCWKRYSP-UGUYLWEFSA-N 2 0 291.439 1.624 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115291830 937344996 /nfs/dbraw/zinc/34/49/96/937344996.db2.gz HWSLYKZRSICFGZ-QLPKVWCKSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152392518 937358640 /nfs/dbraw/zinc/35/86/40/937358640.db2.gz OIKYUYLACNXYOW-KGLIPLIRSA-N 2 0 267.417 1.483 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001152459140 937364254 /nfs/dbraw/zinc/36/42/54/937364254.db2.gz ZPFDCVSZGSEUHY-CQSZACIVSA-N 2 0 267.417 1.533 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299335 930135782 /nfs/dbraw/zinc/13/57/82/930135782.db2.gz WENWRYSONOYJJA-CHWSQXEVSA-N 2 0 267.417 1.387 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135308009 930140162 /nfs/dbraw/zinc/14/01/62/930140162.db2.gz MQAPPKNLOSVECI-QWHCGFSZSA-N 2 0 291.395 1.461 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]cnc1C ZINC001136036872 930614743 /nfs/dbraw/zinc/61/47/43/930614743.db2.gz ZKEFXBUFJSSRIM-VXGBXAGGSA-N 2 0 278.400 1.710 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]cnc1C ZINC001136036878 930614973 /nfs/dbraw/zinc/61/49/73/930614973.db2.gz ZMOKDDRQNCZXKV-NWDGAFQWSA-N 2 0 276.384 1.157 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153828363 937475146 /nfs/dbraw/zinc/47/51/46/937475146.db2.gz KQJOYPFFBFHVDF-CQSZACIVSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146593860 932269561 /nfs/dbraw/zinc/26/95/61/932269561.db2.gz QSOKIXCZZDHLAJ-KGLIPLIRSA-N 2 0 267.417 1.223 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146593001 932270641 /nfs/dbraw/zinc/27/06/41/932270641.db2.gz LRXDDKZMMOBFFR-QWHCGFSZSA-N 2 0 289.851 1.952 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001154836990 937593822 /nfs/dbraw/zinc/59/38/22/937593822.db2.gz GWKPBAUTFJSQOC-HUUCEWRRSA-N 2 0 297.443 1.108 20 30 CDEDRP C=CC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001147349315 932478255 /nfs/dbraw/zinc/47/82/55/932478255.db2.gz NGCAONVXBXDISW-CQSZACIVSA-N 2 0 267.417 1.533 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161043117 932539096 /nfs/dbraw/zinc/53/90/96/932539096.db2.gz XZWMBLLBGRHEKY-ZDUSSCGKSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148215888 932669130 /nfs/dbraw/zinc/66/91/30/932669130.db2.gz INYXOPJWXLJHBO-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001171362172 932863315 /nfs/dbraw/zinc/86/33/15/932863315.db2.gz KHTWOLYMVKWRNA-UHFFFAOYSA-N 2 0 290.411 1.823 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](CC)CC ZINC001155900555 937686218 /nfs/dbraw/zinc/68/62/18/937686218.db2.gz YROWMBKVNXOROV-CQSZACIVSA-N 2 0 269.433 1.731 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)C[N@@H+](C)CCC)CCCCC1 ZINC001120045655 937776308 /nfs/dbraw/zinc/77/63/08/937776308.db2.gz BYBGRBOQQMMMDI-UHFFFAOYSA-N 2 0 279.428 1.370 20 30 CDEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778147 934962601 /nfs/dbraw/zinc/96/26/01/934962601.db2.gz FUBOERLSYCOGNY-NYTXWWLZSA-N 2 0 279.428 1.339 20 30 CDEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001114841055 935015322 /nfs/dbraw/zinc/01/53/22/935015322.db2.gz QUHDLCDWQKQRBF-NHAGDIPZSA-N 2 0 279.428 1.197 20 30 CDEDRP CNC(NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)=[NH+]C ZINC000303256656 935023593 /nfs/dbraw/zinc/02/35/93/935023593.db2.gz ILOAZVSALAINGM-VXGBXAGGSA-N 2 0 254.422 1.538 20 30 CDEDRP CC(C)[NH+](CCC[NH+]=C(N(C)C)N(C)C)C(C)C ZINC000304794848 935087952 /nfs/dbraw/zinc/08/79/52/935087952.db2.gz MBSKKMSEMHOTRG-UHFFFAOYSA-N 2 0 256.438 1.975 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001096012162 935878739 /nfs/dbraw/zinc/87/87/39/935878739.db2.gz NUGMZRCDJNNVJB-KBXIAJHMSA-N 2 0 277.412 1.378 20 30 CDEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001096538307 936149237 /nfs/dbraw/zinc/14/92/37/936149237.db2.gz FEVLCCLWTACSHV-KBXIAJHMSA-N 2 0 277.412 1.236 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC001121995429 937897619 /nfs/dbraw/zinc/89/76/19/937897619.db2.gz UMGGQKFLPMABGE-CRWXNKLISA-N 2 0 267.417 1.502 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109440 938455241 /nfs/dbraw/zinc/45/52/41/938455241.db2.gz NZNBYIALOHNFKL-CVEARBPZSA-N 2 0 293.455 1.711 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158196318 938593542 /nfs/dbraw/zinc/59/35/42/938593542.db2.gz LGTGKLMMRXDCPU-CQSZACIVSA-N 2 0 265.401 1.000 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NCCC[NH2+]CCCCCC ZINC001160209475 938775275 /nfs/dbraw/zinc/77/52/75/938775275.db2.gz MHHMMFPJUXDSPH-INIZCTEOSA-N 2 0 293.455 1.760 20 30 CDEDRP N#CCN(Cc1ccccc1)C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001160669838 938811397 /nfs/dbraw/zinc/81/13/97/938811397.db2.gz NFCMISGVSGQSBD-HNNXBMFYSA-N 2 0 288.395 1.385 20 30 CDEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001161240314 938882278 /nfs/dbraw/zinc/88/22/78/938882278.db2.gz SEZBSAPCBYQCNF-INIZCTEOSA-N 2 0 291.439 1.488 20 30 CDEDRP Cc1nc(NCCC[NH2+]CCCC[NH3+])ccc1C#N ZINC001162293339 938972232 /nfs/dbraw/zinc/97/22/32/938972232.db2.gz XSXHSAWXOHUTLT-UHFFFAOYSA-N 2 0 261.373 1.392 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001163291034 939241285 /nfs/dbraw/zinc/24/12/85/939241285.db2.gz YHVOEBMQWROAKY-UHFFFAOYSA-N 2 0 279.428 1.370 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)c1occc1C[NH+](C)C ZINC001165246123 939532567 /nfs/dbraw/zinc/53/25/67/939532567.db2.gz LIXACXXAAYNIPH-UHFFFAOYSA-N 2 0 265.357 1.237 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001165718293 939575607 /nfs/dbraw/zinc/57/56/07/939575607.db2.gz HWSOIJJFDKUEQC-CQSZACIVSA-N 2 0 281.444 1.779 20 30 CDEDRP C[NH+](C)CCC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001165794229 939577521 /nfs/dbraw/zinc/57/75/21/939577521.db2.gz NMMHTKXPLUZJBB-UHFFFAOYSA-N 2 0 288.395 1.106 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166677843 939625784 /nfs/dbraw/zinc/62/57/84/939625784.db2.gz OGGOYERNJGLMMD-AWEZNQCLSA-N 2 0 267.417 1.390 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203523293 939690788 /nfs/dbraw/zinc/69/07/88/939690788.db2.gz QEEYNJZLHZIFDU-LSDHHAIUSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001204797991 939792054 /nfs/dbraw/zinc/79/20/54/939792054.db2.gz CUOBVLZCWPOUTB-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205241327 939841051 /nfs/dbraw/zinc/84/10/51/939841051.db2.gz AKGPCCAESCOLGG-INIZCTEOSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001206302339 940013283 /nfs/dbraw/zinc/01/32/83/940013283.db2.gz WPSVHPDICRRGNJ-HNNXBMFYSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001209691780 940626685 /nfs/dbraw/zinc/62/66/85/940626685.db2.gz YHYOOTORNWCGJR-HNNXBMFYSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210674201 940705133 /nfs/dbraw/zinc/70/51/33/940705133.db2.gz ORGPANLLPDFRNJ-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215396985 940883735 /nfs/dbraw/zinc/88/37/35/940883735.db2.gz MYBRWSMLVPBMHB-FXUDXRNXSA-N 2 0 293.455 1.729 20 30 CDEDRP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000402191828 940890533 /nfs/dbraw/zinc/89/05/33/940890533.db2.gz AZPJLPZNDWYYIY-GOEBONIOSA-N 2 0 273.380 1.652 20 30 CDEDRP C#CC[C@]1(C(=O)NCc2ccc3c(c2)CC[NH2+]C3)CCC[NH2+]1 ZINC001219705255 941382360 /nfs/dbraw/zinc/38/23/60/941382360.db2.gz FJPZKMDQDVWTTO-GOSISDBHSA-N 2 0 297.402 1.094 20 30 CDEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221776881 941550017 /nfs/dbraw/zinc/55/00/17/941550017.db2.gz ICDSLXYNPYSNLA-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001223465453 941679201 /nfs/dbraw/zinc/67/92/01/941679201.db2.gz HQQDFFAZNHMLCT-HNNXBMFYSA-N 2 0 279.428 1.341 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001227620106 942198278 /nfs/dbraw/zinc/19/82/78/942198278.db2.gz ZITPKMZPCHKQLH-OAHLLOKOSA-N 2 0 297.418 1.270 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001227877400 942240454 /nfs/dbraw/zinc/24/04/54/942240454.db2.gz REKDBQMJNFKZQU-MRXNPFEDSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CCC ZINC001229853342 942541806 /nfs/dbraw/zinc/54/18/06/942541806.db2.gz RHNWZBHIIRZZNM-HUUCEWRRSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230262896 942597121 /nfs/dbraw/zinc/59/71/21/942597121.db2.gz XIWRBLNTIRHTAO-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230591814 942651202 /nfs/dbraw/zinc/65/12/02/942651202.db2.gz KGPPSURCTINRJT-MRXNPFEDSA-N 2 0 291.439 1.274 20 30 CDEDRP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001282833999 942756028 /nfs/dbraw/zinc/75/60/28/942756028.db2.gz SATDHXBSGHVVJZ-LSDHHAIUSA-N 2 0 293.455 1.423 20 30 CDEDRP C[NH+](C)C1CCC([NH2+]Cc2cncc(C#N)c2)CC1 ZINC000721598263 942805212 /nfs/dbraw/zinc/80/52/12/942805212.db2.gz RKADKUMYKAHSPE-UHFFFAOYSA-N 2 0 258.369 1.916 20 30 CDEDRP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](CCCC#N)C2 ZINC001277945075 944154609 /nfs/dbraw/zinc/15/46/09/944154609.db2.gz LJSSFDJBSFYYSB-INIZCTEOSA-N 2 0 278.444 1.640 20 30 CDEDRP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001266149486 944716079 /nfs/dbraw/zinc/71/60/79/944716079.db2.gz XJVAVUZCEJSFIB-KBPBESRZSA-N 2 0 267.417 1.531 20 30 CDEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001266180590 944737662 /nfs/dbraw/zinc/73/76/62/944737662.db2.gz JDKVYZYHXNYJGX-HNNXBMFYSA-N 2 0 293.455 1.615 20 30 CDEDRP N#Cc1cncc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001242273225 946651969 /nfs/dbraw/zinc/65/19/69/946651969.db2.gz SUKLNDUKXWPOQL-UHFFFAOYSA-N 2 0 265.320 1.425 20 30 CDEDRP [NH2+]=C(N[C@H]1CC2CC[NH+](CC2)C1)c1ccc(F)cn1 ZINC001254838770 947617127 /nfs/dbraw/zinc/61/71/27/947617127.db2.gz HITNXPFTVXHYTQ-LBPRGKRZSA-N 2 0 262.332 1.410 20 30 CDEDRP CCCCCCCC[C@H](O)CN1C[C@H]([NH3+])C2(COC2)C1 ZINC001246068163 947924404 /nfs/dbraw/zinc/92/44/04/947924404.db2.gz ZEFQGYBWJNDUPE-GJZGRUSLSA-N 2 0 284.444 1.757 20 30 CDEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001246309706 948096945 /nfs/dbraw/zinc/09/69/45/948096945.db2.gz WLCJMVYLEPKKRB-GJZGRUSLSA-N 2 0 297.443 1.287 20 30 CDEDRP C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246818160 948455780 /nfs/dbraw/zinc/45/57/80/948455780.db2.gz XAWHISRKMCTCCL-SJLPKXTDSA-N 2 0 295.430 1.703 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001278653761 951164053 /nfs/dbraw/zinc/16/40/53/951164053.db2.gz OKYWBJQLGSTNKP-WBVHZDCISA-N 2 0 293.455 1.875 20 30 CDEDRP C=C[C@@](C)(O)C[NH+]1CCN(CC[NH+](CCC)CCC)CC1 ZINC001252561342 951458026 /nfs/dbraw/zinc/45/80/26/951458026.db2.gz ZQCOUZQMIWNFHB-QGZVFWFLSA-N 2 0 297.487 1.663 20 30 CDEDRP C=CCC[C@@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC001252619521 951511304 /nfs/dbraw/zinc/51/13/04/951511304.db2.gz FCUAHHALLIQXIL-OAHLLOKOSA-N 2 0 252.402 1.920 20 30 CDEDRP C#CC[N@@H+](C)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254039097 952174581 /nfs/dbraw/zinc/17/45/81/952174581.db2.gz ZBUCPZKNQJOXNP-UHFFFAOYSA-N 2 0 272.392 1.579 20 30 CDEDRP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001329887742 956163070 /nfs/dbraw/zinc/16/30/70/956163070.db2.gz OGFLXSJOFXZGPP-HOTGVXAUSA-N 2 0 293.455 1.759 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001366388853 956788380 /nfs/dbraw/zinc/78/83/80/956788380.db2.gz DGBKBKGCWVTREA-LBPRGKRZSA-N 2 0 273.808 1.271 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC001341662759 963502245 /nfs/dbraw/zinc/50/22/45/963502245.db2.gz NCFDYOKZDVSENE-TZMCWYRMSA-N 2 0 285.457 1.224 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001341942779 963585276 /nfs/dbraw/zinc/58/52/76/963585276.db2.gz IRYDGDKRAFKFQP-ZIAGYGMSSA-N 2 0 285.432 1.169 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(CC)[C@@H]1CCC[NH2+]C1 ZINC001342174261 963662333 /nfs/dbraw/zinc/66/23/33/963662333.db2.gz OUBDYIDVSAVUFE-CHWSQXEVSA-N 2 0 253.390 1.271 20 30 CDEDRP CC[NH+](CC)CC[C@H](C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC001342631106 963780222 /nfs/dbraw/zinc/78/02/22/963780222.db2.gz NBRFYNRHUQVYDI-STQMWFEESA-N 2 0 268.405 1.244 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001200841598 969002790 /nfs/dbraw/zinc/00/27/90/969002790.db2.gz SJKZVCZQLJNDGF-HNNXBMFYSA-N 2 0 299.434 1.823 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001498118563 973693009 /nfs/dbraw/zinc/69/30/09/973693009.db2.gz RWZNKVANJFLBIZ-QWRGUYRKSA-N 2 0 261.797 1.173 20 30 CDEDRP C=C(Cl)CN1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001389502379 975874902 /nfs/dbraw/zinc/87/49/02/975874902.db2.gz FJFSQARODFJWFG-CHWSQXEVSA-N 2 0 287.835 1.516 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001393051879 977687657 /nfs/dbraw/zinc/68/76/57/977687657.db2.gz HBWWJZQIWVISNE-CYBMUJFWSA-N 2 0 299.846 1.661 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001133073849 1163552142 /nfs/dbraw/zinc/55/21/42/1163552142.db2.gz XBGXYLIYFUIVTM-HOTGVXAUSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CCN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])C1CC[NH+](C)CC1 ZINC001574584257 1170994795 /nfs/dbraw/zinc/99/47/95/1170994795.db2.gz YHYWOOGCZFQEPC-DZGCQCFKSA-N 2 0 277.412 1.060 20 30 CDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H]([N@@H+](C)CC)C1 ZINC001574851567 1171025682 /nfs/dbraw/zinc/02/56/82/1171025682.db2.gz HUFADDVWZPBHJP-GHMZBOCLSA-N 2 0 259.781 1.009 20 30 CDEDRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@H](O)c1cccc(C#N)c1 ZINC001576481880 1171433957 /nfs/dbraw/zinc/43/39/57/1171433957.db2.gz GLZXNEJISVPVMF-GJZGRUSLSA-N 2 0 273.380 1.569 20 30 CDEDRP N#Cc1cccc(C[NH+]2CCC(N[C@H]3CCC[C@@H]3[NH3+])CC2)c1 ZINC000593323591 342788346 /nfs/dbraw/zinc/78/83/46/342788346.db2.gz QPNQBXVGCQVXFT-ROUUACIJSA-N 2 0 298.434 1.992 20 30 CDEDRP C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[N@@H+]1CCCC[C@H]1C ZINC000594441773 342907739 /nfs/dbraw/zinc/90/77/39/342907739.db2.gz WRCXOSKWFAEDJC-QLFBSQMISA-N 2 0 294.443 1.777 20 30 CDEDRP [NH2+]=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CCCCCC1 ZINC000092277906 342414125 /nfs/dbraw/zinc/41/41/25/342414125.db2.gz UMHOTEYNZYGUFO-CABCVRRESA-N 2 0 294.443 1.477 20 30 CDEDRP CCC[NH+]1CCC([NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598704814 343877348 /nfs/dbraw/zinc/87/73/48/343877348.db2.gz ULSUJTYJNFTJGY-CQSZACIVSA-N 2 0 267.417 1.751 20 30 CDEDRP CO[C@@H]1CN(CCc2ccc(C#N)cc2)[C@@](C)(C[NH3+])C1 ZINC000600888163 349889208 /nfs/dbraw/zinc/88/92/08/349889208.db2.gz ZCMLPFWXNIJSPB-JKSUJKDBSA-N 2 0 273.380 1.539 20 30 CDEDRP C[C@@H](CCC#N)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000602590539 344479576 /nfs/dbraw/zinc/47/95/76/344479576.db2.gz VXHLSBFQXNOTBD-AWEZNQCLSA-N 2 0 266.433 1.542 20 30 CDEDRP N#CCN1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000611104155 346609212 /nfs/dbraw/zinc/60/92/12/346609212.db2.gz CCQBRVNEDWGGOE-HUUCEWRRSA-N 2 0 262.401 1.191 20 30 CDEDRP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)CN1CC[NH+](C)CC1 ZINC000105439959 186057067 /nfs/dbraw/zinc/05/70/67/186057067.db2.gz ZSGRXKYJAFATJK-HNNXBMFYSA-N 2 0 286.423 1.531 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000264049610 362952540 /nfs/dbraw/zinc/95/25/40/362952540.db2.gz LYHGNYXYDJQDQP-GFCCVEGCSA-N 2 0 276.384 1.429 20 30 CDEDRP CC[C@H](C)NC(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000264085467 362962893 /nfs/dbraw/zinc/96/28/93/362962893.db2.gz JGZRGBMXMXJFNO-LBPRGKRZSA-N 2 0 262.401 1.951 20 30 CDEDRP N#Cc1ccccc1NC(=O)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000112734011 350593308 /nfs/dbraw/zinc/59/33/08/350593308.db2.gz RELICQDNWLTLSI-OKILXGFUSA-N 2 0 284.363 1.038 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179738274 357222746 /nfs/dbraw/zinc/22/27/46/357222746.db2.gz UNCOUTRMKAEUDY-UHFFFAOYSA-N 2 0 287.411 1.778 20 30 CDEDRP COCC[N@H+](C)CCCNC(=[NH2+])Nc1ccccc1 ZINC000066245520 357559813 /nfs/dbraw/zinc/55/98/13/357559813.db2.gz OTTCCVVJNQAYKE-UHFFFAOYSA-N 2 0 264.373 1.382 20 30 CDEDRP C#CCN(C)CCC[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000380827465 358196647 /nfs/dbraw/zinc/19/66/47/358196647.db2.gz IEIBIFNUMDQORI-HNNXBMFYSA-N 2 0 264.344 1.404 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C[NH2+]CC1CC1)C(C)C ZINC000269239708 359370952 /nfs/dbraw/zinc/37/09/52/359370952.db2.gz QGYOPIINRQMQNL-MRXNPFEDSA-N 2 0 293.455 1.801 20 30 CDEDRP C=CCOCCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000348048839 359799674 /nfs/dbraw/zinc/79/96/74/359799674.db2.gz NZRSCVPFRZBEBS-QGZVFWFLSA-N 2 0 295.471 1.681 20 30 CDEDRP CC#CC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000157922781 361050604 /nfs/dbraw/zinc/05/06/04/361050604.db2.gz BOHPFAYKXYIKCY-HUUCEWRRSA-N 2 0 264.413 1.831 20 30 CDEDRP C[N@@H+]1CCN(CC[NH2+]Cc2cccc(C#N)c2)CC1(C)C ZINC000282255646 375075599 /nfs/dbraw/zinc/07/55/99/375075599.db2.gz GUUVODYOBMCDSR-UHFFFAOYSA-N 2 0 286.423 1.674 20 30 CDEDRP C[C@H]1COCCN1CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000328792164 375971663 /nfs/dbraw/zinc/97/16/63/375971663.db2.gz ADLOQSKPMWFGBQ-LBPRGKRZSA-N 2 0 288.351 1.360 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000417534737 377878236 /nfs/dbraw/zinc/87/82/36/377878236.db2.gz WAPNTGBNWXMEKI-DZGCQCFKSA-N 2 0 294.443 1.548 20 30 CDEDRP CNC(NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)=[NH+]C ZINC000069418650 378081362 /nfs/dbraw/zinc/08/13/62/378081362.db2.gz YFGCCTOMJOITNO-BETUJISGSA-N 2 0 254.422 1.539 20 30 CDEDRP CC(C)([NH3+])CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423286446 390825734 /nfs/dbraw/zinc/82/57/34/390825734.db2.gz HIUUHFLOHXKZNS-UHFFFAOYSA-N 2 0 286.423 1.850 20 30 CDEDRP C=CC[C@@]1(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662702708 413349391 /nfs/dbraw/zinc/34/93/91/413349391.db2.gz CTZMQPIIOFTMDV-BBRMVZONSA-N 2 0 279.428 1.531 20 30 CDEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](CCO)CC2)cc1F ZINC000358310102 157914889 /nfs/dbraw/zinc/91/48/89/157914889.db2.gz NQVBIBGKUXEGTE-UHFFFAOYSA-N 2 0 291.370 1.491 20 30 CDEDRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000037229195 173049280 /nfs/dbraw/zinc/04/92/80/173049280.db2.gz UAPJDJBJRXBNPN-OAHLLOKOSA-N 2 0 286.423 1.846 20 30 CDEDRP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cnc2n1CCC2 ZINC000657454558 414351072 /nfs/dbraw/zinc/35/10/72/414351072.db2.gz LZLGZDADZAHUNH-IUODEOHRSA-N 2 0 261.369 1.900 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(C)cs1 ZINC000170909489 261448875 /nfs/dbraw/zinc/44/88/75/261448875.db2.gz HZLAMOXOSLWRBK-LLVKDONJSA-N 2 0 281.429 1.340 20 30 CDEDRP C=CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000414685933 263032245 /nfs/dbraw/zinc/03/22/45/263032245.db2.gz FEGJJKUYQASHAX-MGPQQGTHSA-N 2 0 286.441 1.050 20 30 CDEDRP CCc1nc(C)c(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)o1 ZINC000291965303 263126772 /nfs/dbraw/zinc/12/67/72/263126772.db2.gz SCNBCOKFMKHITB-LBPRGKRZSA-N 2 0 293.415 1.434 20 30 CDEDRP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N1CCCC1 ZINC000262182782 330001529 /nfs/dbraw/zinc/00/15/29/330001529.db2.gz WYOOKIZWDNHBRJ-UHFFFAOYSA-N 2 0 252.406 1.532 20 30 CDEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000262385705 330011880 /nfs/dbraw/zinc/01/18/80/330011880.db2.gz YIRLQHJREMQMLI-LBPRGKRZSA-N 2 0 270.421 1.046 20 30 CDEDRP C[C@H]1CCCN(C(=[NH2+])NCC2CC[NH+](C3CC3)CC2)C1 ZINC000262828343 330034473 /nfs/dbraw/zinc/03/44/73/330034473.db2.gz ZCFVMXKSLCPBQW-ZDUSSCGKSA-N 2 0 278.444 1.907 20 30 CDEDRP C[N@H+]1CC=C(CNC(=[NH2+])N2CCCCCC2)CC1 ZINC000263160492 330046549 /nfs/dbraw/zinc/04/65/49/330046549.db2.gz OMWQWSHLOOFQRK-UHFFFAOYSA-N 2 0 250.390 1.439 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263290168 330051856 /nfs/dbraw/zinc/05/18/56/330051856.db2.gz VOPSKJYHESLRAZ-ZBFHGGJFSA-N 2 0 279.428 1.661 20 30 CDEDRP C=CCN1CCC([NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000422864061 330158186 /nfs/dbraw/zinc/15/81/86/330158186.db2.gz TUFSLPSSHHSIRS-UHFFFAOYSA-N 2 0 251.418 1.744 20 30 CDEDRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000424085646 330223260 /nfs/dbraw/zinc/22/32/60/330223260.db2.gz ZIDOEYRDUJNIBU-GWCFXTLKSA-N 2 0 260.341 1.666 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000424139305 330278992 /nfs/dbraw/zinc/27/89/92/330278992.db2.gz ADLXGOGTNNLASA-ZIAGYGMSSA-N 2 0 278.400 1.094 20 30 CDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000424385949 330349543 /nfs/dbraw/zinc/34/95/43/330349543.db2.gz WZNZGXAFTHNHET-RBZJEDDUSA-N 2 0 280.412 1.324 20 30 CDEDRP C=CCC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)C1CC1 ZINC000119918547 330380176 /nfs/dbraw/zinc/38/01/76/330380176.db2.gz FPWBDTKIRMQXHW-MRXNPFEDSA-N 2 0 265.445 1.958 20 30 CDEDRP C#CC[N@H+](C)CCCNc1nc(C)nc2[nH]ccc21 ZINC000491746685 332324062 /nfs/dbraw/zinc/32/40/62/332324062.db2.gz BVDBIIHUYJGKQI-UHFFFAOYSA-N 2 0 257.341 1.585 20 30 CDEDRP C=CCC[C@H](CCC)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000567638875 334744885 /nfs/dbraw/zinc/74/48/85/334744885.db2.gz PLECALRJTTXVHL-ZDUSSCGKSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000669465261 483173066 /nfs/dbraw/zinc/17/30/66/483173066.db2.gz MYVXLFOFJSYGQU-AWEZNQCLSA-N 2 0 280.416 1.078 20 30 CDEDRP C#CCC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001753837782 1185352159 /nfs/dbraw/zinc/35/21/59/1185352159.db2.gz IQOHEPRIEGQLBQ-OAHLLOKOSA-N 2 0 279.428 1.082 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001113019215 1162075042 /nfs/dbraw/zinc/07/50/42/1162075042.db2.gz JVLXGPBSRMPPTR-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001113629452 1162244069 /nfs/dbraw/zinc/24/40/69/1162244069.db2.gz IZBSJQKHJBKBKW-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000049557028 524161827 /nfs/dbraw/zinc/16/18/27/524161827.db2.gz VJWOEMFHXRRAQW-UKRRQHHQSA-N 2 0 291.395 1.228 20 30 CDEDRP C#CCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000766941810 575103418 /nfs/dbraw/zinc/10/34/18/575103418.db2.gz RXPKCQONEHLRCW-JKSUJKDBSA-N 2 0 263.429 1.358 20 30 CDEDRP CCOCCC[N@@H+]1CCC(=[NH+]n2cnnc2)[C@H](C)C1 ZINC000735224181 575439093 /nfs/dbraw/zinc/43/90/93/575439093.db2.gz PCOPGODMIAMTFB-GFCCVEGCSA-N 2 0 265.361 1.251 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N(CC[NH+](CC)CC)CC(C)C ZINC000764400455 575904509 /nfs/dbraw/zinc/90/45/09/575904509.db2.gz ZRESIRZBDUFFJM-UHFFFAOYSA-N 2 0 283.460 1.931 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000764437297 575907090 /nfs/dbraw/zinc/90/70/90/575907090.db2.gz KKCZIJGFKCBRPJ-VNHYZAJKSA-N 2 0 281.444 1.587 20 30 CDEDRP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](C)C(C)(C)C2)CC1 ZINC000759920488 576444155 /nfs/dbraw/zinc/44/41/55/576444155.db2.gz FEOJJFVFBCPYHG-OAHLLOKOSA-N 2 0 291.439 1.132 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000943756063 613225426 /nfs/dbraw/zinc/22/54/26/613225426.db2.gz KMROHWYUCIXGQQ-HZPDHXFCSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCCN1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000951749953 613477942 /nfs/dbraw/zinc/47/79/42/613477942.db2.gz LRHRFJZWXPSBQA-UKRRQHHQSA-N 2 0 279.428 1.293 20 30 CDEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000959848744 613565058 /nfs/dbraw/zinc/56/50/58/613565058.db2.gz KXGWHHGNIZXTOY-QXSJWSMHSA-N 2 0 291.439 1.482 20 30 CDEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000969832860 613668726 /nfs/dbraw/zinc/66/87/26/613668726.db2.gz JXIBWALWJVWDQP-LSDHHAIUSA-N 2 0 293.455 1.587 20 30 CDEDRP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000981992016 613679202 /nfs/dbraw/zinc/67/92/02/613679202.db2.gz PVCCTQIYPBYOOH-OAHLLOKOSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968460332 613728106 /nfs/dbraw/zinc/72/81/06/613728106.db2.gz SMCCKCTWFSBBGD-CVEARBPZSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967397119 613735235 /nfs/dbraw/zinc/73/52/35/613735235.db2.gz MDZLEJUFBDTPPL-CZUORRHYSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947935938 613780187 /nfs/dbraw/zinc/78/01/87/613780187.db2.gz SDHUAIMYTMKYGJ-KGLIPLIRSA-N 2 0 277.412 1.237 20 30 CDEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC000946643001 613832818 /nfs/dbraw/zinc/83/28/18/613832818.db2.gz YWGFIICGLCHPKT-OWCLPIDISA-N 2 0 293.455 1.683 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N(CC)[C@H]2CC[NH2+]C2)CC1 ZINC000891521179 617459986 /nfs/dbraw/zinc/45/99/86/617459986.db2.gz DBRLLVMLPLKAKH-AWEZNQCLSA-N 2 0 280.416 1.030 20 30 CDEDRP CC(C)CCNC(=[NH2+])NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000104159694 617696303 /nfs/dbraw/zinc/69/63/03/617696303.db2.gz IGIPSTYSGQHMHY-KBPBESRZSA-N 2 0 284.448 1.436 20 30 CDEDRP C=CC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H](C)COC ZINC000903766890 626084850 /nfs/dbraw/zinc/08/48/50/626084850.db2.gz CMTDRLDASDDDKC-LSDHHAIUSA-N 2 0 282.428 1.668 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000911634387 629378416 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C=CC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001007615911 679738069 /nfs/dbraw/zinc/73/80/69/679738069.db2.gz BVKBVSXSXKOYBD-HNNXBMFYSA-N 2 0 291.439 1.629 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001018989967 684183908 /nfs/dbraw/zinc/18/39/08/684183908.db2.gz ARDOADPXVSHCFI-KBPBESRZSA-N 2 0 299.846 1.804 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014415742 679746268 /nfs/dbraw/zinc/74/62/68/679746268.db2.gz VXZKPJWBXUPSAW-CABCVRRESA-N 2 0 277.412 1.073 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001036207252 679747943 /nfs/dbraw/zinc/74/79/43/679747943.db2.gz FSUZLVDFNLFHIY-HOCLYGCPSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCN1CCC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000886209490 679776286 /nfs/dbraw/zinc/77/62/86/679776286.db2.gz NUSPARGONXCPHL-OAHLLOKOSA-N 2 0 295.390 1.455 20 30 CDEDRP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024447095 679783894 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CDEDRP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000989113473 679845151 /nfs/dbraw/zinc/84/51/51/679845151.db2.gz SXYNZMXFBMMKPC-TZMCWYRMSA-N 2 0 284.363 1.713 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999145554 679851597 /nfs/dbraw/zinc/85/15/97/679851597.db2.gz SJHNPSZXPJGRIR-GJZGRUSLSA-N 2 0 277.412 1.073 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028985887 679851954 /nfs/dbraw/zinc/85/19/54/679851954.db2.gz NTWRWIKRPJPCJO-LSDHHAIUSA-N 2 0 279.428 1.342 20 30 CDEDRP C[NH+]=C(NC[C@@H]1C[C@@H]1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261976715 679863248 /nfs/dbraw/zinc/86/32/48/679863248.db2.gz NWINWRGWXCIGJP-KZVDOYCCSA-N 2 0 264.417 1.290 20 30 CDEDRP C=C(C)C[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034490372 679867550 /nfs/dbraw/zinc/86/75/50/679867550.db2.gz KYPMWZWFYBNPJJ-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000830168384 679873509 /nfs/dbraw/zinc/87/35/09/679873509.db2.gz KFAXFKHNRIKVTO-HNNXBMFYSA-N 2 0 277.412 1.073 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000986823561 681525583 /nfs/dbraw/zinc/52/55/83/681525583.db2.gz JVYOAYCGUNOKLJ-OCCSQVGLSA-N 2 0 299.846 1.660 20 30 CDEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000303990149 681613984 /nfs/dbraw/zinc/61/39/84/681613984.db2.gz YJOXHJSTDHMZKQ-QWHCGFSZSA-N 2 0 254.422 1.763 20 30 CDEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001034716591 681716235 /nfs/dbraw/zinc/71/62/35/681716235.db2.gz NAJIISMQTVISDV-VGWMRTNUSA-N 2 0 291.439 1.367 20 30 CDEDRP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001045442982 681802934 /nfs/dbraw/zinc/80/29/34/681802934.db2.gz BWAXCVGKUACKPI-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001028688093 681849932 /nfs/dbraw/zinc/84/99/32/681849932.db2.gz AQKDITLQUIXVEX-ZDUSSCGKSA-N 2 0 284.363 1.572 20 30 CDEDRP C=C[C@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000850410033 681991435 /nfs/dbraw/zinc/99/14/35/681991435.db2.gz DVBGBWLGUABMAP-OAHLLOKOSA-N 2 0 275.396 1.075 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001052713260 682132520 /nfs/dbraw/zinc/13/25/20/682132520.db2.gz UMDOLSYDPCFXDW-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[N@@H+]1CCC2(CN(C(=O)CCc3c[nH]cn3)C2)C1 ZINC001072804056 682174223 /nfs/dbraw/zinc/17/42/23/682174223.db2.gz YVEUYPLWHJMOLV-UHFFFAOYSA-N 2 0 274.368 1.063 20 30 CDEDRP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049516082 682303450 /nfs/dbraw/zinc/30/34/50/682303450.db2.gz ZGNBGEDGZIESQE-GJZGRUSLSA-N 2 0 291.439 1.722 20 30 CDEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000261913160 682360895 /nfs/dbraw/zinc/36/08/95/682360895.db2.gz YSSXIDDXSDUXTF-GFCCVEGCSA-N 2 0 252.406 1.565 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001036896347 682441552 /nfs/dbraw/zinc/44/15/52/682441552.db2.gz NMYVWGROQDYOEW-CVEARBPZSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014412058 682511959 /nfs/dbraw/zinc/51/19/59/682511959.db2.gz FIPNINVKLCIBKD-KGLIPLIRSA-N 2 0 265.401 1.236 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001006001355 682535376 /nfs/dbraw/zinc/53/53/76/682535376.db2.gz MPVPCJOYSQGEPL-ZFWWWQNUSA-N 2 0 279.428 1.293 20 30 CDEDRP C#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001050063899 682590882 /nfs/dbraw/zinc/59/08/82/682590882.db2.gz XKJDQBHNVUDODE-GOEBONIOSA-N 2 0 289.423 1.027 20 30 CDEDRP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001032665967 682650303 /nfs/dbraw/zinc/65/03/03/682650303.db2.gz OSHBXUINMOFTPB-HOTGVXAUSA-N 2 0 289.423 1.027 20 30 CDEDRP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001017887199 682670318 /nfs/dbraw/zinc/67/03/18/682670318.db2.gz WUDJQBIGXWAMNV-IYBDPMFKSA-N 2 0 289.423 1.027 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCOC(C)C ZINC000305807845 682718364 /nfs/dbraw/zinc/71/83/64/682718364.db2.gz HHIWABGCVVWZPY-AWEZNQCLSA-N 2 0 284.448 1.580 20 30 CDEDRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC[N@@H+]1C ZINC000226877019 682778211 /nfs/dbraw/zinc/77/82/11/682778211.db2.gz UEHBFZBHJGAOBI-UHOFOFEASA-N 2 0 273.380 1.664 20 30 CDEDRP Cc1cc(C#N)ccc1C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931481092 682815998 /nfs/dbraw/zinc/81/59/98/682815998.db2.gz DGFADJYHYCPFDX-UHFFFAOYSA-N 2 0 287.407 1.755 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001008946281 683078036 /nfs/dbraw/zinc/07/80/36/683078036.db2.gz QRDPYOPXGGRFBI-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001021093476 683087883 /nfs/dbraw/zinc/08/78/83/683087883.db2.gz CVVWPPBWERSWRV-SHTZXODSSA-N 2 0 287.407 1.785 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001000592846 683125329 /nfs/dbraw/zinc/12/53/29/683125329.db2.gz FJBPPGIHVDOKRU-MRXNPFEDSA-N 2 0 293.455 1.873 20 30 CDEDRP C[NH+](C)[C@@H](CNC(=[NH2+])N1CCOCC1)C1CCCCC1 ZINC000104167648 683308145 /nfs/dbraw/zinc/30/81/45/683308145.db2.gz CZODRUHFEYGFCT-AWEZNQCLSA-N 2 0 282.432 1.144 20 30 CDEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034492355 683325641 /nfs/dbraw/zinc/32/56/41/683325641.db2.gz NETYMHJXEXMTJC-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001027919128 683334587 /nfs/dbraw/zinc/33/45/87/683334587.db2.gz STKZFSFJKMOQON-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001022069598 683358017 /nfs/dbraw/zinc/35/80/17/683358017.db2.gz LSYJYXMAHWOSHI-HZSPNIEDSA-N 2 0 299.846 1.849 20 30 CDEDRP C[C@@H]1CCC[C@@](CNC(=[NH2+])N2CCOCC2)([NH+](C)C)C1 ZINC000303893097 683390048 /nfs/dbraw/zinc/39/00/48/683390048.db2.gz RQPJTLQBEPGFJF-UKRRQHHQSA-N 2 0 282.432 1.144 20 30 CDEDRP C=CCCC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879593059 683424924 /nfs/dbraw/zinc/42/49/24/683424924.db2.gz UBFFLUKHHZYXCB-UHFFFAOYSA-N 2 0 251.418 1.664 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995549812 683433410 /nfs/dbraw/zinc/43/34/10/683433410.db2.gz FOWANYSMSRGVOJ-QWHCGFSZSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052932459 683450016 /nfs/dbraw/zinc/45/00/16/683450016.db2.gz ODNNNFCKLJGRAE-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075800408 683484441 /nfs/dbraw/zinc/48/44/41/683484441.db2.gz XBXVXNJHQUWWOT-HRCADAONSA-N 2 0 289.423 1.047 20 30 CDEDRP C[C@@H](CCC#N)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877746815 683508109 /nfs/dbraw/zinc/50/81/09/683508109.db2.gz YFCCDGRSNAAPRM-HNNXBMFYSA-N 2 0 278.444 1.638 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995899050 683621989 /nfs/dbraw/zinc/62/19/89/683621989.db2.gz VFMXLDNINYQXAV-HUUCEWRRSA-N 2 0 293.455 1.729 20 30 CDEDRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000923296481 683723510 /nfs/dbraw/zinc/72/35/10/683723510.db2.gz SXMUVQQEWLEWDC-CABCVRRESA-N 2 0 261.369 1.555 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001020585454 683754230 /nfs/dbraw/zinc/75/42/30/683754230.db2.gz ZDPJYJIUJUELPH-JHJVBQTASA-N 2 0 285.819 1.460 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000996602922 683788071 /nfs/dbraw/zinc/78/80/71/683788071.db2.gz IRXUZOLNMMKJQW-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001036225473 683872564 /nfs/dbraw/zinc/87/25/64/683872564.db2.gz OTXMFPDKEHCRLF-JKSUJKDBSA-N 2 0 291.439 1.178 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000303896212 683890471 /nfs/dbraw/zinc/89/04/71/683890471.db2.gz PVEQIJYYJYEUCZ-XQQFMLRXSA-N 2 0 270.421 1.189 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001015795444 683890781 /nfs/dbraw/zinc/89/07/81/683890781.db2.gz QAFYBUAHIWVPFI-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001041833208 684002976 /nfs/dbraw/zinc/00/29/76/684002976.db2.gz MSMSCITVTDNPST-MRXNPFEDSA-N 2 0 277.412 1.193 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001016928924 684014245 /nfs/dbraw/zinc/01/42/45/684014245.db2.gz AZFYSWIUFWFNLG-GJZGRUSLSA-N 2 0 291.439 1.485 20 30 CDEDRP CC[C@H](C)NC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000303365990 684052451 /nfs/dbraw/zinc/05/24/51/684052451.db2.gz GZZGTAKPOWJYBQ-QWHCGFSZSA-N 2 0 254.422 1.810 20 30 CDEDRP C[C@@H]1CCCN(C(=[NH2+])NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000104159756 684053227 /nfs/dbraw/zinc/05/32/27/684053227.db2.gz LUAJOYHCSMHPCN-KFWWJZLASA-N 2 0 296.459 1.532 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033580436 684067975 /nfs/dbraw/zinc/06/79/75/684067975.db2.gz DUARSUGWHFOYNQ-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000999554995 684069274 /nfs/dbraw/zinc/06/92/74/684069274.db2.gz WAIXOXLQFSNQMR-UHFFFAOYSA-N 2 0 299.418 1.574 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC=C)C[C@H]2C)CC1 ZINC000989828706 684077116 /nfs/dbraw/zinc/07/71/16/684077116.db2.gz HTVRVFFDROSBMD-ZBFHGGJFSA-N 2 0 289.423 1.097 20 30 CDEDRP C#CCN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000886662761 684201788 /nfs/dbraw/zinc/20/17/88/684201788.db2.gz LRSXRDKTTPDTIP-HZMVEIRTSA-N 2 0 275.440 1.546 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001019823147 684289160 /nfs/dbraw/zinc/28/91/60/684289160.db2.gz AKFOMSRQEQBBNA-LSDHHAIUSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)CC[N@@H+](C)CC ZINC001170222984 1162313744 /nfs/dbraw/zinc/31/37/44/1162313744.db2.gz PXAMLDCQVKDAMN-UHFFFAOYSA-N 2 0 255.406 1.390 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)c1ccccc1CC[NH+](C)C ZINC001131798880 1163055749 /nfs/dbraw/zinc/05/57/49/1163055749.db2.gz BNVCYDGPJACKBU-UHFFFAOYSA-N 2 0 287.407 1.133 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001113565137 1162225708 /nfs/dbraw/zinc/22/57/08/1162225708.db2.gz YDQIMBGXFPOWQX-UHFFFAOYSA-N 2 0 281.444 1.829 20 30 CDEDRP C=CCC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132266093 1163219009 /nfs/dbraw/zinc/21/90/09/1163219009.db2.gz VREUXSQVUFQVSO-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132266738 1163220340 /nfs/dbraw/zinc/22/03/40/1163220340.db2.gz ZIPVEEIAGGTQKP-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001133245903 1163613280 /nfs/dbraw/zinc/61/32/80/1163613280.db2.gz MKYVJHOUQNTDAD-GJZGRUSLSA-N 2 0 291.439 1.342 20 30 CDEDRP CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001133982812 1163996461 /nfs/dbraw/zinc/99/64/61/1163996461.db2.gz OARHRWXAAYLFSU-HNNXBMFYSA-N 2 0 288.395 1.104 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001091066507 1164254721 /nfs/dbraw/zinc/25/47/21/1164254721.db2.gz UQNIMURBIMZLDW-PCKAHOCUSA-N 2 0 293.455 1.635 20 30 CDEDRP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000217572558 1177638984 /nfs/dbraw/zinc/63/89/84/1177638984.db2.gz SDYGEGSCDUCJLN-GOEBONIOSA-N 2 0 273.380 1.523 20 30 CDEDRP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001714276888 1179060959 /nfs/dbraw/zinc/06/09/59/1179060959.db2.gz YCYGSARLSXICCO-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001731545786 1182442863 /nfs/dbraw/zinc/44/28/63/1182442863.db2.gz FCIJBJYHVLGTTC-HOTGVXAUSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001753367239 1184471477 /nfs/dbraw/zinc/47/14/77/1184471477.db2.gz BRVNGEMHNHLVQJ-MRXNPFEDSA-N 2 0 293.455 1.685 20 30 CDEDRP C=CC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001753474009 1184653618 /nfs/dbraw/zinc/65/36/18/1184653618.db2.gz QSRUXURAGCVMFS-HZSPNIEDSA-N 2 0 267.417 1.387 20 30 CDEDRP C=C(C)C[N@@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001752122143 1184823305 /nfs/dbraw/zinc/82/33/05/1184823305.db2.gz RGRMOLDYCRJSJK-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001752882667 1184949370 /nfs/dbraw/zinc/94/93/70/1184949370.db2.gz AIEDESKJFALBMK-QWHCGFSZSA-N 2 0 255.406 1.387 20 30 CDEDRP C=CCC[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001753066921 1185033277 /nfs/dbraw/zinc/03/32/77/1185033277.db2.gz UFGBGVBYWXRVJH-HNNXBMFYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=C(C)C[N@@H+](C)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001753066809 1185034195 /nfs/dbraw/zinc/03/41/95/1185034195.db2.gz BPKHQUMCPHPCDH-UHFFFAOYSA-N 2 0 289.423 1.986 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001753115679 1185068882 /nfs/dbraw/zinc/06/88/82/1185068882.db2.gz MMFTXHHGZDSUNQ-CQSZACIVSA-N 2 0 265.401 1.239 20 30 CDEDRP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001754180538 1185496482 /nfs/dbraw/zinc/49/64/82/1185496482.db2.gz DYFFRUYOGNOYLT-MSNYOWOLSA-N 2 0 289.423 1.289 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001754494628 1185641850 /nfs/dbraw/zinc/64/18/50/1185641850.db2.gz VZJJVHCRWADEMP-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1CCCC1 ZINC001754656082 1185693670 /nfs/dbraw/zinc/69/36/70/1185693670.db2.gz KRZHWAKEGLXOCE-HNNXBMFYSA-N 2 0 281.444 1.777 20 30 CDEDRP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001754675030 1185703079 /nfs/dbraw/zinc/70/30/79/1185703079.db2.gz HXQSGSFNRFCZQB-UKRRQHHQSA-N 2 0 267.417 1.483 20 30 CDEDRP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001754808078 1185736008 /nfs/dbraw/zinc/73/60/08/1185736008.db2.gz XKMCPWMEPVEREC-CABCVRRESA-N 2 0 279.428 1.177 20 30 CDEDRP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001755034715 1185793257 /nfs/dbraw/zinc/79/32/57/1185793257.db2.gz XMQQIOYAQGAYLX-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001755123674 1185823521 /nfs/dbraw/zinc/82/35/21/1185823521.db2.gz SZYHIGVZGZMUDO-LSDHHAIUSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001755618919 1186013643 /nfs/dbraw/zinc/01/36/43/1186013643.db2.gz PZYWPITVGJECPB-UONOGXRCSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001755618918 1186013890 /nfs/dbraw/zinc/01/38/90/1186013890.db2.gz PZYWPITVGJECPB-KGLIPLIRSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC1(C)C ZINC001755762774 1186060858 /nfs/dbraw/zinc/06/08/58/1186060858.db2.gz KFSVLSWGLFCREQ-CQSZACIVSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133851236 1163925118 /nfs/dbraw/zinc/92/51/18/1163925118.db2.gz ZQOZQWGLPBXPSA-ZDUSSCGKSA-N 2 0 253.390 1.000 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175262440 1164303944 /nfs/dbraw/zinc/30/39/44/1164303944.db2.gz GZWQHDYRNLXXBZ-LSDHHAIUSA-N 2 0 279.428 1.226 20 30 CDEDRP C#CCOc1ccccc1C[NH2+]C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001574747068 1167639113 /nfs/dbraw/zinc/63/91/13/1167639113.db2.gz UYRNRWVVGOQITM-QKDCVEJESA-N 2 0 256.349 1.254 20 30 CDEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001175047686 913441678 /nfs/dbraw/zinc/44/16/78/913441678.db2.gz AEVGGASQRPMYKK-CQSZACIVSA-N 2 0 267.417 1.226 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249873 913719396 /nfs/dbraw/zinc/71/93/96/913719396.db2.gz UHQUOURVEGNCMU-BMFZPTHFSA-N 2 0 293.455 1.587 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001106312578 913850772 /nfs/dbraw/zinc/85/07/72/913850772.db2.gz JFOONWYSCSINLO-BZUAXINKSA-N 2 0 295.471 1.977 20 30 CDEDRP C=C(C)CN1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001039050674 894343926 /nfs/dbraw/zinc/34/39/26/894343926.db2.gz OZXIDOUKDJILGQ-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001206281113 914250541 /nfs/dbraw/zinc/25/05/41/914250541.db2.gz BGUGUZCATFCKBN-GOEBONIOSA-N 2 0 293.455 1.588 20 30 CDEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)Cn2ccnc2)CC1 ZINC001168499723 914253287 /nfs/dbraw/zinc/25/32/87/914253287.db2.gz LETXUWSBEZLUGT-UHFFFAOYSA-N 2 0 296.802 1.512 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCC=C)CC1 ZINC001176925767 914359399 /nfs/dbraw/zinc/35/93/99/914359399.db2.gz ATSCOKDNLWSLSV-UHFFFAOYSA-N 2 0 277.412 1.004 20 30 CDEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001104938659 899687762 /nfs/dbraw/zinc/68/77/62/899687762.db2.gz ADJDSTYHYGPREU-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP N#Cc1ccc(CCCN2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235980614 914483631 /nfs/dbraw/zinc/48/36/31/914483631.db2.gz RMJHGCSOANKRDE-HZPDHXFCSA-N 2 0 255.365 1.914 20 30 CDEDRP C=CCn1cc(C[N@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC001139770275 901682434 /nfs/dbraw/zinc/68/24/34/901682434.db2.gz JVYVZUDNPQDUFL-UHFFFAOYSA-N 2 0 262.401 1.843 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001088010729 906124040 /nfs/dbraw/zinc/12/40/40/906124040.db2.gz HHXLVBCDVTXTLZ-QLFBSQMISA-N 2 0 279.428 1.293 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001088011343 906124934 /nfs/dbraw/zinc/12/49/34/906124934.db2.gz JJKKHBZUOWSVMA-OWCLPIDISA-N 2 0 293.455 1.683 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001088375569 907026984 /nfs/dbraw/zinc/02/69/84/907026984.db2.gz KUAHBOTYUGDBQT-HZPDHXFCSA-N 2 0 293.455 1.567 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203699803 921421674 /nfs/dbraw/zinc/42/16/74/921421674.db2.gz UBBPXLITNPKZJC-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001203431342 908774228 /nfs/dbraw/zinc/77/42/28/908774228.db2.gz BOYSMEXOMAMQIS-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CCN1CC[C@]2(CCC[N@@H+]2CC2CC[NH2+]CC2)C1=O ZINC001273030102 921685580 /nfs/dbraw/zinc/68/55/80/921685580.db2.gz LGWQJCITEDYYID-MRXNPFEDSA-N 2 0 277.412 1.239 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])N[C@@H](C)CCCC#N ZINC001172493126 911729389 /nfs/dbraw/zinc/72/93/89/911729389.db2.gz WTYBIBTURLJKTJ-LBPRGKRZSA-N 2 0 253.394 1.525 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC001179079409 915745168 /nfs/dbraw/zinc/74/51/68/915745168.db2.gz KRDRPJWAQINQBP-BBRMVZONSA-N 2 0 296.374 1.550 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001180061118 916137928 /nfs/dbraw/zinc/13/79/28/916137928.db2.gz XSSLIAMKQMZTCU-MRXNPFEDSA-N 2 0 293.455 1.618 20 30 CDEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001097848982 936394207 /nfs/dbraw/zinc/39/42/07/936394207.db2.gz YLPAFKNMLGDAFN-JJXSEGSLSA-N 2 0 289.423 1.216 20 30 CDEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106983749 917626687 /nfs/dbraw/zinc/62/66/87/917626687.db2.gz HYGUBQHXCHQRQL-HZPDHXFCSA-N 2 0 293.455 1.733 20 30 CDEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+]C1CCOCC1 ZINC001255038815 936487868 /nfs/dbraw/zinc/48/78/68/936487868.db2.gz RMFZOKWTODNDQQ-UHFFFAOYSA-N 2 0 261.369 1.832 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001183086029 918278353 /nfs/dbraw/zinc/27/83/53/918278353.db2.gz OEVUDOFQDXCRPL-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP CC[C@@H](CC#N)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001255163559 936514042 /nfs/dbraw/zinc/51/40/42/936514042.db2.gz HIOHVWANLDXPHL-ZDUSSCGKSA-N 2 0 251.374 1.379 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001184557206 919191766 /nfs/dbraw/zinc/19/17/66/919191766.db2.gz UCWAIAFUOKQRMP-LSDHHAIUSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)C[N@@H+](C)CCCCCC ZINC001168594980 919372809 /nfs/dbraw/zinc/37/28/09/919372809.db2.gz FOQVYMPYVXLBTB-UHFFFAOYSA-N 2 0 281.444 1.618 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1C ZINC001185356949 919543210 /nfs/dbraw/zinc/54/32/10/919543210.db2.gz BDJGQXJVIDOILA-JKSUJKDBSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001185650900 919690551 /nfs/dbraw/zinc/69/05/51/919690551.db2.gz QGCSZMMGBCYQTO-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001185683724 919703945 /nfs/dbraw/zinc/70/39/45/919703945.db2.gz ZHJCVKXUYQVQGH-HOTGVXAUSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001186082623 919862525 /nfs/dbraw/zinc/86/25/25/919862525.db2.gz LVPRVLIJPKIUHH-HZPDHXFCSA-N 2 0 291.439 1.463 20 30 CDEDRP COc1ccc(C[NH+]2CCC(C[NH3+])CC2)c(C#N)c1 ZINC001205033410 919992825 /nfs/dbraw/zinc/99/28/25/919992825.db2.gz GUSRTAIFJLWREC-UHFFFAOYSA-N 2 0 259.353 1.738 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001486120425 920730322 /nfs/dbraw/zinc/73/03/22/920730322.db2.gz ATLIVMYQSISMBU-STQMWFEESA-N 2 0 287.835 1.660 20 30 CDEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190946681 922301181 /nfs/dbraw/zinc/30/11/81/922301181.db2.gz LVSNOCZDVUKOBR-GJZGRUSLSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](CC)CC ZINC001099275892 936784752 /nfs/dbraw/zinc/78/47/52/936784752.db2.gz KTKWSGNRWZDBSH-OAHLLOKOSA-N 2 0 293.455 1.568 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193461139 923694936 /nfs/dbraw/zinc/69/49/36/923694936.db2.gz FRAZYXHEUAEVPW-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193460376 923694980 /nfs/dbraw/zinc/69/49/80/923694980.db2.gz BPNLYNJFKSRJRF-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001080558936 924596742 /nfs/dbraw/zinc/59/67/42/924596742.db2.gz LPSTWGXYZHUTPO-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCN1CC[C@]2(CCC[N@@H+](CCC[NH+](C)C)CC2)C1=O ZINC001273712500 924813039 /nfs/dbraw/zinc/81/30/39/924813039.db2.gz WZBKKTIGKYHWMF-QGZVFWFLSA-N 2 0 291.439 1.276 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001084355351 925238798 /nfs/dbraw/zinc/23/87/98/925238798.db2.gz SMNIPHYJGAIDCN-KLHDSHLOSA-N 2 0 291.439 1.435 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001084403779 925251902 /nfs/dbraw/zinc/25/19/02/925251902.db2.gz BNWZCNFODIKZCZ-HUUCEWRRSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CC[N@@H+]1CCCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001198129762 925326861 /nfs/dbraw/zinc/32/68/61/925326861.db2.gz WITCSUKRDDGAPW-UHFFFAOYSA-N 2 0 293.455 1.973 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001152485232 925489527 /nfs/dbraw/zinc/48/95/27/925489527.db2.gz CFWHGMBJHYKYOZ-OAHLLOKOSA-N 2 0 279.428 1.226 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]21 ZINC001084970814 925533223 /nfs/dbraw/zinc/53/32/23/925533223.db2.gz WFSIRGMQJNIAJC-OAGGEKHMSA-N 2 0 291.439 1.273 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001199787509 925859499 /nfs/dbraw/zinc/85/94/99/925859499.db2.gz AGSYBFJQSSNMDG-CQSZACIVSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102088429 937041167 /nfs/dbraw/zinc/04/11/67/937041167.db2.gz VHWFKWQTXPHEGD-RBSFLKMASA-N 2 0 279.428 1.034 20 30 CDEDRP CC#CC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)[C@H](C)C1 ZINC001102100874 937041483 /nfs/dbraw/zinc/04/14/83/937041483.db2.gz BCUNTNHIOKCOJZ-HUUCEWRRSA-N 2 0 293.455 1.424 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102382089 937056142 /nfs/dbraw/zinc/05/61/42/937056142.db2.gz PLSCRLFIAQKYKT-KFWWJZLASA-N 2 0 281.444 1.587 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001201240594 926226898 /nfs/dbraw/zinc/22/68/98/926226898.db2.gz XEOJRCGYVDKNAF-OAHLLOKOSA-N 2 0 281.444 1.873 20 30 CDEDRP C[NH+]1CCN(c2cc(Nc3cncc(C#N)n3)cc[nH+]2)CC1 ZINC001201650978 926374330 /nfs/dbraw/zinc/37/43/30/926374330.db2.gz KITGAFUWDSDURD-UHFFFAOYSA-N 2 0 295.350 1.239 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086090608 926692251 /nfs/dbraw/zinc/69/22/51/926692251.db2.gz IRKHEBAACGBRQK-YIYPIFLZSA-N 2 0 299.846 1.564 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001086499958 927215152 /nfs/dbraw/zinc/21/51/52/927215152.db2.gz GFTFVNHNQLNFOL-YHUYYLMFSA-N 2 0 289.423 1.121 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374788 928410684 /nfs/dbraw/zinc/41/06/84/928410684.db2.gz XMMKYBOMVRAEBI-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP C=C[C@@H](CO)Nc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001169784575 928437579 /nfs/dbraw/zinc/43/75/79/928437579.db2.gz MNJROEBWWQYYNQ-INIZCTEOSA-N 2 0 289.423 1.816 20 30 CDEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CCC ZINC001115155837 937330427 /nfs/dbraw/zinc/33/04/27/937330427.db2.gz CIXKHCJZZVVHLM-FOLVSLTJSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608156 929815282 /nfs/dbraw/zinc/81/52/82/929815282.db2.gz RMIXEHUQEOZOSL-KGLIPLIRSA-N 2 0 281.444 1.920 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152464467 937364871 /nfs/dbraw/zinc/36/48/71/937364871.db2.gz ORCUSEOQCKDRGC-HNNXBMFYSA-N 2 0 281.444 1.779 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001135477515 930227709 /nfs/dbraw/zinc/22/77/09/930227709.db2.gz HEZIMVQARNMWAV-ZDUSSCGKSA-N 2 0 289.851 1.811 20 30 CDEDRP C=CC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001135477374 930227737 /nfs/dbraw/zinc/22/77/37/930227737.db2.gz FQQGVHGJQMWTPF-CYBMUJFWSA-N 2 0 255.406 1.245 20 30 CDEDRP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135746074 930393759 /nfs/dbraw/zinc/39/37/59/930393759.db2.gz CVAGPAHKHJNPNZ-HUUCEWRRSA-N 2 0 299.459 1.404 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135973750 930585404 /nfs/dbraw/zinc/58/54/04/930585404.db2.gz CWGCPHXAKLNKPO-LSDHHAIUSA-N 2 0 281.444 1.615 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001153998086 937490137 /nfs/dbraw/zinc/49/01/37/937490137.db2.gz HQQBKWPAPPQGQY-ZIAGYGMSSA-N 2 0 269.433 1.729 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455117 937546471 /nfs/dbraw/zinc/54/64/71/937546471.db2.gz GFUDPBUPVIRTDG-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146609652 932272061 /nfs/dbraw/zinc/27/20/61/932272061.db2.gz FUMKYEPRAMAAGG-HUUCEWRRSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CC[NH2+]CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001147449082 932517300 /nfs/dbraw/zinc/51/73/00/932517300.db2.gz HZSXQMSIVIGFIZ-OAHLLOKOSA-N 2 0 275.396 1.571 20 30 CDEDRP CCN(CC)C(=[NH2+])NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000303771196 935043013 /nfs/dbraw/zinc/04/30/13/935043013.db2.gz CMOBNVBCVPSUJQ-STQMWFEESA-N 2 0 270.421 1.142 20 30 CDEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001121695876 937880194 /nfs/dbraw/zinc/88/01/94/937880194.db2.gz CYEUHXQNNRRQSV-UHFFFAOYSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CCC)CC1 ZINC001157092076 938453098 /nfs/dbraw/zinc/45/30/98/938453098.db2.gz JCOFWLNERJUFKW-OAHLLOKOSA-N 2 0 293.455 1.568 20 30 CDEDRP N#Cc1c(NC(=[NH2+])NCCCC[NH3+])ncc2c1CCCC2 ZINC001157101456 938454555 /nfs/dbraw/zinc/45/45/55/938454555.db2.gz HTUQLIUMFFLTPP-UHFFFAOYSA-N 2 0 286.383 1.507 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109431 938455184 /nfs/dbraw/zinc/45/51/84/938455184.db2.gz NSDBZLKZLAMGKW-HZPDHXFCSA-N 2 0 293.455 1.711 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158029150 938576151 /nfs/dbraw/zinc/57/61/51/938576151.db2.gz DASFZNYATUWKSF-UONOGXRCSA-N 2 0 299.846 1.709 20 30 CDEDRP N#Cc1cc2c(nc1N[C@H]([NH3+])CCC[NH3+])CCCC2 ZINC001159787125 938753686 /nfs/dbraw/zinc/75/36/86/938753686.db2.gz RPECCCOOYWIIDN-ZDUSSCGKSA-N 2 0 259.357 1.268 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001159846745 938756921 /nfs/dbraw/zinc/75/69/21/938756921.db2.gz SWDWNYUDCJXSMT-CQSZACIVSA-N 2 0 267.417 1.246 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160426482 938786269 /nfs/dbraw/zinc/78/62/69/938786269.db2.gz GIAZYVTZIWNKSZ-ZDUSSCGKSA-N 2 0 255.406 1.245 20 30 CDEDRP C[N@@H+]1CCC[C@@H]1CCNc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001160966491 938851959 /nfs/dbraw/zinc/85/19/59/938851959.db2.gz KVRIQGDCHYXWKU-CQSZACIVSA-N 2 0 299.422 1.885 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164574753 939495106 /nfs/dbraw/zinc/49/51/06/939495106.db2.gz ZAUCAJKAGVBOHN-GJZGRUSLSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001165334140 939547305 /nfs/dbraw/zinc/54/73/05/939547305.db2.gz VOLFTVILGOZNCL-HNNXBMFYSA-N 2 0 291.439 1.370 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001166425439 939608771 /nfs/dbraw/zinc/60/87/71/939608771.db2.gz QYGWVSCMFGLVRB-CYBMUJFWSA-N 2 0 255.406 1.389 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203521342 939690630 /nfs/dbraw/zinc/69/06/30/939690630.db2.gz ITYBPIVLHIFUML-HUUCEWRRSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001203852433 939707456 /nfs/dbraw/zinc/70/74/56/939707456.db2.gz BXVGLJSEBAHRLG-GASCZTMLSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001204798809 939791611 /nfs/dbraw/zinc/79/16/11/939791611.db2.gz ONASTZPAVCKQQF-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001205420234 939888907 /nfs/dbraw/zinc/88/89/07/939888907.db2.gz KSIUBPAIGUXZRS-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207643696 940225321 /nfs/dbraw/zinc/22/53/21/940225321.db2.gz IFBIXGNALMCVRZ-KFWWJZLASA-N 2 0 281.444 1.585 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208013675 940278271 /nfs/dbraw/zinc/27/82/71/940278271.db2.gz JAZIVAVBKKXGQV-CVEARBPZSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001208261614 940313720 /nfs/dbraw/zinc/31/37/20/940313720.db2.gz QSSGWCBILVPRJE-HUUCEWRRSA-N 2 0 299.434 1.823 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214855880 940841647 /nfs/dbraw/zinc/84/16/47/940841647.db2.gz QGDRLFHAFRGOHI-BPLDGKMQSA-N 2 0 279.428 1.339 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001215153329 940861687 /nfs/dbraw/zinc/86/16/87/940861687.db2.gz NFDQAJHXYIEXLD-CZUORRHYSA-N 2 0 298.390 1.961 20 30 CDEDRP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000402186255 940890803 /nfs/dbraw/zinc/89/08/03/940890803.db2.gz ZSFGXUIOJSABKD-DZGCQCFKSA-N 2 0 259.353 1.262 20 30 CDEDRP C=C1CC[NH2+]C[C@@H]1Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218210844 941044421 /nfs/dbraw/zinc/04/44/21/941044421.db2.gz KUKLPDRQBNAMBW-INIZCTEOSA-N 2 0 273.380 1.393 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222049766 941558921 /nfs/dbraw/zinc/55/89/21/941558921.db2.gz LFNMCOAUJAKHMZ-HUUCEWRRSA-N 2 0 279.428 1.435 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001225238166 941831959 /nfs/dbraw/zinc/83/19/59/941831959.db2.gz UTBZDBMODQQROX-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP C[N+](C)(C)C[C@@H](CC#N)Oc1ccc(CC(=[NH2+])NO)cc1 ZINC001225545165 941877946 /nfs/dbraw/zinc/87/79/46/941877946.db2.gz CGFDTYWTEQAEPZ-CQSZACIVSA-N 2 0 291.375 1.552 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+](CC)CC ZINC001229201473 942431704 /nfs/dbraw/zinc/43/17/04/942431704.db2.gz FMHKKISJHKMBIL-ZIAGYGMSSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001231225929 942825394 /nfs/dbraw/zinc/82/53/94/942825394.db2.gz KKUUFNSBAXKTNX-LSDHHAIUSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CCCCNC(=S)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239361472 945430392 /nfs/dbraw/zinc/43/03/92/945430392.db2.gz FVDNULLSNJOMTR-ZDUSSCGKSA-N 2 0 296.484 1.291 20 30 CDEDRP CCCCCCCC[C@H](O)C[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246036910 947912477 /nfs/dbraw/zinc/91/24/77/947912477.db2.gz ZTDXLYZJYFZTBL-XQLPTFJDSA-N 2 0 254.418 1.987 20 30 CDEDRP O=C1C=C2CN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]2S1 ZINC001246693398 948406989 /nfs/dbraw/zinc/40/69/89/948406989.db2.gz JPNQHPQTLINBTL-HNGCFSAESA-N 2 0 264.394 1.544 20 30 CDEDRP C=C[C@](C)(O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001252555062 951447226 /nfs/dbraw/zinc/44/72/26/951447226.db2.gz OLDOJRMTUTZCBM-KSZLIROESA-N 2 0 286.419 1.987 20 30 CDEDRP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001253205997 951802702 /nfs/dbraw/zinc/80/27/02/951802702.db2.gz IMJCQFCVVFJKCZ-IHRRRGAJSA-N 2 0 253.390 1.361 20 30 CDEDRP CC(C)(C)[NH2+]C[C@@H](O)CNC(=[NH2+])c1ccc(Cl)cn1 ZINC001253405275 951889263 /nfs/dbraw/zinc/88/92/63/951889263.db2.gz UQTNGZKBEBZGAA-JTQLQIEISA-N 2 0 284.791 1.189 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001418701452 960921332 /nfs/dbraw/zinc/92/13/32/960921332.db2.gz ZGORYXSSQRMSDV-AVGNSLFASA-N 2 0 287.835 1.564 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](CCC)CC1 ZINC001353446960 967984896 /nfs/dbraw/zinc/98/48/96/967984896.db2.gz AVRYTBUYXLDTDD-AWEZNQCLSA-N 2 0 267.417 1.661 20 30 CDEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001100407878 968264794 /nfs/dbraw/zinc/26/47/94/968264794.db2.gz NAJZKINJMOTMNM-AVVWSFFYSA-N 2 0 293.455 1.777 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001200506217 968358140 /nfs/dbraw/zinc/35/81/40/968358140.db2.gz AXWVYCNEFGQAMK-MRXNPFEDSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001100730981 969031885 /nfs/dbraw/zinc/03/18/85/969031885.db2.gz WRHXDCYTKBTFDB-FHERZECASA-N 2 0 291.439 1.369 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CC=C)CC1 ZINC001503645767 974826435 /nfs/dbraw/zinc/82/64/35/974826435.db2.gz NRAYOVHQKYZKNF-AWEZNQCLSA-N 2 0 277.412 1.002 20 30 CDEDRP C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)C1CC[NH+](C)CC1 ZINC000600723276 342244994 /nfs/dbraw/zinc/24/49/94/342244994.db2.gz BVKSEIXGRHBACS-TZMCWYRMSA-N 2 0 265.401 1.361 20 30 CDEDRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)N(C)CCC#N)CC1 ZINC000092795588 342419082 /nfs/dbraw/zinc/41/90/82/342419082.db2.gz WCQSSBLEHYIJOP-UHFFFAOYSA-N 2 0 294.443 1.553 20 30 CDEDRP N#Cc1cccc(OCCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000610786244 346417574 /nfs/dbraw/zinc/41/75/74/346417574.db2.gz XSVQZSWVULOWCD-GJZGRUSLSA-N 2 0 271.364 1.478 20 30 CDEDRP COc1cc(C#N)ccc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000611235639 346704083 /nfs/dbraw/zinc/70/40/83/346704083.db2.gz ZJXIOEVBFKJAJD-ZIAGYGMSSA-N 2 0 257.337 1.218 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052932460 684652319 /nfs/dbraw/zinc/65/23/19/684652319.db2.gz ODNNNFCKLJGRAE-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001054735754 684725434 /nfs/dbraw/zinc/72/54/34/684725434.db2.gz KEAYGOZRPLUFJP-STQMWFEESA-N 2 0 265.401 1.093 20 30 CDEDRP COCC[N@H+](C)CCCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000264076311 362959209 /nfs/dbraw/zinc/95/92/09/362959209.db2.gz FSTZDMBEEXFHJB-UHFFFAOYSA-N 2 0 292.427 1.998 20 30 CDEDRP C[NH+]=C(NCC[NH+]1CCCC1)NCc1c(C)noc1C ZINC000179017122 366510276 /nfs/dbraw/zinc/51/02/76/366510276.db2.gz OTUWCYMEEKSFSX-UHFFFAOYSA-N 2 0 279.388 1.052 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@@H](C[NH3+])OC)C(C)C ZINC000278336769 359580134 /nfs/dbraw/zinc/58/01/34/359580134.db2.gz XAUYXPVYNBAMRQ-LSDHHAIUSA-N 2 0 297.443 1.165 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000123225715 360353514 /nfs/dbraw/zinc/35/35/14/360353514.db2.gz UMAAQXYJRJGAHK-GOEBONIOSA-N 2 0 291.439 1.273 20 30 CDEDRP C=CCN1CCC([NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000248199467 361299366 /nfs/dbraw/zinc/29/93/66/361299366.db2.gz YEFCDBLZKVVCDS-HOCLYGCPSA-N 2 0 265.445 1.957 20 30 CDEDRP C=CCC[C@@H](CCC)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000567638874 371076711 /nfs/dbraw/zinc/07/67/11/371076711.db2.gz PLECALRJTTXVHL-CYBMUJFWSA-N 2 0 253.390 1.143 20 30 CDEDRP N#Cc1ccc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000112839424 374231548 /nfs/dbraw/zinc/23/15/48/374231548.db2.gz XDYNYADYOYMNFJ-HZPDHXFCSA-N 2 0 271.364 1.511 20 30 CDEDRP Cn1ccnc1N1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000266916890 190290535 /nfs/dbraw/zinc/29/05/35/190290535.db2.gz KSXNFQDFRFCCAJ-UHFFFAOYSA-N 2 0 299.353 1.753 20 30 CDEDRP COc1ccc(CNC(=[NH2+])NCCC[NH+](C)C)cc1OC ZINC000104152827 390484684 /nfs/dbraw/zinc/48/46/84/390484684.db2.gz OLARUGADYLBWKJ-UHFFFAOYSA-N 2 0 294.399 1.060 20 30 CDEDRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442781106 391033615 /nfs/dbraw/zinc/03/36/15/391033615.db2.gz LYGJFRDJMHNNKG-LSDHHAIUSA-N 2 0 264.417 1.296 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H](C)N(C)Cc1ccccc1 ZINC000267474137 391197164 /nfs/dbraw/zinc/19/71/64/391197164.db2.gz YTKXXTZZJYDLPM-UONOGXRCSA-N 2 0 292.427 1.446 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H]([NH3+])C1)C(C)C ZINC000417061322 391342009 /nfs/dbraw/zinc/34/20/09/391342009.db2.gz KYXOBTVOOLRTKI-CABCVRRESA-N 2 0 294.443 1.428 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N(C)Cc1ccon1 ZINC000261860490 391717041 /nfs/dbraw/zinc/71/70/41/391717041.db2.gz ZGTADCDGYFPRBS-LBPRGKRZSA-N 2 0 291.399 1.166 20 30 CDEDRP CN1CC[NH+]=C1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000262663281 391808383 /nfs/dbraw/zinc/80/83/83/391808383.db2.gz NOVBCFLJLYAWRR-MRXNPFEDSA-N 2 0 286.423 1.442 20 30 CDEDRP C=CC[C@H]1CCC[N@@H+](CC(=O)N2CCN(C)CC2)C1 ZINC000661378218 414035453 /nfs/dbraw/zinc/03/54/53/414035453.db2.gz APBHHGORUBKSBX-AWEZNQCLSA-N 2 0 265.401 1.049 20 30 CDEDRP CC[NH+]=C(NCc1c(C)noc1C)NC[C@@H]1CC[N@H+](C)C1 ZINC000156714104 261129807 /nfs/dbraw/zinc/12/98/07/261129807.db2.gz MHBMSFSDFYAIPF-ZDUSSCGKSA-N 2 0 293.415 1.298 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1occc1C ZINC000291897763 263126434 /nfs/dbraw/zinc/12/64/34/263126434.db2.gz KJKPSFPUCAUQCN-LBPRGKRZSA-N 2 0 264.373 1.477 20 30 CDEDRP CCCNC(=[NH2+])NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272898718 328201189 /nfs/dbraw/zinc/20/11/89/328201189.db2.gz JOZXXEXDMRDHGG-OAHLLOKOSA-N 2 0 290.411 1.068 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000171714455 329078855 /nfs/dbraw/zinc/07/88/55/329078855.db2.gz ZUHJALBWONAHRY-HNNXBMFYSA-N 2 0 279.428 1.627 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCOC[C@@H]1C ZINC000262638568 330023971 /nfs/dbraw/zinc/02/39/71/330023971.db2.gz HGVOBWOZIBPHAA-MELADBBJSA-N 2 0 282.432 1.048 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)N1 ZINC000262648906 330024447 /nfs/dbraw/zinc/02/44/47/330024447.db2.gz JZMNFELCVVFBKU-VXGBXAGGSA-N 2 0 252.406 1.434 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NC(C)(C)CC[NH3+])CC1 ZINC000422590799 330149667 /nfs/dbraw/zinc/14/96/67/330149667.db2.gz BJCAZXDTLWSZBE-UHFFFAOYSA-N 2 0 268.405 1.063 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423096584 330169890 /nfs/dbraw/zinc/16/98/90/330169890.db2.gz PMIDPIKGNVJGON-XGUBFFRZSA-N 2 0 252.402 1.945 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000424131612 330263739 /nfs/dbraw/zinc/26/37/39/330263739.db2.gz JJOVGOBDAZVRPS-HNNXBMFYSA-N 2 0 292.427 1.531 20 30 CDEDRP C[NH+](C)CCN(C(=O)[C@H]([NH3+])CCCC#N)C1CCCC1 ZINC000424186781 330320972 /nfs/dbraw/zinc/32/09/72/330320972.db2.gz HNDSUXBOSQOILK-CQSZACIVSA-N 2 0 280.416 1.340 20 30 CDEDRP Cc1cc(C[NH3+])cc(NC(=O)[C@H]([NH3+])CCCC#N)c1 ZINC000424249144 330332089 /nfs/dbraw/zinc/33/20/89/330332089.db2.gz VPHKABYCOQKACW-CYBMUJFWSA-N 2 0 260.341 1.413 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N(C)CCC[NH+]1CCCC1 ZINC000491628268 332251393 /nfs/dbraw/zinc/25/13/93/332251393.db2.gz VFCHHCHSXNCVGV-UHFFFAOYSA-N 2 0 294.443 1.069 20 30 CDEDRP C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001755251399 1159812707 /nfs/dbraw/zinc/81/27/07/1159812707.db2.gz YXBMSIBGXZXWNN-ZIAGYGMSSA-N 2 0 281.444 1.777 20 30 CDEDRP C#CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001753712743 1159891810 /nfs/dbraw/zinc/89/18/10/1159891810.db2.gz QRNOPRYVPUNAJR-CYBMUJFWSA-N 2 0 267.417 1.034 20 30 CDEDRP CCC#C[C@@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000678720688 483152129 /nfs/dbraw/zinc/15/21/29/483152129.db2.gz XZYGROGWKHWFPK-OAHLLOKOSA-N 2 0 265.445 1.746 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001113346121 1162159607 /nfs/dbraw/zinc/15/96/07/1162159607.db2.gz QASYZMMHWUFYCG-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001022107051 687586402 /nfs/dbraw/zinc/58/64/02/687586402.db2.gz PPKZHPOANBZXFI-RFQIPJPRSA-N 2 0 265.401 1.140 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000947685308 613017343 /nfs/dbraw/zinc/01/73/43/613017343.db2.gz MQUWIRYEFZBLJS-GOEBONIOSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972484951 613084098 /nfs/dbraw/zinc/08/40/98/613084098.db2.gz HQIZTDOBRAHUDU-HZPDHXFCSA-N 2 0 291.439 1.415 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000972552394 613094727 /nfs/dbraw/zinc/09/47/27/613094727.db2.gz PJDACBJZAXDNGQ-KRWDZBQOSA-N 2 0 299.418 1.528 20 30 CDEDRP C#CC[NH+]1CCCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC000982012512 613140429 /nfs/dbraw/zinc/14/04/29/613140429.db2.gz YFTHEGPDJDURRW-OAHLLOKOSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000968780399 613148146 /nfs/dbraw/zinc/14/81/46/613148146.db2.gz FEQWIZWZKVHCMY-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000970158517 613303189 /nfs/dbraw/zinc/30/31/89/613303189.db2.gz RIHLNSOODNYDQG-ZDUSSCGKSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000961790722 613562697 /nfs/dbraw/zinc/56/26/97/613562697.db2.gz RRHXMUGGKQWRCW-FOLVSLTJSA-N 2 0 291.439 1.341 20 30 CDEDRP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000969145108 613683518 /nfs/dbraw/zinc/68/35/18/613683518.db2.gz YEWYKSXMXOQJDY-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[N@H+]1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000982086080 613688281 /nfs/dbraw/zinc/68/82/81/613688281.db2.gz FQOBJCSZMAQEJY-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975060156 613806221 /nfs/dbraw/zinc/80/62/21/613806221.db2.gz IMHATBZZJXFWGK-UONOGXRCSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000980244181 613820168 /nfs/dbraw/zinc/82/01/68/613820168.db2.gz XXRLXLHAVKFYCA-HRCADAONSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946517151 613832902 /nfs/dbraw/zinc/83/29/02/613832902.db2.gz ACNIMARLJDBBLY-OWCLPIDISA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000970385421 613863039 /nfs/dbraw/zinc/86/30/39/613863039.db2.gz NAWRDUVMHPDJFU-OAHLLOKOSA-N 2 0 279.428 1.483 20 30 CDEDRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]CC#Cc1ccccc1 ZINC000892950959 617967612 /nfs/dbraw/zinc/96/76/12/617967612.db2.gz IYHPPCPPAPKUPI-GOSISDBHSA-N 2 0 286.419 1.865 20 30 CDEDRP C[C@H](CCCC[NH3+])[NH2+]CCNc1ccc(C#N)cn1 ZINC000925892843 617987394 /nfs/dbraw/zinc/98/73/94/617987394.db2.gz GIOLAMQJSYUENQ-GFCCVEGCSA-N 2 0 261.373 1.472 20 30 CDEDRP C#CCN(C)CCC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000894863810 619107355 /nfs/dbraw/zinc/10/73/55/619107355.db2.gz UPCYMGFOXQWIOX-HNNXBMFYSA-N 2 0 277.412 1.630 20 30 CDEDRP C[C@H](C#N)OCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000801933856 625380362 /nfs/dbraw/zinc/38/03/62/625380362.db2.gz GSYKQJNNXAPMFV-FMKPAKJESA-N 2 0 277.412 1.864 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000928660065 620420105 /nfs/dbraw/zinc/42/01/05/620420105.db2.gz GJJGYUCYJFRAFV-HNNXBMFYSA-N 2 0 291.439 1.322 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911674587 629404647 /nfs/dbraw/zinc/40/46/47/629404647.db2.gz VGAKANAQTVJYHD-KGLIPLIRSA-N 2 0 269.433 1.933 20 30 CDEDRP C#CCCCCCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000876966107 685277847 /nfs/dbraw/zinc/27/78/47/685277847.db2.gz MWZTZXUCJLVSBD-HNNXBMFYSA-N 2 0 252.402 1.616 20 30 CDEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000843340473 685300735 /nfs/dbraw/zinc/30/07/35/685300735.db2.gz QKEYKYSJPFESKP-BFHYXJOUSA-N 2 0 256.353 1.431 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(CN(C)C)on1 ZINC001027983628 685302063 /nfs/dbraw/zinc/30/20/63/685302063.db2.gz BQASDSLTZSLTLB-GFCCVEGCSA-N 2 0 292.383 1.116 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001074684564 685468642 /nfs/dbraw/zinc/46/86/42/685468642.db2.gz WLJFZHAHAIMEOC-JYJNAYRXSA-N 2 0 291.439 1.177 20 30 CDEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005383462 684366592 /nfs/dbraw/zinc/36/65/92/684366592.db2.gz HMUQZJQXWMRUSU-INIZCTEOSA-N 2 0 291.439 1.415 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001032780749 684461222 /nfs/dbraw/zinc/46/12/22/684461222.db2.gz CJCIAUMZYBSTPL-ILXRZTDVSA-N 2 0 277.412 1.189 20 30 CDEDRP C=CCNC(=[NH2+])NCCCC[N@H+]1CCCC[C@H]1C ZINC000848989138 684547943 /nfs/dbraw/zinc/54/79/43/684547943.db2.gz AKFRBRIMRQCMHX-CYBMUJFWSA-N 2 0 252.406 1.941 20 30 CDEDRP CCCCNC(=[NH2+])NCC(C)(C)[NH+]1CCCCC1 ZINC000303784461 684572485 /nfs/dbraw/zinc/57/24/85/684572485.db2.gz PCHMDZKSPVKYKD-UHFFFAOYSA-N 2 0 254.422 1.955 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000997182613 684610146 /nfs/dbraw/zinc/61/01/46/684610146.db2.gz HGPLMTHGICNXQF-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001033192131 684659704 /nfs/dbraw/zinc/65/97/04/684659704.db2.gz NZDQLIIBENHCOM-CYBMUJFWSA-N 2 0 284.363 1.895 20 30 CDEDRP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001049717096 684665727 /nfs/dbraw/zinc/66/57/27/684665727.db2.gz CRVPLHHRASHOEA-HRCADAONSA-N 2 0 289.423 1.027 20 30 CDEDRP CC(C)(C)[C@@H](CN)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000923369376 684711304 /nfs/dbraw/zinc/71/13/04/684711304.db2.gz YDRPBFOOESQWJO-DZGCQCFKSA-N 2 0 291.395 1.261 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001018962955 684805905 /nfs/dbraw/zinc/80/59/05/684805905.db2.gz RNHXJHRQWOCTCI-GJZGRUSLSA-N 2 0 279.428 1.341 20 30 CDEDRP C#CCC[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001005993173 684822554 /nfs/dbraw/zinc/82/25/54/684822554.db2.gz ZIRVZCOTGAERFE-OAHLLOKOSA-N 2 0 291.439 1.274 20 30 CDEDRP CN(C)C(=[NH+]CCCCCCC[NH+](C)C)N(C)C ZINC000303899831 684831556 /nfs/dbraw/zinc/83/15/56/684831556.db2.gz WHZUWSKLCUAHID-UHFFFAOYSA-N 2 0 256.438 1.978 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001038443162 684862475 /nfs/dbraw/zinc/86/24/75/684862475.db2.gz GQHMTRYNCVKYBT-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001050138647 685180371 /nfs/dbraw/zinc/18/03/71/685180371.db2.gz ONZFISHVRYGJCT-HRCADAONSA-N 2 0 291.439 1.580 20 30 CDEDRP C[C@@H]1CN(C(C)(C)CNC(=[NH2+])N2CCCCC2)C[C@@H](C)O1 ZINC000104159015 685230114 /nfs/dbraw/zinc/23/01/14/685230114.db2.gz ALWPKSXPOGRAOC-ZIAGYGMSSA-N 2 0 296.459 1.675 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000989524881 685749472 /nfs/dbraw/zinc/74/94/72/685749472.db2.gz ZMFMBYUPFZOZDQ-DZGCQCFKSA-N 2 0 279.428 1.483 20 30 CDEDRP C[C@H](CNC(=[NH2+])NC(C)(C)C)[NH+]1CCC(C)CC1 ZINC000303898218 685776213 /nfs/dbraw/zinc/77/62/13/685776213.db2.gz VKLSJYIFGYKJNV-GFCCVEGCSA-N 2 0 254.422 1.810 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001000991945 685835239 /nfs/dbraw/zinc/83/52/39/685835239.db2.gz KCFJEFLJNCRJGU-OAHLLOKOSA-N 2 0 279.428 1.629 20 30 CDEDRP C[C@H]1CCC[C@@](CNC(=[NH2+])N2CCOCC2)([NH+](C)C)C1 ZINC000303893092 685850632 /nfs/dbraw/zinc/85/06/32/685850632.db2.gz RQPJTLQBEPGFJF-DZGCQCFKSA-N 2 0 282.432 1.144 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001050144686 685866644 /nfs/dbraw/zinc/86/66/44/685866644.db2.gz MRDWJZFZPSLZRG-HRCADAONSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)Cn3ccnc3C)C2)C1 ZINC001041833074 685867009 /nfs/dbraw/zinc/86/70/09/685867009.db2.gz LJUQXSFVHIFJHC-INIZCTEOSA-N 2 0 288.395 1.302 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001052869435 685875241 /nfs/dbraw/zinc/87/52/41/685875241.db2.gz DONUAEPCMYVYFO-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015998197 685892434 /nfs/dbraw/zinc/89/24/34/685892434.db2.gz MQZVBBYJBYSHRG-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000996663511 685957201 /nfs/dbraw/zinc/95/72/01/685957201.db2.gz GWURFTNDDCCOQI-HNNXBMFYSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001032664488 686008335 /nfs/dbraw/zinc/00/83/35/686008335.db2.gz DYPWEFFJPWFKAS-JYJNAYRXSA-N 2 0 291.439 1.722 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC001027971598 686035426 /nfs/dbraw/zinc/03/54/26/686035426.db2.gz HYTTVOFYQIXYMW-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001028537830 686046117 /nfs/dbraw/zinc/04/61/17/686046117.db2.gz SREGCENACXWICG-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000999291625 686054090 /nfs/dbraw/zinc/05/40/90/686054090.db2.gz DLTBEYNMFFAFEV-HESLUPGFSA-N 2 0 279.428 1.482 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001007632841 686058098 /nfs/dbraw/zinc/05/80/98/686058098.db2.gz BYDVGBBGUKQANW-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001015605464 686071110 /nfs/dbraw/zinc/07/11/10/686071110.db2.gz OBKXLUADZZPIDK-MELADBBJSA-N 2 0 265.401 1.093 20 30 CDEDRP CC[NH+](CC)CCCNC(=[NH2+])NCCc1ccccc1 ZINC000303690744 686146036 /nfs/dbraw/zinc/14/60/36/686146036.db2.gz AAQOEWRUJUTXES-UHFFFAOYSA-N 2 0 276.428 1.865 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001032454093 686352113 /nfs/dbraw/zinc/35/21/13/686352113.db2.gz CVPALMMVQFYYIN-PMPSAXMXSA-N 2 0 291.439 1.722 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N(CC)C1CC[NH+](C)CC1 ZINC000861892719 686388049 /nfs/dbraw/zinc/38/80/49/686388049.db2.gz PGQPQSDCTAOWLO-UHFFFAOYSA-N 2 0 253.390 1.047 20 30 CDEDRP C#CCC[N@H+]1CC[C@@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046450655 686483327 /nfs/dbraw/zinc/48/33/27/686483327.db2.gz VIPPOJRVFFBZPV-QGZVFWFLSA-N 2 0 296.374 1.552 20 30 CDEDRP N#Cc1ccc([C@H](O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000923357467 686588407 /nfs/dbraw/zinc/58/84/07/686588407.db2.gz OAWROQUUIQZSES-QZTJIDSGSA-N 2 0 299.418 1.913 20 30 CDEDRP C=CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033837909 686599492 /nfs/dbraw/zinc/59/94/92/686599492.db2.gz KUDNGSLPJOOWGL-HRCADAONSA-N 2 0 293.455 1.826 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001074695329 686783825 /nfs/dbraw/zinc/78/38/25/686783825.db2.gz WZMYCNUIAGTVOC-ZNMIVQPWSA-N 2 0 277.412 1.073 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999595752 686803062 /nfs/dbraw/zinc/80/30/62/686803062.db2.gz IXZGZFTTXBTYFF-HNNXBMFYSA-N 2 0 291.439 1.772 20 30 CDEDRP C#CCN1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000886660653 686872068 /nfs/dbraw/zinc/87/20/68/686872068.db2.gz CANYRLDOKOIHHC-WZYMTQMTSA-N 2 0 261.413 1.299 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1scnc1C ZINC000104193702 687017132 /nfs/dbraw/zinc/01/71/32/687017132.db2.gz CEWAWPIIZOQPBW-LLVKDONJSA-N 2 0 281.429 1.340 20 30 CDEDRP CCCCOCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000303901002 687022198 /nfs/dbraw/zinc/02/21/98/687022198.db2.gz XAUOTXLBJDLFFP-ZDUSSCGKSA-N 2 0 270.421 1.192 20 30 CDEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001027919747 687051654 /nfs/dbraw/zinc/05/16/54/687051654.db2.gz AQGIKRVVXIXEIT-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C[C@@](C[NH3+])([NH2+]C[C@@H](O)COc1ccccc1C#N)C1CC1 ZINC000923296425 687097880 /nfs/dbraw/zinc/09/78/80/687097880.db2.gz RQGJPVLXTDLKND-ZBFHGGJFSA-N 2 0 289.379 1.015 20 30 CDEDRP CNC(NCC1CC[NH+](Cc2ccncc2)CC1)=[NH+]C ZINC000849215142 687122818 /nfs/dbraw/zinc/12/28/18/687122818.db2.gz PWSLIHGMZNKNKR-UHFFFAOYSA-N 2 0 275.400 1.088 20 30 CDEDRP C#CCC[NH+]1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006294075 687149729 /nfs/dbraw/zinc/14/97/29/687149729.db2.gz JXKPIQNINWZMEX-HNNXBMFYSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CCN(C(=O)CCCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000886581342 687333933 /nfs/dbraw/zinc/33/39/33/687333933.db2.gz UINVTXQYMQCVLE-UHFFFAOYSA-N 2 0 279.428 1.274 20 30 CDEDRP C[NH+]=C(NCC[N@H+](C)C(C)C)N1CC[C@]2(CCOC2)C1 ZINC000262015397 687400754 /nfs/dbraw/zinc/40/07/54/687400754.db2.gz XPNQXWIPMQCIKQ-HNNXBMFYSA-N 2 0 282.432 1.014 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071996276 687486294 /nfs/dbraw/zinc/48/62/94/687486294.db2.gz QCRRNXGXVNUYRV-KGLIPLIRSA-N 2 0 277.412 1.237 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000303906593 687553172 /nfs/dbraw/zinc/55/31/72/687553172.db2.gz ZYLIINNRCNWJPC-CHWSQXEVSA-N 2 0 284.448 1.436 20 30 CDEDRP C#CC[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028901488 687836173 /nfs/dbraw/zinc/83/61/73/687836173.db2.gz YCAXHDOFHOIHAQ-OAHLLOKOSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]cn3)CC[C@@H]21 ZINC001036734052 687957237 /nfs/dbraw/zinc/95/72/37/687957237.db2.gz LWSKJFTVBSPYLP-HIFRSBDPSA-N 2 0 288.395 1.451 20 30 CDEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006401588 688047407 /nfs/dbraw/zinc/04/74/07/688047407.db2.gz STNNRXBBBXKIKB-CQSZACIVSA-N 2 0 279.428 1.437 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(NC[C@@]1(C)CCCS1)=[NH+]C ZINC000261931627 688065309 /nfs/dbraw/zinc/06/53/09/688065309.db2.gz BLLSJHUPCVQXSA-UKRRQHHQSA-N 2 0 298.500 1.921 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130709245 1162697164 /nfs/dbraw/zinc/69/71/64/1162697164.db2.gz XZHZJNYESWFYIT-CQSZACIVSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131375142 1162882617 /nfs/dbraw/zinc/88/26/17/1162882617.db2.gz ULWWLTVNESJOSZ-UHFFFAOYSA-N 2 0 272.352 1.620 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790227 1163048240 /nfs/dbraw/zinc/04/82/40/1163048240.db2.gz JCDCYONZQIWPIK-HOCLYGCPSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001112906737 1162057449 /nfs/dbraw/zinc/05/74/49/1162057449.db2.gz NHFNPAHEINYXFD-HNNXBMFYSA-N 2 0 299.434 1.777 20 30 CDEDRP C=CCCCCC[NH+]1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001113300336 1162148487 /nfs/dbraw/zinc/14/84/87/1162148487.db2.gz RIGFKJJIVFMZBJ-UHFFFAOYSA-N 2 0 281.444 1.829 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001113686495 1162255735 /nfs/dbraw/zinc/25/57/35/1162255735.db2.gz GWUZCLOFZPNXTA-OAHLLOKOSA-N 2 0 281.444 1.826 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133090652 1163567629 /nfs/dbraw/zinc/56/76/29/1163567629.db2.gz JWFXEYXVJUXBBU-GJZGRUSLSA-N 2 0 281.444 1.588 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135706116 1164169393 /nfs/dbraw/zinc/16/93/93/1164169393.db2.gz PBDQNGGHCSXHQR-KGLIPLIRSA-N 2 0 269.433 1.777 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001155174947 1167102345 /nfs/dbraw/zinc/10/23/45/1167102345.db2.gz MOOUUORSALRHMO-HUUCEWRRSA-N 2 0 281.444 1.567 20 30 CDEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001713876649 1178807821 /nfs/dbraw/zinc/80/78/21/1178807821.db2.gz PBYGRLJVUDKUJQ-LSDHHAIUSA-N 2 0 279.428 1.080 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001713923241 1178847441 /nfs/dbraw/zinc/84/74/41/1178847441.db2.gz BKOGTNSMNCQATO-CQSZACIVSA-N 2 0 267.417 1.197 20 30 CDEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001752308300 1184849748 /nfs/dbraw/zinc/84/97/48/1184849748.db2.gz KVIGQEYPWMQYNF-UHFFFAOYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)CC[NH+]1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001753413680 1185193974 /nfs/dbraw/zinc/19/39/74/1185193974.db2.gz LIRFFHNAOKPZED-AWEZNQCLSA-N 2 0 279.428 1.342 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001754598175 1185678813 /nfs/dbraw/zinc/67/88/13/1185678813.db2.gz HPYJNJJQGNEYDI-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CCC[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001754734487 1185718077 /nfs/dbraw/zinc/71/80/77/1185718077.db2.gz WNPGRJOCNTTZJP-QGZVFWFLSA-N 2 0 293.455 1.568 20 30 CDEDRP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C1CCC1 ZINC001755195744 1185849159 /nfs/dbraw/zinc/84/91/59/1185849159.db2.gz XKXBNTJPZISUGB-INIZCTEOSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001755478587 1185963688 /nfs/dbraw/zinc/96/36/88/1185963688.db2.gz INBOEJORJRJPAD-BZUAXINKSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CC[NH2+]CCC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001755504744 1185974609 /nfs/dbraw/zinc/97/46/09/1185974609.db2.gz BLMYILUNBDZNGV-CQSZACIVSA-N 2 0 279.428 1.675 20 30 CDEDRP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001755676510 1186033924 /nfs/dbraw/zinc/03/39/24/1186033924.db2.gz QFNVLBAYWSCHLM-ZIAGYGMSSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001755748664 1186056316 /nfs/dbraw/zinc/05/63/16/1186056316.db2.gz YALCVAROCZPBLY-GJZGRUSLSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CC[N@H+]1CC=C(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001755894167 1186104306 /nfs/dbraw/zinc/10/43/06/1186104306.db2.gz ODPQDLJUXGDDLI-UHFFFAOYSA-N 2 0 291.439 1.653 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001088939787 912337293 /nfs/dbraw/zinc/33/72/93/912337293.db2.gz JXQXGFFONRCDFL-CVEARBPZSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127262739 913338922 /nfs/dbraw/zinc/33/89/22/913338922.db2.gz PVIZTUIYWNGPKY-UONOGXRCSA-N 2 0 265.401 1.143 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106663004 914107150 /nfs/dbraw/zinc/10/71/50/914107150.db2.gz NDKWWPQLOJVRTF-QLFBSQMISA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001098224675 897529012 /nfs/dbraw/zinc/52/90/12/897529012.db2.gz AABIWLYOENWBBD-KFWWJZLASA-N 2 0 289.423 1.380 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001167733141 899533574 /nfs/dbraw/zinc/53/35/74/899533574.db2.gz VOHYYZCZRCRBOL-OAHLLOKOSA-N 2 0 291.439 1.228 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127481136 914747285 /nfs/dbraw/zinc/74/72/85/914747285.db2.gz PWVFLFJQVXOEDV-AWEZNQCLSA-N 2 0 265.401 1.000 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168029484 905925731 /nfs/dbraw/zinc/92/57/31/905925731.db2.gz GMNVVJIZNUCQRT-CABCVRRESA-N 2 0 277.412 1.123 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168031372 905951628 /nfs/dbraw/zinc/95/16/28/905951628.db2.gz ZSLOJFNZDOTJLE-HUUCEWRRSA-N 2 0 279.428 1.675 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001088413417 907128914 /nfs/dbraw/zinc/12/89/14/907128914.db2.gz FWXYTNFRGCZHSI-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001088413415 907128956 /nfs/dbraw/zinc/12/89/56/907128956.db2.gz FWXYTNFRGCZHSI-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001168135755 907356613 /nfs/dbraw/zinc/35/66/13/907356613.db2.gz DELXWWKVGVNMQG-CQSZACIVSA-N 2 0 279.428 1.390 20 30 CDEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189400820 921474035 /nfs/dbraw/zinc/47/40/35/921474035.db2.gz OLWJLKQTVDFMTR-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203336987 910992997 /nfs/dbraw/zinc/99/29/97/910992997.db2.gz CPXMGYJMFVEUNF-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP COCCC[NH+]1CCC([NH2+]CC(C)(C)S)CC1 ZINC001172246492 911517097 /nfs/dbraw/zinc/51/70/97/911517097.db2.gz JXRQGNSPWGGTKU-UHFFFAOYSA-N 2 0 260.447 1.785 20 30 CDEDRP C=CCN1CCC2(CC[NH+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001273030186 921687102 /nfs/dbraw/zinc/68/71/02/921687102.db2.gz MFFLTHVNZLSECL-UHFFFAOYSA-N 2 0 291.439 1.487 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H]1C ZINC001088857704 911974504 /nfs/dbraw/zinc/97/45/04/911974504.db2.gz BDCXTXSWXACFOJ-KFWWJZLASA-N 2 0 279.428 1.626 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC001088860416 911993772 /nfs/dbraw/zinc/99/37/72/911993772.db2.gz KGPJVPCKDXSFOM-CABCVRRESA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001097853901 936396180 /nfs/dbraw/zinc/39/61/80/936396180.db2.gz QMHLKRRWCMOEDK-JJXSEGSLSA-N 2 0 289.423 1.073 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001183582343 918553113 /nfs/dbraw/zinc/55/31/13/918553113.db2.gz VJGKLRDVHJYEBD-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001001464006 936552512 /nfs/dbraw/zinc/55/25/12/936552512.db2.gz SWQJXPZCEMETTL-MRXNPFEDSA-N 2 0 291.439 1.795 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001185029925 919386010 /nfs/dbraw/zinc/38/60/10/919386010.db2.gz JJUHJDAWNGBNNR-GJZGRUSLSA-N 2 0 281.444 1.588 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185230388 919487773 /nfs/dbraw/zinc/48/77/73/919487773.db2.gz OZYHXMMEMZGZDJ-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001185445719 919598697 /nfs/dbraw/zinc/59/86/97/919598697.db2.gz HVNSMYHDALKZIM-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001185535216 919663970 /nfs/dbraw/zinc/66/39/70/919663970.db2.gz BXNKDDMLPVLMNN-LSDHHAIUSA-N 2 0 279.428 1.036 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203037099 936711249 /nfs/dbraw/zinc/71/12/49/936711249.db2.gz RLLAPZRIQPPFEL-LSDHHAIUSA-N 2 0 289.423 1.121 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191145517 922445776 /nfs/dbraw/zinc/44/57/76/922445776.db2.gz WEAMARCBQWGKNG-HNNXBMFYSA-N 2 0 291.439 1.724 20 30 CDEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191967915 922859170 /nfs/dbraw/zinc/85/91/70/922859170.db2.gz NVWHGYXPQVNRIQ-HRCADAONSA-N 2 0 291.439 1.273 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203102672 936829254 /nfs/dbraw/zinc/82/92/54/936829254.db2.gz IWKYDIOWRPFOSR-KBPBESRZSA-N 2 0 293.455 1.920 20 30 CDEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCC1 ZINC001273153947 923445422 /nfs/dbraw/zinc/44/54/22/923445422.db2.gz IWXDTKLGVHRZRO-ZDUSSCGKSA-N 2 0 267.417 1.531 20 30 CDEDRP C[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)CC[C@@H]1C[NH3+] ZINC001205638107 923778823 /nfs/dbraw/zinc/77/88/23/923778823.db2.gz LKAKOJTZVPOXCI-CHWSQXEVSA-N 2 0 258.369 1.760 20 30 CDEDRP C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001079495082 924341271 /nfs/dbraw/zinc/34/12/71/924341271.db2.gz XOIKVZWJNDXHJN-RTXFEEFZSA-N 2 0 285.819 1.270 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001082448022 924934495 /nfs/dbraw/zinc/93/44/95/924934495.db2.gz ANQOTWIYRLLRNJ-MGPQQGTHSA-N 2 0 265.401 1.093 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001082447884 924934645 /nfs/dbraw/zinc/93/46/45/924934645.db2.gz UTFPWCZXGCUTSL-RTXFEEFZSA-N 2 0 285.819 1.270 20 30 CDEDRP C=CCCC[NH+]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001197158544 925078735 /nfs/dbraw/zinc/07/87/35/925078735.db2.gz RQKSWGVIVIITPW-INIZCTEOSA-N 2 0 293.455 1.829 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001084406360 925252875 /nfs/dbraw/zinc/25/28/75/925252875.db2.gz NKFULWNJNSJQKE-OAGGEKHMSA-N 2 0 291.439 1.435 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001084455347 925257348 /nfs/dbraw/zinc/25/73/48/925257348.db2.gz QHZFOXMEZFEBRU-BZUAXINKSA-N 2 0 289.423 1.027 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001202224631 926500880 /nfs/dbraw/zinc/50/08/80/926500880.db2.gz FIOVMBXIMHYEAX-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102782676 937087973 /nfs/dbraw/zinc/08/79/73/937087973.db2.gz OODJHFAVMIMEAO-KFWWJZLASA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001086399755 927077904 /nfs/dbraw/zinc/07/79/04/927077904.db2.gz KXKNBDCLJMAUDQ-VGWMRTNUSA-N 2 0 291.439 1.674 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103646603 937150185 /nfs/dbraw/zinc/15/01/85/937150185.db2.gz BGZFPOMGZSCCJK-HUUCEWRRSA-N 2 0 291.439 1.342 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CC)C1 ZINC001111926672 937255647 /nfs/dbraw/zinc/25/56/47/937255647.db2.gz CBYPQBCCZJSSBT-HOCLYGCPSA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001109444083 928939168 /nfs/dbraw/zinc/93/91/68/928939168.db2.gz RQVSJVSZQCPXCZ-BARDWOONSA-N 2 0 277.412 1.071 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001112964873 929609409 /nfs/dbraw/zinc/60/94/09/929609409.db2.gz BGZHMPZPORZNPG-OAHLLOKOSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152391537 937358456 /nfs/dbraw/zinc/35/84/56/937358456.db2.gz CIGAIOOSEBERGW-CABCVRRESA-N 2 0 297.443 1.110 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181052 930087188 /nfs/dbraw/zinc/08/71/88/930087188.db2.gz LONHQWFGBFBEEJ-KGLIPLIRSA-N 2 0 281.444 1.920 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001153801854 937471580 /nfs/dbraw/zinc/47/15/80/937471580.db2.gz AGZMWQCAWXABLB-CVEARBPZSA-N 2 0 293.455 1.424 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153824367 937474679 /nfs/dbraw/zinc/47/46/79/937474679.db2.gz ROWKKFWFKVVAJP-UKRRQHHQSA-N 2 0 279.428 1.177 20 30 CDEDRP COC(=O)c1ccc(C(=[NH2+])Nc2cccc(C[NH3+])c2)cc1 ZINC001170985274 931148057 /nfs/dbraw/zinc/14/80/57/931148057.db2.gz PSJIWWGBFGWFSV-UHFFFAOYSA-N 2 0 283.331 1.969 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930093 937483650 /nfs/dbraw/zinc/48/36/50/937483650.db2.gz GTVPZLNXWBIGGG-KGLIPLIRSA-N 2 0 267.417 1.032 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171159973 931753442 /nfs/dbraw/zinc/75/34/42/931753442.db2.gz BKOBEEAHYJHIMI-ZIAGYGMSSA-N 2 0 267.417 1.389 20 30 CDEDRP N#Cc1ccnc(-n2cc(CC[NH3+])c3c[nH+]ccc32)c1F ZINC001160945565 932241367 /nfs/dbraw/zinc/24/13/67/932241367.db2.gz FUIMHHFTSLUECO-UHFFFAOYSA-N 2 0 281.294 1.932 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1ccnc1 ZINC001146707032 932286190 /nfs/dbraw/zinc/28/61/90/932286190.db2.gz MLERNTQFSSIHFG-ZIAGYGMSSA-N 2 0 278.400 1.722 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001171354151 932857985 /nfs/dbraw/zinc/85/79/85/932857985.db2.gz IKEPKSZKWCPGMB-UHFFFAOYSA-N 2 0 262.357 1.043 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155791341 937674399 /nfs/dbraw/zinc/67/43/99/937674399.db2.gz WIYYEJWHERTZQJ-KBPBESRZSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ccnc1)C2 ZINC001096656396 936203109 /nfs/dbraw/zinc/20/31/09/936203109.db2.gz KYIWVEDRCHVUSO-RDBSUJKOSA-N 2 0 274.368 1.181 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001122021002 937899839 /nfs/dbraw/zinc/89/98/39/937899839.db2.gz KEMJTWAYFUIDPG-MELADBBJSA-N 2 0 287.423 1.881 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156403725 938363195 /nfs/dbraw/zinc/36/31/95/938363195.db2.gz PUJVSBMXFSCMPK-CYBMUJFWSA-N 2 0 265.401 1.095 20 30 CDEDRP N#Cc1cc2c(nc1NC(=[NH2+])NCCCC[NH3+])CCC2 ZINC001157099645 938454363 /nfs/dbraw/zinc/45/43/63/938454363.db2.gz ROWLYAKJUHTAMW-UHFFFAOYSA-N 2 0 272.356 1.117 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157886679 938557489 /nfs/dbraw/zinc/55/74/89/938557489.db2.gz KPGNNXXNQVVLOW-CYBMUJFWSA-N 2 0 287.835 1.708 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158412937 938619671 /nfs/dbraw/zinc/61/96/71/938619671.db2.gz UCSGSHASRYKYRA-LSDHHAIUSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158450831 938626975 /nfs/dbraw/zinc/62/69/75/938626975.db2.gz ZMAMFJNOPLUISL-OAHLLOKOSA-N 2 0 279.428 1.274 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[NH2+]C1 ZINC001160695091 938814787 /nfs/dbraw/zinc/81/47/87/938814787.db2.gz IEDKGMMHXAZATH-CABCVRRESA-N 2 0 281.444 1.908 20 30 CDEDRP C#CC[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001161645743 938917079 /nfs/dbraw/zinc/91/70/79/938917079.db2.gz QBYIGKRMUPVBHK-UHFFFAOYSA-N 2 0 277.412 1.100 20 30 CDEDRP Cc1ccnc(NCCC[NH2+]CCCC[NH3+])c1C#N ZINC001162290130 938972108 /nfs/dbraw/zinc/97/21/08/938972108.db2.gz KFJCFDQYEMXTNX-UHFFFAOYSA-N 2 0 261.373 1.392 20 30 CDEDRP N#Cc1c[nH]c2nc(NCCC[NH2+]CCCC[NH3+])ccc12 ZINC001162292006 938972470 /nfs/dbraw/zinc/97/24/70/938972470.db2.gz KPVNVGFNLQEXBL-UHFFFAOYSA-N 2 0 286.383 1.565 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1COCCN1CCCC ZINC001163274951 939237893 /nfs/dbraw/zinc/23/78/93/939237893.db2.gz LJRPRTMXYDKIQV-HNNXBMFYSA-N 2 0 297.443 1.159 20 30 CDEDRP N#CCc1cc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc[nH+]1 ZINC001163290582 939241031 /nfs/dbraw/zinc/24/10/31/939241031.db2.gz JUJMWJWWSCSCNQ-CZUORRHYSA-N 2 0 286.379 1.140 20 30 CDEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001163820914 939338154 /nfs/dbraw/zinc/33/81/54/939338154.db2.gz JNNAONYCIOEKQR-HNNXBMFYSA-N 2 0 293.455 1.923 20 30 CDEDRP C[C@@H]1CC[C@H](C[NH3+])CN1c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001164456873 939474754 /nfs/dbraw/zinc/47/47/54/939474754.db2.gz UNDRUOQKNURXFQ-CHWSQXEVSA-N 2 0 299.422 1.553 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001165569064 939570874 /nfs/dbraw/zinc/57/08/74/939570874.db2.gz QSTGAFBCMPTRRO-OAHLLOKOSA-N 2 0 293.455 1.923 20 30 CDEDRP C#CCOc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1OC ZINC001205033342 939817456 /nfs/dbraw/zinc/81/74/56/939817456.db2.gz BQNYIFZGQZVZMU-UHFFFAOYSA-N 2 0 288.391 1.878 20 30 CDEDRP COc1ccc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c(C#N)c1 ZINC001205221887 939838101 /nfs/dbraw/zinc/83/81/01/939838101.db2.gz XQANVQNUTWLNID-MRXNPFEDSA-N 2 0 289.379 1.243 20 30 CDEDRP N#Cc1ccc2c(C[N@H+]3CCC[C@@](O)(C[NH3+])CC3)c[nH]c2c1 ZINC001205230579 939839667 /nfs/dbraw/zinc/83/96/67/939839667.db2.gz SRTOCUJLTXPLPK-KRWDZBQOSA-N 2 0 298.390 1.715 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001205483533 939892513 /nfs/dbraw/zinc/89/25/13/939892513.db2.gz HQGYCWHPPLLKNS-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP N#Cc1cccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)n1 ZINC001205581445 939906051 /nfs/dbraw/zinc/90/60/51/939906051.db2.gz UDUHSXGQPTZQIT-CQSZACIVSA-N 2 0 262.332 1.606 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001205616692 939908873 /nfs/dbraw/zinc/90/88/73/939908873.db2.gz MFIDOHQFUNORAS-UHFFFAOYSA-N 2 0 289.423 1.076 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001206281250 940011079 /nfs/dbraw/zinc/01/10/79/940011079.db2.gz GBONYOZNDJQOAB-UKRRQHHQSA-N 2 0 279.428 1.198 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207641425 940225626 /nfs/dbraw/zinc/22/56/26/940225626.db2.gz MECVUWFZNYSGJD-MCIONIFRSA-N 2 0 267.417 1.195 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001209612518 940617303 /nfs/dbraw/zinc/61/73/03/940617303.db2.gz CFESGFNSWLNPOG-CVEARBPZSA-N 2 0 293.455 1.711 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210218180 940672734 /nfs/dbraw/zinc/67/27/34/940672734.db2.gz PHYFJYMISMFGAU-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210789873 940713633 /nfs/dbraw/zinc/71/36/33/940713633.db2.gz SIHWPTJYBHUTIW-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211301016 940746768 /nfs/dbraw/zinc/74/67/68/940746768.db2.gz QLJDVQBXLJDDOL-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C[C@]1(C[NH3+])CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000402166897 940889780 /nfs/dbraw/zinc/88/97/80/940889780.db2.gz RYKJIEUNPJRSBW-LSDHHAIUSA-N 2 0 259.353 1.262 20 30 CDEDRP N#C[C@@H]1C[NH2+]C[C@@H]1OCCCCC1CC[NH2+]CC1 ZINC001217832619 941022323 /nfs/dbraw/zinc/02/23/23/941022323.db2.gz PORBSWKTCXRWDQ-KGLIPLIRSA-N 2 0 251.374 1.284 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CCCCC)[NH2+]C ZINC001220868357 941479170 /nfs/dbraw/zinc/47/91/70/941479170.db2.gz HBRCPELYKIQLPX-GJZGRUSLSA-N 2 0 281.444 1.921 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)N[C@@H](C[NH3+])c2cccc(OC)c2)C1 ZINC001221405707 941531800 /nfs/dbraw/zinc/53/18/00/941531800.db2.gz VORDWRFKJSGAIN-HOCLYGCPSA-N 2 0 289.379 1.119 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]cn1 ZINC001226679210 942047060 /nfs/dbraw/zinc/04/70/60/942047060.db2.gz GENUGGWZQGHMBB-HUUCEWRRSA-N 2 0 290.411 1.935 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001228888809 942388758 /nfs/dbraw/zinc/38/87/58/942388758.db2.gz NJEMDTFASIQTHX-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001229909496 942552316 /nfs/dbraw/zinc/55/23/16/942552316.db2.gz XLYRXHVOIIJKIL-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230284841 942602081 /nfs/dbraw/zinc/60/20/81/942602081.db2.gz WTQDSSDUIPEYMY-HUUCEWRRSA-N 2 0 279.428 1.367 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001230377885 942615735 /nfs/dbraw/zinc/61/57/35/942615735.db2.gz BSABSQHCRARARX-MRXNPFEDSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001263109557 943750800 /nfs/dbraw/zinc/75/08/00/943750800.db2.gz AOPQFBIJQSAENX-ILXRZTDVSA-N 2 0 279.428 1.518 20 30 CDEDRP COc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1C#N ZINC001236322024 944468979 /nfs/dbraw/zinc/46/89/79/944468979.db2.gz SAYLGJWOGIDWFP-IYBDPMFKSA-N 2 0 285.391 1.998 20 30 CDEDRP C=CCOCc1nn([C@@H]2CCC[N@@H+](C)CC2)c2c1C[NH2+]C2 ZINC001254518099 947482080 /nfs/dbraw/zinc/48/20/80/947482080.db2.gz KJAVGKSREYTFPJ-CYBMUJFWSA-N 2 0 290.411 1.846 20 30 CDEDRP CCCCCCCC[C@H](O)C[NH2+][C@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001245987218 947882251 /nfs/dbraw/zinc/88/22/51/947882251.db2.gz XVNBJJLCSRXWFC-XQLPTFJDSA-N 2 0 254.418 1.905 20 30 CDEDRP C=CCCCCCC[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246024542 947904236 /nfs/dbraw/zinc/90/42/36/947904236.db2.gz USCRKBYTJWOHIK-KKUMJFAQSA-N 2 0 270.417 1.125 20 30 CDEDRP CCCCCCCC[C@@H](O)CN(CC[NH3+])CC[NH3+] ZINC001246056999 947919767 /nfs/dbraw/zinc/91/97/67/947919767.db2.gz RAQWPDNSASUGEQ-CQSZACIVSA-N 2 0 259.438 1.317 20 30 CDEDRP C[C@@]1(C[NH3+])CCCC[N@@H+]([C@@H]2CCN[C@H](C#N)C2)C1 ZINC001246597682 948334749 /nfs/dbraw/zinc/33/47/49/948334749.db2.gz YHXZREZEVRPNEB-MJBXVCDLSA-N 2 0 250.390 1.081 20 30 CDEDRP N#CC1CC[NH+](C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256688862 948399599 /nfs/dbraw/zinc/39/95/99/948399599.db2.gz NAWJGWNIBPNZFW-UHFFFAOYSA-N 2 0 277.412 1.865 20 30 CDEDRP C[NH+]1CCN(C2CC[NH+](C3CCC(C#N)CC3)CC2)CC1 ZINC001256968561 948466574 /nfs/dbraw/zinc/46/65/74/948466574.db2.gz HXOWFSJUNJFZFG-UHFFFAOYSA-N 2 0 290.455 1.781 20 30 CDEDRP C=CCOC[C@H](O)C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001252467060 951313883 /nfs/dbraw/zinc/31/38/83/951313883.db2.gz VELPNXCGTKGHQN-MRXNPFEDSA-N 2 0 284.444 1.602 20 30 CDEDRP C=CCC[C@H](O)C[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001252624134 951515355 /nfs/dbraw/zinc/51/53/55/951515355.db2.gz YFZRLKSFOKUHCH-HNNXBMFYSA-N 2 0 268.401 1.014 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)CCC[NH+](C)C)CC1 ZINC001423262410 956693313 /nfs/dbraw/zinc/69/33/13/956693313.db2.gz XNNVZLPCLFMDEP-UHFFFAOYSA-N 2 0 273.808 1.319 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001316990129 957189376 /nfs/dbraw/zinc/18/93/76/957189376.db2.gz FFIFLMHDHGVGBL-AWEZNQCLSA-N 2 0 267.417 1.485 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317137705 957295803 /nfs/dbraw/zinc/29/58/03/957295803.db2.gz IBBWCOYQPIHHKJ-LSDHHAIUSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC001340350576 962903050 /nfs/dbraw/zinc/90/30/50/962903050.db2.gz XYUKSGDAIYSIKR-KGLIPLIRSA-N 2 0 273.380 1.587 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001340719135 963089952 /nfs/dbraw/zinc/08/99/52/963089952.db2.gz KYCQQQABUFLMFN-OLZOCXBDSA-N 2 0 267.417 1.659 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001438670411 963518544 /nfs/dbraw/zinc/51/85/44/963518544.db2.gz AQWBRWXFGVYWGQ-GFCCVEGCSA-N 2 0 275.824 1.517 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001341942773 963585804 /nfs/dbraw/zinc/58/58/04/963585804.db2.gz IRYDGDKRAFKFQP-KBPBESRZSA-N 2 0 285.432 1.169 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H]1C ZINC001448982059 967323739 /nfs/dbraw/zinc/32/37/39/967323739.db2.gz PVYJLTOEPACBPC-CHWSQXEVSA-N 2 0 287.835 1.660 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1 ZINC001353967052 968380990 /nfs/dbraw/zinc/38/09/90/968380990.db2.gz OXURBQJPBZBTGB-AWEZNQCLSA-N 2 0 261.369 1.445 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)Cc1cnc[nH]1 ZINC001378813705 975500668 /nfs/dbraw/zinc/50/06/68/975500668.db2.gz AIPPOSCUWWVCCI-JTQLQIEISA-N 2 0 270.764 1.141 20 30 CDEDRP C#CC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790748 1163479698 /nfs/dbraw/zinc/47/96/98/1163479698.db2.gz JWMNGWHLZYXFMX-OAHLLOKOSA-N 2 0 277.412 1.123 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001133225988 1163609014 /nfs/dbraw/zinc/60/90/14/1163609014.db2.gz MBGZLFABNXBVJX-CVEARBPZSA-N 2 0 293.455 1.426 20 30 CDEDRP N#Cc1cccc(C[NH+]2CCC(N[C@H]3CCC[C@H]3[NH3+])CC2)c1 ZINC000593323589 342788409 /nfs/dbraw/zinc/78/84/09/342788409.db2.gz QPNQBXVGCQVXFT-MSOLQXFVSA-N 2 0 298.434 1.992 20 30 CDEDRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]([NH3+])CCCC#N ZINC000595944674 343205273 /nfs/dbraw/zinc/20/52/73/343205273.db2.gz UVHBQCLTYODAGV-UONOGXRCSA-N 2 0 280.416 1.244 20 30 CDEDRP N#CC1(CCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCOCC1 ZINC000619620097 349822760 /nfs/dbraw/zinc/82/27/60/349822760.db2.gz QBMDNPTYHXJUQF-KBPBESRZSA-N 2 0 263.385 1.238 20 30 CDEDRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602515921 344451674 /nfs/dbraw/zinc/45/16/74/344451674.db2.gz TUTAZTZSRROHEX-LSDHHAIUSA-N 2 0 266.433 1.542 20 30 CDEDRP C[C@@H](CCC#N)C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000602545114 344462148 /nfs/dbraw/zinc/46/21/48/344462148.db2.gz SUUQQOURHTXPDY-KBPBESRZSA-N 2 0 280.416 1.103 20 30 CDEDRP N#CCCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959018 345208159 /nfs/dbraw/zinc/20/81/59/345208159.db2.gz QHOWDRLGFGDPFB-UHFFFAOYSA-N 2 0 251.374 1.334 20 30 CDEDRP C[N@@H+]1CC[C@]2(CCN(Cc3cccc(C#N)n3)C2)C1 ZINC000602671777 350141029 /nfs/dbraw/zinc/14/10/29/350141029.db2.gz IIWDSJKRLAMCAR-HNNXBMFYSA-N 2 0 256.353 1.481 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629576840 363036231 /nfs/dbraw/zinc/03/62/31/363036231.db2.gz DFXSZYKIYWAFGY-ILXRZTDVSA-N 2 0 268.401 1.014 20 30 CDEDRP N#Cc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)s1 ZINC000176967276 366421172 /nfs/dbraw/zinc/42/11/72/366421172.db2.gz BAACUQUQHOCLIO-CYBMUJFWSA-N 2 0 293.436 1.946 20 30 CDEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CNCCO1)CC2 ZINC000570036853 359274219 /nfs/dbraw/zinc/27/42/19/359274219.db2.gz WJNKYASUKPTULF-HIFRSBDPSA-N 2 0 257.337 1.124 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000629958548 364265297 /nfs/dbraw/zinc/26/52/97/364265297.db2.gz NRHTYHMRGUHPEB-UHFFFAOYSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682578 364396172 /nfs/dbraw/zinc/39/61/72/364396172.db2.gz YUOIZIRUPCELSX-CQSZACIVSA-N 2 0 288.395 1.284 20 30 CDEDRP CN(C)C(=[NH2+])NCc1ccccc1OCC[NH+](C)C ZINC000170911467 365161232 /nfs/dbraw/zinc/16/12/32/365161232.db2.gz SIYVNEISCJZBKP-UHFFFAOYSA-N 2 0 264.373 1.003 20 30 CDEDRP C[C@@H]1CN(Cc2cccc(CNC(=[NH2+])N(C)C)c2)CCO1 ZINC000170910728 365161391 /nfs/dbraw/zinc/16/13/91/365161391.db2.gz DMPJQHNHWLFATD-CYBMUJFWSA-N 2 0 290.411 1.284 20 30 CDEDRP COc1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])ccc1C#N ZINC000414800109 241393771 /nfs/dbraw/zinc/39/37/71/241393771.db2.gz KSFFKFMCQAWGJA-OCCSQVGLSA-N 2 0 259.353 1.784 20 30 CDEDRP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1C#N ZINC000386726409 367029908 /nfs/dbraw/zinc/02/99/08/367029908.db2.gz TZVYHIINHMCCMH-IYBDPMFKSA-N 2 0 285.391 1.998 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000630942356 373429621 /nfs/dbraw/zinc/42/96/21/373429621.db2.gz JYSOELKCDJSXHE-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C)C[NH3+])CC1 ZINC000417540492 377922837 /nfs/dbraw/zinc/92/28/37/377922837.db2.gz POXUYHIJNCWLIL-UHFFFAOYSA-N 2 0 268.405 1.063 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)C(C)C ZINC000645416759 378360434 /nfs/dbraw/zinc/36/04/34/378360434.db2.gz XNQJTGVPDHUROK-GJZGRUSLSA-N 2 0 293.455 1.799 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639144158 378791203 /nfs/dbraw/zinc/79/12/03/378791203.db2.gz HFZQQAYURHOKNJ-HOCLYGCPSA-N 2 0 296.455 1.793 20 30 CDEDRP C[NH+]=C(NCc1nccs1)NC1CC[NH+](C(C)C)CC1 ZINC000114091215 390804364 /nfs/dbraw/zinc/80/43/64/390804364.db2.gz DZXQHACYZNIZPB-UHFFFAOYSA-N 2 0 295.456 1.681 20 30 CDEDRP COc1ccc(NC(=[NH2+])NCC2=CC[N@H+](C)CC2)cc1 ZINC000271713499 391301913 /nfs/dbraw/zinc/30/19/13/391301913.db2.gz BQDMQONIFXTEKL-UHFFFAOYSA-N 2 0 274.368 1.684 20 30 CDEDRP C[C@H](C[NH3+])C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423306847 392960550 /nfs/dbraw/zinc/96/05/50/392960550.db2.gz MDELLVCCEYZCDU-CQSZACIVSA-N 2 0 286.423 1.707 20 30 CDEDRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000423192557 397602329 /nfs/dbraw/zinc/60/23/29/397602329.db2.gz VWUWHKJSDBNOFI-ZDUSSCGKSA-N 2 0 290.386 1.643 20 30 CDEDRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(C#N)cs1 ZINC000349321363 154088281 /nfs/dbraw/zinc/08/82/81/154088281.db2.gz XBHNASJSPTYCPY-UHFFFAOYSA-N 2 0 292.452 1.689 20 30 CDEDRP C=CCCC(C)(C)[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000663507826 414308514 /nfs/dbraw/zinc/30/85/14/414308514.db2.gz ZYCZMSGMTVQBEG-CYBMUJFWSA-N 2 0 267.417 1.518 20 30 CDEDRP CC[C@@H](C)NC(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1 ZINC000134476064 260913161 /nfs/dbraw/zinc/91/31/61/260913161.db2.gz MBLDCOHTAZMANP-GFCCVEGCSA-N 2 0 293.415 1.225 20 30 CDEDRP C=CCNC(=O)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000365368965 262362441 /nfs/dbraw/zinc/36/24/41/262362441.db2.gz UIAOVEANNRDRTF-INIZCTEOSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CCOc1ccc(CN(C)CC[NH3+])cc1OC ZINC000415117623 263274741 /nfs/dbraw/zinc/27/47/41/263274741.db2.gz ZUTRAMSKKFCUCL-UHFFFAOYSA-N 2 0 250.342 1.651 20 30 CDEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123267601 268020532 /nfs/dbraw/zinc/02/05/32/268020532.db2.gz JCSSWZFLHJDUIO-CQSZACIVSA-N 2 0 281.444 1.731 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001673380918 1173851338 /nfs/dbraw/zinc/85/13/38/1173851338.db2.gz OTRVSALTVLECBC-CABCVRRESA-N 2 0 279.428 1.177 20 30 CDEDRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185880723 329334384 /nfs/dbraw/zinc/33/43/84/329334384.db2.gz IUGLZGLIBXDYQE-HUUCEWRRSA-N 2 0 264.417 1.296 20 30 CDEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001098219643 1159145655 /nfs/dbraw/zinc/14/56/55/1159145655.db2.gz NTNCWGQVQNPOAG-FPCVCCKLSA-N 2 0 291.439 1.626 20 30 CDEDRP C[C@@H]1CCC[C@@](CNC2=[NH+]CCN2C)([NH+](C)C)C1 ZINC000261588689 329971938 /nfs/dbraw/zinc/97/19/38/329971938.db2.gz VVYIHYKGKFJPKZ-TZMCWYRMSA-N 2 0 252.406 1.388 20 30 CDEDRP C[NH+]=C(NCC1(C)CC1)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000262425497 330009752 /nfs/dbraw/zinc/00/97/52/330009752.db2.gz RNMSWXOGFLOHAY-VXGBXAGGSA-N 2 0 264.417 1.577 20 30 CDEDRP C[NH+]=C(NC[C@H]1CCCO1)NCC1([NH+](C)C)CCCCC1 ZINC000262569675 330021819 /nfs/dbraw/zinc/02/18/19/330021819.db2.gz MSANTYZNRVGURK-CQSZACIVSA-N 2 0 296.459 1.595 20 30 CDEDRP CC[C@](C)(O)CNC(=[NH+]C)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262754584 330029407 /nfs/dbraw/zinc/02/94/07/330029407.db2.gz ASPZZBAFENCSAH-ZBFHGGJFSA-N 2 0 296.459 1.141 20 30 CDEDRP [NH2+]=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC1 ZINC000263117380 330044499 /nfs/dbraw/zinc/04/44/99/330044499.db2.gz LPYSQIZFNFNGEA-HNNXBMFYSA-N 2 0 272.396 1.529 20 30 CDEDRP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](CN3CCOCC3)C2)C1 ZINC000429682900 330059372 /nfs/dbraw/zinc/05/93/72/330059372.db2.gz HNZXYHZEBKKBSO-KFWWJZLASA-N 2 0 263.385 1.333 20 30 CDEDRP CCOC(=O)C1([C@H](C)[NH2+]CC2(CC#N)CC2)CC[NH2+]CC1 ZINC000423096016 330169849 /nfs/dbraw/zinc/16/98/49/330169849.db2.gz NQRFNXINUCYCPJ-ZDUSSCGKSA-N 2 0 293.411 1.591 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000424144888 330290097 /nfs/dbraw/zinc/29/00/97/330290097.db2.gz MLKFKSXUOIWHBE-LSDHHAIUSA-N 2 0 292.427 1.342 20 30 CDEDRP C=CCC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000121062539 330395879 /nfs/dbraw/zinc/39/58/79/330395879.db2.gz PZNDQXFAFSKRMB-GDBMZVCRSA-N 2 0 265.445 1.957 20 30 CDEDRP C#CCN1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000490780365 332115333 /nfs/dbraw/zinc/11/53/33/332115333.db2.gz KONDJMXVIYJNPH-JKSUJKDBSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H]1COC(=O)C1CC[NH+](C2CC2)CC1 ZINC000491147915 332156598 /nfs/dbraw/zinc/15/65/98/332156598.db2.gz SZRPWQSLOCGXEA-MRXNPFEDSA-N 2 0 290.407 1.502 20 30 CDEDRP COCC#CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000679537152 483381021 /nfs/dbraw/zinc/38/10/21/483381021.db2.gz DQOVKVMWFBKXRD-UHFFFAOYSA-N 2 0 294.439 1.461 20 30 CDEDRP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001753639895 1185281788 /nfs/dbraw/zinc/28/17/88/1185281788.db2.gz OBEQRACLXQJUHN-KKUMJFAQSA-N 2 0 279.428 1.082 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000764406458 575904863 /nfs/dbraw/zinc/90/48/63/575904863.db2.gz OQZJIFHFWKQQJI-CYBMUJFWSA-N 2 0 267.417 1.342 20 30 CDEDRP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCCCN2C)C(C)(C)C1 ZINC000974728483 613038100 /nfs/dbraw/zinc/03/81/00/613038100.db2.gz FHGVIEWCJMWSSB-CABCVRRESA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](CCC)C2)CC1 ZINC000970920064 613130984 /nfs/dbraw/zinc/13/09/84/613130984.db2.gz IRYQGULXFSOIDM-AWEZNQCLSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000981458871 613252956 /nfs/dbraw/zinc/25/29/56/613252956.db2.gz IWBQBIBYDQJLER-INIZCTEOSA-N 2 0 293.455 1.971 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC000947496608 613257132 /nfs/dbraw/zinc/25/71/32/613257132.db2.gz CDUDGWGZUDBAGY-GJZGRUSLSA-N 2 0 289.423 1.217 20 30 CDEDRP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000981167665 613310389 /nfs/dbraw/zinc/31/03/89/613310389.db2.gz CTRDTWDFOICZGY-MRXNPFEDSA-N 2 0 291.439 1.439 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000969564072 613347971 /nfs/dbraw/zinc/34/79/71/613347971.db2.gz LMHVFLHTQKWLAU-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000970048914 613535542 /nfs/dbraw/zinc/53/55/42/613535542.db2.gz BTVGHKJYHBKXID-AWEZNQCLSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000972353867 613616857 /nfs/dbraw/zinc/61/68/57/613616857.db2.gz JCBNHLYEKBWEGH-OLZOCXBDSA-N 2 0 253.390 1.045 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000947722819 613742296 /nfs/dbraw/zinc/74/22/96/613742296.db2.gz LXIIAXVKOMLQFR-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968386969 613767022 /nfs/dbraw/zinc/76/70/22/613767022.db2.gz SCDJIEILDCKBRB-HOCLYGCPSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974588128 613827356 /nfs/dbraw/zinc/82/73/56/613827356.db2.gz OEETXASKFXEUCB-CABCVRRESA-N 2 0 291.439 1.341 20 30 CDEDRP C#CCOCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000851794443 617648144 /nfs/dbraw/zinc/64/81/44/617648144.db2.gz IACYDWSXVGSIQG-UHFFFAOYSA-N 2 0 280.412 1.213 20 30 CDEDRP N#Cc1ccc(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000925714131 617823526 /nfs/dbraw/zinc/82/35/26/617823526.db2.gz OKGHZHFRANWGDI-VIQHNZTISA-N 2 0 267.376 1.687 20 30 CDEDRP C#CCCN1CCN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000895884611 619883968 /nfs/dbraw/zinc/88/39/68/619883968.db2.gz LHVAHWCATNOFSF-AWEZNQCLSA-N 2 0 277.412 1.027 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911787782 629512157 /nfs/dbraw/zinc/51/21/57/629512157.db2.gz MEJUGTANAUDBRT-UONOGXRCSA-N 2 0 269.433 1.885 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999279680 693959205 /nfs/dbraw/zinc/95/92/05/693959205.db2.gz PQYFXERAWOGQKM-FHERZECASA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993760939 694059514 /nfs/dbraw/zinc/05/95/14/694059514.db2.gz OIYSXSQCRQPIQZ-GOEBONIOSA-N 2 0 291.439 1.321 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)C[NH+]1CCCC1 ZINC000303865949 694061321 /nfs/dbraw/zinc/06/13/21/694061321.db2.gz BYXMNGNHDMLQDD-GJZGRUSLSA-N 3 0 295.475 1.107 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001000377361 694153335 /nfs/dbraw/zinc/15/33/35/694153335.db2.gz KULOQMVORUATJB-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995917478 688202719 /nfs/dbraw/zinc/20/27/19/688202719.db2.gz VELGFBDTRICRTR-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000849025542 688249397 /nfs/dbraw/zinc/24/93/97/688249397.db2.gz MMLDVFMWYGWHEF-ZNMIVQPWSA-N 2 0 294.443 1.566 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994255185 688359931 /nfs/dbraw/zinc/35/99/31/688359931.db2.gz PSLPBSQJQFYGCW-LSDHHAIUSA-N 2 0 289.423 1.075 20 30 CDEDRP CCN(CC)C(=[NH2+])NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000305022703 688362907 /nfs/dbraw/zinc/36/29/07/688362907.db2.gz OIYOVJJYTOWAML-CYBMUJFWSA-N 2 0 254.422 1.621 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC[C@@H]1CCC[N@H+](C)C1 ZINC000849005219 688437952 /nfs/dbraw/zinc/43/79/52/688437952.db2.gz FGQKZTJWKUEBMN-LBPRGKRZSA-N 2 0 264.373 1.286 20 30 CDEDRP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041789697 688513875 /nfs/dbraw/zinc/51/38/75/688513875.db2.gz SUKPGIYXEOFEKD-MRXNPFEDSA-N 2 0 289.423 1.193 20 30 CDEDRP CC#CCN1CCC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001007643249 688567232 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CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001020571578 694438298 /nfs/dbraw/zinc/43/82/98/694438298.db2.gz PEHJTFILDOGIRT-JHJVBQTASA-N 2 0 288.395 1.643 20 30 CDEDRP CC1(C#N)CCC([NH2+]C[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000823825341 692132300 /nfs/dbraw/zinc/13/23/00/692132300.db2.gz KVIRCCAGQOPHSI-PWUWZPNHSA-N 2 0 277.412 1.912 20 30 CDEDRP CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001024511348 692167801 /nfs/dbraw/zinc/16/78/01/692167801.db2.gz FRUUKFBWILFJNW-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000985327597 692188051 /nfs/dbraw/zinc/18/80/51/692188051.db2.gz JLCZWXHKTNAQJO-AWEZNQCLSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015114185 692205934 /nfs/dbraw/zinc/20/59/34/692205934.db2.gz MWQIBFQTZYFWSP-CQSZACIVSA-N 2 0 284.363 1.715 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]12 ZINC001026285318 692237649 /nfs/dbraw/zinc/23/76/49/692237649.db2.gz ZCEOPRUCIDDIFW-VNQPRFMTSA-N 2 0 291.439 1.483 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001019632408 692319006 /nfs/dbraw/zinc/31/90/06/692319006.db2.gz LKQJEKJGVIRPQW-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001034793941 692342835 /nfs/dbraw/zinc/34/28/35/692342835.db2.gz WPFRCLBQRMIXLY-SHTZXODSSA-N 2 0 279.428 1.675 20 30 CDEDRP C#CC[C@@H](CO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000883124588 692457390 /nfs/dbraw/zinc/45/73/90/692457390.db2.gz KWEFUBPZIDBSLJ-HNNXBMFYSA-N 2 0 264.413 1.757 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001036192165 694534964 /nfs/dbraw/zinc/53/49/64/694534964.db2.gz IXSHMUZWDMDZRY-CABCVRRESA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033318422 692568641 /nfs/dbraw/zinc/56/86/41/692568641.db2.gz JLAWANXQFJZWLL-OAHLLOKOSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015998160 692592812 /nfs/dbraw/zinc/59/28/12/692592812.db2.gz MCZCUAXUVSLKPS-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[C@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000925699097 692673080 /nfs/dbraw/zinc/67/30/80/692673080.db2.gz UMONJJIWYMDVKC-HNSVSWJLSA-N 2 0 282.428 1.402 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033837464 692935039 /nfs/dbraw/zinc/93/50/39/692935039.db2.gz IDWYNLBUMJBJHL-BZUAXINKSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027998080 692969951 /nfs/dbraw/zinc/96/99/51/692969951.db2.gz VICMBJMHLMPIAH-CQSZACIVSA-N 2 0 277.412 1.381 20 30 CDEDRP C[NH+]=C(NCCC[NH+]1CCC(C)CC1)NC1CC1 ZINC000103337580 693093072 /nfs/dbraw/zinc/09/30/72/693093072.db2.gz ADNYHIYFUVVPJE-UHFFFAOYSA-N 2 0 252.406 1.436 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052392561 693148201 /nfs/dbraw/zinc/14/82/01/693148201.db2.gz YZSCMKSDKKHIMC-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC)CC1 ZINC000985472964 693172423 /nfs/dbraw/zinc/17/24/23/693172423.db2.gz CFRLLLLSZXBPRO-HNNXBMFYSA-N 2 0 277.412 1.027 20 30 CDEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000303770121 693175882 /nfs/dbraw/zinc/17/58/82/693175882.db2.gz BPLXBZQZXCISFW-AWEZNQCLSA-N 2 0 282.432 1.144 20 30 CDEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006402546 693230115 /nfs/dbraw/zinc/23/01/15/693230115.db2.gz XNLFMWUQGNVHCS-CQSZACIVSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CCOc1ccccc1C[NH2+]CCOCC[NH+](C)C ZINC000226744474 693284775 /nfs/dbraw/zinc/28/47/75/693284775.db2.gz IAMIXNQLBDNQKD-UHFFFAOYSA-N 2 0 276.380 1.366 20 30 CDEDRP C#CC[N@H+]1CC[C@H](CNC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001028539235 693323913 /nfs/dbraw/zinc/32/39/13/693323913.db2.gz REBCNJPARLPQOR-CQSZACIVSA-N 2 0 296.374 1.328 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049060313 693324780 /nfs/dbraw/zinc/32/47/80/693324780.db2.gz RLRQKXVBWGOTJX-CAOSSQGBSA-N 2 0 291.439 1.150 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995899045 694644679 /nfs/dbraw/zinc/64/46/79/694644679.db2.gz VFMXLDNINYQXAV-CABCVRRESA-N 2 0 293.455 1.729 20 30 CDEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCN3C)CCC[C@@H]12 ZINC000990016932 693380891 /nfs/dbraw/zinc/38/08/91/693380891.db2.gz PMFBBERDPSWRLO-ZMSDIMECSA-N 2 0 289.423 1.217 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001032406383 694723280 /nfs/dbraw/zinc/72/32/80/694723280.db2.gz YIDVCUJMBJZMMJ-HRCADAONSA-N 2 0 289.423 1.189 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025520153 693477365 /nfs/dbraw/zinc/47/73/65/693477365.db2.gz BFXOFDKOURSALQ-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP CCOCCC[N@@H+]1CCC(=NNC2=[NH+][C@@H](C)CN2)[C@@H](C)C1 ZINC000779794186 694726650 /nfs/dbraw/zinc/72/66/50/694726650.db2.gz DIPFITNZKXXUGE-STQMWFEESA-N 2 0 295.431 1.048 20 30 CDEDRP CC[N@H+](CCNC(=[NH2+])NC[C@H]1CCC[NH+]1CC)C(C)C ZINC000303973678 694781371 /nfs/dbraw/zinc/78/13/71/694781371.db2.gz GZNDDVYQHSGIIW-CQSZACIVSA-N 3 0 283.464 1.105 20 30 CDEDRP C=CC[N@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001073453841 694816227 /nfs/dbraw/zinc/81/62/27/694816227.db2.gz BEFOGNFATKRUHH-HUUCEWRRSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]12 ZINC001026400802 694640130 /nfs/dbraw/zinc/64/01/30/694640130.db2.gz PYHAXJAQOSOVPG-RBSFLKMASA-N 2 0 289.423 1.095 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001000199177 694665915 /nfs/dbraw/zinc/66/59/15/694665915.db2.gz NWERCVKORPJAJY-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000818179249 694713127 /nfs/dbraw/zinc/71/31/27/694713127.db2.gz YFOMZUJEKZCBMU-DOTOQJQBSA-N 2 0 289.423 1.028 20 30 CDEDRP CCC(CC)[C@H](CNC(NC1CC1)=[NH+]C)[NH+](C)C ZINC000848984311 694826567 /nfs/dbraw/zinc/82/65/67/694826567.db2.gz KPHZMWDFOZHXNT-ZDUSSCGKSA-N 2 0 254.422 1.680 20 30 CDEDRP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001153952 694836340 /nfs/dbraw/zinc/83/63/40/694836340.db2.gz YHRFKZVBGFBZHR-HOCLYGCPSA-N 2 0 291.439 1.509 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001049891724 694847216 /nfs/dbraw/zinc/84/72/16/694847216.db2.gz WZZIOACNCJXTRE-SOUVJXGZSA-N 2 0 277.412 1.189 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001022278375 695046675 /nfs/dbraw/zinc/04/66/75/695046675.db2.gz MKWLBJHKJVWXTK-QXSJWSMHSA-N 2 0 291.439 1.816 20 30 CDEDRP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001054198750 695078886 /nfs/dbraw/zinc/07/88/86/695078886.db2.gz FYJDZENIKPKGDI-RDJZCZTQSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000805336035 695169201 /nfs/dbraw/zinc/16/92/01/695169201.db2.gz BWBCLPWUMQLCGN-ZIAGYGMSSA-N 2 0 265.401 1.189 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129421566 1162472072 /nfs/dbraw/zinc/47/20/72/1162472072.db2.gz AMMLZCBJJSODTK-OAHLLOKOSA-N 2 0 281.444 1.921 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430735 1162474026 /nfs/dbraw/zinc/47/40/26/1162474026.db2.gz WUTNSTRZQWZYNG-HNNXBMFYSA-N 2 0 277.412 1.123 20 30 CDEDRP C#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132311766 1163238766 /nfs/dbraw/zinc/23/87/66/1163238766.db2.gz XTYMMPRSNIMCRT-HUUCEWRRSA-N 2 0 293.455 1.567 20 30 CDEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001133274165 1163622605 /nfs/dbraw/zinc/62/26/05/1163622605.db2.gz CJJTZSZSZSVLRN-GJZGRUSLSA-N 2 0 279.428 1.036 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133896119 1163953186 /nfs/dbraw/zinc/95/31/86/1163953186.db2.gz CQVCMDAHULOKNZ-UHFFFAOYSA-N 2 0 267.417 1.390 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135706353 1164169740 /nfs/dbraw/zinc/16/97/40/1164169740.db2.gz SUCPSIMQCBAEGT-UONOGXRCSA-N 2 0 267.417 1.224 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001091066124 1164254552 /nfs/dbraw/zinc/25/45/52/1164254552.db2.gz NMQUQBHCYMWWNN-HWOWSKLDSA-N 2 0 291.439 1.082 20 30 CDEDRP C=CC[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000049854560 1166597249 /nfs/dbraw/zinc/59/72/49/1166597249.db2.gz CAFAGILCBQIYKE-UHFFFAOYSA-N 2 0 259.397 1.580 20 30 CDEDRP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001570534499 1170182233 /nfs/dbraw/zinc/18/22/33/1170182233.db2.gz KRNGKRCUPIOWLC-UONOGXRCSA-N 2 0 267.417 1.435 20 30 CDEDRP C=CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001673946452 1173900487 /nfs/dbraw/zinc/90/04/87/1173900487.db2.gz NJWFNEZYGQQNTJ-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001700695141 1177080215 /nfs/dbraw/zinc/08/02/15/1177080215.db2.gz YIYKZUVVCQBEHK-OAHLLOKOSA-N 2 0 277.412 1.027 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001734601305 1183841564 /nfs/dbraw/zinc/84/15/64/1183841564.db2.gz HDALRYXJRVNWSO-YMAMQOFZSA-N 2 0 281.444 1.872 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001753459074 1184545329 /nfs/dbraw/zinc/54/53/29/1184545329.db2.gz LAGGVTGOCPPVRT-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001753480033 1185228776 /nfs/dbraw/zinc/22/87/76/1185228776.db2.gz UWJDKSSTLFRAOI-ZIAGYGMSSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CC[NH2+][C@@H](CC)CNC(=O)CC[NH+]1CCCCC1 ZINC001753496682 1185235982 /nfs/dbraw/zinc/23/59/82/1185235982.db2.gz HCPKXLGNVLXYFZ-AWEZNQCLSA-N 2 0 267.417 1.533 20 30 CDEDRP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001753498211 1185237193 /nfs/dbraw/zinc/23/71/93/1185237193.db2.gz VTWNLHUIFRJUGM-GJZGRUSLSA-N 2 0 279.428 1.369 20 30 CDEDRP C=C(C)C[NH2+]C[C@](C)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001753528782 1185249108 /nfs/dbraw/zinc/24/91/08/1185249108.db2.gz TUGAZMOXAGUBBP-INIZCTEOSA-N 2 0 291.439 1.533 20 30 CDEDRP C=CC[NH2+]CC[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001753559304 1185253587 /nfs/dbraw/zinc/25/35/87/1185253587.db2.gz NJOWFACFFAQLHT-HZPDHXFCSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001753695460 1185304384 /nfs/dbraw/zinc/30/43/84/1185304384.db2.gz QKSYJOQELVUMIK-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001753734668 1185323062 /nfs/dbraw/zinc/32/30/62/1185323062.db2.gz GQKVSGXUPYLOOA-HZPDHXFCSA-N 2 0 291.439 1.082 20 30 CDEDRP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001754332227 1185585118 /nfs/dbraw/zinc/58/51/18/1185585118.db2.gz ATLHIOQRLUJJAR-UONOGXRCSA-N 2 0 267.417 1.341 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001754348512 1185591187 /nfs/dbraw/zinc/59/11/87/1185591187.db2.gz JWASUGNHZGQVNL-GJZGRUSLSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)C[N@@H+](C)CCC)CCC1 ZINC001754991521 1185781193 /nfs/dbraw/zinc/78/11/93/1185781193.db2.gz QAARWZCKSMTPMA-UHFFFAOYSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CC[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001755316981 1185912138 /nfs/dbraw/zinc/91/21/38/1185912138.db2.gz WNLBGEXPYIDZRE-CYBMUJFWSA-N 2 0 269.433 1.587 20 30 CDEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001755386850 1185937207 /nfs/dbraw/zinc/93/72/07/1185937207.db2.gz WFZWVUDEDSBJRE-LSDHHAIUSA-N 2 0 293.455 1.731 20 30 CDEDRP CCCCCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133863702 1163937055 /nfs/dbraw/zinc/93/70/55/1163937055.db2.gz OGLTUGKQSLLJJU-HUUCEWRRSA-N 2 0 283.460 1.860 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133896088 1163953777 /nfs/dbraw/zinc/95/37/77/1163953777.db2.gz CAXGDGAGOYMKQD-UHFFFAOYSA-N 2 0 253.390 1.000 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896444 1163955451 /nfs/dbraw/zinc/95/54/51/1163955451.db2.gz JKBMFEAUMJCYGP-CQSZACIVSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CCC[N@H+]1CC[C@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046450652 723084421 /nfs/dbraw/zinc/08/44/21/723084421.db2.gz VIPPOJRVFFBZPV-KRWDZBQOSA-N 2 0 296.374 1.552 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014409144 723171615 /nfs/dbraw/zinc/17/16/15/723171615.db2.gz QMPQLWPRKLODMD-HUUCEWRRSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CCN1CCC[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000886661096 723199787 /nfs/dbraw/zinc/19/97/87/723199787.db2.gz MGMRHURVSLRPMO-HOCLYGCPSA-N 2 0 263.429 1.404 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014705370 723231355 /nfs/dbraw/zinc/23/13/55/723231355.db2.gz PAORXBWPZXQGRY-HZPDHXFCSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995981793 723382339 /nfs/dbraw/zinc/38/23/39/723382339.db2.gz NWGMQHJDEIZQJX-KBPBESRZSA-N 2 0 279.428 1.483 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(SC)CC1 ZINC000193301208 723474796 /nfs/dbraw/zinc/47/47/96/723474796.db2.gz KECPDXRRLAJXJI-NSHDSACASA-N 2 0 270.446 1.271 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1Cc2ccccc21 ZINC000303902117 723350390 /nfs/dbraw/zinc/35/03/90/723350390.db2.gz XQGDNLMOEAMKGL-GJZGRUSLSA-N 2 0 286.423 1.715 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000303902102 723369850 /nfs/dbraw/zinc/36/98/50/723369850.db2.gz SYQQIYZGEHGQPR-KKUMJFAQSA-N 2 0 298.475 1.684 20 30 CDEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)C1 ZINC000303890867 723482041 /nfs/dbraw/zinc/48/20/41/723482041.db2.gz QGCLHESWZNYRFX-ZIAGYGMSSA-N 2 0 266.433 1.765 20 30 CDEDRP CCCCCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000303885644 723508102 /nfs/dbraw/zinc/50/81/02/723508102.db2.gz JWLIGDKNRSEZND-ZDUSSCGKSA-N 2 0 266.433 1.955 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001020237810 723546720 /nfs/dbraw/zinc/54/67/20/723546720.db2.gz DLSXAOJYIVXWQH-BZUAXINKSA-N 2 0 293.455 1.777 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001032411408 723603789 /nfs/dbraw/zinc/60/37/89/723603789.db2.gz NNHFABQPFXQZNJ-FXUDXRNXSA-N 2 0 291.439 1.578 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039030381 723607827 /nfs/dbraw/zinc/60/78/27/723607827.db2.gz ZGWXKZQQDCISMA-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001032802516 723644491 /nfs/dbraw/zinc/64/44/91/723644491.db2.gz BVYCBKKMZHVDBB-JYJNAYRXSA-N 2 0 289.423 1.169 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000988957986 723678094 /nfs/dbraw/zinc/67/80/94/723678094.db2.gz HIMXDVWCYMTRQW-OLZOCXBDSA-N 2 0 265.401 1.236 20 30 CDEDRP C[NH2+]CCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001573896252 1167624853 /nfs/dbraw/zinc/62/48/53/1167624853.db2.gz ZOANGCUVGOJCDZ-UHFFFAOYSA-N 2 0 288.395 1.058 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC001578413274 1167686599 /nfs/dbraw/zinc/68/65/99/1167686599.db2.gz JDCAONRPCBRPAK-MRXNPFEDSA-N 2 0 293.455 1.746 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127254218 913151300 /nfs/dbraw/zinc/15/13/00/913151300.db2.gz DDADTYPLPJDVEL-CABCVRRESA-N 2 0 279.428 1.533 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001167224880 894904517 /nfs/dbraw/zinc/90/45/17/894904517.db2.gz LXEVDYJQLSHOJT-HNNXBMFYSA-N 2 0 291.439 1.370 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001021896328 895915524 /nfs/dbraw/zinc/91/55/24/895915524.db2.gz XZODAZQQIRJOBJ-TUAOUCFPSA-N 2 0 271.792 1.070 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167655133 897209061 /nfs/dbraw/zinc/20/90/61/897209061.db2.gz GBLGIZMFQQEORT-UHFFFAOYSA-N 2 0 267.417 1.390 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203351631 914169924 /nfs/dbraw/zinc/16/99/24/914169924.db2.gz YFBRNONUSIYTRC-QWHCGFSZSA-N 2 0 265.401 1.141 20 30 CDEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+](C)C)C2 ZINC001112518666 897968253 /nfs/dbraw/zinc/96/82/53/897968253.db2.gz WCYWYDGFHHKSMK-RDJZCZTQSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176752967 914257313 /nfs/dbraw/zinc/25/73/13/914257313.db2.gz BSLVYQXZRRFYDH-AWEZNQCLSA-N 2 0 269.433 1.777 20 30 CDEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001104691780 898889799 /nfs/dbraw/zinc/88/97/99/898889799.db2.gz VTXLQVFQDBYQDS-OAGGEKHMSA-N 2 0 295.471 1.977 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025525590 898967545 /nfs/dbraw/zinc/96/75/45/898967545.db2.gz QBWFNHQMGSFPNY-GOEBONIOSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001104873898 899607592 /nfs/dbraw/zinc/60/75/92/899607592.db2.gz JVKGHARNIMBQPW-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001026503331 899954195 /nfs/dbraw/zinc/95/41/95/899954195.db2.gz SMRNGQCRZOHRCJ-GPANFISMSA-N 2 0 291.439 1.511 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027993608 901124704 /nfs/dbraw/zinc/12/47/04/901124704.db2.gz WVCRHDOTJMJNFA-HNNXBMFYSA-N 2 0 291.439 1.772 20 30 CDEDRP C#CC[N@H+]1CC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029005130 904602798 /nfs/dbraw/zinc/60/27/98/904602798.db2.gz WUOWAZUVVGJMOV-OAHLLOKOSA-N 2 0 299.418 1.433 20 30 CDEDRP C=CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001270867444 905236378 /nfs/dbraw/zinc/23/63/78/905236378.db2.gz UBDVNURRKYYNKK-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC ZINC001087799228 905857383 /nfs/dbraw/zinc/85/73/83/905857383.db2.gz JGJJPDLFZSEGJE-LSDHHAIUSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)C(=O)NCCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168297924 908924550 /nfs/dbraw/zinc/92/45/50/908924550.db2.gz OTTACGCMAHWIAR-UHFFFAOYSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCC[N@H+]1CCCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000989728121 908988154 /nfs/dbraw/zinc/98/81/54/908988154.db2.gz BNUFIAKDBVLFIN-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C[NH+](C)C1CCC([NH+]2CCN(CCC#N)CC2)CC1 ZINC001168324045 909041250 /nfs/dbraw/zinc/04/12/50/909041250.db2.gz HKHCVXIJCXXCDJ-UHFFFAOYSA-N 2 0 264.417 1.390 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189478971 921497531 /nfs/dbraw/zinc/49/75/31/921497531.db2.gz VJQYTCDIHIUZHA-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161795305 921621784 /nfs/dbraw/zinc/62/17/84/921621784.db2.gz BFTVANNKQCGMQO-UHFFFAOYSA-N 2 0 265.401 1.287 20 30 CDEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCSCC[NH3+] ZINC001172300562 911543044 /nfs/dbraw/zinc/54/30/44/911543044.db2.gz WVFZETDZXBKEDG-GFCCVEGCSA-N 2 0 263.410 1.771 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001178045059 915118524 /nfs/dbraw/zinc/11/85/24/915118524.db2.gz BKMVPBQHHLYJTG-HNNXBMFYSA-N 2 0 279.428 1.370 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001179393539 915833047 /nfs/dbraw/zinc/83/30/47/915833047.db2.gz YTMMHXCGCRIALR-UHFFFAOYSA-N 2 0 279.428 1.228 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001521686282 915841212 /nfs/dbraw/zinc/84/12/12/915841212.db2.gz LCJRSUCTXDZZEY-OAHLLOKOSA-N 2 0 279.428 1.661 20 30 CDEDRP N#Cc1ccc(-c2noc(C[NH2+]CC3CC[NH2+]CC3)n2)nc1 ZINC001212320629 915874789 /nfs/dbraw/zinc/87/47/89/915874789.db2.gz SWYITCFQSDKOGX-UHFFFAOYSA-N 2 0 298.350 1.092 20 30 CDEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001179861406 916046798 /nfs/dbraw/zinc/04/67/98/916046798.db2.gz UWWVNNBYNXRABC-GJZGRUSLSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179936143 916078090 /nfs/dbraw/zinc/07/80/90/916078090.db2.gz MPWFMYNPETUNNV-GJZGRUSLSA-N 2 0 297.443 1.110 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)CCC ZINC001180124282 916166493 /nfs/dbraw/zinc/16/64/93/916166493.db2.gz SRUMWTSCJSLALD-UHFFFAOYSA-N 2 0 281.444 1.618 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032026233 917603974 /nfs/dbraw/zinc/60/39/74/917603974.db2.gz BCMBOWBKOCRTMO-MRXNPFEDSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981049 917617164 /nfs/dbraw/zinc/61/71/64/917617164.db2.gz FLAXKRHMKNDEPL-RBSFLKMASA-N 2 0 279.428 1.198 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032128793 917837898 /nfs/dbraw/zinc/83/78/98/917837898.db2.gz KIESBASXKXAQME-JKSUJKDBSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001182486881 917934761 /nfs/dbraw/zinc/93/47/61/917934761.db2.gz WUSOWZYRSNMPHU-UKRRQHHQSA-N 2 0 267.417 1.198 20 30 CDEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001182486933 917934988 /nfs/dbraw/zinc/93/49/88/917934988.db2.gz YKWMSHHOHGDKOA-GDBMZVCRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001054735296 936469516 /nfs/dbraw/zinc/46/95/16/936469516.db2.gz CFKCBUHGSZKRSL-JSGCOSHPSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995804206 918176258 /nfs/dbraw/zinc/17/62/58/918176258.db2.gz RDKGBHIROFSOTR-GJZGRUSLSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001183040305 918266579 /nfs/dbraw/zinc/26/65/79/918266579.db2.gz OJCIDQGQJTYDTJ-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001001594052 936553410 /nfs/dbraw/zinc/55/34/10/936553410.db2.gz DRVDKONMLWUTDN-UHFFFAOYSA-N 2 0 296.374 1.409 20 30 CDEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000997287901 919103361 /nfs/dbraw/zinc/10/33/61/919103361.db2.gz SKOFZWXPFCMIEV-CQSZACIVSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001185680646 919723807 /nfs/dbraw/zinc/72/38/07/919723807.db2.gz GDXNQDUMEAAUTD-HOTGVXAUSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000999513424 919761967 /nfs/dbraw/zinc/76/19/67/919761967.db2.gz SOMOUGGFAALXCE-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCN1CCO[C@@](C)(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001108035507 920320125 /nfs/dbraw/zinc/32/01/25/920320125.db2.gz HCQRQWIRQCCNHJ-INIZCTEOSA-N 2 0 297.443 1.110 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187231337 920415040 /nfs/dbraw/zinc/41/50/40/920415040.db2.gz KEIJALBTZFCPKB-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001033127561 921886907 /nfs/dbraw/zinc/88/69/07/921886907.db2.gz VUYBHTHSCCJJNT-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001190674741 922132542 /nfs/dbraw/zinc/13/25/42/922132542.db2.gz CXCYMAMJMJRFTR-HNNXBMFYSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203729481 922260439 /nfs/dbraw/zinc/26/04/39/922260439.db2.gz GSOUBTNQEALAEX-HUUCEWRRSA-N 2 0 289.423 1.123 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001098214765 936746823 /nfs/dbraw/zinc/74/68/23/936746823.db2.gz WOPVSYIKZZBEFC-YJNKXOJESA-N 2 0 277.412 1.236 20 30 CDEDRP C#CCC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034527386 922657469 /nfs/dbraw/zinc/65/74/69/922657469.db2.gz DGBGRJVBJRKFKF-OAHLLOKOSA-N 2 0 277.412 1.076 20 30 CDEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001005593732 922734299 /nfs/dbraw/zinc/73/42/99/922734299.db2.gz UMFWYDWEDWRSMK-INIZCTEOSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CCC[C@@H]1C)CC2 ZINC001035796467 923047259 /nfs/dbraw/zinc/04/72/59/923047259.db2.gz DRLDBWQQVRGGRV-HNNXBMFYSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203104026 936830214 /nfs/dbraw/zinc/83/02/14/936830214.db2.gz PKUXXTQKTADCKQ-KGLIPLIRSA-N 2 0 291.439 1.367 20 30 CDEDRP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001080997762 924676380 /nfs/dbraw/zinc/67/63/80/924676380.db2.gz KHESPOCPKKZABK-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100986284 936950851 /nfs/dbraw/zinc/95/08/51/936950851.db2.gz PTTVKQRSVBOGRH-FHERZECASA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366784 937054511 /nfs/dbraw/zinc/05/45/11/937054511.db2.gz QMGGDVPDPILODS-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514551 937061639 /nfs/dbraw/zinc/06/16/39/937061639.db2.gz AUTCOIPBOKWNFU-BZUAXINKSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514169 937062066 /nfs/dbraw/zinc/06/20/66/937062066.db2.gz PATQGNHKLBBAML-RBSFLKMASA-N 2 0 279.428 1.198 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001201456857 926298748 /nfs/dbraw/zinc/29/87/48/926298748.db2.gz QGJRBIINIIPHNE-UHFFFAOYSA-N 2 0 296.374 1.552 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CCC)CC1 ZINC001085985058 926571546 /nfs/dbraw/zinc/57/15/46/926571546.db2.gz RLTONRXGBHLTCU-MRXNPFEDSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001086122235 926727203 /nfs/dbraw/zinc/72/72/03/926727203.db2.gz BXBOJWSPNHAPIL-HZSPNIEDSA-N 2 0 265.401 1.141 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001086382068 927051093 /nfs/dbraw/zinc/05/10/93/927051093.db2.gz RXUUHVODYMMSBQ-BZUAXINKSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103654954 937150332 /nfs/dbraw/zinc/15/03/32/937150332.db2.gz JICAHVDXXFAKNJ-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001110684472 928204428 /nfs/dbraw/zinc/20/44/28/928204428.db2.gz LSHAHMZXAHWCBS-JJXSEGSLSA-N 2 0 291.439 1.768 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001202495643 928578844 /nfs/dbraw/zinc/57/88/44/928578844.db2.gz HLHFDNPKLSRNND-AWEZNQCLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110005902 929101098 /nfs/dbraw/zinc/10/10/98/929101098.db2.gz JXRFWGQXJAJOFL-ILXRZTDVSA-N 2 0 279.428 1.626 20 30 CDEDRP N#Cc1c(NC(=N)SCC[NH3+])ncc2c1CCC[NH2+]C2 ZINC001157129309 929208748 /nfs/dbraw/zinc/20/87/48/929208748.db2.gz XHNFVHANRONENR-UHFFFAOYSA-N 2 0 290.396 1.028 20 30 CDEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152480059 937365625 /nfs/dbraw/zinc/36/56/25/937365625.db2.gz LWISOFZFMDDSIM-OAHLLOKOSA-N 2 0 297.443 1.015 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134729515 929866194 /nfs/dbraw/zinc/86/61/94/929866194.db2.gz IZFNGYNRDHEJLD-GJZGRUSLSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134810442 929913808 /nfs/dbraw/zinc/91/38/08/929913808.db2.gz YVBZQBLTCKHZHH-QWHCGFSZSA-N 2 0 298.390 1.762 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135378232 930176896 /nfs/dbraw/zinc/17/68/96/930176896.db2.gz ISQDOHPWRIIALL-KGLIPLIRSA-N 2 0 281.444 1.777 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135375834 930177251 /nfs/dbraw/zinc/17/72/51/930177251.db2.gz OKIRUFIMZUBYAU-UONOGXRCSA-N 2 0 279.428 1.224 20 30 CDEDRP N#Cc1cnc2nc(Cl)ccc2c1N[C@H]([NH3+])CCC[NH3+] ZINC001170896002 930688794 /nfs/dbraw/zinc/68/87/94/930688794.db2.gz BNIOQTIUIOMSIR-NSHDSACASA-N 2 0 290.758 1.590 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153312404 937438468 /nfs/dbraw/zinc/43/84/68/937438468.db2.gz IIKQCLPATJDSSX-HZPDHXFCSA-N 2 0 293.455 1.709 20 30 CDEDRP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001153727528 937464273 /nfs/dbraw/zinc/46/42/73/937464273.db2.gz CFOIZJCUVWDIDN-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP N#CC1(c2ccccc2)CCC([NH2+]CCNCC[NH3+])CC1 ZINC001246406834 931490704 /nfs/dbraw/zinc/49/07/04/931490704.db2.gz VFMMJOBBBNLCKL-UHFFFAOYSA-N 2 0 286.423 1.528 20 30 CDEDRP C=CCCC[N@H+]1CCC[C@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001274964250 931617833 /nfs/dbraw/zinc/61/78/33/931617833.db2.gz FRJHNHTZYGGOKU-QGZVFWFLSA-N 2 0 295.471 1.681 20 30 CDEDRP C=CCn1cc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cn1 ZINC001275381220 931760577 /nfs/dbraw/zinc/76/05/77/931760577.db2.gz MRXPMKGQMYKMQM-IYBDPMFKSA-N 2 0 274.412 1.843 20 30 CDEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@]1(CN)CN2CCC1CC2 ZINC001171191945 931847276 /nfs/dbraw/zinc/84/72/76/931847276.db2.gz IULWHZBJCOOEJL-KSSFIOAISA-N 2 0 298.434 1.502 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001091144487 931853209 /nfs/dbraw/zinc/85/32/09/931853209.db2.gz KVFRDEZCDRTWBG-UHFFFAOYSA-N 2 0 284.363 1.618 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146533958 932263021 /nfs/dbraw/zinc/26/30/21/932263021.db2.gz IBQIATYYEQSKLQ-HOTGVXAUSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001044796345 935869950 /nfs/dbraw/zinc/86/99/50/935869950.db2.gz JSEPUOGYZFMSQY-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046486480 935955268 /nfs/dbraw/zinc/95/52/68/935955268.db2.gz JNDMPNZJTHRZGJ-MRXNPFEDSA-N 2 0 282.347 1.162 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092402 938453019 /nfs/dbraw/zinc/45/30/19/938453019.db2.gz WQFNSMIWTDXYNF-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158040070 938578170 /nfs/dbraw/zinc/57/81/70/938578170.db2.gz VMSFBUCDDBKGID-HZPDHXFCSA-N 2 0 293.455 1.923 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001160883680 938837173 /nfs/dbraw/zinc/83/71/73/938837173.db2.gz SUOMMHZCHOFKTB-CYBMUJFWSA-N 2 0 255.406 1.389 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001160883776 938837187 /nfs/dbraw/zinc/83/71/87/938837187.db2.gz UYIWHFDGLHFGEX-ZIAGYGMSSA-N 2 0 269.433 1.777 20 30 CDEDRP C#CC[NH+]1CC=C(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001161220074 938879967 /nfs/dbraw/zinc/87/99/67/938879967.db2.gz SJAMKFWRHSWGJD-OAHLLOKOSA-N 2 0 289.423 1.100 20 30 CDEDRP C=CC(NCc1ccc2c(c1)CC[NH2+]C2)=[NH+]COC ZINC001162803511 939146343 /nfs/dbraw/zinc/14/63/43/939146343.db2.gz XTXVTASUIBPDGC-UHFFFAOYSA-N 2 0 259.353 1.610 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc(Cl)c(C#N)n1 ZINC001163122648 939204647 /nfs/dbraw/zinc/20/46/47/939204647.db2.gz OQWQJDYXLZTUFE-UHFFFAOYSA-N 2 0 294.790 1.885 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001166425096 939608536 /nfs/dbraw/zinc/60/85/36/939608536.db2.gz PBDMHURNFHYDHG-CYBMUJFWSA-N 2 0 289.851 1.955 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001166439680 939608968 /nfs/dbraw/zinc/60/89/68/939608968.db2.gz KTMFMHPJAOVCBW-AWEZNQCLSA-N 2 0 267.417 1.226 20 30 CDEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203519999 939690655 /nfs/dbraw/zinc/69/06/55/939690655.db2.gz CJEUBHFYADEVNX-GJZGRUSLSA-N 2 0 291.439 1.369 20 30 CDEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)nc2)CCC[C@H]1C[NH3+] ZINC001206003504 939966440 /nfs/dbraw/zinc/96/64/40/939966440.db2.gz ITELOXAVFQBUEF-OCCSQVGLSA-N 2 0 258.369 1.760 20 30 CDEDRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(C#N)cn2)CC1 ZINC001206318453 940017393 /nfs/dbraw/zinc/01/73/93/940017393.db2.gz PQSULTRWEJXNGT-OAHLLOKOSA-N 2 0 258.369 1.904 20 30 CDEDRP C[C@]1(C[NH3+])CCCCN(Cc2cc(C#N)ccn2)C1 ZINC001206563523 940061450 /nfs/dbraw/zinc/06/14/50/940061450.db2.gz FRJIIIAFRYFNLL-OAHLLOKOSA-N 2 0 258.369 1.904 20 30 CDEDRP COC(=O)C1(C#N)CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001207402074 940190005 /nfs/dbraw/zinc/19/00/05/940190005.db2.gz VZKQBVNNJRCDDH-UHFFFAOYSA-N 2 0 279.384 1.107 20 30 CDEDRP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207697775 940232137 /nfs/dbraw/zinc/23/21/37/940232137.db2.gz KCAUDFBONCXDEU-RBSFLKMASA-N 2 0 281.444 1.729 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001208334373 940320686 /nfs/dbraw/zinc/32/06/86/940320686.db2.gz JAUYZZMHEUHCMG-HOTGVXAUSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001208362510 940324741 /nfs/dbraw/zinc/32/47/41/940324741.db2.gz OZYOLVPCCMEISM-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001208575104 940343192 /nfs/dbraw/zinc/34/31/92/940343192.db2.gz IMTNFQNYNZIZRZ-OAGGEKHMSA-N 2 0 293.455 1.567 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001208591230 940344424 /nfs/dbraw/zinc/34/44/24/940344424.db2.gz SEUXXUWVPPBYQS-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001209250050 940452775 /nfs/dbraw/zinc/45/27/75/940452775.db2.gz AFUGOEQFTLSRBW-HRCADAONSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210812039 940714777 /nfs/dbraw/zinc/71/47/77/940714777.db2.gz TTZZJWYCCNVZFH-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccc(F)c(C#N)c1F ZINC001218914562 941288177 /nfs/dbraw/zinc/28/81/77/941288177.db2.gz ZBGIUEMKEBWOQI-LBPRGKRZSA-N 2 0 296.321 1.492 20 30 CDEDRP CC(=O)/C=C(/C)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001219911379 941395844 /nfs/dbraw/zinc/39/58/44/941395844.db2.gz JALHYFZBIRMJNF-FUWURINLSA-N 2 0 269.389 1.091 20 30 CDEDRP C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])c1cccc(C#N)c1 ZINC001220046789 941407675 /nfs/dbraw/zinc/40/76/75/941407675.db2.gz DMMQZYDCVMUJBP-FZMZJTMJSA-N 2 0 274.368 1.192 20 30 CDEDRP C=CC[NH2+]CCN1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001222553562 941613684 /nfs/dbraw/zinc/61/36/84/941613684.db2.gz XGDNSEGCSHFLRR-HOTGVXAUSA-N 2 0 257.381 1.333 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001223838861 941703419 /nfs/dbraw/zinc/70/34/19/941703419.db2.gz MOCYRXPAHDLCQT-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH2+]CCN(C)CC[N@H+](C)Cc1ccccc1 ZINC001236307726 944461659 /nfs/dbraw/zinc/46/16/59/944461659.db2.gz NAYFSKJJHDQFJR-UHFFFAOYSA-N 2 0 261.413 1.826 20 30 CDEDRP N#CC1(c2ccccc2C2=CC[NH2+]C2)CC[NH2+]CC1 ZINC001243112157 947022510 /nfs/dbraw/zinc/02/25/10/947022510.db2.gz UZCGDDDZZNNCLY-UHFFFAOYSA-N 2 0 253.349 1.818 20 30 CDEDRP N#C[C@@H]1CC[C@@H](NC(=[NH2+])SCCSC(N)=[NH2+])C1 ZINC001254644522 947568317 /nfs/dbraw/zinc/56/83/17/947568317.db2.gz STSLOTFFNVJLAH-HTQZYQBOSA-N 2 0 271.415 1.563 20 30 CDEDRP N#C[C@@H]1CC[C@H](N2CC[NH+](CCCC[NH3+])CC2)C1 ZINC001254657168 947574240 /nfs/dbraw/zinc/57/42/40/947574240.db2.gz OBSDBMOYNRNHPW-KGLIPLIRSA-N 2 0 250.390 1.035 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)[C@H]1CC[C@H](C#N)C1 ZINC001254667203 947585268 /nfs/dbraw/zinc/58/52/68/947585268.db2.gz BHJCIAJREZVHDE-KBPBESRZSA-N 2 0 252.406 1.104 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245983310 947877789 /nfs/dbraw/zinc/87/77/89/947877789.db2.gz VDMLEOGDWDMJRQ-UONOGXRCSA-N 2 0 268.401 1.062 20 30 CDEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1CC[NH2+]C(C)(C)C1 ZINC001246303540 948095029 /nfs/dbraw/zinc/09/50/29/948095029.db2.gz IQXBHMAWZAVGDW-KBPBESRZSA-N 2 0 297.443 1.333 20 30 CDEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246306632 948095513 /nfs/dbraw/zinc/09/55/13/948095513.db2.gz XZAMSAZIBCRIKP-ZWNOBZJWSA-N 2 0 275.352 1.319 20 30 CDEDRP C=C[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246488114 948200581 /nfs/dbraw/zinc/20/05/81/948200581.db2.gz HWBASMZVVVDHKJ-LSDHHAIUSA-N 2 0 257.381 1.597 20 30 CDEDRP N#Cc1ccc(C2CCC([N@@H+]3CC[C@@H]([NH3+])[C@H](O)C3)CC2)cc1 ZINC001246559309 948269666 /nfs/dbraw/zinc/26/96/66/948269666.db2.gz OGQCAMNVBGGZPM-OPQOLIRYSA-N 2 0 299.418 1.978 20 30 CDEDRP C[C@@H](CCCC#N)[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246617633 948347814 /nfs/dbraw/zinc/34/78/14/948347814.db2.gz HZTVOUVHZPGONM-IHRRRGAJSA-N 2 0 250.390 1.095 20 30 CDEDRP C=CCOCc1nn([C@H]2CC[C@@H](C)[NH2+]C2)c2c1C[NH2+]C2 ZINC001246705148 948410907 /nfs/dbraw/zinc/41/09/07/948410907.db2.gz XEIMEPFVFMMXTM-NEPJUHHUSA-N 2 0 276.384 1.502 20 30 CDEDRP C#CCOC[C@@H](O)C[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001251896398 950931671 /nfs/dbraw/zinc/93/16/71/950931671.db2.gz IFWQXIOKOSXKIV-GPANFISMSA-N 2 0 282.428 1.240 20 30 CDEDRP C=C[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001253576799 951962577 /nfs/dbraw/zinc/96/25/77/951962577.db2.gz HUMAHFQQKOTQJU-FGTMMUONSA-N 2 0 286.419 1.906 20 30 CDEDRP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001330359234 956394902 /nfs/dbraw/zinc/39/49/02/956394902.db2.gz HEUQBJJPYHEZTM-JONQDZQNSA-N 2 0 293.455 1.587 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317161666 957312777 /nfs/dbraw/zinc/31/27/77/957312777.db2.gz JCTOSYMLCYJODS-CABCVRRESA-N 2 0 281.444 1.587 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001425889290 957635407 /nfs/dbraw/zinc/63/54/07/957635407.db2.gz RJAIWXRTYJNMOC-OLZOCXBDSA-N 2 0 287.835 1.660 20 30 CDEDRP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CC#CC[NH+](C)C ZINC001335381728 959756817 /nfs/dbraw/zinc/75/68/17/959756817.db2.gz MKZPJKAXSKFMCB-GOEBONIOSA-N 2 0 260.381 1.306 20 30 CDEDRP C[NH+](C)CC#CC[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC001335968863 960127650 /nfs/dbraw/zinc/12/76/50/960127650.db2.gz LTIJFHABSNIINI-UHFFFAOYSA-N 2 0 277.343 1.309 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(CCC)CC[NH+](C)C ZINC001340523669 962984382 /nfs/dbraw/zinc/98/43/82/962984382.db2.gz GMWDIYRNEKXXSH-CYBMUJFWSA-N 2 0 255.406 1.470 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC001341641707 963493639 /nfs/dbraw/zinc/49/36/39/963493639.db2.gz CLRHCSXLGTWNPG-ZDUSSCGKSA-N 2 0 274.368 1.349 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001341659753 963500450 /nfs/dbraw/zinc/50/04/50/963500450.db2.gz SGKYYYXFFJTWLT-GJZGRUSLSA-N 2 0 279.428 1.757 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N(CC)CCC[NH+](C)C ZINC001341856513 963561774 /nfs/dbraw/zinc/56/17/74/963561774.db2.gz CQSISSLRHFACLG-ZDUSSCGKSA-N 2 0 255.406 1.470 20 30 CDEDRP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001446989959 966675214 /nfs/dbraw/zinc/67/52/14/966675214.db2.gz QBYREZDNOXJPDT-OKILXGFUSA-N 2 0 299.846 1.471 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001100340386 968059127 /nfs/dbraw/zinc/05/91/27/968059127.db2.gz IGQDFDBYHDPHPM-BCLQGDPASA-N 2 0 291.439 1.389 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001100344840 968073299 /nfs/dbraw/zinc/07/32/99/968073299.db2.gz HFFKQUPEQFFPBW-SSHXOBKSSA-N 2 0 293.455 1.777 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001100405912 968260154 /nfs/dbraw/zinc/26/01/54/968260154.db2.gz RZXPFIVFWFTPAI-UHFFFAOYSA-N 2 0 299.846 1.708 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC001521424231 970295827 /nfs/dbraw/zinc/29/58/27/970295827.db2.gz AYGXYGJIKOXDBU-ZIAGYGMSSA-N 2 0 269.433 1.763 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001495810892 972646988 /nfs/dbraw/zinc/64/69/88/972646988.db2.gz ZCVCMBKUNZZBNH-PWSUYJOCSA-N 2 0 273.808 1.033 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001378556934 975392878 /nfs/dbraw/zinc/39/28/78/975392878.db2.gz PCKHRCDLHAGZJN-ZYHUDNBSSA-N 2 0 273.808 1.175 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001398686245 976107298 /nfs/dbraw/zinc/10/72/98/976107298.db2.gz JOIBSKWXYLWXAP-ZIAGYGMSSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132887338 1163501725 /nfs/dbraw/zinc/50/17/25/1163501725.db2.gz DLODPPPIQPRFBU-GJZGRUSLSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001133315647 1163638581 /nfs/dbraw/zinc/63/85/81/1163638581.db2.gz WAYWSDMXKRRUSQ-HZPDHXFCSA-N 2 0 291.439 1.180 20 30 CDEDRP CC#CC[C@@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC001574973672 1171072929 /nfs/dbraw/zinc/07/29/29/1171072929.db2.gz XUIAQGCUJYSHGM-HUUCEWRRSA-N 2 0 293.455 1.744 20 30 CDEDRP C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CCC[NH2+]1 ZINC000591570746 342637172 /nfs/dbraw/zinc/63/71/72/342637172.db2.gz HVQANTMPDLYBFG-XJKSGUPXSA-N 2 0 299.422 1.652 20 30 CDEDRP N#Cc1cccc(C[NH+]2CCC(N[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000593320382 342788090 /nfs/dbraw/zinc/78/80/90/342788090.db2.gz HLTLMBTXPDBFIC-SFHVURJKSA-N 2 0 298.434 1.864 20 30 CDEDRP CC[C@@H](C#N)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000593444713 342798062 /nfs/dbraw/zinc/79/80/62/342798062.db2.gz YCGJWTZBAGCVNM-LSDHHAIUSA-N 2 0 294.443 1.411 20 30 CDEDRP CCN(C[C@H](C)C#N)C(=O)CN(C)C1CC[NH+](CC)CC1 ZINC000157509595 342355117 /nfs/dbraw/zinc/35/51/17/342355117.db2.gz HTEASOFRWYSVBI-CQSZACIVSA-N 2 0 294.443 1.411 20 30 CDEDRP C[NH+](C)CCCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000080576329 342356741 /nfs/dbraw/zinc/35/67/41/342356741.db2.gz UPMUUKLWWQYLRX-CYBMUJFWSA-N 2 0 276.384 1.366 20 30 CDEDRP C=CCC[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000596652377 343371085 /nfs/dbraw/zinc/37/10/85/343371085.db2.gz SYSJZBUZDKJKTA-GFCCVEGCSA-N 2 0 254.374 1.474 20 30 CDEDRP CC[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598713321 343879772 /nfs/dbraw/zinc/87/97/72/343879772.db2.gz AVEZTACOGQYAER-ZDUSSCGKSA-N 2 0 253.390 1.361 20 30 CDEDRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598719852 343883100 /nfs/dbraw/zinc/88/31/00/343883100.db2.gz KDYVLTDTHDFWJT-AWEZNQCLSA-N 2 0 267.417 1.609 20 30 CDEDRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000447543637 362454438 /nfs/dbraw/zinc/45/44/38/362454438.db2.gz RTLKTQHLUQCEOD-CHWSQXEVSA-N 2 0 251.374 1.115 20 30 CDEDRP C[NH+](C)CCNC(=O)C1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602787837 344600594 /nfs/dbraw/zinc/60/05/94/344600594.db2.gz LEQCGNFMWGUUFG-UHFFFAOYSA-N 2 0 292.427 1.070 20 30 CDEDRP COc1cc(C#N)ccc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000611235638 346704190 /nfs/dbraw/zinc/70/41/90/346704190.db2.gz ZJXIOEVBFKJAJD-OKILXGFUSA-N 2 0 257.337 1.218 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccccc1F ZINC000264059842 362953929 /nfs/dbraw/zinc/95/39/29/362953929.db2.gz CJLJFJJJZUQBGW-CQSZACIVSA-N 2 0 292.402 1.757 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)CCC[NH3+])C(C)C ZINC000269234571 359370856 /nfs/dbraw/zinc/37/08/56/359370856.db2.gz KZVASJRZHJOFIC-CQSZACIVSA-N 2 0 267.417 1.540 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)CC(C)C)CC1 ZINC000104529735 363960739 /nfs/dbraw/zinc/96/07/39/363960739.db2.gz IHEKARAVRIOCEH-UHFFFAOYSA-N 2 0 293.455 1.378 20 30 CDEDRP C[C@H]1C[NH+]=C(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)N1 ZINC000262644057 370440181 /nfs/dbraw/zinc/44/01/81/370440181.db2.gz IOCUTQOLZUHGKR-HOCLYGCPSA-N 2 0 286.423 1.978 20 30 CDEDRP N#Cc1ccc(N2CCC[C@H](N[C@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000580550957 372015994 /nfs/dbraw/zinc/01/59/94/372015994.db2.gz LHTZKTUEZIVBMO-KBPBESRZSA-N 2 0 288.370 1.618 20 30 CDEDRP Cn1cncc1CCC(=O)NCC1=CC[N@H+](C)CC1 ZINC000328806588 375959877 /nfs/dbraw/zinc/95/98/77/375959877.db2.gz DIESIFZZWBEBNU-UHFFFAOYSA-N 2 0 262.357 1.571 20 30 CDEDRP CCN(CCC#N)C(=O)CN(C)C1CC[NH+](CC)CC1 ZINC000077249317 377541932 /nfs/dbraw/zinc/54/19/32/377541932.db2.gz QFGSFPQNRSUHCT-UHFFFAOYSA-N 2 0 280.416 1.165 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000417518816 377820935 /nfs/dbraw/zinc/82/09/35/377820935.db2.gz DDSOBQOCBNBQSU-CQSZACIVSA-N 2 0 294.443 1.326 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001662304428 1172526749 /nfs/dbraw/zinc/52/67/49/1172526749.db2.gz XBWXUADOHLBQQA-QWHCGFSZSA-N 2 0 253.390 1.141 20 30 CDEDRP C#CCOc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000291644892 378462792 /nfs/dbraw/zinc/46/27/92/378462792.db2.gz BZZCCPYFLJOFSH-CQSZACIVSA-N 2 0 260.381 1.986 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)[C@H](c1ccccc1)N(C)C ZINC000293856459 378598435 /nfs/dbraw/zinc/59/84/35/378598435.db2.gz AXEYAIODUIZNCC-INIZCTEOSA-N 2 0 287.407 1.361 20 30 CDEDRP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001662844567 1172603844 /nfs/dbraw/zinc/60/38/44/1172603844.db2.gz HVMIZMDLSIRAOM-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158952657 390938329 /nfs/dbraw/zinc/93/83/29/390938329.db2.gz BLYGZXCEBIXAGW-KFWWJZLASA-N 2 0 252.402 1.730 20 30 CDEDRP C#CCN(C)CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1n1cncn1 ZINC000295128617 391055046 /nfs/dbraw/zinc/05/50/46/391055046.db2.gz ZQIUFQLGOOVUCY-OAGGEKHMSA-N 2 0 289.427 1.553 20 30 CDEDRP C=C[C@@H](CO)NCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000352465455 391148718 /nfs/dbraw/zinc/14/87/18/391148718.db2.gz KCTVQMNVOISNOI-NSHDSACASA-N 2 0 281.425 1.546 20 30 CDEDRP C=CCN1CC[C@@H]([N@@H+]2CCCC3(CC[NH+](C)CC3)C2)C1=O ZINC000366899348 391168920 /nfs/dbraw/zinc/16/89/20/391168920.db2.gz BQBQLFKDHDSVHD-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000491743326 391264630 /nfs/dbraw/zinc/26/46/30/391264630.db2.gz UGOFKQDDYCVDNJ-CQSZACIVSA-N 2 0 294.443 1.019 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[N@@H+](CC)C2CC2)CC1 ZINC000179168992 391759887 /nfs/dbraw/zinc/75/98/87/391759887.db2.gz MIXGKZZYFWGONY-UHFFFAOYSA-N 2 0 265.401 1.237 20 30 CDEDRP C[NH+]=C(NCc1cccn1C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000262754016 391818632 /nfs/dbraw/zinc/81/86/32/391818632.db2.gz AMFYEYIFRAEIQC-QWHCGFSZSA-N 2 0 289.427 1.315 20 30 CDEDRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1C#N ZINC000261728148 140380701 /nfs/dbraw/zinc/38/07/01/140380701.db2.gz KXEUVQCIWNLTHX-SOUVJXGZSA-N 2 0 271.364 1.736 20 30 CDEDRP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000329187721 227345309 /nfs/dbraw/zinc/34/53/09/227345309.db2.gz QEENECZSQCCJIL-ZFWWWQNUSA-N 2 0 295.427 1.417 20 30 CDEDRP C=CCOCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000339041115 262586847 /nfs/dbraw/zinc/58/68/47/262586847.db2.gz KNUHLVZBVMXLFD-UHFFFAOYSA-N 2 0 295.471 1.679 20 30 CDEDRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000176989673 282051532 /nfs/dbraw/zinc/05/15/32/282051532.db2.gz POZFJPSKRVPWCE-UHFFFAOYSA-N 2 0 286.423 1.674 20 30 CDEDRP CC#CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339662114 328012719 /nfs/dbraw/zinc/01/27/19/328012719.db2.gz GVYPAQBFSUAQMN-XYPWUTKMSA-N 2 0 264.413 1.973 20 30 CDEDRP C#CC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177506178 329185201 /nfs/dbraw/zinc/18/52/01/329185201.db2.gz DSOSVCZMGOFUJZ-GJZGRUSLSA-N 2 0 264.413 1.831 20 30 CDEDRP C[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)C[NH+](C)C ZINC000291927535 328267400 /nfs/dbraw/zinc/26/74/00/328267400.db2.gz NZZVSZZKNBPFIV-SECBINFHSA-N 2 0 270.327 1.889 20 30 CDEDRP C[N@H+](CCCn1ccnc1)CC(=O)Nc1ccc(C#N)cc1 ZINC000181093764 323228084 /nfs/dbraw/zinc/22/80/84/323228084.db2.gz VDGGTEJHJBNRGZ-UHFFFAOYSA-N 2 0 297.362 1.715 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+](CC)CCC)CC1 ZINC000175477690 329168921 /nfs/dbraw/zinc/16/89/21/329168921.db2.gz AJUNVKNMCKEVOD-UHFFFAOYSA-N 2 0 296.459 1.668 20 30 CDEDRP C=CCN1CC[C@@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1=O ZINC000420331219 329761606 /nfs/dbraw/zinc/76/16/06/329761606.db2.gz DJYDCTOQWBMQIM-LSDHHAIUSA-N 2 0 277.412 1.237 20 30 CDEDRP CN1CC[NH+]=C1NCc1ccc(OCC[NH+](C)C)cc1 ZINC000262669730 330025741 /nfs/dbraw/zinc/02/57/41/330025741.db2.gz QLPVVMNKQTXZRC-UHFFFAOYSA-N 2 0 276.384 1.018 20 30 CDEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH+]CC)N2CCCC2)C1 ZINC000263248161 330050577 /nfs/dbraw/zinc/05/05/77/330050577.db2.gz NVRCUXWJPHDNGJ-AWEZNQCLSA-N 2 0 266.433 1.780 20 30 CDEDRP C=CCC[C@H](CC)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000423446453 330202369 /nfs/dbraw/zinc/20/23/69/330202369.db2.gz CQLATHABSZWTCV-UXLLHSPISA-N 2 0 293.455 1.968 20 30 CDEDRP C[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[N@@H+]1CCCC[C@H]1C ZINC000424139419 330278999 /nfs/dbraw/zinc/27/89/99/330278999.db2.gz VGAYCMRIDMBBQI-MGPQQGTHSA-N 2 0 280.416 1.387 20 30 CDEDRP C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C2(CCCCC2)C1 ZINC000424153409 330299924 /nfs/dbraw/zinc/29/99/24/330299924.db2.gz KZHJEEZSXZJIAQ-AWEZNQCLSA-N 2 0 292.427 1.484 20 30 CDEDRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424154805 330302014 /nfs/dbraw/zinc/30/20/14/330302014.db2.gz MAMDFRWZTQAJGN-UONOGXRCSA-N 2 0 294.443 1.634 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH+](CC)CC)CC1 ZINC000490589309 332093623 /nfs/dbraw/zinc/09/36/23/332093623.db2.gz DJVMRHPTEGSMAK-AWEZNQCLSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)CC1 ZINC000490687966 332104028 /nfs/dbraw/zinc/10/40/28/332104028.db2.gz GDQPZKIYNXBKKS-HNNXBMFYSA-N 2 0 291.439 1.132 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000491669809 332277347 /nfs/dbraw/zinc/27/73/47/332277347.db2.gz UUQJOUKKKXCZOH-MRXNPFEDSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000491788328 332350634 /nfs/dbraw/zinc/35/06/34/332350634.db2.gz XSPWHBPVEUVXKV-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP CC[NH+]1CCN([C@H](C)C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000174269789 335151731 /nfs/dbraw/zinc/15/17/31/335151731.db2.gz XMWZCGPOKMVGPY-OAHLLOKOSA-N 2 0 280.460 1.932 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001038262826 1159232825 /nfs/dbraw/zinc/23/28/25/1159232825.db2.gz OTMKLJDECZTGRC-HUUCEWRRSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106322341 1161143820 /nfs/dbraw/zinc/14/38/20/1161143820.db2.gz LXZAYXPEOIXFHV-KFWWJZLASA-N 2 0 279.428 1.341 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC(C)C)C2)CC1 ZINC001032206505 1161303233 /nfs/dbraw/zinc/30/32/33/1161303233.db2.gz CGZIREKQSXUIDL-UHFFFAOYSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001755526180 1185979865 /nfs/dbraw/zinc/97/98/65/1185979865.db2.gz BTRWARTXWOKEOT-HUUCEWRRSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001113292355 1162147861 /nfs/dbraw/zinc/14/78/61/1162147861.db2.gz UTTBLYHBDOPIJY-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+](C)CCCC)CC1 ZINC000352720350 526432619 /nfs/dbraw/zinc/43/26/19/526432619.db2.gz LQVMDJAIPRBOIX-UHFFFAOYSA-N 2 0 296.459 1.668 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000333168612 526594134 /nfs/dbraw/zinc/59/41/34/526594134.db2.gz HTKNYCBNGVSAJW-CQSZACIVSA-N 2 0 280.416 1.078 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)[NH+](C)C)CC1 ZINC000078734301 538393724 /nfs/dbraw/zinc/39/37/24/538393724.db2.gz XJYHCDXFSDEXII-LBPRGKRZSA-N 2 0 253.390 1.093 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000766107973 576078700 /nfs/dbraw/zinc/07/87/00/576078700.db2.gz JUQRVNUGJCAFEM-JYJNAYRXSA-N 2 0 289.423 1.027 20 30 CDEDRP C#CCOCC[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000753768830 576858610 /nfs/dbraw/zinc/85/86/10/576858610.db2.gz NIXYRKNTMJFZNY-HOTGVXAUSA-N 2 0 282.428 1.363 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C)C[N@@H+](C)CCCC ZINC000753026203 577140561 /nfs/dbraw/zinc/14/05/61/577140561.db2.gz YAGLDVUGLPCFQK-CYBMUJFWSA-N 2 0 255.406 1.341 20 30 CDEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975049408 613031582 /nfs/dbraw/zinc/03/15/82/613031582.db2.gz KUFPQTFFPOLRBB-LSDHHAIUSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969115424 613145116 /nfs/dbraw/zinc/14/51/16/613145116.db2.gz PJBFWOKEXWYXRG-OAHLLOKOSA-N 2 0 289.423 1.076 20 30 CDEDRP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC000942288197 613238782 /nfs/dbraw/zinc/23/87/82/613238782.db2.gz PMJBSSSYOIJLAJ-XJKSGUPXSA-N 2 0 296.374 1.408 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944917947 613265977 /nfs/dbraw/zinc/26/59/77/613265977.db2.gz FWCSFNSGHQJFPC-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000970928478 613301719 /nfs/dbraw/zinc/30/17/19/613301719.db2.gz LJVBLSGXDPVJNM-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000981841609 613305278 /nfs/dbraw/zinc/30/52/78/613305278.db2.gz HJGGNSBQFVXRIO-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000969144661 613306193 /nfs/dbraw/zinc/30/61/93/613306193.db2.gz QPBUODVVEWQEIM-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC000965915392 613346925 /nfs/dbraw/zinc/34/69/25/613346925.db2.gz HZFPFUSPNRWTJD-UHFFFAOYSA-N 2 0 291.439 1.675 20 30 CDEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000965912738 613346990 /nfs/dbraw/zinc/34/69/90/613346990.db2.gz RFQUSKSMRCPXNP-HOUHCIJLSA-N 2 0 291.439 1.531 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000980840275 613493687 /nfs/dbraw/zinc/49/36/87/613493687.db2.gz WZNNSOXFRIBICS-AWEZNQCLSA-N 2 0 265.401 1.191 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947936724 613534019 /nfs/dbraw/zinc/53/40/19/613534019.db2.gz YAJGBEBCKCITEP-CABCVRRESA-N 2 0 291.439 1.627 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC000978343442 613559877 /nfs/dbraw/zinc/55/98/77/613559877.db2.gz CNEKESTVRNLBQU-JONQDZQNSA-N 2 0 291.439 1.341 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000947684585 613578066 /nfs/dbraw/zinc/57/80/66/613578066.db2.gz JBAFVGQUCJZYRL-GDBMZVCRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000969457232 613865307 /nfs/dbraw/zinc/86/53/07/613865307.db2.gz DGXZBNVDZBEKBS-CABCVRRESA-N 2 0 277.412 1.237 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000894218585 618730267 /nfs/dbraw/zinc/73/02/67/618730267.db2.gz HGHGZUZQGIBTKH-CABCVRRESA-N 2 0 252.402 1.899 20 30 CDEDRP CC(C)CNC(=[NH2+])NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000157386466 630597417 /nfs/dbraw/zinc/59/74/17/630597417.db2.gz SFSWYYJYQAKEGM-CQSZACIVSA-N 2 0 268.449 1.915 20 30 CDEDRP N#Cc1ccc(NCC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC000925893890 695844071 /nfs/dbraw/zinc/84/40/71/695844071.db2.gz RWWTXEBELGKGEW-CHWSQXEVSA-N 2 0 259.357 1.225 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1(C)C ZINC000995876854 695211992 /nfs/dbraw/zinc/21/19/92/695211992.db2.gz BEUKDBPXWBROLN-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000989448908 695220391 /nfs/dbraw/zinc/22/03/91/695220391.db2.gz ABADEPFAMJXULM-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000787301471 695307012 /nfs/dbraw/zinc/30/70/12/695307012.db2.gz BHHXEVSSRVBAQH-GJZGRUSLSA-N 2 0 252.402 1.736 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCC)C2)CC1 ZINC001016335187 695323464 /nfs/dbraw/zinc/32/34/64/695323464.db2.gz BJGVELHURKECGO-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001044744426 695354103 /nfs/dbraw/zinc/35/41/03/695354103.db2.gz OWHHHSYGWIRMIL-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001018938239 695355551 /nfs/dbraw/zinc/35/55/51/695355551.db2.gz FGMCNHDYQMCXFS-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001000993826 695366383 /nfs/dbraw/zinc/36/63/83/695366383.db2.gz UHDZHBJESILMAY-HNNXBMFYSA-N 2 0 277.412 1.076 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000996717487 695394060 /nfs/dbraw/zinc/39/40/60/695394060.db2.gz APSPXFDCDIATGF-HNNXBMFYSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992149938 695416476 /nfs/dbraw/zinc/41/64/76/695416476.db2.gz GNDQNEQZQXRDFG-WBVHZDCISA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000073437071 695461395 /nfs/dbraw/zinc/46/13/95/695461395.db2.gz WONUZBOHMWOESX-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP CN(C)C(=[NH2+])NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000178571887 695498858 /nfs/dbraw/zinc/49/88/58/695498858.db2.gz PEYVYWROCGPEPQ-CQSZACIVSA-N 2 0 266.433 1.907 20 30 CDEDRP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001046393439 695548413 /nfs/dbraw/zinc/54/84/13/695548413.db2.gz GWGCMSXCMSGHRG-IOASZLSFSA-N 2 0 286.379 1.117 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001031931420 695569522 /nfs/dbraw/zinc/56/95/22/695569522.db2.gz JAMURMXKQNGCCO-UHFFFAOYSA-N 2 0 289.379 1.026 20 30 CDEDRP CN1CCN(c2cc[nH+]cc2NC(=O)C#CC2CC2)CC1 ZINC000837358955 695639361 /nfs/dbraw/zinc/63/93/61/695639361.db2.gz DRUKPZPTLDYXEK-UHFFFAOYSA-N 2 0 284.363 1.185 20 30 CDEDRP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001035166546 695654745 /nfs/dbraw/zinc/65/47/45/695654745.db2.gz PQKXIGRERCXJGY-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP C[C@H](CNC(=[NH2+])Nc1ccccn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245903696 695664324 /nfs/dbraw/zinc/66/43/24/695664324.db2.gz LSRVCUFGSBPIMW-CHWSQXEVSA-N 2 0 275.400 1.929 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033225015 695691918 /nfs/dbraw/zinc/69/19/18/695691918.db2.gz BZEPRSJRHSLYTE-OAHLLOKOSA-N 2 0 291.439 1.724 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000985803901 695710359 /nfs/dbraw/zinc/71/03/59/695710359.db2.gz KHFUKYDRVWYWCQ-GJZGRUSLSA-N 2 0 293.455 1.968 20 30 CDEDRP C=CC[NH+]1CCC(C)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001045621368 695717276 /nfs/dbraw/zinc/71/72/76/695717276.db2.gz JIFMWXXRYCLJNC-UHFFFAOYSA-N 2 0 277.412 1.239 20 30 CDEDRP C[NH+]=C(NC[C@H](C1CCCCC1)[NH+](C)C)NC1CC1 ZINC000103338396 695740692 /nfs/dbraw/zinc/74/06/92/695740692.db2.gz LXMQPXXLNPRAHN-CQSZACIVSA-N 2 0 266.433 1.824 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000985684835 695745589 /nfs/dbraw/zinc/74/55/89/695745589.db2.gz AVONSANEXBPVDE-UHFFFAOYSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999352202 695753652 /nfs/dbraw/zinc/75/36/52/695753652.db2.gz JAJPLALRUBSZJW-HZPDHXFCSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049097757 695781497 /nfs/dbraw/zinc/78/14/97/695781497.db2.gz RTURNQIGSCBWRI-IYBDPMFKSA-N 2 0 291.439 1.295 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001007369897 695798009 /nfs/dbraw/zinc/79/80/09/695798009.db2.gz UBZCIAGXBGAOON-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)Cn3ccnc3)C2)C1 ZINC001041855318 695825061 /nfs/dbraw/zinc/82/50/61/695825061.db2.gz HNNYEXWKJLZTQJ-INIZCTEOSA-N 2 0 288.395 1.384 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CC)CC2)CC1 ZINC001034795957 695827269 /nfs/dbraw/zinc/82/72/69/695827269.db2.gz ZEGBYSNYVXUDHI-WKILWMFISA-N 2 0 291.439 1.369 20 30 CDEDRP C[NH+]=C(NCC1(C2CC2)CC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261948179 695836124 /nfs/dbraw/zinc/83/61/24/695836124.db2.gz GNICTXYXXHVUAU-IUODEOHRSA-N 2 0 290.455 1.824 20 30 CDEDRP C#CCN1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071820599 695848937 /nfs/dbraw/zinc/84/89/37/695848937.db2.gz ALYIJEOLOFGJLH-CABCVRRESA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001076240039 695861449 /nfs/dbraw/zinc/86/14/49/695861449.db2.gz HVYXMSLHIJIJSB-SOUVJXGZSA-N 2 0 277.412 1.189 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)C[NH+]1CCCC1 ZINC000104174501 695865148 /nfs/dbraw/zinc/86/51/48/695865148.db2.gz BYXMNGNHDMLQDD-CABCVRRESA-N 3 0 295.475 1.107 20 30 CDEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031980416 695871842 /nfs/dbraw/zinc/87/18/42/695871842.db2.gz PZRKQTDFLLKVOH-HIFRSBDPSA-N 2 0 279.428 1.198 20 30 CDEDRP CCNC(NC[C@@H]1CCC[N@@H+](C(C)C)C1)=[NH+]CC ZINC000303262697 695873918 /nfs/dbraw/zinc/87/39/18/695873918.db2.gz PZWJEGRVZRUSEP-ZDUSSCGKSA-N 2 0 254.422 1.682 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001020723336 695886221 /nfs/dbraw/zinc/88/62/21/695886221.db2.gz WHHXOBYPTLMBAT-AJNGGQMLSA-N 2 0 277.412 1.426 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001050075348 695914757 /nfs/dbraw/zinc/91/47/57/695914757.db2.gz CSHQXDMGCMRZOQ-RRFJBIMHSA-N 2 0 279.428 1.435 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000996664375 695950795 /nfs/dbraw/zinc/95/07/95/695950795.db2.gz VLKAYDUKDDLZAR-OAHLLOKOSA-N 2 0 279.428 1.627 20 30 CDEDRP CCO[C@H](CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)C(C)C ZINC000304771357 695982657 /nfs/dbraw/zinc/98/26/57/695982657.db2.gz AAHZOKNTVUPMAI-HUUCEWRRSA-N 2 0 298.475 1.826 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015648896 696078141 /nfs/dbraw/zinc/07/81/41/696078141.db2.gz MQHMNKNMBVQMAP-AWEZNQCLSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001028235425 696201998 /nfs/dbraw/zinc/20/19/98/696201998.db2.gz XHESENWFLAPROX-MRXNPFEDSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049213273 696219226 /nfs/dbraw/zinc/21/92/26/696219226.db2.gz LWXRUUKFSXIQNU-MELADBBJSA-N 2 0 297.830 1.081 20 30 CDEDRP C#Cc1ccc(C[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000809606193 1163045532 /nfs/dbraw/zinc/04/55/32/1163045532.db2.gz VPVDXLZIVAQMPC-INIZCTEOSA-N 2 0 285.435 1.784 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132273233 1163224193 /nfs/dbraw/zinc/22/41/93/1163224193.db2.gz FGBPGYACIDDCMS-STQMWFEESA-N 2 0 253.390 1.093 20 30 CDEDRP C=CCOC1CCC([NH2+]CC2CC[NH+](CCO)CC2)CC1 ZINC001173315924 1164293425 /nfs/dbraw/zinc/29/34/25/1164293425.db2.gz SWIHNXVXVHOESQ-UHFFFAOYSA-N 2 0 296.455 1.794 20 30 CDEDRP C[NH+]1CCN(C2CC[NH+](CCC(C)(C)C#N)CC2)CC1 ZINC000879593807 1166383106 /nfs/dbraw/zinc/38/31/06/1166383106.db2.gz NYMBPFMYKATLQE-UHFFFAOYSA-N 2 0 278.444 1.638 20 30 CDEDRP C#CC[C@]1(C(=O)NC2CCC(C)([NH+](C)C)CC2)CCC[NH2+]1 ZINC001574517823 1170990926 /nfs/dbraw/zinc/99/09/26/1170990926.db2.gz QQWBWKOHPNJKDZ-BDVYOWHSSA-N 2 0 291.439 1.511 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001661833092 1172452413 /nfs/dbraw/zinc/45/24/13/1172452413.db2.gz VYVBTEMNQWKPQU-HZPDHXFCSA-N 2 0 293.455 1.424 20 30 CDEDRP C=CCCCCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000232572198 1178194388 /nfs/dbraw/zinc/19/43/88/1178194388.db2.gz BZCFQKWXYGQDCH-HNNXBMFYSA-N 2 0 279.428 1.629 20 30 CDEDRP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001716005726 1179978754 /nfs/dbraw/zinc/97/87/54/1179978754.db2.gz WTTALFGBGQEJRX-QWHCGFSZSA-N 2 0 255.406 1.243 20 30 CDEDRP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001717458882 1180679809 /nfs/dbraw/zinc/67/98/09/1180679809.db2.gz INJKBXDCWGQUNP-CQSZACIVSA-N 2 0 283.460 1.977 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)CCC[NH+](C)C)C1 ZINC001753329151 1183978348 /nfs/dbraw/zinc/97/83/48/1183978348.db2.gz VRVCGSDMZNXFQE-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001752690771 1184894638 /nfs/dbraw/zinc/89/46/38/1184894638.db2.gz FNGDUGNEKUVVJD-WKILWMFISA-N 2 0 291.439 1.513 20 30 CDEDRP C=C(C)CC[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001752897893 1184956045 /nfs/dbraw/zinc/95/60/45/1184956045.db2.gz JTKQMKPLEVRZBP-CYBMUJFWSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001752980909 1184981878 /nfs/dbraw/zinc/98/18/78/1184981878.db2.gz SXXDSAQVXBVNGA-CABCVRRESA-N 2 0 279.428 1.369 20 30 CDEDRP C=CC[N@H+](CC)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001753084733 1185049741 /nfs/dbraw/zinc/04/97/41/1185049741.db2.gz BEKCGPNGZMSBTF-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+]C[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001753645071 1185282403 /nfs/dbraw/zinc/28/24/03/1185282403.db2.gz RREYHXABWGAKIZ-CQSZACIVSA-N 2 0 267.417 1.390 20 30 CDEDRP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001753788391 1185335352 /nfs/dbraw/zinc/33/53/52/1185335352.db2.gz NPNCGXIGPKVUMA-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001753842245 1185353970 /nfs/dbraw/zinc/35/39/70/1185353970.db2.gz JJDSYIQCTDEYDY-AWEZNQCLSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CC[NH2+]C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001754453729 1185624514 /nfs/dbraw/zinc/62/45/14/1185624514.db2.gz BNZIXONFOXLZLX-KRWDZBQOSA-N 2 0 299.418 1.479 20 30 CDEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001754567590 1185667241 /nfs/dbraw/zinc/66/72/41/1185667241.db2.gz PWJYJRJCEXZTHE-HNNXBMFYSA-N 2 0 265.401 1.049 20 30 CDEDRP C=CC[NH+]1CCC(C)(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001754630321 1185689791 /nfs/dbraw/zinc/68/97/91/1185689791.db2.gz XJECLLHTSFZLLM-UHFFFAOYSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001754794617 1185732561 /nfs/dbraw/zinc/73/25/61/1185732561.db2.gz DWPJVKBMMBOIJM-LSDHHAIUSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001754817979 1185740212 /nfs/dbraw/zinc/74/02/12/1185740212.db2.gz OUONUFHEHCDDRZ-CABCVRRESA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001754961352 1185770381 /nfs/dbraw/zinc/77/03/81/1185770381.db2.gz QXFBPLUBVARBNM-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001755132112 1185825994 /nfs/dbraw/zinc/82/59/94/1185825994.db2.gz ZQNUQJJOWFMYBA-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001755241788 1185872488 /nfs/dbraw/zinc/87/24/88/1185872488.db2.gz HVCAJDAKGSSFPG-CHWSQXEVSA-N 2 0 298.390 1.762 20 30 CDEDRP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001755269674 1185883578 /nfs/dbraw/zinc/88/35/78/1185883578.db2.gz KRKGEGBBBSSFIS-HUUCEWRRSA-N 2 0 281.444 1.921 20 30 CDEDRP CC#CC[NH2+]CC1(NC(=O)C[N@@H+](C)CCC)CCCCC1 ZINC001755355646 1185925885 /nfs/dbraw/zinc/92/58/85/1185925885.db2.gz OFVUPIFSYQGXPJ-UHFFFAOYSA-N 2 0 293.455 1.760 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001755657570 1186027315 /nfs/dbraw/zinc/02/73/15/1186027315.db2.gz ARSPVNZZVMDENT-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001028579541 724416721 /nfs/dbraw/zinc/41/67/21/724416721.db2.gz GVDADPHLFKXYLU-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001014722306 724428076 /nfs/dbraw/zinc/42/80/76/724428076.db2.gz LYZKLDMMFIVFKM-JKSUJKDBSA-N 2 0 291.439 1.463 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCCCCC[NH3+])CC1 ZINC000831127335 723702453 /nfs/dbraw/zinc/70/24/53/723702453.db2.gz KXKQDKFVPDSQEV-UHFFFAOYSA-N 2 0 296.459 1.845 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076569106 723708526 /nfs/dbraw/zinc/70/85/26/723708526.db2.gz KAKNVAONMFIQAR-SOUVJXGZSA-N 2 0 277.412 1.047 20 30 CDEDRP C=CCNC(=[NH2+])NCC1([NH+](C)C)CCCCCC1 ZINC000261661295 723769772 /nfs/dbraw/zinc/76/97/72/723769772.db2.gz ATYFJRGBQGAEJB-UHFFFAOYSA-N 2 0 252.406 1.731 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001052394772 723773184 /nfs/dbraw/zinc/77/31/84/723773184.db2.gz FFZHVQNERIMZHO-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033072066 723781784 /nfs/dbraw/zinc/78/17/84/723781784.db2.gz JLLVZTGRBAADNR-GJZGRUSLSA-N 2 0 279.428 1.578 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008406476 723817091 /nfs/dbraw/zinc/81/70/91/723817091.db2.gz OCUSNQWSALPQBA-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](NC(=O)Cn2ccnc2)[C@@H]1C ZINC000994502806 723781309 /nfs/dbraw/zinc/78/13/09/723781309.db2.gz CUIVODKPQWZGLX-STQMWFEESA-N 2 0 262.357 1.038 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001001001782 723855067 /nfs/dbraw/zinc/85/50/67/723855067.db2.gz LUPDSXOIDJJJSZ-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000303894753 724011749 /nfs/dbraw/zinc/01/17/49/724011749.db2.gz SUHZFGZKGSTNRI-CYBMUJFWSA-N 2 0 252.406 1.423 20 30 CDEDRP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001023554820 724059803 /nfs/dbraw/zinc/05/98/03/724059803.db2.gz QKKGVWDATLGQFH-JYJNAYRXSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001049641130 724039381 /nfs/dbraw/zinc/03/93/81/724039381.db2.gz LAHRALNVZIYPSE-OWCLPIDISA-N 2 0 291.439 1.722 20 30 CDEDRP C#CCN1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001071738850 724099473 /nfs/dbraw/zinc/09/94/73/724099473.db2.gz JSNCCVZBNDFGAX-LSDHHAIUSA-N 2 0 291.439 1.463 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC000996650606 724131538 /nfs/dbraw/zinc/13/15/38/724131538.db2.gz KZIZMIKCEZNKDO-UHFFFAOYSA-N 2 0 276.384 1.499 20 30 CDEDRP C#CCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072081153 724333610 /nfs/dbraw/zinc/33/36/10/724333610.db2.gz HIZUIIQUEVFMCY-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200649 724445469 /nfs/dbraw/zinc/44/54/69/724445469.db2.gz UPASYLPAXCINJX-GXTWGEPZSA-N 2 0 265.401 1.141 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001032454092 724454060 /nfs/dbraw/zinc/45/40/60/724454060.db2.gz CVPALMMVQFYYIN-JYJNAYRXSA-N 2 0 291.439 1.722 20 30 CDEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001016972973 724513514 /nfs/dbraw/zinc/51/35/14/724513514.db2.gz ZUCWQXZXUMEITM-HNNXBMFYSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CC[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024630265 724537586 /nfs/dbraw/zinc/53/75/86/724537586.db2.gz MGTMMCXBKZQFTI-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052938089 724617517 /nfs/dbraw/zinc/61/75/17/724617517.db2.gz QQNHGVZKZSOAST-HNNXBMFYSA-N 2 0 279.428 1.629 20 30 CDEDRP C#CCN1CCC[C@H](NC(=O)N[C@@H](C)C[NH+](CC)CC)C1 ZINC000884200559 724663242 /nfs/dbraw/zinc/66/32/42/724663242.db2.gz FPHRPNSCNPZIOK-GJZGRUSLSA-N 2 0 294.443 1.114 20 30 CDEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001045639424 724720415 /nfs/dbraw/zinc/72/04/15/724720415.db2.gz KRPQTWUSQRUCHT-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C1 ZINC001048864298 724767049 /nfs/dbraw/zinc/76/70/49/724767049.db2.gz WFWOMTTZYXPQPA-XHSDSOJGSA-N 2 0 291.439 1.293 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001014426488 724772258 /nfs/dbraw/zinc/77/22/58/724772258.db2.gz SDNRHCDGCORYGW-OAHLLOKOSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001049059506 724802330 /nfs/dbraw/zinc/80/23/30/724802330.db2.gz RXLUTTDOLDIBJL-HRCADAONSA-N 2 0 291.439 1.295 20 30 CDEDRP C[NH+]1CCC(CCNC(=[NH2+])NCCc2ccccc2)CC1 ZINC000303867180 724824553 /nfs/dbraw/zinc/82/45/53/724824553.db2.gz CTFQJKZUQHDMCI-UHFFFAOYSA-N 2 0 288.439 1.865 20 30 CDEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997419965 723739266 /nfs/dbraw/zinc/73/92/66/723739266.db2.gz FLXUTBFQAILNTR-ZBFHGGJFSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009224080 723745467 /nfs/dbraw/zinc/74/54/67/723745467.db2.gz IKXUBXPBILMFRV-HNNXBMFYSA-N 2 0 291.439 1.629 20 30 CDEDRP C[C@H](C#N)OCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134920 723756522 /nfs/dbraw/zinc/75/65/22/723756522.db2.gz SLDXMMZYZJSLDF-ZIAGYGMSSA-N 2 0 274.368 1.521 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001006445038 723797004 /nfs/dbraw/zinc/79/70/04/723797004.db2.gz YRVLZBNUSFPIMM-HUUCEWRRSA-N 2 0 293.455 1.968 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000928660248 723883500 /nfs/dbraw/zinc/88/35/00/723883500.db2.gz JNWCTTKUHHQPKY-UHFFFAOYSA-N 2 0 291.439 1.465 20 30 CDEDRP CCNC(NCC1(C[NH+](C)C)CCCC1)=[NH+]CC ZINC000305842665 723953660 /nfs/dbraw/zinc/95/36/60/723953660.db2.gz ZZLSCBIRVNSAPF-UHFFFAOYSA-N 2 0 254.422 1.683 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001027547490 724001160 /nfs/dbraw/zinc/00/11/60/724001160.db2.gz SPLUQWFMWVDZLD-HRCADAONSA-N 2 0 291.439 1.273 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001072815691 724030489 /nfs/dbraw/zinc/03/04/89/724030489.db2.gz CFYHFDVVCMTMEK-UHFFFAOYSA-N 2 0 277.412 1.191 20 30 CDEDRP CN(C)C(=[NH2+])NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000178590133 724052230 /nfs/dbraw/zinc/05/22/30/724052230.db2.gz XHLOUQBUBQONNJ-UHFFFAOYSA-N 2 0 290.411 1.020 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001001761783 724097944 /nfs/dbraw/zinc/09/79/44/724097944.db2.gz OQJZFHBRGFOZOD-HOCLYGCPSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001014628588 724122028 /nfs/dbraw/zinc/12/20/28/724122028.db2.gz JFANWBKXHQGPIF-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C ZINC000886597998 724267796 /nfs/dbraw/zinc/26/77/96/724267796.db2.gz RDOFLRACVCUDHY-CQSZACIVSA-N 2 0 267.417 1.293 20 30 CDEDRP C=CC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001000333350 725081423 /nfs/dbraw/zinc/08/14/23/725081423.db2.gz NUILRDHUPLLDSS-CQSZACIVSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH+](C)C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000985803897 725082043 /nfs/dbraw/zinc/08/20/43/725082043.db2.gz KHFUKYDRVWYWCQ-GASCZTMLSA-N 2 0 293.455 1.968 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000996476857 725119830 /nfs/dbraw/zinc/11/98/30/725119830.db2.gz IDOQVNXSXUPBGE-GDBMZVCRSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001003252208 725155373 /nfs/dbraw/zinc/15/53/73/725155373.db2.gz NZGAVEUKAWUTFL-UHFFFAOYSA-N 2 0 284.363 1.715 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001015031307 725166881 /nfs/dbraw/zinc/16/68/81/725166881.db2.gz DQISMYDKNMVADF-AWEZNQCLSA-N 2 0 296.374 1.470 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001021088333 725224262 /nfs/dbraw/zinc/22/42/62/725224262.db2.gz NAHVPBJNQXNBQE-YXSUXZIUSA-N 2 0 299.846 1.849 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016248952 725342909 /nfs/dbraw/zinc/34/29/09/725342909.db2.gz FOSYJZJJAVULIE-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001049060316 725362666 /nfs/dbraw/zinc/36/26/66/725362666.db2.gz RLRQKXVBWGOTJX-WCVJEAGWSA-N 2 0 291.439 1.150 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000986812181 725389738 /nfs/dbraw/zinc/38/97/38/725389738.db2.gz OIAGAKCSWDKOOO-UKRRQHHQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039469889 725398620 /nfs/dbraw/zinc/39/86/20/725398620.db2.gz LVTPSMGPLZOSIG-OAGGEKHMSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3cncn3C)C[C@@H]21 ZINC001042308242 725408115 /nfs/dbraw/zinc/40/81/15/725408115.db2.gz FXKKVDSWGIYNQS-ZFWWWQNUSA-N 2 0 288.395 1.071 20 30 CDEDRP [NH2+]=C(NCCc1ccccc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000303889560 725415909 /nfs/dbraw/zinc/41/59/09/725415909.db2.gz MAVUXIVBBJHOSH-HNNXBMFYSA-N 2 0 286.423 1.618 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOCCC(C)C ZINC000303863691 725428173 /nfs/dbraw/zinc/42/81/73/725428173.db2.gz AMTSCIHMUQGHTM-AWEZNQCLSA-N 2 0 284.448 1.438 20 30 CDEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001045445040 725436068 /nfs/dbraw/zinc/43/60/68/725436068.db2.gz QBXLJCXHAHCDCK-ZIAGYGMSSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001054905623 725443048 /nfs/dbraw/zinc/44/30/48/725443048.db2.gz HXOPORLQWWUCEX-SWLSCSKDSA-N 2 0 282.347 1.018 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023372467 725462977 /nfs/dbraw/zinc/46/29/77/725462977.db2.gz SXOHYIVJGIROMA-GDBMZVCRSA-N 2 0 291.439 1.342 20 30 CDEDRP C#CCC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000787301474 725463381 /nfs/dbraw/zinc/46/33/81/725463381.db2.gz BHHXEVSSRVBAQH-LSDHHAIUSA-N 2 0 252.402 1.736 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000303877656 725507927 /nfs/dbraw/zinc/50/79/27/725507927.db2.gz FMMQANPYXMVQOP-CABCVRRESA-N 2 0 298.475 1.682 20 30 CDEDRP C#CCC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001038819459 725549329 /nfs/dbraw/zinc/54/93/29/725549329.db2.gz WIMQUYPXICDOIN-KRWDZBQOSA-N 2 0 299.418 1.576 20 30 CDEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001034673398 725698411 /nfs/dbraw/zinc/69/84/11/725698411.db2.gz ZLXJSRJJLBVKSC-RBSFLKMASA-N 2 0 277.412 1.121 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC)[C@H]2C)CC1 ZINC000994500940 725948485 /nfs/dbraw/zinc/94/84/85/725948485.db2.gz RVLPBQQPJZEQDG-GOEBONIOSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC=C)C2)CC1 ZINC001046849480 725994102 /nfs/dbraw/zinc/99/41/02/725994102.db2.gz GBEGUHPOZIKYEQ-KRWDZBQOSA-N 2 0 289.423 1.098 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001019274571 726005736 /nfs/dbraw/zinc/00/57/36/726005736.db2.gz GFMCLEHGVHOKAZ-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028931907 726006476 /nfs/dbraw/zinc/00/64/76/726006476.db2.gz ZFVZZQNQUXWICB-CQSZACIVSA-N 2 0 277.412 1.096 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001752950798 1166985259 /nfs/dbraw/zinc/98/52/59/1166985259.db2.gz BDVSCDRFDQUBCD-HOTGVXAUSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209408427 894646827 /nfs/dbraw/zinc/64/68/27/894646827.db2.gz NUWTXOHVKJUNPB-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001206884616 894816479 /nfs/dbraw/zinc/81/64/79/894816479.db2.gz XFOFTEJFWONPOT-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001167225367 894908269 /nfs/dbraw/zinc/90/82/69/894908269.db2.gz SPLQQMKPYKCTEV-AWEZNQCLSA-N 2 0 279.428 1.533 20 30 CDEDRP O=C(Cc1c[nH]cn1)NCCC[NH2+]CC#Cc1ccccc1 ZINC001167355573 895419473 /nfs/dbraw/zinc/41/94/73/895419473.db2.gz PWJGELKPUJXZLO-UHFFFAOYSA-N 2 0 296.374 1.100 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176160454 913989150 /nfs/dbraw/zinc/98/91/50/913989150.db2.gz FYVPMEKWHXNHLA-HNNXBMFYSA-N 2 0 297.443 1.017 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001167523188 896705651 /nfs/dbraw/zinc/70/56/51/896705651.db2.gz QLNDXAPORYKRJL-UHFFFAOYSA-N 2 0 291.439 1.228 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001176844027 914267892 /nfs/dbraw/zinc/26/78/92/914267892.db2.gz DXNCPALKRJNHML-ZIAGYGMSSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001104691722 898890015 /nfs/dbraw/zinc/89/00/15/898890015.db2.gz SRMWAILGJCBPQW-KFWWJZLASA-N 2 0 281.444 1.587 20 30 CDEDRP COC(=O)C1(C#N)CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168331065 909071288 /nfs/dbraw/zinc/07/12/88/909071288.db2.gz XWLSJEMCFZYXGV-UHFFFAOYSA-N 2 0 293.411 1.638 20 30 CDEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001092621385 909476440 /nfs/dbraw/zinc/47/64/40/909476440.db2.gz GUSLEOTWCAIKQM-KLHDSHLOSA-N 2 0 291.439 1.034 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092935024 909553410 /nfs/dbraw/zinc/55/34/10/909553410.db2.gz ODZTYZJXMNPGFK-GDBMZVCRSA-N 2 0 293.455 1.588 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171540259 910801246 /nfs/dbraw/zinc/80/12/46/910801246.db2.gz XUGHZIVKSZKXLS-HOTGVXAUSA-N 2 0 293.455 1.759 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C ZINC001088860177 911988601 /nfs/dbraw/zinc/98/86/01/911988601.db2.gz YPXLZWILHUZLRM-ZNMIVQPWSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001178045236 915119551 /nfs/dbraw/zinc/11/95/51/915119551.db2.gz GXYALNXISQWKAF-OAHLLOKOSA-N 2 0 281.444 1.923 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001106907477 915419158 /nfs/dbraw/zinc/41/91/58/915419158.db2.gz NGRHTRAFHDVRNP-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001178832080 915645517 /nfs/dbraw/zinc/64/55/17/915645517.db2.gz CZFHJWJGFVXUME-INIZCTEOSA-N 2 0 293.455 1.760 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001179586410 915888976 /nfs/dbraw/zinc/88/89/76/915888976.db2.gz OCZPMAMQUZTQDS-CVEARBPZSA-N 2 0 293.455 1.474 20 30 CDEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001484993410 916379029 /nfs/dbraw/zinc/37/90/29/916379029.db2.gz JWWPUCRYSCEECY-LSDHHAIUSA-N 2 0 279.428 1.369 20 30 CDEDRP C[C@@H](CNC(=[NH2+])N1CCC[C@H](C)C1)C[NH+]1CCCC1 ZINC000303895507 935047137 /nfs/dbraw/zinc/04/71/37/935047137.db2.gz TXXDLNNTKHCBSQ-KBPBESRZSA-N 2 0 266.433 1.765 20 30 CDEDRP N#C[C@@H]1CC[C@@H]([NH2+]CCCOCCOCCC[NH3+])C1 ZINC001254637307 936412500 /nfs/dbraw/zinc/41/25/00/936412500.db2.gz OMZYUSMKTBEOBD-ZIAGYGMSSA-N 2 0 269.389 1.040 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001107033723 917863723 /nfs/dbraw/zinc/86/37/23/917863723.db2.gz XWZSPUSONDPXSJ-HZPDHXFCSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001182933845 918240049 /nfs/dbraw/zinc/24/00/49/918240049.db2.gz PEXNBMMOKWRGPT-NVXWUHKLSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001183082415 918280103 /nfs/dbraw/zinc/28/01/03/918280103.db2.gz UIZOUPSHZUFTOR-GDBMZVCRSA-N 2 0 281.444 1.588 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001001010423 936546042 /nfs/dbraw/zinc/54/60/42/936546042.db2.gz URQALOANSRDGBB-CVEARBPZSA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001185031512 919389284 /nfs/dbraw/zinc/38/92/84/919389284.db2.gz PWMWPHKRDFBHRW-JKSUJKDBSA-N 2 0 293.455 1.426 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001186420125 920027161 /nfs/dbraw/zinc/02/71/61/920027161.db2.gz KGXFXCOIEVFCTH-HZPDHXFCSA-N 2 0 293.455 1.567 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001188346376 920983965 /nfs/dbraw/zinc/98/39/65/920983965.db2.gz LBWHZOKJEWXNSP-MRXNPFEDSA-N 2 0 291.439 1.466 20 30 CDEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001486446211 921018637 /nfs/dbraw/zinc/01/86/37/921018637.db2.gz BZPPEVUSINRGSZ-HOCLYGCPSA-N 2 0 293.455 1.423 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203028380 936706883 /nfs/dbraw/zinc/70/68/83/936706883.db2.gz MUMCFPPCOYKSDE-UONOGXRCSA-N 2 0 291.439 1.674 20 30 CDEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001190084831 921836221 /nfs/dbraw/zinc/83/62/21/921836221.db2.gz SOZRBUHOOXKAGM-JKSUJKDBSA-N 2 0 293.455 1.968 20 30 CDEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001190946682 922301438 /nfs/dbraw/zinc/30/14/38/922301438.db2.gz LVSNOCZDVUKOBR-HUUCEWRRSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191685257 922718785 /nfs/dbraw/zinc/71/87/85/922718785.db2.gz YGTDVHJASCCZMP-OAHLLOKOSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099240929 936784038 /nfs/dbraw/zinc/78/40/38/936784038.db2.gz WDLKWPADVJWOHZ-GJZGRUSLSA-N 2 0 293.455 1.567 20 30 CDEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192384874 923050137 /nfs/dbraw/zinc/05/01/37/923050137.db2.gz AXVHATNSTFQIJM-OAHLLOKOSA-N 2 0 291.439 1.274 20 30 CDEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192407347 923087275 /nfs/dbraw/zinc/08/72/75/923087275.db2.gz UYAMKGIEMMUQBI-OAHLLOKOSA-N 2 0 293.455 1.520 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194229673 924108572 /nfs/dbraw/zinc/10/85/72/924108572.db2.gz ZSFUKCYAZXWQQB-OAHLLOKOSA-N 2 0 277.412 1.028 20 30 CDEDRP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001080017462 924468312 /nfs/dbraw/zinc/46/83/12/924468312.db2.gz KWCDFPFGBCMHOO-BZUAXINKSA-N 2 0 293.455 1.729 20 30 CDEDRP C=C(C)C[N@H+]1CCCN(C(=O)C[NH+](CC)CC)CC1 ZINC001197492335 925152652 /nfs/dbraw/zinc/15/26/52/925152652.db2.gz OVBMYPHCWZBBFE-UHFFFAOYSA-N 2 0 267.417 1.439 20 30 CDEDRP C=C(C)CC[N@H+]1CCCN(C(=O)C[NH+](CC)CC)CC1 ZINC001197511424 925154594 /nfs/dbraw/zinc/15/45/94/925154594.db2.gz LGYAQJGKYBPBMB-UHFFFAOYSA-N 2 0 281.444 1.829 20 30 CDEDRP C=CCCC[N@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197833573 925229031 /nfs/dbraw/zinc/22/90/31/925229031.db2.gz XAJFHHDLTOTFMH-UHFFFAOYSA-N 2 0 297.443 1.065 20 30 CDEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152392902 925317765 /nfs/dbraw/zinc/31/77/65/925317765.db2.gz YFJHCKONENEIHY-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084905650 925488126 /nfs/dbraw/zinc/48/81/26/925488126.db2.gz GWXRMLCGOHOAGK-OAGGEKHMSA-N 2 0 289.423 1.027 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001085152488 925691542 /nfs/dbraw/zinc/69/15/42/925691542.db2.gz GTPMEKLHKFDLPH-KFWWJZLASA-N 2 0 279.428 1.674 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102288815 937050879 /nfs/dbraw/zinc/05/08/79/937050879.db2.gz WVYCCTKLMSWRSU-HUUCEWRRSA-N 2 0 293.455 1.588 20 30 CDEDRP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102319058 937052370 /nfs/dbraw/zinc/05/23/70/937052370.db2.gz XBVFELIQDVJGLI-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001201267092 926248201 /nfs/dbraw/zinc/24/82/01/926248201.db2.gz JXXMCRBMENXPMT-HNNXBMFYSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001086132345 926734507 /nfs/dbraw/zinc/73/45/07/926734507.db2.gz NJRHDICWGACDMK-OKILXGFUSA-N 2 0 298.390 1.927 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086216886 926840472 /nfs/dbraw/zinc/84/04/72/926840472.db2.gz FDBWZAUMBBHJMC-XHSDSOJGSA-N 2 0 291.439 1.367 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001086428791 927122839 /nfs/dbraw/zinc/12/28/39/927122839.db2.gz JDJLXTYUTCCMPS-MQMHXKEQSA-N 2 0 282.347 1.066 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001103643956 937149390 /nfs/dbraw/zinc/14/93/90/937149390.db2.gz YZYRQMRJHFXXCV-OWCLPIDISA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001108357201 927433719 /nfs/dbraw/zinc/43/37/19/927433719.db2.gz ZWRMWGHPXFXBPY-MRXNPFEDSA-N 2 0 297.443 1.111 20 30 CDEDRP CC[NH+]1CCC(NC2(C#N)CC[NH+](C)CC2)CC1 ZINC001169241090 927871698 /nfs/dbraw/zinc/87/16/98/927871698.db2.gz GRYZWIOKVGJRRS-UHFFFAOYSA-N 2 0 250.390 1.048 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)c1ccccc1C[NH+](C)C ZINC001152383184 937358092 /nfs/dbraw/zinc/35/80/92/937358092.db2.gz DHMICLZGZZCITH-UHFFFAOYSA-N 2 0 275.396 1.644 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134999357 929996849 /nfs/dbraw/zinc/99/68/49/929996849.db2.gz PMMNZJYWPHOJFO-ZIAGYGMSSA-N 2 0 298.390 1.844 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135297415 930134508 /nfs/dbraw/zinc/13/45/08/930134508.db2.gz BCKXRCVTNWWBIY-ZIAGYGMSSA-N 2 0 279.428 1.224 20 30 CDEDRP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001135511429 930242140 /nfs/dbraw/zinc/24/21/40/930242140.db2.gz RSPIDPSNPJHEOT-UHFFFAOYSA-N 2 0 288.395 1.106 20 30 CDEDRP CC[C@]([NH3+])(CO)Nc1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001170864794 930513757 /nfs/dbraw/zinc/51/37/57/930513757.db2.gz WXUPOFQTRQKIMA-NGWPFTMJSA-N 2 0 275.356 1.249 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135923335 930542265 /nfs/dbraw/zinc/54/22/65/930542265.db2.gz JQGVEBOOMLAJEK-ZIAGYGMSSA-N 2 0 285.432 1.014 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153312403 937438886 /nfs/dbraw/zinc/43/88/86/937438886.db2.gz IIKQCLPATJDSSX-CVEARBPZSA-N 2 0 293.455 1.709 20 30 CDEDRP COc1c(N[C@@H]([NH3+])CCC[NH3+])ccc(F)c1C#N ZINC001170905171 930719636 /nfs/dbraw/zinc/71/96/36/930719636.db2.gz UIBJSPHSUUYBJB-LLVKDONJSA-N 2 0 252.293 1.142 20 30 CDEDRP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001153727525 937464318 /nfs/dbraw/zinc/46/43/18/937464318.db2.gz CFOIZJCUVWDIDN-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001274974363 931621760 /nfs/dbraw/zinc/62/17/60/931621760.db2.gz JBVYJQWSDJNVLH-GJZGRUSLSA-N 2 0 291.439 1.485 20 30 CDEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171249000 932119811 /nfs/dbraw/zinc/11/98/11/932119811.db2.gz ZVKOXUJELGDTFX-GOEBONIOSA-N 2 0 293.455 1.615 20 30 CDEDRP C#CCCC[NH+]1CCC2(CC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001275975523 932189728 /nfs/dbraw/zinc/18/97/28/932189728.db2.gz HUYXNVXGCWFHDG-UHFFFAOYSA-N 2 0 291.439 1.276 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146701721 932278797 /nfs/dbraw/zinc/27/87/97/932278797.db2.gz OPQHOOQMRCAKNJ-HZPDHXFCSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014482292 935539046 /nfs/dbraw/zinc/53/90/46/935539046.db2.gz FLRZQGJVPTZARX-MGPQQGTHSA-N 2 0 265.401 1.093 20 30 CDEDRP C#CC[NH2+]CC(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC001121982958 937896669 /nfs/dbraw/zinc/89/66/69/937896669.db2.gz HPFUISVZZVFBHT-CQSZACIVSA-N 2 0 293.436 1.470 20 30 CDEDRP C#CC[NH2+]CC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001121997946 937897709 /nfs/dbraw/zinc/89/77/09/937897709.db2.gz LILWVEDBWVKKDU-AWEZNQCLSA-N 2 0 287.407 1.455 20 30 CDEDRP C#CC[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)CCC ZINC001156511100 938378020 /nfs/dbraw/zinc/37/80/20/938378020.db2.gz ZTWQVXFMIWICSM-CQSZACIVSA-N 2 0 267.417 1.178 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001159327459 938721884 /nfs/dbraw/zinc/72/18/84/938721884.db2.gz KZTAZFMCRQLDBJ-ZDUSSCGKSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001159327458 938721968 /nfs/dbraw/zinc/72/19/68/938721968.db2.gz KZTAZFMCRQLDBJ-CYBMUJFWSA-N 2 0 253.390 1.143 20 30 CDEDRP N#Cc1cc(C(F)(F)N[C@H]([NH3+])CCC[NH3+])cc(Cl)n1 ZINC001159785617 938752488 /nfs/dbraw/zinc/75/24/88/938752488.db2.gz QZPAKVASKOFMNT-JTQLQIEISA-N 2 0 289.717 1.269 20 30 CDEDRP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175568 938773808 /nfs/dbraw/zinc/77/38/08/938773808.db2.gz YYAQHBKRNBLGSB-GDBMZVCRSA-N 2 0 289.423 1.098 20 30 CDEDRP C#CC[N@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001161230934 938881392 /nfs/dbraw/zinc/88/13/92/938881392.db2.gz NORURSWYGHZXAG-HNNXBMFYSA-N 2 0 277.412 1.098 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001161525066 938908270 /nfs/dbraw/zinc/90/82/70/938908270.db2.gz SXVGYTULBIJWMG-UHFFFAOYSA-N 2 0 293.455 1.759 20 30 CDEDRP C[N@@H+]1CCC[C@@H](CCNc2cc[nH+]c(CC#N)c2)C1 ZINC001165289599 939541296 /nfs/dbraw/zinc/54/12/96/939541296.db2.gz GLSLDIGMWAHMQX-ZDUSSCGKSA-N 2 0 258.369 1.713 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001166736464 939632861 /nfs/dbraw/zinc/63/28/61/939632861.db2.gz MRVGXGBJXWULLW-UHFFFAOYSA-N 2 0 289.423 1.686 20 30 CDEDRP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203793695 939704615 /nfs/dbraw/zinc/70/46/15/939704615.db2.gz SUGKQRHCLCCQQM-CABCVRRESA-N 2 0 293.455 1.920 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001205469474 939891864 /nfs/dbraw/zinc/89/18/64/939891864.db2.gz HFCJQVXYEMUTBI-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001205524335 939895135 /nfs/dbraw/zinc/89/51/35/939895135.db2.gz ICIHMPKGRDSXGX-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCn1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cn1 ZINC001206004532 939966425 /nfs/dbraw/zinc/96/64/25/939966425.db2.gz SXTIOSKZSGMFBL-DZGCQCFKSA-N 2 0 262.401 1.876 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001206281186 940010850 /nfs/dbraw/zinc/01/08/50/940010850.db2.gz DRXOJPXHTVNTEE-GOEBONIOSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001208261615 940314413 /nfs/dbraw/zinc/31/44/13/940314413.db2.gz QSSGWCBILVPRJE-LSDHHAIUSA-N 2 0 299.434 1.823 20 30 CDEDRP C#CCCC[N@@H+]1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001209267023 940454941 /nfs/dbraw/zinc/45/49/41/940454941.db2.gz IDXHQAUBKXCSMH-UHFFFAOYSA-N 2 0 284.367 1.142 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209325354 940461409 /nfs/dbraw/zinc/46/14/09/940461409.db2.gz ZBDABPSPEGOTPR-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213763499 940785028 /nfs/dbraw/zinc/78/50/28/940785028.db2.gz WOXHLRNKEUYESL-HUUCEWRRSA-N 2 0 297.443 1.110 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214611054 940832871 /nfs/dbraw/zinc/83/28/71/940832871.db2.gz MQLAFTAGKVZHQB-BZUAXINKSA-N 2 0 291.439 1.319 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216839278 940968276 /nfs/dbraw/zinc/96/82/76/940968276.db2.gz PTGRIIALAMRCDS-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP CCCCCCCCNC(=O)NCCC[NH2+]CCC[NH3+] ZINC001239253121 945367331 /nfs/dbraw/zinc/36/73/31/945367331.db2.gz OKOHFYPTAMQDHW-UHFFFAOYSA-N 2 0 286.464 1.975 20 30 CDEDRP N#C[C@H]1C[NH2+]C[C@@H]1OCCCCC1CC[NH2+]CC1 ZINC001217832618 941022279 /nfs/dbraw/zinc/02/22/79/941022279.db2.gz PORBSWKTCXRWDQ-KBPBESRZSA-N 2 0 251.374 1.284 20 30 CDEDRP N#C[C@H]1CC[C@H](NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001220095344 941412302 /nfs/dbraw/zinc/41/23/02/941412302.db2.gz WGDRCDYASGJLIT-MGPQQGTHSA-N 2 0 290.411 1.059 20 30 CDEDRP CC(C)C[C@](C)(C#N)NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001221292627 941513288 /nfs/dbraw/zinc/51/32/88/941513288.db2.gz PUXLWPVHYQDHRD-DZGCQCFKSA-N 2 0 282.432 1.490 20 30 CDEDRP N#Cc1ccccc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222085742 941561725 /nfs/dbraw/zinc/56/17/25/941561725.db2.gz JIFPGIXMNWDCTM-UHFFFAOYSA-N 2 0 270.380 1.086 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001225080369 941822282 /nfs/dbraw/zinc/82/22/82/941822282.db2.gz NBFQZZFRWYSGJF-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](C)C ZINC001227038844 942119459 /nfs/dbraw/zinc/11/94/59/942119459.db2.gz NMLSRAJGGBOFLC-RBSFLKMASA-N 2 0 281.444 1.920 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001227619079 942198133 /nfs/dbraw/zinc/19/81/33/942198133.db2.gz MXAGCCDQRGWTLY-HNNXBMFYSA-N 2 0 299.434 1.823 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001227628501 942199079 /nfs/dbraw/zinc/19/90/79/942199079.db2.gz BMCLSVCWGYODHL-AWEZNQCLSA-N 2 0 285.407 1.433 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228356029 942303853 /nfs/dbraw/zinc/30/38/53/942303853.db2.gz ZAHDSQVLRBLBKX-ZIAGYGMSSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230035058 942576433 /nfs/dbraw/zinc/57/64/33/942576433.db2.gz PMCZFOBXHZMETM-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCCC[NH2+]C12CC(C(=O)NC3CC[NH+](C)CC3)(C1)C2 ZINC001277780039 943512554 /nfs/dbraw/zinc/51/25/54/943512554.db2.gz ZJJJSHXTJLASDO-UHFFFAOYSA-N 2 0 291.439 1.675 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001263109560 943750651 /nfs/dbraw/zinc/75/06/51/943750651.db2.gz AOPQFBIJQSAENX-ZNMIVQPWSA-N 2 0 279.428 1.518 20 30 CDEDRP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235356727 944134034 /nfs/dbraw/zinc/13/40/34/944134034.db2.gz YGLWSESYFONPPD-HZPDHXFCSA-N 2 0 293.455 1.826 20 30 CDEDRP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]CCCC#N)(C1)CCC2 ZINC001277942984 944146125 /nfs/dbraw/zinc/14/61/25/944146125.db2.gz ILQITUBDSRKPEZ-CVEARBPZSA-N 2 0 295.427 1.935 20 30 CDEDRP C=CCOc1cccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235999184 944366914 /nfs/dbraw/zinc/36/69/14/944366914.db2.gz YHONNJDVMUKEEG-FKEKPDDDSA-N 2 0 288.391 1.657 20 30 CDEDRP C=CCCCCCC[C@H](O)C[NH2+][C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001245980019 947874142 /nfs/dbraw/zinc/87/41/42/947874142.db2.gz YXKPPAVOUOTVOQ-XUWVNRHRSA-N 2 0 282.428 1.450 20 30 CDEDRP C=CCCCCCC[C@@H](O)C[NH2+][C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001245987307 947883400 /nfs/dbraw/zinc/88/34/00/947883400.db2.gz YXKPPAVOUOTVOQ-KLHDSHLOSA-N 2 0 282.428 1.450 20 30 CDEDRP CCCCCCCC[C@@H](O)C[NH2+]CCNCC[NH3+] ZINC001246010653 947891598 /nfs/dbraw/zinc/89/15/98/947891598.db2.gz YEDOXAPTOOIFAS-CQSZACIVSA-N 2 0 259.438 1.236 20 30 CDEDRP C=CCOC[C@@H](O)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246020631 947900043 /nfs/dbraw/zinc/90/00/43/947900043.db2.gz JAGCIWORSUYJLB-UONOGXRCSA-N 2 0 256.390 1.001 20 30 CDEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@H]1CCC[N@@H+](C)C1 ZINC001255480780 947935286 /nfs/dbraw/zinc/93/52/86/947935286.db2.gz ZRESUUUUOOPCNZ-INIZCTEOSA-N 3 0 274.412 1.748 20 30 CDEDRP CC(C)[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1cccc(C#N)c1 ZINC001246298901 948091206 /nfs/dbraw/zinc/09/12/06/948091206.db2.gz DEYFVVOFIHTANO-IAGOWNOFSA-N 2 0 298.434 1.939 20 30 CDEDRP C=C(C)C(=O)OCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256849848 948434927 /nfs/dbraw/zinc/43/49/27/948434927.db2.gz NRJPERMRUAEQIG-UHFFFAOYSA-N 2 0 289.379 1.759 20 30 CDEDRP C=CCC[C@@H](O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001252619625 951511908 /nfs/dbraw/zinc/51/19/08/951511908.db2.gz NRQKXQNNJPTREF-MRXNPFEDSA-N 2 0 275.396 1.967 20 30 CDEDRP C=C[C@H](O)C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001253586501 951976366 /nfs/dbraw/zinc/97/63/66/951976366.db2.gz NVUVLGYTCAQXFJ-KURKYZTESA-N 2 0 286.419 1.987 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC001340268157 956711035 /nfs/dbraw/zinc/71/10/35/956711035.db2.gz ZBAQAYYDZKFNKS-MELADBBJSA-N 2 0 280.416 1.292 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001318338328 958043444 /nfs/dbraw/zinc/04/34/44/958043444.db2.gz SSJFKKOENGOKHD-CHWSQXEVSA-N 2 0 253.390 1.093 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)CC[N@@H+](C)CC ZINC001448764149 967244953 /nfs/dbraw/zinc/24/49/53/967244953.db2.gz RGKSZAICDVODLT-GFCCVEGCSA-N 2 0 275.824 1.517 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001200850500 969015818 /nfs/dbraw/zinc/01/58/18/969015818.db2.gz MAFQVPRBAOAFPA-CQSZACIVSA-N 2 0 285.407 1.433 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001390710648 976448798 /nfs/dbraw/zinc/44/87/98/976448798.db2.gz GKCLMWJDUXACSK-CHWSQXEVSA-N 2 0 289.851 1.810 20 30 CDEDRP C#CCN(C[C@H]1CCCC[C@H]1C(=O)OC)C1CC[NH2+]CC1 ZINC001574667125 1170998102 /nfs/dbraw/zinc/99/81/02/1170998102.db2.gz MVTPEDMQZDHKCV-GDBMZVCRSA-N 2 0 292.423 1.653 20 30 CDEDRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H](O)CC1(C#N)CC1 ZINC001575453558 1171176733 /nfs/dbraw/zinc/17/67/33/1171176733.db2.gz RQZWEQHMFFXIDF-CHWSQXEVSA-N 2 0 253.390 1.346 20 30 CDEDRP N#C[C@H]1CC[C@H]([NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000590162581 342523698 /nfs/dbraw/zinc/52/36/98/342523698.db2.gz TVGGUMJMGBKTLM-ZFWWWQNUSA-N 2 0 256.353 1.896 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000592313346 342684261 /nfs/dbraw/zinc/68/42/61/342684261.db2.gz DSTZYIKFOPVDLM-CYBMUJFWSA-N 2 0 265.401 1.095 20 30 CDEDRP C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)C1C[NH2+]C1 ZINC000593323643 342788361 /nfs/dbraw/zinc/78/83/61/342788361.db2.gz RZYYQLXWNWCJHX-CQSZACIVSA-N 2 0 298.434 1.720 20 30 CDEDRP CCO[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000595896384 343183328 /nfs/dbraw/zinc/18/33/28/343183328.db2.gz MHOIOBOYWJMCGA-HZPDHXFCSA-N 2 0 273.380 1.396 20 30 CDEDRP N#Cc1ccc(CC[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000595896100 343183363 /nfs/dbraw/zinc/18/33/63/343183363.db2.gz ZOLPZBRREKTRHX-KRWDZBQOSA-N 2 0 299.418 1.788 20 30 CDEDRP CCN(C[C@@H](C)C#N)C(=O)CN(C)C1CC[NH+](CC)CC1 ZINC000157509445 342355165 /nfs/dbraw/zinc/35/51/65/342355165.db2.gz HTEASOFRWYSVBI-AWEZNQCLSA-N 2 0 294.443 1.411 20 30 CDEDRP C[N@H+](C[C@H](O)CC(C)(C)C#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000598618400 343843737 /nfs/dbraw/zinc/84/37/37/343843737.db2.gz XPFFCPZAXHPBDC-IZGVIRRGSA-N 2 0 279.428 1.844 20 30 CDEDRP CC(C)(C#N)C[C@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000598729764 343888045 /nfs/dbraw/zinc/88/80/45/343888045.db2.gz MXFWQQISGZULSY-GJZGRUSLSA-N 2 0 297.443 1.114 20 30 CDEDRP C[NH+](C)C1CCC([NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598726603 343885828 /nfs/dbraw/zinc/88/58/28/343885828.db2.gz UPSMPMIHWFSZHM-JXQTWKCFSA-N 2 0 267.417 1.750 20 30 CDEDRP CC(C)[C@H](C[NH2+]C[C@@H](C)CCC#N)N1CC[NH+](C)CC1 ZINC000602508373 344457790 /nfs/dbraw/zinc/45/77/90/344457790.db2.gz BIOXDOUTRMIRGV-HOTGVXAUSA-N 2 0 280.460 1.788 20 30 CDEDRP C[NH+]=C(NCCCC[NH+](C)C)NCc1ccco1 ZINC000264036153 362952606 /nfs/dbraw/zinc/95/26/06/362952606.db2.gz GPYRJYPRAYUMMU-UHFFFAOYSA-N 2 0 252.362 1.286 20 30 CDEDRP CC[NH+]1CCC(C[N@@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC001659528064 1172122903 /nfs/dbraw/zinc/12/29/03/1172122903.db2.gz SRPGSAUYAFPKOJ-AWEZNQCLSA-N 2 0 251.374 1.069 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000580309343 365986037 /nfs/dbraw/zinc/98/60/37/365986037.db2.gz RGTKBQJGRFMNHR-VXGBXAGGSA-N 2 0 268.405 1.062 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+](C)CC)CC1 ZINC000106335882 357243728 /nfs/dbraw/zinc/24/37/28/357243728.db2.gz LPTQTXARWKIJFQ-UHFFFAOYSA-N 2 0 282.432 1.278 20 30 CDEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)cc1 ZINC000185878174 357588819 /nfs/dbraw/zinc/58/88/19/357588819.db2.gz HNZQYSOULFRQPP-OAHLLOKOSA-N 2 0 286.423 1.674 20 30 CDEDRP C=CCC[C@H](CO)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000562523529 361538602 /nfs/dbraw/zinc/53/86/02/361538602.db2.gz IJZPOXNBFRZSNF-OAHLLOKOSA-N 2 0 252.402 1.778 20 30 CDEDRP C[C@H](C[NH2+]CC(C)(C)CCC#N)N1CC[NH+](C)CC1 ZINC000174353659 363959366 /nfs/dbraw/zinc/95/93/66/363959366.db2.gz LVOJVYFTNVKEEE-CQSZACIVSA-N 2 0 266.433 1.542 20 30 CDEDRP COc1ccccc1CNC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000170909011 365160129 /nfs/dbraw/zinc/16/01/29/365160129.db2.gz WGZAOABWSGAHEJ-UHFFFAOYSA-N 2 0 290.411 1.585 20 30 CDEDRP CN(C)C(=[NH2+])NCc1ccc(OCC[NH+](C)C)cc1 ZINC000170911355 365160914 /nfs/dbraw/zinc/16/09/14/365160914.db2.gz LGASZIPNPNYVRG-UHFFFAOYSA-N 2 0 264.373 1.003 20 30 CDEDRP C[C@H](CCN1CCOCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC000347774561 372330975 /nfs/dbraw/zinc/33/09/75/372330975.db2.gz JMNPZCHEPNMUBO-CYBMUJFWSA-N 2 0 291.370 1.898 20 30 CDEDRP CN(C)CC(C)(C)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000411823516 374183609 /nfs/dbraw/zinc/18/36/09/374183609.db2.gz VUENEPVNHSCPJC-UHFFFAOYSA-N 2 0 288.395 1.817 20 30 CDEDRP C=CCCOCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638811809 374984089 /nfs/dbraw/zinc/98/40/89/374984089.db2.gz JQWWEKMNLCKXQM-UHFFFAOYSA-N 2 0 270.417 1.404 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000132338853 375503345 /nfs/dbraw/zinc/50/33/45/375503345.db2.gz HSGSZCIMELVRMW-LSDHHAIUSA-N 2 0 254.418 1.977 20 30 CDEDRP C=CC[N@H+](CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000420323345 376340077 /nfs/dbraw/zinc/34/00/77/376340077.db2.gz SXBCDDKMIUEPIK-UHFFFAOYSA-N 2 0 259.397 1.580 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000264976887 190149063 /nfs/dbraw/zinc/14/90/63/190149063.db2.gz IVFFICFPWRZKJT-JKSUJKDBSA-N 2 0 293.455 1.895 20 30 CDEDRP C[NH+]=C(NCc1ccoc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000263126683 391106066 /nfs/dbraw/zinc/10/60/66/391106066.db2.gz FRYHJPNKBMCASN-OAHLLOKOSA-N 2 0 290.411 1.915 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](C)C[NH3+])C(C)C ZINC000285806907 391720791 /nfs/dbraw/zinc/72/07/91/391720791.db2.gz QYFFMOSQXPQFKJ-KBPBESRZSA-N 2 0 267.417 1.396 20 30 CDEDRP CC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000423203735 397603044 /nfs/dbraw/zinc/60/30/44/397603044.db2.gz NDFVPRYLDWUAEC-INIZCTEOSA-N 2 0 272.396 1.504 20 30 CDEDRP CN(CCC[N@H+](C)Cc1cccc(C#N)c1)CC[NH+](C)C ZINC000344028084 152394783 /nfs/dbraw/zinc/39/47/83/152394783.db2.gz MGWJRJVLVDNSEG-UHFFFAOYSA-N 2 0 288.439 1.874 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCCC1 ZINC001666804402 1173185939 /nfs/dbraw/zinc/18/59/39/1173185939.db2.gz GIVFXAJNUZEBLQ-CQSZACIVSA-N 2 0 281.444 1.777 20 30 CDEDRP C#CC[NH+]1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000490922704 261248054 /nfs/dbraw/zinc/24/80/54/261248054.db2.gz GCPFBLCXKRYWQQ-GASCZTMLSA-N 2 0 280.412 1.210 20 30 CDEDRP C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)C1=O ZINC000414756360 263039414 /nfs/dbraw/zinc/03/94/14/263039414.db2.gz QOKZRWFEEKIQMY-IHRRRGAJSA-N 2 0 265.401 1.093 20 30 CDEDRP CC[NH+](CC)[C@H](CNC1=[NH+]CCN1C)Cc1ccccc1 ZINC000285041424 263089614 /nfs/dbraw/zinc/08/96/14/263089614.db2.gz KLMMSERGKXNHTQ-INIZCTEOSA-N 2 0 288.439 1.831 20 30 CDEDRP C[NH+](C)CCOCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353597686 276792281 /nfs/dbraw/zinc/79/22/81/276792281.db2.gz QUPFOAZOZFGWLG-MRXNPFEDSA-N 2 0 273.380 1.713 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000178769132 329200160 /nfs/dbraw/zinc/20/01/60/329200160.db2.gz UNQADRPHFWHWMW-ZDUSSCGKSA-N 2 0 253.390 1.126 20 30 CDEDRP C[C@H]1C[NH+]=C(NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)N1 ZINC000262648905 330024506 /nfs/dbraw/zinc/02/45/06/330024506.db2.gz JZMNFELCVVFBKU-RYUDHWBXSA-N 2 0 252.406 1.434 20 30 CDEDRP [NH2+]=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CCOCC1 ZINC000262836024 330034841 /nfs/dbraw/zinc/03/48/41/330034841.db2.gz SKQOHODHUOONPR-HNNXBMFYSA-N 2 0 294.443 1.430 20 30 CDEDRP C=CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000262851514 330035443 /nfs/dbraw/zinc/03/54/43/330035443.db2.gz XAHQPXLBICVLNC-CQSZACIVSA-N 2 0 264.417 1.874 20 30 CDEDRP C=CCNC(NCC1([NH+]2CCSCC2)CCCC1)=[NH+]C ZINC000263259818 330050919 /nfs/dbraw/zinc/05/09/19/330050919.db2.gz SEXTWANKQYMQSL-UHFFFAOYSA-N 2 0 296.484 1.699 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000424125631 330258719 /nfs/dbraw/zinc/25/87/19/330258719.db2.gz ALDICFSKARGKKG-HNNXBMFYSA-N 2 0 292.427 1.484 20 30 CDEDRP C[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C[NH+]1CCCCC1 ZINC000424126449 330259093 /nfs/dbraw/zinc/25/90/93/330259093.db2.gz BTFRJHWZROWLET-KGLIPLIRSA-N 2 0 280.416 1.246 20 30 CDEDRP C[N@H+](CCCNC(=O)[C@@H]([NH3+])CCCC#N)C1CCCCC1 ZINC000424133862 330266442 /nfs/dbraw/zinc/26/64/42/330266442.db2.gz MVEOZKDHJFLOAF-HNNXBMFYSA-N 2 0 294.443 1.778 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000424136143 330272393 /nfs/dbraw/zinc/27/23/93/330272393.db2.gz ABSBAEZMJAMRQW-LSDHHAIUSA-N 2 0 292.427 1.484 20 30 CDEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459580239 331289173 /nfs/dbraw/zinc/28/91/73/331289173.db2.gz OPBJGWYJKGDWSK-CVEARBPZSA-N 2 0 273.380 1.984 20 30 CDEDRP C=CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CCOC ZINC000192846628 333239792 /nfs/dbraw/zinc/23/97/92/333239792.db2.gz UDOOCUNKMRXSES-UHFFFAOYSA-N 2 0 283.460 1.537 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001168667294 1161431872 /nfs/dbraw/zinc/43/18/72/1161431872.db2.gz RZCFQZZHAOHDFD-AWEZNQCLSA-N 2 0 267.417 1.082 20 30 CDEDRP CCOCCC[N@@H+]1CCC(=[NH+]n2cnnc2)[C@@H](C)C1 ZINC000735224182 575438748 /nfs/dbraw/zinc/43/87/48/575438748.db2.gz PCOPGODMIAMTFB-LBPRGKRZSA-N 2 0 265.361 1.251 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000764423016 575906302 /nfs/dbraw/zinc/90/63/02/575906302.db2.gz HKWBTQDKTIHEJT-UHFFFAOYSA-N 2 0 267.417 1.437 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000764437295 575907102 /nfs/dbraw/zinc/90/71/02/575907102.db2.gz KKCZIJGFKCBRPJ-UMVBOHGHSA-N 2 0 281.444 1.587 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000763987741 576771369 /nfs/dbraw/zinc/77/13/69/576771369.db2.gz OGQNEIYUIFEKGQ-MRXNPFEDSA-N 2 0 287.407 1.495 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000764214605 576786186 /nfs/dbraw/zinc/78/61/86/576786186.db2.gz CXHBVPKPPDVMHK-UHFFFAOYSA-N 2 0 275.396 1.482 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000969157029 612966193 /nfs/dbraw/zinc/96/61/93/612966193.db2.gz NVHASXJKCKEFGU-CYBMUJFWSA-N 2 0 282.347 1.080 20 30 CDEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000970050973 612996024 /nfs/dbraw/zinc/99/60/24/612996024.db2.gz POSVHWBAMSEGPI-AWEZNQCLSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000947685309 613026189 /nfs/dbraw/zinc/02/61/89/613026189.db2.gz MQUWIRYEFZBLJS-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000947723123 613225594 /nfs/dbraw/zinc/22/55/94/613225594.db2.gz RCYKHGDMYKRHEZ-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000972610961 613283740 /nfs/dbraw/zinc/28/37/40/613283740.db2.gz XVXYIWYIUDVKLX-MRXNPFEDSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1C[NH+](C)C ZINC000962772287 613320393 /nfs/dbraw/zinc/32/03/93/613320393.db2.gz IJLNIDNCMNWVIO-FVQHAEBGSA-N 2 0 297.402 1.041 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000947685251 613334874 /nfs/dbraw/zinc/33/48/74/613334874.db2.gz LZOXVKGIDFWEMJ-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974605722 613341806 /nfs/dbraw/zinc/34/18/06/613341806.db2.gz NHZISYHTVZLOAM-KFWWJZLASA-N 2 0 293.455 1.729 20 30 CDEDRP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000971795489 613368659 /nfs/dbraw/zinc/36/86/59/613368659.db2.gz SEJTZOMPDWVAPB-ZIAGYGMSSA-N 2 0 299.846 1.756 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000972610886 613612105 /nfs/dbraw/zinc/61/21/05/613612105.db2.gz WALCGHBJIWTHMZ-OAHLLOKOSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000981666417 613679347 /nfs/dbraw/zinc/67/93/47/613679347.db2.gz RUECSOICLFWMFK-AWEZNQCLSA-N 2 0 277.412 1.191 20 30 CDEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000959877293 613837156 /nfs/dbraw/zinc/83/71/56/613837156.db2.gz SUKRKDAYGSOSBO-FICVDOATSA-N 2 0 291.439 1.483 20 30 CDEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC000960287404 613837766 /nfs/dbraw/zinc/83/77/66/613837766.db2.gz HBECFSZZWANQDK-LJIGWXMPSA-N 2 0 291.439 1.482 20 30 CDEDRP C=CCNC(=[NH2+])NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000849006691 617631207 /nfs/dbraw/zinc/63/12/07/617631207.db2.gz ZWBJXHDKZKDGCA-UHFFFAOYSA-N 2 0 268.405 1.176 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000104167680 617985141 /nfs/dbraw/zinc/98/51/41/617985141.db2.gz LZKFERLMHRIEBQ-JSGCOSHPSA-N 2 0 284.448 1.436 20 30 CDEDRP COc1ccc(NC(=[NH2+])NCC[N@H+](C)C(C)C)cc1OC ZINC000104191690 618104761 /nfs/dbraw/zinc/10/47/61/618104761.db2.gz MVFVNGAVYCFBPP-UHFFFAOYSA-N 2 0 294.399 1.771 20 30 CDEDRP C[C@@H](CCC#N)C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000894378058 618834686 /nfs/dbraw/zinc/83/46/86/618834686.db2.gz LCERAHLKYBIKAZ-HNNXBMFYSA-N 2 0 266.433 1.543 20 30 CDEDRP C=CC1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903728656 626066583 /nfs/dbraw/zinc/06/65/83/626066583.db2.gz DCKZHCIZXFQAFS-LSDHHAIUSA-N 2 0 250.386 1.653 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000906594336 627344106 /nfs/dbraw/zinc/34/41/06/627344106.db2.gz YCEFYIGRQFPNRP-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000908436640 628199571 /nfs/dbraw/zinc/19/95/71/628199571.db2.gz GUVGTRKFIWQADS-UHFFFAOYSA-N 2 0 279.428 1.322 20 30 CDEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1ccnc1 ZINC001752157402 1159456493 /nfs/dbraw/zinc/45/64/93/1159456493.db2.gz PTGCZBFBWOONCL-GJZGRUSLSA-N 2 0 288.395 1.266 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001086370648 1161973715 /nfs/dbraw/zinc/97/37/15/1161973715.db2.gz RGXRUVWJBRGCLK-ZQDZILKHSA-N 2 0 279.428 1.387 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001086368121 1161974882 /nfs/dbraw/zinc/97/48/82/1161974882.db2.gz SINQYGLIRZGMKB-BPUTZDHNSA-N 2 0 291.439 1.389 20 30 CDEDRP C=CC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132265802 1163218872 /nfs/dbraw/zinc/21/88/72/1163218872.db2.gz SZTVWRASALJEGI-UONOGXRCSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001133311051 1163629935 /nfs/dbraw/zinc/62/99/35/1163629935.db2.gz VESWQZSZFPBXCM-GJZGRUSLSA-N 2 0 279.428 1.342 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001133345939 1163648092 /nfs/dbraw/zinc/64/80/92/1163648092.db2.gz IITZCZJDWZICRK-HOTGVXAUSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135706099 1164169781 /nfs/dbraw/zinc/16/97/81/1164169781.db2.gz OXCPGBJPLQXHIR-KBPBESRZSA-N 2 0 269.433 1.777 20 30 CDEDRP COC(=O)[C@H]1C[N@H+](CC2CCC(C#N)CC2)CC12C[NH2+]C2 ZINC001578795854 1172009890 /nfs/dbraw/zinc/00/98/90/1172009890.db2.gz DRDPWFGEZIRKOH-JXQTWKCFSA-N 2 0 291.395 1.011 20 30 CDEDRP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001734304283 1183721857 /nfs/dbraw/zinc/72/18/57/1183721857.db2.gz GMDCVEULZYXOHH-HZPDHXFCSA-N 2 0 293.455 1.423 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001752587960 1184879887 /nfs/dbraw/zinc/87/98/87/1184879887.db2.gz TVAYLVGMJGVFEJ-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001753159719 1185092349 /nfs/dbraw/zinc/09/23/49/1185092349.db2.gz AHBHTRNXKRDURT-CYBMUJFWSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001753468423 1185223142 /nfs/dbraw/zinc/22/31/42/1185223142.db2.gz GYWGXHXJBVPKNM-KGLIPLIRSA-N 2 0 267.417 1.531 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001753707659 1185309827 /nfs/dbraw/zinc/30/98/27/1185309827.db2.gz PMZRZDORKFKUAB-CQSZACIVSA-N 2 0 281.444 1.873 20 30 CDEDRP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001753717258 1185314302 /nfs/dbraw/zinc/31/43/02/1185314302.db2.gz LRMHBIJKQYJBAA-OAHLLOKOSA-N 2 0 293.455 1.567 20 30 CDEDRP C=C(C)C[N@@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001753862871 1185369881 /nfs/dbraw/zinc/36/98/81/1185369881.db2.gz TZKJEUYKIPMQDR-UHFFFAOYSA-N 2 0 267.417 1.295 20 30 CDEDRP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001753953174 1185407282 /nfs/dbraw/zinc/40/72/82/1185407282.db2.gz JMMGHIFPCXHONY-STQMWFEESA-N 2 0 253.390 1.141 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001754821401 1185740589 /nfs/dbraw/zinc/74/05/89/1185740589.db2.gz QRMBLSKSTAUSBO-GJZGRUSLSA-N 2 0 291.439 1.036 20 30 CDEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001754846849 1185745311 /nfs/dbraw/zinc/74/53/11/1185745311.db2.gz XHWVCIRTCITOTP-IYBDPMFKSA-N 2 0 291.439 1.132 20 30 CDEDRP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001754918649 1185763251 /nfs/dbraw/zinc/76/32/51/1185763251.db2.gz HQZITUWUDXUXIR-GJZGRUSLSA-N 2 0 279.428 1.034 20 30 CDEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001755079684 1185807614 /nfs/dbraw/zinc/80/76/14/1185807614.db2.gz ORQMRJVQTCHXQT-QGZVFWFLSA-N 2 0 291.439 1.276 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001755205850 1185852195 /nfs/dbraw/zinc/85/21/95/1185852195.db2.gz ZJRMOLILMIJDLG-HZPDHXFCSA-N 2 0 293.455 1.685 20 30 CDEDRP C=CC[NH+]1CCCCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001755368115 1185930375 /nfs/dbraw/zinc/93/03/75/1185930375.db2.gz NGYDQFOJRZWTOZ-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001755391341 1185939726 /nfs/dbraw/zinc/93/97/26/1185939726.db2.gz JENOXHRIZAUGRT-HNNXBMFYSA-N 2 0 291.439 1.322 20 30 CDEDRP CC#CC[NH2+][C@H](C)CN(C)C(=O)CCCC[NH+](C)C ZINC001755615314 1186012680 /nfs/dbraw/zinc/01/26/80/1186012680.db2.gz WRWQAZCSURTCLY-CQSZACIVSA-N 2 0 267.417 1.178 20 30 CDEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@H]21 ZINC001755712920 1186043755 /nfs/dbraw/zinc/04/37/55/1186043755.db2.gz RVJAFPAFHKDBTO-BZUAXINKSA-N 2 0 291.439 1.178 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001755734755 1186052650 /nfs/dbraw/zinc/05/26/50/1186052650.db2.gz DWBNWQSLSSVPJD-CABCVRRESA-N 2 0 291.439 1.369 20 30 CDEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001755857591 1186092608 /nfs/dbraw/zinc/09/26/08/1186092608.db2.gz UEAQDLRXMQVWTB-NRXISQOPSA-N 2 0 281.444 1.728 20 30 CDEDRP C#CC[NH2+]CC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388691817 1187258891 /nfs/dbraw/zinc/25/88/91/1187258891.db2.gz WQHRAMSOPCKGBX-QGZVFWFLSA-N 2 0 299.418 1.332 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133846178 1163930817 /nfs/dbraw/zinc/93/08/17/1163930817.db2.gz VLJKSHYBZVDXJZ-KBPBESRZSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CC[NH2+]CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133849604 1163933533 /nfs/dbraw/zinc/93/35/33/1163933533.db2.gz AKTZBBBUCMYZEP-CQSZACIVSA-N 2 0 271.380 1.091 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133893305 1163952023 /nfs/dbraw/zinc/95/20/23/1163952023.db2.gz BRKAGWLOTFDASS-UHFFFAOYSA-N 2 0 253.390 1.000 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015998161 726079373 /nfs/dbraw/zinc/07/93/73/726079373.db2.gz MCZCUAXUVSLKPS-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP CC(C)[NH+](CCNC(=[NH2+])N1CCSCC1)C(C)C ZINC000303712646 726354940 /nfs/dbraw/zinc/35/49/40/726354940.db2.gz QAPGOHDCTIHJAW-UHFFFAOYSA-N 2 0 272.462 1.469 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000989112149 726010196 /nfs/dbraw/zinc/01/01/96/726010196.db2.gz OAUAFRAYNLSFCV-OCCSQVGLSA-N 2 0 282.347 1.160 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001023446583 726012336 /nfs/dbraw/zinc/01/23/36/726012336.db2.gz SNEPFOYYQBAVRC-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CC ZINC001037925878 726012796 /nfs/dbraw/zinc/01/27/96/726012796.db2.gz OSBWYZVWSOATDB-HOCLYGCPSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033361066 726020976 /nfs/dbraw/zinc/02/09/76/726020976.db2.gz LCRYAVUENLCYEZ-KKUMJFAQSA-N 2 0 279.428 1.435 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001002146277 726044229 /nfs/dbraw/zinc/04/42/29/726044229.db2.gz ZBWUFPMWPDZABO-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000303896208 726053947 /nfs/dbraw/zinc/05/39/47/726053947.db2.gz PVEQIJYYJYEUCZ-AVGNSLFASA-N 2 0 270.421 1.189 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015388682 726087744 /nfs/dbraw/zinc/08/77/44/726087744.db2.gz RYTCTYFUMQACBN-HOTGVXAUSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049726053 726101916 /nfs/dbraw/zinc/10/19/16/726101916.db2.gz BMHHUNCGVLSYHV-XHSDSOJGSA-N 2 0 291.439 1.415 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001036299749 726104117 /nfs/dbraw/zinc/10/41/17/726104117.db2.gz RSWGZPFFSAPYJD-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C[NH+]=C(NCC1([NH+](C)C)CCCCCC1)NC1CC1 ZINC000848982276 726150536 /nfs/dbraw/zinc/15/05/36/726150536.db2.gz XORWEQKQGFOYLZ-UHFFFAOYSA-N 2 0 266.433 1.968 20 30 CDEDRP C=C(Cl)CN1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001004147551 726154816 /nfs/dbraw/zinc/15/48/16/726154816.db2.gz KGVSVPJMHZRESH-UHFFFAOYSA-N 2 0 285.819 1.415 20 30 CDEDRP C=C(C)CN1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001038445937 726155655 /nfs/dbraw/zinc/15/56/55/726155655.db2.gz WMPKDILVDNAWAK-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000987354914 726159466 /nfs/dbraw/zinc/15/94/66/726159466.db2.gz GDXBWTQKRLLAHM-KBPBESRZSA-N 2 0 277.412 1.237 20 30 CDEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001072832430 726174417 /nfs/dbraw/zinc/17/44/17/726174417.db2.gz JHSKWDAJCPAPKQ-HNNXBMFYSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001050456626 726194925 /nfs/dbraw/zinc/19/49/25/726194925.db2.gz OACRGGBZANEDNM-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001026516078 726205234 /nfs/dbraw/zinc/20/52/34/726205234.db2.gz SCIXHADOACCMMS-NRXISQOPSA-N 2 0 279.428 1.674 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001020149909 726238307 /nfs/dbraw/zinc/23/83/07/726238307.db2.gz GYMLJQNWPDLDQW-KLHDSHLOSA-N 2 0 291.439 1.674 20 30 CDEDRP C[C@H]1CCCN(C(=[NH2+])NCCC[NH+]2CCCC2)C1 ZINC000303782813 726248762 /nfs/dbraw/zinc/24/87/62/726248762.db2.gz NQIHUWIHCANBPK-ZDUSSCGKSA-N 2 0 252.406 1.519 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000813866221 726252468 /nfs/dbraw/zinc/25/24/68/726252468.db2.gz MWSQYIHGJNGOAP-OAHLLOKOSA-N 2 0 289.423 1.741 20 30 CDEDRP C[C@H](CCC#N)C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000877022144 726255324 /nfs/dbraw/zinc/25/53/24/726255324.db2.gz IBAFMQWAYCOEHP-HZSPNIEDSA-N 2 0 251.374 1.379 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001022720802 726338678 /nfs/dbraw/zinc/33/86/78/726338678.db2.gz STNRVBHVSWWEOH-FOUMNBMASA-N 2 0 285.819 1.173 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001028662533 726355204 /nfs/dbraw/zinc/35/52/04/726355204.db2.gz ZCCRANXXZADKFO-AWEZNQCLSA-N 2 0 298.390 1.962 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001006183209 726393337 /nfs/dbraw/zinc/39/33/37/726393337.db2.gz HQSXXHMLANNLSH-UHFFFAOYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001044745788 726408591 /nfs/dbraw/zinc/40/85/91/726408591.db2.gz ZUZIZURRKXHROU-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001027610200 726840990 /nfs/dbraw/zinc/84/09/90/726840990.db2.gz JSFUQNXEBSVFAJ-UKRRQHHQSA-N 2 0 290.411 1.697 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001075042501 726867369 /nfs/dbraw/zinc/86/73/69/726867369.db2.gz VCBZOFBNVKXDMK-ZNMIVQPWSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001054240207 726883434 /nfs/dbraw/zinc/88/34/34/726883434.db2.gz PIAZVBYQGCSFAP-KRWDZBQOSA-N 2 0 289.423 1.030 20 30 CDEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001048875540 726918400 /nfs/dbraw/zinc/91/84/00/726918400.db2.gz BOLUOQRHIWFRLI-XHSDSOJGSA-N 2 0 293.455 1.539 20 30 CDEDRP C#CCC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001034395372 726936612 /nfs/dbraw/zinc/93/66/12/726936612.db2.gz XFYLBKJPYCFMAG-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[C@H](O)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132544 726991669 /nfs/dbraw/zinc/99/16/69/726991669.db2.gz IBYHBPCQGVOJEO-HOCLYGCPSA-N 2 0 275.396 1.919 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001003627146 727035923 /nfs/dbraw/zinc/03/59/23/727035923.db2.gz DGDJILAYBFSEFF-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000999310348 727180572 /nfs/dbraw/zinc/18/05/72/727180572.db2.gz XITXBGNONCHOHK-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001005407196 727194412 /nfs/dbraw/zinc/19/44/12/727194412.db2.gz NJDIOVIXBYWBCN-GDBMZVCRSA-N 2 0 291.439 1.273 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3[nH]cnc3C)C[C@H]21 ZINC001042325267 727220503 /nfs/dbraw/zinc/22/05/03/727220503.db2.gz DOLMCJUJXITRGA-UKRRQHHQSA-N 2 0 288.395 1.369 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@@H]1C ZINC001036193091 727248253 /nfs/dbraw/zinc/24/82/53/727248253.db2.gz KLRAGGHJSOUUGI-JSGCOSHPSA-N 2 0 276.384 1.355 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000988962130 727257295 /nfs/dbraw/zinc/25/72/95/727257295.db2.gz QHBYLVMEFZFQRU-STQMWFEESA-N 2 0 299.846 1.802 20 30 CDEDRP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001038626520 727279193 /nfs/dbraw/zinc/27/91/93/727279193.db2.gz VBQVBJORNPTCIL-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001054748997 727292516 /nfs/dbraw/zinc/29/25/16/727292516.db2.gz OQGSMYYVDQQUBY-RISCZKNCSA-N 2 0 299.846 1.660 20 30 CDEDRP C=CCC[N@H+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001072811772 727336077 /nfs/dbraw/zinc/33/60/77/727336077.db2.gz GKWLZXLZJRADLM-UHFFFAOYSA-N 2 0 291.439 1.581 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCC[NH+]1CC ZINC000304764821 727364462 /nfs/dbraw/zinc/36/44/62/727364462.db2.gz YMRYUZROAUUPMV-HUUCEWRRSA-N 3 0 295.475 1.249 20 30 CDEDRP C[C@@H]1C[NH+](CCCNC(=[NH2+])NC(C)(C)C)C[C@@H](C)O1 ZINC000303788132 727383911 /nfs/dbraw/zinc/38/39/11/727383911.db2.gz TYDGVGICROEJKA-VXGBXAGGSA-N 2 0 270.421 1.189 20 30 CDEDRP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001023554821 727431504 /nfs/dbraw/zinc/43/15/04/727431504.db2.gz QKKGVWDATLGQFH-XHSDSOJGSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998722634 727461106 /nfs/dbraw/zinc/46/11/06/727461106.db2.gz PDTTYQZCKVPEGW-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001014936898 727798194 /nfs/dbraw/zinc/79/81/94/727798194.db2.gz GMMWCUSIQNIVQF-GFCCVEGCSA-N 2 0 270.336 1.553 20 30 CDEDRP C[C@@H]1CCCN(C(=[NH2+])NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000104159765 727849753 /nfs/dbraw/zinc/84/97/53/727849753.db2.gz LUAJOYHCSMHPCN-RBSFLKMASA-N 2 0 296.459 1.532 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001028552684 727891456 /nfs/dbraw/zinc/89/14/56/727891456.db2.gz ROKBATKSVKAYEL-HRCADAONSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000997370236 728010892 /nfs/dbraw/zinc/01/08/92/728010892.db2.gz WYENTSUBPXKXRB-MRXNPFEDSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001000701510 728075829 /nfs/dbraw/zinc/07/58/29/728075829.db2.gz JURYXYSXVBOZBT-GDBMZVCRSA-N 2 0 291.439 1.651 20 30 CDEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992506732 728098009 /nfs/dbraw/zinc/09/80/09/728098009.db2.gz UHGTXEMAYOZPRP-YQQAZPJKSA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001032611801 728124535 /nfs/dbraw/zinc/12/45/35/728124535.db2.gz PQOVHIVRXUHALF-HRCADAONSA-N 2 0 293.455 1.824 20 30 CDEDRP C=CCN1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001007323342 728127057 /nfs/dbraw/zinc/12/70/57/728127057.db2.gz CBSXNMZTPIFLEE-LSDHHAIUSA-N 2 0 279.428 1.626 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)N1 ZINC000848988195 728192746 /nfs/dbraw/zinc/19/27/46/728192746.db2.gz LAOFBATZOCGQHJ-FRRDWIJNSA-N 2 0 252.406 1.292 20 30 CDEDRP C#CC[C@H](CO)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000883124556 728198155 /nfs/dbraw/zinc/19/81/55/728198155.db2.gz KAXWKAHKJMDLCL-CQSZACIVSA-N 2 0 270.336 1.050 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CC1(C)C ZINC000995952668 728208589 /nfs/dbraw/zinc/20/85/89/728208589.db2.gz RUFHBCOHDZRKAY-ZIAGYGMSSA-N 2 0 281.444 1.729 20 30 CDEDRP C[NH+]=C(NCC[N@@H+]1CCCC(C)(C)C1)NC1CC1 ZINC000849022998 728243962 /nfs/dbraw/zinc/24/39/62/728243962.db2.gz CWVHHCGRKAUACA-UHFFFAOYSA-N 2 0 252.406 1.436 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001020938440 728257403 /nfs/dbraw/zinc/25/74/03/728257403.db2.gz NAYWMWUWCXLCHJ-HAQNSBGRSA-N 2 0 274.368 1.184 20 30 CDEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001026148636 728283889 /nfs/dbraw/zinc/28/38/89/728283889.db2.gz VSCVEDIKTWQANJ-LRDNVRMFSA-N 2 0 277.412 1.092 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001020213964 728293577 /nfs/dbraw/zinc/29/35/77/728293577.db2.gz BTPDQZITEJBCEU-MGPQQGTHSA-N 2 0 299.846 1.850 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001074769529 728300368 /nfs/dbraw/zinc/30/03/68/728300368.db2.gz HHVFRPCUEDVCLR-CWRNSKLLSA-N 2 0 289.423 1.073 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014729569 728320307 /nfs/dbraw/zinc/32/03/07/728320307.db2.gz SFMOJMOZVWKTRG-LSDHHAIUSA-N 2 0 279.428 1.626 20 30 CDEDRP CCCCNC(=[NH2+])NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000104181336 728344100 /nfs/dbraw/zinc/34/41/00/728344100.db2.gz ILYIQUIMGPLEDT-ZDUSSCGKSA-N 2 0 254.422 1.811 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1c(C2CC2)cnn1C ZINC000883131365 728350539 /nfs/dbraw/zinc/35/05/39/728350539.db2.gz YNTYMOMTIWOCNV-UHFFFAOYSA-N 2 0 260.385 1.342 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001752955913 1167077213 /nfs/dbraw/zinc/07/72/13/1167077213.db2.gz LSECYDUBWWYVKK-INIZCTEOSA-N 2 0 291.439 1.180 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106111054 912842927 /nfs/dbraw/zinc/84/29/27/912842927.db2.gz DDGGZZWYFDZYPJ-BZUAXINKSA-N 2 0 291.439 1.177 20 30 CDEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206927814 894942694 /nfs/dbraw/zinc/94/26/94/894942694.db2.gz RMZIGXZNJAPPFW-CQSZACIVSA-N 2 0 299.846 1.519 20 30 CDEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)COCC[NH+](C)C ZINC001176156351 913987964 /nfs/dbraw/zinc/98/79/64/913987964.db2.gz HZUGUNLOYHNYOK-HNNXBMFYSA-N 2 0 299.459 1.405 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167655358 897212895 /nfs/dbraw/zinc/21/28/95/897212895.db2.gz NWGSYPSECGXMQS-UHFFFAOYSA-N 2 0 253.390 1.000 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001354130813 900347685 /nfs/dbraw/zinc/34/76/85/900347685.db2.gz FOQOXYSWQDOKSQ-ZDUSSCGKSA-N 2 0 279.388 1.067 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001100890286 901053380 /nfs/dbraw/zinc/05/33/80/901053380.db2.gz UMRPLSVIOXYSET-UHFFFAOYSA-N 2 0 267.417 1.389 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028932488 904435008 /nfs/dbraw/zinc/43/50/08/904435008.db2.gz IYMCYAKKJPHURB-HNNXBMFYSA-N 2 0 291.439 1.487 20 30 CDEDRP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1CC ZINC001087523076 905376796 /nfs/dbraw/zinc/37/67/96/905376796.db2.gz IOZLUGSXFZRBHM-RRFJBIMHSA-N 2 0 277.412 1.073 20 30 CDEDRP C[C@H]1C[NH+]=C(NCCCC[NH+]2CCC(C)CC2)N1 ZINC000848989228 906558288 /nfs/dbraw/zinc/55/82/88/906558288.db2.gz HIDWWPBQQCWGPK-ZDUSSCGKSA-N 2 0 252.406 1.436 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC000987572345 907743269 /nfs/dbraw/zinc/74/32/69/907743269.db2.gz UFCSSBPQJUETQL-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001094380653 910589947 /nfs/dbraw/zinc/58/99/47/910589947.db2.gz WEABARLOEZNAOP-BFYDXBDKSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110157372 910600385 /nfs/dbraw/zinc/60/03/85/910600385.db2.gz QWMZMXQLGIFZAA-ILXRZTDVSA-N 2 0 279.428 1.624 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001205462455 921621679 /nfs/dbraw/zinc/62/16/79/921621679.db2.gz YVYJQJRNQMVNPV-INIZCTEOSA-N 2 0 293.455 1.731 20 30 CDEDRP C[C@H](Cc1ccc(C#N)cc1)NC(=[NH2+])SCC[NH3+] ZINC001172302002 911543657 /nfs/dbraw/zinc/54/36/57/911543657.db2.gz BVRMDCNJFVLAEJ-SNVBAGLBSA-N 2 0 262.382 1.706 20 30 CDEDRP C[C@H](CCCC#N)[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001172503283 911738525 /nfs/dbraw/zinc/73/85/25/911738525.db2.gz YMYDQEYNPBNTDV-CQSZACIVSA-N 2 0 252.406 1.248 20 30 CDEDRP C#CCN1CC[NH+](C2CCC([NH+](CC)CC)CC2)CC1 ZINC001173112955 912171677 /nfs/dbraw/zinc/17/16/77/912171677.db2.gz FNVFIWVJRWQDMZ-UHFFFAOYSA-N 2 0 277.456 1.890 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001179976555 916098207 /nfs/dbraw/zinc/09/82/07/916098207.db2.gz SSAZBQHQPCRUMA-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984401 917627374 /nfs/dbraw/zinc/62/73/74/917627374.db2.gz MBFBOBUBDXTFNV-TZMCWYRMSA-N 2 0 299.846 1.519 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)NCCCCC[NH+](C)C ZINC001183080047 918275531 /nfs/dbraw/zinc/27/55/31/918275531.db2.gz MFXIIARNBUUNNO-UHFFFAOYSA-N 2 0 267.417 1.487 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001000690004 936538009 /nfs/dbraw/zinc/53/80/09/936538009.db2.gz QUMZUSLGGCLLGU-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP N#Cc1cccc(CCC[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205208523 918889957 /nfs/dbraw/zinc/88/99/57/918889957.db2.gz CTRDCVYYZRDXDA-QGZVFWFLSA-N 2 0 287.407 1.667 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001185052414 919379777 /nfs/dbraw/zinc/37/97/77/919379777.db2.gz MZNAYHIWRJDHIP-GJZGRUSLSA-N 2 0 291.439 1.036 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001185447019 919630231 /nfs/dbraw/zinc/63/02/31/919630231.db2.gz PZDYFZJCJUGDBR-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001185551503 919653214 /nfs/dbraw/zinc/65/32/14/919653214.db2.gz ZWNMJHXDQILEOS-HOTGVXAUSA-N 2 0 293.455 1.426 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001185601161 919677248 /nfs/dbraw/zinc/67/72/48/919677248.db2.gz YPBBFLTYNOPKGD-CABCVRRESA-N 2 0 279.428 1.321 20 30 CDEDRP C=CCn1cc(C[NH+]2CCC(C[NH+](C)C)CC2)cn1 ZINC001139770443 936645597 /nfs/dbraw/zinc/64/55/97/936645597.db2.gz NIZFSXJRYTZAGX-UHFFFAOYSA-N 2 0 262.401 1.843 20 30 CDEDRP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001034216212 922545211 /nfs/dbraw/zinc/54/52/11/922545211.db2.gz FSJBYFFIAQZICI-HRCADAONSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001099027699 936775476 /nfs/dbraw/zinc/77/54/76/936775476.db2.gz QBCOMKHSHOEBRC-VYDXJSESSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CC[N@@H+](C)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140971363 936785453 /nfs/dbraw/zinc/78/54/53/936785453.db2.gz SCRSHPOKYCHRJA-UHFFFAOYSA-N 2 0 257.381 1.503 20 30 CDEDRP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001035254189 922948508 /nfs/dbraw/zinc/94/85/08/922948508.db2.gz BXKCMCQRYIPCAH-UHFFFAOYSA-N 2 0 291.439 1.583 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001192318126 923006826 /nfs/dbraw/zinc/00/68/26/923006826.db2.gz WJKQRMYSOGFLLV-LSDHHAIUSA-N 2 0 279.428 1.273 20 30 CDEDRP C=CCCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001192353850 923027744 /nfs/dbraw/zinc/02/77/44/923027744.db2.gz INFZAIMHPODGBA-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203102679 936829118 /nfs/dbraw/zinc/82/91/18/936829118.db2.gz IWKYDIOWRPFOSR-ZIAGYGMSSA-N 2 0 293.455 1.920 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193489431 923724636 /nfs/dbraw/zinc/72/46/36/923724636.db2.gz WOJPBBNUZZHHQJ-OAHLLOKOSA-N 2 0 297.443 1.064 20 30 CDEDRP CC#CC[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001193610198 923803400 /nfs/dbraw/zinc/80/34/00/923803400.db2.gz NOQQWTJJCPHHPF-OAHLLOKOSA-N 2 0 279.428 1.274 20 30 CDEDRP C=CCOc1ccccc1C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205673947 924345794 /nfs/dbraw/zinc/34/57/94/924345794.db2.gz WJUQDYVMQQNTBL-QGZVFWFLSA-N 2 0 290.407 1.927 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001080667532 924620437 /nfs/dbraw/zinc/62/04/37/924620437.db2.gz IQBWWHACIKWQLZ-HZPDHXFCSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084662549 925330449 /nfs/dbraw/zinc/33/04/49/925330449.db2.gz OJPXGAPKGOPXTF-BZUAXINKSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001085149379 925690236 /nfs/dbraw/zinc/69/02/36/925690236.db2.gz PLVVUYNTKOXTRF-MGPQQGTHSA-N 2 0 299.846 1.850 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102071660 937040986 /nfs/dbraw/zinc/04/09/86/937040986.db2.gz QNWJCAYTDKGPKU-OAGGEKHMSA-N 2 0 293.455 1.280 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102050740 937039577 /nfs/dbraw/zinc/03/95/77/937039577.db2.gz HAQMPOZQKRMDFC-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001085606532 926206873 /nfs/dbraw/zinc/20/68/73/926206873.db2.gz PYQCLYZQGFSVFC-HRCADAONSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCCO1 ZINC001201801127 926406410 /nfs/dbraw/zinc/40/64/10/926406410.db2.gz SLODNZXBNQDMBQ-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CCCO1 ZINC001201908990 926429447 /nfs/dbraw/zinc/42/94/47/926429447.db2.gz SXMJHYTZKINFGO-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001490701360 927310484 /nfs/dbraw/zinc/31/04/84/927310484.db2.gz QRYFCGDKPCVUPR-CQSZACIVSA-N 2 0 299.846 1.565 20 30 CDEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001568468614 1169301836 /nfs/dbraw/zinc/30/18/36/1169301836.db2.gz LANJZQIDSBOXSM-HUUCEWRRSA-N 2 0 283.460 1.879 20 30 CDEDRP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001108821557 928661500 /nfs/dbraw/zinc/66/15/00/928661500.db2.gz OOQNMWUVODVPAF-JYJNAYRXSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583438 929797571 /nfs/dbraw/zinc/79/75/71/929797571.db2.gz KJTJPHCJPZKYPN-UONOGXRCSA-N 2 0 281.444 1.920 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135080952 930041727 /nfs/dbraw/zinc/04/17/27/930041727.db2.gz DTWTWNIUQGZSNM-HUUCEWRRSA-N 2 0 293.455 1.757 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299037 930135958 /nfs/dbraw/zinc/13/59/58/930135958.db2.gz SMWVWUZAPQLWMN-UONOGXRCSA-N 2 0 279.428 1.224 20 30 CDEDRP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135314760 930150307 /nfs/dbraw/zinc/15/03/07/930150307.db2.gz GSDHTWFWKNYTDT-GJZGRUSLSA-N 2 0 299.459 1.404 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCCCC1 ZINC001115574666 937396093 /nfs/dbraw/zinc/39/60/93/937396093.db2.gz JZBMYSQGTATYRT-UHFFFAOYSA-N 2 0 291.439 1.513 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959924 930577096 /nfs/dbraw/zinc/57/70/96/930577096.db2.gz VZPPEDLVLYAUNV-AWEZNQCLSA-N 2 0 297.443 1.158 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135976781 930587629 /nfs/dbraw/zinc/58/76/29/930587629.db2.gz NQADSGCXBHFJFK-STQMWFEESA-N 2 0 255.406 1.387 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135995675 930593789 /nfs/dbraw/zinc/59/37/89/930593789.db2.gz JGOMVESJBARAFY-GJZGRUSLSA-N 2 0 281.444 1.615 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1[nH]cnc1C ZINC001136036871 930615006 /nfs/dbraw/zinc/61/50/06/930615006.db2.gz ZKEFXBUFJSSRIM-RYUDHWBXSA-N 2 0 278.400 1.710 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001090956733 931629965 /nfs/dbraw/zinc/62/99/65/931629965.db2.gz HYSMIYJKVHHKBV-JXQTWKCFSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001091026052 931732463 /nfs/dbraw/zinc/73/24/63/931732463.db2.gz FXBUIVHSQPMDFH-NRXISQOPSA-N 2 0 279.428 1.530 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171228833 932048764 /nfs/dbraw/zinc/04/87/64/932048764.db2.gz VEZMXVCNPMFHGO-ZDUSSCGKSA-N 2 0 253.390 1.000 20 30 CDEDRP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146340097 932241754 /nfs/dbraw/zinc/24/17/54/932241754.db2.gz OAJSECOZZBPLNA-HUUCEWRRSA-N 2 0 281.444 1.921 20 30 CDEDRP C#Cc1cccc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)c1 ZINC001276097622 932522922 /nfs/dbraw/zinc/52/29/22/932522922.db2.gz YFVHUHASZCKOJR-UHFFFAOYSA-N 2 0 283.419 1.347 20 30 CDEDRP C=CC[N@H+]1CCC2(CN(C(=O)C[NH+](CC)CC)C2)C1 ZINC001148462635 932711038 /nfs/dbraw/zinc/71/10/38/932711038.db2.gz JNAYCHZFARMIPR-UHFFFAOYSA-N 2 0 265.401 1.049 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155023852 937622960 /nfs/dbraw/zinc/62/29/60/937622960.db2.gz MYIVAVNHZJNHSQ-CYBMUJFWSA-N 2 0 267.417 1.341 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001148646630 932758325 /nfs/dbraw/zinc/75/83/25/932758325.db2.gz GIDBVUMGKVRRKO-UHFFFAOYSA-N 2 0 265.401 1.049 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCC[C@@H](C)[NH+]1CCCCC1 ZINC000305803961 935217838 /nfs/dbraw/zinc/21/78/38/935217838.db2.gz FRFKPBLQNZPNIL-CYBMUJFWSA-N 2 0 252.406 1.731 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014469673 935539393 /nfs/dbraw/zinc/53/93/93/935539393.db2.gz SRPXUFQIQRGNOJ-JKSUJKDBSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040528474 935788895 /nfs/dbraw/zinc/78/88/95/935788895.db2.gz LQOOYCQPTSUCJS-RDJZCZTQSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001095965069 935848037 /nfs/dbraw/zinc/84/80/37/935848037.db2.gz KTVJCKGFHHUQDR-PMPSAXMXSA-N 2 0 291.439 1.626 20 30 CDEDRP C#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001049656843 936167898 /nfs/dbraw/zinc/16/78/98/936167898.db2.gz ZVEGWZSBAUFFRC-JYJNAYRXSA-N 2 0 289.423 1.169 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001121924249 937891065 /nfs/dbraw/zinc/89/10/65/937891065.db2.gz YYCQNDXWEMHEKD-IHRRRGAJSA-N 2 0 267.417 1.659 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+](CC)C(C)C ZINC001121997054 937897697 /nfs/dbraw/zinc/89/76/97/937897697.db2.gz PNXAZKOPTBJTOA-CYBMUJFWSA-N 2 0 255.406 1.517 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158029146 938576137 /nfs/dbraw/zinc/57/61/37/938576137.db2.gz DASFZNYATUWKSF-KBPBESRZSA-N 2 0 299.846 1.709 20 30 CDEDRP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001158923127 938678539 /nfs/dbraw/zinc/67/85/39/938678539.db2.gz PBGDVNYCNSPQDW-OAHLLOKOSA-N 2 0 279.428 1.273 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001159334502 938723052 /nfs/dbraw/zinc/72/30/52/938723052.db2.gz DSNZNWVTSVBBMH-HNNXBMFYSA-N 2 0 281.444 1.923 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001214780230 938935704 /nfs/dbraw/zinc/93/57/04/938935704.db2.gz QNQFRQPQYXDZBX-OAGGEKHMSA-N 2 0 291.439 1.321 20 30 CDEDRP CN(CC[NH+]1CCCC1)c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001165140290 939516562 /nfs/dbraw/zinc/51/65/62/939516562.db2.gz RAKOYVPRHIHNPU-UHFFFAOYSA-N 2 0 299.422 1.521 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001166692824 939627597 /nfs/dbraw/zinc/62/75/97/939627597.db2.gz QFTZESKTFRULLW-KGLIPLIRSA-N 2 0 267.417 1.246 20 30 CDEDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccc(C#N)c1 ZINC001203762339 939703047 /nfs/dbraw/zinc/70/30/47/939703047.db2.gz OKFCSABNYJCLHX-ZWKOTPCHSA-N 2 0 298.434 1.768 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001205469595 939891959 /nfs/dbraw/zinc/89/19/59/939891959.db2.gz NTDGFFQPSMHGLP-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP N#Cc1cncc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205570920 939904594 /nfs/dbraw/zinc/90/45/94/939904594.db2.gz PTZZSQXJAUUUAW-AWEZNQCLSA-N 2 0 262.332 1.606 20 30 CDEDRP C[C@H]1CC[N@H+](Cc2cncc(C#N)c2)CC[C@H]1C[NH3+] ZINC001205625944 939910358 /nfs/dbraw/zinc/91/03/58/939910358.db2.gz CRXBVEDDGIXMEI-WFASDCNBSA-N 2 0 258.369 1.760 20 30 CDEDRP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001207757751 940240364 /nfs/dbraw/zinc/24/03/64/940240364.db2.gz KSHGQVHJXOOEHT-CHWSQXEVSA-N 2 0 267.417 1.339 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001208341361 940322318 /nfs/dbraw/zinc/32/23/18/940322318.db2.gz ZRUWNBGANWFPRR-CQSZACIVSA-N 2 0 277.412 1.075 20 30 CDEDRP C[NH2+]CC1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000402246840 940892148 /nfs/dbraw/zinc/89/21/48/940892148.db2.gz HXCKEVMPSCBYAF-MRXNPFEDSA-N 2 0 273.380 1.523 20 30 CDEDRP N#CCc1cccc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c1 ZINC001218987875 941298075 /nfs/dbraw/zinc/29/80/75/941298075.db2.gz OKLPBIDKQNHHAM-AWEZNQCLSA-N 2 0 272.352 1.018 20 30 CDEDRP C=C1CC=C(F)C=C1NC(=O)[C@H](CCCC[NH3+])[NH2+]C ZINC001220797299 941472923 /nfs/dbraw/zinc/47/29/23/941472923.db2.gz NLEHWGJDKXQSAN-LBPRGKRZSA-N 2 0 267.348 1.517 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)CC)[C@@H]2C1 ZINC001221656948 941545346 /nfs/dbraw/zinc/54/53/46/941545346.db2.gz BISHXLDRHZPIFZ-HUUCEWRRSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221772493 941550591 /nfs/dbraw/zinc/55/05/91/941550591.db2.gz CPTLLTHSLIEXMA-ZIAGYGMSSA-N 2 0 265.401 1.047 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001224536659 941766909 /nfs/dbraw/zinc/76/69/09/941766909.db2.gz MOUJVCFLDJUTED-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001225167831 941827624 /nfs/dbraw/zinc/82/76/24/941827624.db2.gz CPZDWQJVXFKLLB-INIZCTEOSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001227877399 942240536 /nfs/dbraw/zinc/24/05/36/942240536.db2.gz REKDBQMJNFKZQU-INIZCTEOSA-N 2 0 291.439 1.465 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001228602781 942340886 /nfs/dbraw/zinc/34/08/86/942340886.db2.gz LACQMLPSGBJKIU-BZUAXINKSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC001263105770 943747726 /nfs/dbraw/zinc/74/77/26/943747726.db2.gz XSVVGQSBIAFUNH-LBPRGKRZSA-N 2 0 253.390 1.176 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001277979695 944423653 /nfs/dbraw/zinc/42/36/53/944423653.db2.gz ACPUFFGQVXQKJY-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCCCCN(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001236923195 944617052 /nfs/dbraw/zinc/61/70/52/944617052.db2.gz JGRMMDXWRPWISW-HNNXBMFYSA-N 2 0 253.434 1.958 20 30 CDEDRP N#Cc1c2c(cnc1-c1cncc(C[NH3+])c1)C[NH2+]CCC2 ZINC001239784295 945580894 /nfs/dbraw/zinc/58/08/94/945580894.db2.gz KSGRNPGUFOBJEJ-UHFFFAOYSA-N 2 0 279.347 1.510 20 30 CDEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC001262566529 946717929 /nfs/dbraw/zinc/71/79/29/946717929.db2.gz SHGAICBACASGOI-IBGZPJMESA-N 2 0 296.414 1.898 20 30 CDEDRP C[N@@H+]1CCC[C@H](NC(=[NH2+])c2ccc(Cl)cn2)CC1 ZINC001254502842 947461512 /nfs/dbraw/zinc/46/15/12/947461512.db2.gz IGQJWJRDZYCLQA-NSHDSACASA-N 2 0 266.776 1.925 20 30 CDEDRP C=CCOCc1nn([C@H]2CCC[N@@H+](C)CC2)c2c1C[NH2+]C2 ZINC001254518100 947479950 /nfs/dbraw/zinc/47/99/50/947479950.db2.gz KJAVGKSREYTFPJ-ZDUSSCGKSA-N 2 0 290.411 1.846 20 30 CDEDRP COC(=O)c1ccc(C(=[NH2+])NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246306359 948094422 /nfs/dbraw/zinc/09/44/22/948094422.db2.gz UAOQFULWUHCZKF-PBWFPOADSA-N 2 0 287.363 1.462 20 30 CDEDRP C=CCOC(=O)N1CCC(C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001246466133 948188842 /nfs/dbraw/zinc/18/88/42/948188842.db2.gz MNVHSDFILYNLID-UHFFFAOYSA-N 2 0 281.400 1.363 20 30 CDEDRP C=CCOCc1nn([C@@H]2CC[NH2+][C@@H](C)C2)c2c1C[NH2+]C2 ZINC001246704025 948410713 /nfs/dbraw/zinc/41/07/13/948410713.db2.gz UBMIOPSUFVCFHD-NWDGAFQWSA-N 2 0 276.384 1.502 20 30 CDEDRP C=CCN1CC[NH+](C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256861198 948436980 /nfs/dbraw/zinc/43/69/80/948436980.db2.gz RJNIWRWUFUSKLN-UHFFFAOYSA-N 2 0 286.423 1.854 20 30 CDEDRP N#C[C@@H]1CCN(C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256860830 948438271 /nfs/dbraw/zinc/43/82/71/948438271.db2.gz GMZULEGKBKNLLQ-ZDUSSCGKSA-N 2 0 256.353 1.896 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC001252483016 951346857 /nfs/dbraw/zinc/34/68/57/951346857.db2.gz QJVRBEVVISNEFL-MRXNPFEDSA-N 2 0 278.396 1.401 20 30 CDEDRP C=C[C@@](C)(O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001252558362 951452680 /nfs/dbraw/zinc/45/26/80/951452680.db2.gz USXSCGPJLXHDJH-OAHLLOKOSA-N 2 0 252.402 1.874 20 30 CDEDRP C#CC[C@H](CCOC)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001335330184 959719748 /nfs/dbraw/zinc/71/97/48/959719748.db2.gz RFAKCOMJMYBLSR-KFWWJZLASA-N 2 0 250.386 1.631 20 30 CDEDRP C#CC[NH2+]CC(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC001340032677 962697195 /nfs/dbraw/zinc/69/71/95/962697195.db2.gz DVGRWQKSXPYJQK-AWEZNQCLSA-N 2 0 267.417 1.082 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC001340351156 962902055 /nfs/dbraw/zinc/90/20/55/962902055.db2.gz NHMCEYCKFKSOOL-KBPBESRZSA-N 2 0 267.417 1.613 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001438489152 963466187 /nfs/dbraw/zinc/46/61/87/963466187.db2.gz JGSKWCHXIFBZSS-CYZMBNFOSA-N 2 0 287.835 1.421 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001440600202 964116056 /nfs/dbraw/zinc/11/60/56/964116056.db2.gz QQMWOAYPVLNQCS-YPMHNXCESA-N 2 0 287.835 1.517 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001100345125 968074426 /nfs/dbraw/zinc/07/44/26/968074426.db2.gz QNFYLUBWRJKADF-XSCHDIRWSA-N 2 0 279.428 1.387 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001100420696 968292944 /nfs/dbraw/zinc/29/29/44/968292944.db2.gz RTKKTEIJZCUIIK-UYSNPLJNSA-N 2 0 291.439 1.369 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001406521638 976230454 /nfs/dbraw/zinc/23/04/54/976230454.db2.gz ONQYAMYBFZYLTQ-NSHDSACASA-N 2 0 273.808 1.175 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001392569067 977490741 /nfs/dbraw/zinc/49/07/41/977490741.db2.gz SYMBKMMYKBBXES-NSHDSACASA-N 2 0 273.808 1.318 20 30 CDEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132931483 1163512137 /nfs/dbraw/zinc/51/21/37/1163512137.db2.gz AFXNMKXGAKUVTP-GJZGRUSLSA-N 2 0 293.455 1.424 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133092237 1163568413 /nfs/dbraw/zinc/56/84/13/1163568413.db2.gz ZBKZTWFFOYCUIC-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=C(CC[NH+](C)C)C(=O)N1CCC([NH2+]CC)CC1 ZINC001574850440 1171026823 /nfs/dbraw/zinc/02/68/23/1171026823.db2.gz YMXKAXWSUSAUAI-UHFFFAOYSA-N 2 0 253.390 1.095 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001574908415 1171046168 /nfs/dbraw/zinc/04/61/68/1171046168.db2.gz MXFSPYKAVMKNDT-HUUCEWRRSA-N 2 0 279.428 1.803 20 30 CDEDRP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591866990 342650451 /nfs/dbraw/zinc/65/04/51/342650451.db2.gz LISRLXBZFZHIGJ-OAHLLOKOSA-N 2 0 290.411 1.945 20 30 CDEDRP Cn1cc(C[NH2+]CCCC[N@H+](C)C2CC2)cc1C#N ZINC000453593708 252328420 /nfs/dbraw/zinc/32/84/20/252328420.db2.gz HGQUSJBMTSHLFC-UHFFFAOYSA-N 2 0 260.385 1.861 20 30 CDEDRP CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595504649 343079518 /nfs/dbraw/zinc/07/95/18/343079518.db2.gz LGCFUQSZMZJQMS-MRXNPFEDSA-N 2 0 292.427 1.166 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595946073 343205633 /nfs/dbraw/zinc/20/56/33/343205633.db2.gz QKPITFHWIBFMFB-ZFWWWQNUSA-N 2 0 292.427 1.531 20 30 CDEDRP C[NH+]=C(NCc1ccsc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083803848 342377834 /nfs/dbraw/zinc/37/78/34/342377834.db2.gz IRJIABRKUCCVAQ-GFCCVEGCSA-N 2 0 292.452 1.897 20 30 CDEDRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000596651446 343371131 /nfs/dbraw/zinc/37/11/31/343371131.db2.gz QFACYPZKYDDUQH-APHBMKBZSA-N 2 0 273.380 1.443 20 30 CDEDRP C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000245453834 360696122 /nfs/dbraw/zinc/69/61/22/360696122.db2.gz RLTOWZDMCUXFIW-HZPDHXFCSA-N 2 0 293.455 1.849 20 30 CDEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000305083833 370853179 /nfs/dbraw/zinc/85/31/79/370853179.db2.gz NGNQZRJUHGBEJM-CABCVRRESA-N 2 0 252.402 1.731 20 30 CDEDRP CNC(=[NH2+])NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290627392 371282025 /nfs/dbraw/zinc/28/20/25/371282025.db2.gz KYWVBLDMHWLLJZ-HNNXBMFYSA-N 2 0 274.412 1.823 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000237749993 376006611 /nfs/dbraw/zinc/00/66/11/376006611.db2.gz OQLFXQAWOTUTLV-HNNXBMFYSA-N 2 0 265.401 1.143 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417527871 377840603 /nfs/dbraw/zinc/84/06/03/377840603.db2.gz OAFIPRXIMXURIN-UKRRQHHQSA-N 2 0 294.443 1.406 20 30 CDEDRP C=C[C@H](CO)[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000289730949 378347680 /nfs/dbraw/zinc/34/76/80/378347680.db2.gz GFYWMSWBPPTBBX-IMJJTQAJSA-N 2 0 260.381 1.786 20 30 CDEDRP CN1CC[NH+](CCCC[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000531356162 390629215 /nfs/dbraw/zinc/62/92/15/390629215.db2.gz LLWZRJHYFOIGSK-UHFFFAOYSA-N 2 0 292.452 1.737 20 30 CDEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000269482380 391249551 /nfs/dbraw/zinc/24/95/51/391249551.db2.gz OVKRAWVQKFFFES-HNNXBMFYSA-N 2 0 287.411 1.030 20 30 CDEDRP CCc1cnc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)s1 ZINC000267421349 391193532 /nfs/dbraw/zinc/19/35/32/391193532.db2.gz KSUBJQLCWHKLII-NSHDSACASA-N 2 0 295.456 1.594 20 30 CDEDRP CN1CC[NH+]=C1NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000262676735 391810994 /nfs/dbraw/zinc/81/09/94/391810994.db2.gz UHUNSXNJQOPZHZ-UHFFFAOYSA-N 2 0 290.411 1.061 20 30 CDEDRP C=CCC1([NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)CCCC1 ZINC000656792493 413672446 /nfs/dbraw/zinc/67/24/46/413672446.db2.gz RLPBIQVBEXOBEA-CQSZACIVSA-N 2 0 279.428 1.662 20 30 CDEDRP C=CC1CC[NH+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000414692201 263032877 /nfs/dbraw/zinc/03/28/77/263032877.db2.gz KIUKGLJXQCDSCS-CQSZACIVSA-N 2 0 265.401 1.082 20 30 CDEDRP C[N@@H+](Cc1cnc2c(C#N)cnn2c1)CC1CC[NH+](C)CC1 ZINC000521044934 267321286 /nfs/dbraw/zinc/32/12/86/267321286.db2.gz CNQWILKRRHRWKC-UHFFFAOYSA-N 2 0 298.394 1.375 20 30 CDEDRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000520230291 267336519 /nfs/dbraw/zinc/33/65/19/267336519.db2.gz JZKMRUDJPFQVIT-ZDUSSCGKSA-N 2 0 298.394 1.422 20 30 CDEDRP C[C@@H]1C[N@H+](CCC(C)(C)C#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000345952303 288155560 /nfs/dbraw/zinc/15/55/60/288155560.db2.gz NEHNRLAXSGTHED-HZPDHXFCSA-N 2 0 292.471 1.884 20 30 CDEDRP C[C@@H]1C[N@H+](CCCCC#N)CCN1C1CC[NH+](C)CC1 ZINC000355035747 288158112 /nfs/dbraw/zinc/15/81/12/288158112.db2.gz VAUDEJFZADYECO-OAHLLOKOSA-N 2 0 278.444 1.781 20 30 CDEDRP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001754326021 1159130074 /nfs/dbraw/zinc/13/00/74/1159130074.db2.gz BFQPPEUSCHEDBV-CVEARBPZSA-N 2 0 293.455 1.709 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000262896765 330036331 /nfs/dbraw/zinc/03/63/31/330036331.db2.gz XINISJZYMVXTEK-ZDUSSCGKSA-N 2 0 250.390 1.484 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H](C)C[NH2+]C)C(C)C ZINC000269250459 330068063 /nfs/dbraw/zinc/06/80/63/330068063.db2.gz XYTQWBKDMAXAGH-CABCVRRESA-N 2 0 281.444 1.657 20 30 CDEDRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424134342 330266545 /nfs/dbraw/zinc/26/65/45/330266545.db2.gz NJSJEBWGQOPYOF-STQMWFEESA-N 2 0 268.405 1.100 20 30 CDEDRP C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C(C)(C)C[NH+](C)C ZINC000424145725 330291455 /nfs/dbraw/zinc/29/14/55/330291455.db2.gz OILXAGLXCCSZIS-NWDGAFQWSA-N 2 0 268.405 1.100 20 30 CDEDRP C[NH+](C)CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C(C)(C)C ZINC000424147556 330293871 /nfs/dbraw/zinc/29/38/71/330293871.db2.gz ROVCHRFMKNVQAW-OLZOCXBDSA-N 2 0 282.432 1.490 20 30 CDEDRP C[NH2+]Cc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000424160407 330306350 /nfs/dbraw/zinc/30/63/50/330306350.db2.gz AUTDLGRQTNMXLG-CYBMUJFWSA-N 2 0 260.341 1.366 20 30 CDEDRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424191264 330323416 /nfs/dbraw/zinc/32/34/16/330323416.db2.gz HCEDZXGDKHBGCJ-KGLIPLIRSA-N 2 0 292.427 1.244 20 30 CDEDRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424209771 330328175 /nfs/dbraw/zinc/32/81/75/330328175.db2.gz ZQEHLULWJGXQRA-HUUCEWRRSA-N 2 0 288.395 1.386 20 30 CDEDRP C#CC[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000491264058 332176229 /nfs/dbraw/zinc/17/62/29/332176229.db2.gz DRXDNOKGZAIVQM-OAHLLOKOSA-N 2 0 294.443 1.066 20 30 CDEDRP CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001733040384 1160467776 /nfs/dbraw/zinc/46/77/76/1160467776.db2.gz AZBDDSPJPNQNQL-KGLIPLIRSA-N 2 0 267.417 1.032 20 30 CDEDRP CC#CC[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001733040383 1160468149 /nfs/dbraw/zinc/46/81/49/1160468149.db2.gz AZBDDSPJPNQNQL-KBPBESRZSA-N 2 0 267.417 1.032 20 30 CDEDRP C=C(C)C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CCOC ZINC001755839564 1160622020 /nfs/dbraw/zinc/62/20/20/1160622020.db2.gz SQGNVKZNHDQAFR-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106322343 1161143605 /nfs/dbraw/zinc/14/36/05/1161143605.db2.gz LXZAYXPEOIXFHV-RBSFLKMASA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCC[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001753726265 1185317756 /nfs/dbraw/zinc/31/77/56/1185317756.db2.gz IIEFDDXMDDHXOL-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001754336411 1185586104 /nfs/dbraw/zinc/58/61/04/1185586104.db2.gz LJAULQRYCMLALN-HUUCEWRRSA-N 2 0 281.444 1.729 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001113275466 1162146236 /nfs/dbraw/zinc/14/62/36/1162146236.db2.gz NSIJQQGTPMAYCO-HNNXBMFYSA-N 2 0 281.444 1.827 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001113346122 1162158532 /nfs/dbraw/zinc/15/85/32/1162158532.db2.gz QASYZMMHWUFYCG-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001113346298 1162159003 /nfs/dbraw/zinc/15/90/03/1162159003.db2.gz VAEAWZXUAZFTCM-HNNXBMFYSA-N 2 0 279.428 1.439 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001113644364 1162246426 /nfs/dbraw/zinc/24/64/26/1162246426.db2.gz UEVREQAGDXEWDI-UHFFFAOYSA-N 2 0 293.455 1.973 20 30 CDEDRP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000981194691 612958530 /nfs/dbraw/zinc/95/85/30/612958530.db2.gz MODCNFDIANLHCI-CABCVRRESA-N 2 0 289.423 1.265 20 30 CDEDRP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000981229264 612959218 /nfs/dbraw/zinc/95/92/18/612959218.db2.gz VASDACMJKQWPCT-CABCVRRESA-N 2 0 296.374 1.598 20 30 CDEDRP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000969014192 613148221 /nfs/dbraw/zinc/14/82/21/613148221.db2.gz SZIRPEWMNLCVBD-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000971560088 613284689 /nfs/dbraw/zinc/28/46/89/613284689.db2.gz COSMILYKHMXQHH-RBSFLKMASA-N 2 0 279.428 1.435 20 30 CDEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000972176195 613285430 /nfs/dbraw/zinc/28/54/30/613285430.db2.gz KTJZXBJEFSTDSE-HRCADAONSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000972070413 613287824 /nfs/dbraw/zinc/28/78/24/613287824.db2.gz OFGLTTUUCJTRFB-HNNXBMFYSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000972330428 613288824 /nfs/dbraw/zinc/28/88/24/613288824.db2.gz GFTGDJVPWQQUHL-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975048468 613341452 /nfs/dbraw/zinc/34/14/52/613341452.db2.gz IFHVFAAQQSIQKP-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000982149531 613488816 /nfs/dbraw/zinc/48/88/16/613488816.db2.gz XNENZRJGPDPQPI-UHFFFAOYSA-N 2 0 291.439 1.583 20 30 CDEDRP C=CCCN1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000951627901 613506211 /nfs/dbraw/zinc/50/62/11/613506211.db2.gz BMMWZMZJOBWFHW-HOTGVXAUSA-N 2 0 291.439 1.724 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549408 613516826 /nfs/dbraw/zinc/51/68/26/613516826.db2.gz QIFBFLVGXPFWGH-HUUCEWRRSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968152160 613528814 /nfs/dbraw/zinc/52/88/14/613528814.db2.gz JYFZVDMWONJTSX-HOCLYGCPSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948053337 613742702 /nfs/dbraw/zinc/74/27/02/613742702.db2.gz OIHVQTYITFEAEC-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948053334 613781260 /nfs/dbraw/zinc/78/12/60/613781260.db2.gz OIHVQTYITFEAEC-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000961560417 613838972 /nfs/dbraw/zinc/83/89/72/613838972.db2.gz SLXUVKBMTIASME-WCVJEAGWSA-N 2 0 291.439 1.341 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000891521564 617458370 /nfs/dbraw/zinc/45/83/70/617458370.db2.gz ZDJMETQMWNOCBW-JOCQHMNTSA-N 2 0 280.416 1.063 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC([NH3+])(CC)CC2)CC1 ZINC000891521857 617458766 /nfs/dbraw/zinc/45/87/66/617458766.db2.gz LNPSAQFOJKTNLK-UHFFFAOYSA-N 2 0 294.443 1.550 20 30 CDEDRP C#CCOCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000851925743 617726727 /nfs/dbraw/zinc/72/67/27/617726727.db2.gz AAFHMMSLGVFHFB-CABCVRRESA-N 2 0 264.413 1.879 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000896209114 620028003 /nfs/dbraw/zinc/02/80/03/620028003.db2.gz UPZIAFPWTAKMSX-AWEZNQCLSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000911651157 629396705 /nfs/dbraw/zinc/39/67/05/629396705.db2.gz BQDWNGWUFVZZRU-GFCCVEGCSA-N 2 0 253.390 1.448 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000911760443 629505261 /nfs/dbraw/zinc/50/52/61/629505261.db2.gz BUYCGOLVFPJUQS-CQSZACIVSA-N 2 0 277.368 1.646 20 30 CDEDRP CC(C)[NH+]=C(NC[C@H]1CCC[N@@H+]1C)NC(C)(C)C ZINC000912509373 630049584 /nfs/dbraw/zinc/04/95/84/630049584.db2.gz FASKFBZBCFQSQK-GFCCVEGCSA-N 2 0 254.422 1.823 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC000986568128 1160465627 /nfs/dbraw/zinc/46/56/27/1160465627.db2.gz UWPRULXKHCQUCE-SWLSCSKDSA-N 2 0 282.347 1.160 20 30 CDEDRP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182576 1161545653 /nfs/dbraw/zinc/54/56/53/1161545653.db2.gz LOABNJAHIVDFTQ-MRXNPFEDSA-N 2 0 297.443 1.111 20 30 CDEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001133191661 1163602453 /nfs/dbraw/zinc/60/24/53/1163602453.db2.gz RFBUUDYBFCSMSC-GJZGRUSLSA-N 2 0 279.428 1.036 20 30 CDEDRP C=CCC[C@@H](O)C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001252619364 1164706985 /nfs/dbraw/zinc/70/69/85/1164706985.db2.gz LYVGGUDPJILKHC-QGZVFWFLSA-N 2 0 296.455 1.794 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]cnc1C ZINC001570092796 1170075479 /nfs/dbraw/zinc/07/54/79/1170075479.db2.gz NGQDNJHVRRZXLX-CYBMUJFWSA-N 2 0 276.384 1.417 20 30 CDEDRP C#CC[C@@]1(C(=O)NC2CCC(C)([NH+](C)C)CC2)CCC[NH2+]1 ZINC001574517824 1170991360 /nfs/dbraw/zinc/99/13/60/1170991360.db2.gz QQWBWKOHPNJKDZ-PREGVCBESA-N 2 0 291.439 1.511 20 30 CDEDRP CC#CC[C@H]([NH3+])C(=O)N(CCC)CC[NH+]1CCCC1 ZINC001574963851 1171064763 /nfs/dbraw/zinc/06/47/63/1171064763.db2.gz YLHXGWDZGXDUCL-AWEZNQCLSA-N 2 0 265.401 1.062 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001752939788 1184971156 /nfs/dbraw/zinc/97/11/56/1184971156.db2.gz ZMDNLBNHRKFQHF-HOTGVXAUSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001753018164 1184997471 /nfs/dbraw/zinc/99/74/71/1184997471.db2.gz HESFZRFOQMENDY-WBVHZDCISA-N 2 0 293.455 1.923 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001753139132 1185080932 /nfs/dbraw/zinc/08/09/32/1185080932.db2.gz USBPSTLDRDJPIU-AWEZNQCLSA-N 2 0 267.417 1.342 20 30 CDEDRP C=CCCC[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001753208673 1185117159 /nfs/dbraw/zinc/11/71/59/1185117159.db2.gz YPTZANNPKGJZDK-UHFFFAOYSA-N 2 0 279.428 1.629 20 30 CDEDRP C#CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001753440012 1185209410 /nfs/dbraw/zinc/20/94/10/1185209410.db2.gz SIUSFCTWMKOOFI-CABCVRRESA-N 2 0 277.412 1.027 20 30 CDEDRP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001753582660 1185258290 /nfs/dbraw/zinc/25/82/90/1185258290.db2.gz TVLHKRJDXBJMOH-SHTZXODSSA-N 2 0 291.439 1.511 20 30 CDEDRP C#CC[NH2+]C[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001753632177 1185277289 /nfs/dbraw/zinc/27/72/89/1185277289.db2.gz ITCJKGVNICDUKB-GJZGRUSLSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001753993372 1185421183 /nfs/dbraw/zinc/42/11/83/1185421183.db2.gz SWWDBLSZKHHDSO-GJZGRUSLSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCC[NH2+]CCN(CC)C(=O)CC1CC[NH+](C)CC1 ZINC001754071215 1185448853 /nfs/dbraw/zinc/44/88/53/1185448853.db2.gz ZUZPIKAYNOPGGE-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP CC#CC[NH2+]CCN(CC)C(=O)C(C)(C)c1cnc[nH]1 ZINC001754081226 1185451978 /nfs/dbraw/zinc/45/19/78/1185451978.db2.gz SYFPRRVYUFTOGX-UHFFFAOYSA-N 2 0 276.384 1.149 20 30 CDEDRP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001754266867 1185540625 /nfs/dbraw/zinc/54/06/25/1185540625.db2.gz MDSRATMWRDBRLE-BFHYXJOUSA-N 2 0 267.417 1.387 20 30 CDEDRP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001754796526 1185734112 /nfs/dbraw/zinc/73/41/12/1185734112.db2.gz CSACYDKISHQZCJ-CABCVRRESA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001754821282 1185740925 /nfs/dbraw/zinc/74/09/25/1185740925.db2.gz OUVVSDXHIDQVMF-HIFRSBDPSA-N 2 0 279.428 1.198 20 30 CDEDRP C#CC[NH+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001755024926 1185789480 /nfs/dbraw/zinc/78/94/80/1185789480.db2.gz LLIRYCZVXSFOHR-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001755269671 1185883596 /nfs/dbraw/zinc/88/35/96/1185883596.db2.gz KRKGEGBBBSSFIS-GJZGRUSLSA-N 2 0 281.444 1.921 20 30 CDEDRP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001755526188 1185979698 /nfs/dbraw/zinc/97/96/98/1185979698.db2.gz BWCXLLJHHWIFPU-HZPDHXFCSA-N 2 0 293.455 1.759 20 30 CDEDRP C#CCC[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001755859281 1186093534 /nfs/dbraw/zinc/09/35/34/1186093534.db2.gz LXYUETZUWCVSRU-UHFFFAOYSA-N 2 0 291.439 1.463 20 30 CDEDRP CCC[NH+](CCC)CCCNC(=[NH2+])N(C)C1CC1 ZINC000305812414 728768748 /nfs/dbraw/zinc/76/87/48/728768748.db2.gz JZZFDWKKFPLFQD-UHFFFAOYSA-N 2 0 254.422 1.907 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001034016258 728795264 /nfs/dbraw/zinc/79/52/64/728795264.db2.gz LHTGSNHFAHPYNJ-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015596505 728799598 /nfs/dbraw/zinc/79/95/98/728799598.db2.gz CDICVVOGGYRHTL-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008759109 728818852 /nfs/dbraw/zinc/81/88/52/728818852.db2.gz CUBMKUKWRRWZJG-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP CCN(CC)C(=[NH2+])NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000303879567 728866778 /nfs/dbraw/zinc/86/67/78/728866778.db2.gz JREFBYSOIHLVSV-ZDUSSCGKSA-N 2 0 254.422 1.763 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001008525280 728907166 /nfs/dbraw/zinc/90/71/66/728907166.db2.gz ZTYJVRVKSNRYKH-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001033163768 728962762 /nfs/dbraw/zinc/96/27/62/728962762.db2.gz RZMHADJZFWAWAM-BFHYXJOUSA-N 2 0 286.379 1.069 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033595391 728939239 /nfs/dbraw/zinc/93/92/39/728939239.db2.gz SNNUIAVHBBUQDF-GJZGRUSLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ncc[nH]3)CC[C@@H]21 ZINC001036854748 728379487 /nfs/dbraw/zinc/37/94/87/728379487.db2.gz QHONQQNCLYEASU-KGLIPLIRSA-N 2 0 288.395 1.451 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001014796308 728449964 /nfs/dbraw/zinc/44/99/64/728449964.db2.gz HNMMVJCBLDRFKL-BFHYXJOUSA-N 2 0 288.395 1.670 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001044734463 728546245 /nfs/dbraw/zinc/54/62/45/728546245.db2.gz VMDQTVQDFNMYRC-ZFWWWQNUSA-N 2 0 279.428 1.483 20 30 CDEDRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1C#N ZINC000848719375 728575606 /nfs/dbraw/zinc/57/56/06/728575606.db2.gz CNSLWBDOZSRARH-UONOGXRCSA-N 2 0 259.353 1.926 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001023130530 728971977 /nfs/dbraw/zinc/97/19/77/728971977.db2.gz SNLZLTYXIYXEMI-MJBXVCDLSA-N 2 0 265.401 1.284 20 30 CDEDRP C[N@@H+]1CC[C@@H]2C[NH+](CCCC3(C#N)CCOCC3)C[C@@H]2C1 ZINC000931439759 728980820 /nfs/dbraw/zinc/98/08/20/728980820.db2.gz ZKKBBCURBLVCMA-CVEARBPZSA-N 2 0 291.439 1.970 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000848302762 728983708 /nfs/dbraw/zinc/98/37/08/728983708.db2.gz OHMVOBMGQYJFHY-UHFFFAOYSA-N 2 0 267.417 1.437 20 30 CDEDRP CCC[N@@H+]1CC[C@H](CNC(NC(C)(C)C)=[NH+]C)C1 ZINC000303462265 729093187 /nfs/dbraw/zinc/09/31/87/729093187.db2.gz AWVMMEKCALHXHM-GFCCVEGCSA-N 2 0 254.422 1.682 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001003633848 729118844 /nfs/dbraw/zinc/11/88/44/729118844.db2.gz IHKMKACORZWRHI-GOEBONIOSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001000183738 729129543 /nfs/dbraw/zinc/12/95/43/729129543.db2.gz LXMHBMZCJDXPFD-KBPBESRZSA-N 2 0 299.846 1.804 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CCC)C2)CC1 ZINC000999876899 729144355 /nfs/dbraw/zinc/14/43/55/729144355.db2.gz WGSAQBFYXYCLPU-UHFFFAOYSA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[C@H](CO)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000717751627 729223630 /nfs/dbraw/zinc/22/36/30/729223630.db2.gz YWJPLJJCZUPQCW-OAHLLOKOSA-N 2 0 273.380 1.414 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052864218 729313443 /nfs/dbraw/zinc/31/34/43/729313443.db2.gz CFFNDKCAAIGRFW-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033230176 729316451 /nfs/dbraw/zinc/31/64/51/729316451.db2.gz KQNLPNPEYBJILQ-OAHLLOKOSA-N 2 0 296.374 1.504 20 30 CDEDRP [NH2+]=C(NCC1CCC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262012742 729325026 /nfs/dbraw/zinc/32/50/26/729325026.db2.gz UUMKYWLFZZJYMQ-LBPRGKRZSA-N 2 0 250.390 1.175 20 30 CDEDRP CCC[NH+](CCC)CCCNC(=[NH2+])N1CCSCC1 ZINC000104177494 729346757 /nfs/dbraw/zinc/34/67/57/729346757.db2.gz YHHCGYQCIFPZCQ-UHFFFAOYSA-N 2 0 286.489 1.862 20 30 CDEDRP C=CCC[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000923430022 729358493 /nfs/dbraw/zinc/35/84/93/729358493.db2.gz COEIHOUEDKLPPG-IXDOHACOSA-N 2 0 293.455 1.214 20 30 CDEDRP C[NH+]=C(NCC[NH+]1CCCCC1)NCc1ccco1 ZINC000848983148 729362514 /nfs/dbraw/zinc/36/25/14/729362514.db2.gz MTCRWWUBPHMZQM-UHFFFAOYSA-N 2 0 264.373 1.431 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052870625 729368540 /nfs/dbraw/zinc/36/85/40/729368540.db2.gz VZZPTCSJVJYPPR-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001153954 729391120 /nfs/dbraw/zinc/39/11/20/729391120.db2.gz YHRFKZVBGFBZHR-ZBFHGGJFSA-N 2 0 291.439 1.509 20 30 CDEDRP CC(C)[NH+]1CCC([N@H+](C)CCO[C@@H](C)C#N)CC1 ZINC000801916629 729394657 /nfs/dbraw/zinc/39/46/57/729394657.db2.gz ADFOCLVILVTDJI-ZDUSSCGKSA-N 2 0 253.390 1.720 20 30 CDEDRP CC#CCN1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033225836 729400816 /nfs/dbraw/zinc/40/08/16/729400816.db2.gz LLZYVZLLNQMSMJ-OAHLLOKOSA-N 2 0 289.423 1.171 20 30 CDEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001040744989 729494226 /nfs/dbraw/zinc/49/42/26/729494226.db2.gz GDRAZMTZTAQJND-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001049370648 729513669 /nfs/dbraw/zinc/51/36/69/729513669.db2.gz XWRRKZNSIGYXLN-XHSDSOJGSA-N 2 0 289.423 1.169 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008762607 729558119 /nfs/dbraw/zinc/55/81/19/729558119.db2.gz VAWODYODYMYWHI-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000999340497 729570555 /nfs/dbraw/zinc/57/05/55/729570555.db2.gz ZMKCOFAWLGDPIO-UHFFFAOYSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001034717176 729580480 /nfs/dbraw/zinc/58/04/80/729580480.db2.gz YNRHVLWODSJEEU-VGWMRTNUSA-N 2 0 293.455 1.920 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001001592041 729588752 /nfs/dbraw/zinc/58/87/52/729588752.db2.gz TWWXJMOETKSLMM-UHFFFAOYSA-N 2 0 289.423 1.076 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000989735308 729601762 /nfs/dbraw/zinc/60/17/62/729601762.db2.gz XRBOXFWLYPAQSI-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014412057 729601797 /nfs/dbraw/zinc/60/17/97/729601797.db2.gz FIPNINVKLCIBKD-KBPBESRZSA-N 2 0 265.401 1.236 20 30 CDEDRP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989662798 729610213 /nfs/dbraw/zinc/61/02/13/729610213.db2.gz XIPJOWVEVOUNJF-OAHLLOKOSA-N 2 0 279.428 1.439 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049895154 729611002 /nfs/dbraw/zinc/61/10/02/729611002.db2.gz ICNDMBRPAYWLFE-JKSUJKDBSA-N 2 0 291.439 1.724 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000791339759 729612340 /nfs/dbraw/zinc/61/23/40/729612340.db2.gz GSLJFQDBBFLVRT-AWEZNQCLSA-N 2 0 265.401 1.191 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000999343542 729613307 /nfs/dbraw/zinc/61/33/07/729613307.db2.gz OXANYOCSUMMDOI-UHFFFAOYSA-N 2 0 299.846 1.660 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001023273366 729621522 /nfs/dbraw/zinc/62/15/22/729621522.db2.gz LQVLEAIKKKQTME-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027993257 729648789 /nfs/dbraw/zinc/64/87/89/729648789.db2.gz OEQSWKZZXJHWSU-OAHLLOKOSA-N 2 0 291.439 1.772 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]C(C)C)C[C@@H]2C)CC1 ZINC000989828573 729678341 /nfs/dbraw/zinc/67/83/41/729678341.db2.gz FYMABBHMYBHQPZ-HOCLYGCPSA-N 2 0 291.439 1.319 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001018989968 729687171 /nfs/dbraw/zinc/68/71/71/729687171.db2.gz ARDOADPXVSHCFI-UONOGXRCSA-N 2 0 299.846 1.804 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001038819460 729714825 /nfs/dbraw/zinc/71/48/25/729714825.db2.gz WIMQUYPXICDOIN-QGZVFWFLSA-N 2 0 299.418 1.576 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001027694374 729729398 /nfs/dbraw/zinc/72/93/98/729729398.db2.gz WNOCHBPCOJUBFL-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP CNC(NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)=[NH+]C ZINC000708793764 729752013 /nfs/dbraw/zinc/75/20/13/729752013.db2.gz JXEQRKDJVPRAPS-UKRRQHHQSA-N 2 0 274.412 1.549 20 30 CDEDRP C=C(Cl)CN1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001031921670 729816461 /nfs/dbraw/zinc/81/64/61/729816461.db2.gz YXXYRBFHJDHPOU-JSGCOSHPSA-N 2 0 299.846 1.517 20 30 CDEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000843340478 729823034 /nfs/dbraw/zinc/82/30/34/729823034.db2.gz QKEYKYSJPFESKP-MELADBBJSA-N 2 0 256.353 1.431 20 30 CDEDRP C=CCNC(N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)=[NH+]CC ZINC000261655969 729831603 /nfs/dbraw/zinc/83/16/03/729831603.db2.gz ADKIFKXDKLAHNH-WCQYABFASA-N 2 0 250.390 1.210 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001074824753 729837589 /nfs/dbraw/zinc/83/75/89/729837589.db2.gz ORFYFWZIWZUYMX-XHSDSOJGSA-N 2 0 291.439 1.321 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](OC)C(C)(C)C ZINC000304706547 729841233 /nfs/dbraw/zinc/84/12/33/729841233.db2.gz KWYPKWOCVBODFK-QWHCGFSZSA-N 2 0 284.448 1.436 20 30 CDEDRP C=CCN1CCN(C[N@H+](C)CC2CC[NH+](C)CC2)C1=O ZINC000839992582 729870677 /nfs/dbraw/zinc/87/06/77/729870677.db2.gz XITFCWRJAFBNPT-UHFFFAOYSA-N 2 0 280.416 1.141 20 30 CDEDRP CC[C@H](C)NC(=[NH2+])NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000303263643 729882114 /nfs/dbraw/zinc/88/21/14/729882114.db2.gz RGNBVSWXWBRPNA-AVGNSLFASA-N 2 0 254.422 1.810 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001052713258 729893966 /nfs/dbraw/zinc/89/39/66/729893966.db2.gz UJZFEWPVIMUGSS-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034529042 729898969 /nfs/dbraw/zinc/89/89/69/729898969.db2.gz VFJVJJLIZAYPHF-AWEZNQCLSA-N 2 0 265.401 1.239 20 30 CDEDRP CC(C)CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000303778378 729944327 /nfs/dbraw/zinc/94/43/27/729944327.db2.gz JQWDKMHFQLOJHQ-ZDUSSCGKSA-N 2 0 254.422 1.667 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCCCC[NH+]2CCC(C)CC2)N1 ZINC000848989227 729949112 /nfs/dbraw/zinc/94/91/12/729949112.db2.gz HIDWWPBQQCWGPK-CYBMUJFWSA-N 2 0 252.406 1.436 20 30 CDEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCC(C)C)C1 ZINC000303891654 729958153 /nfs/dbraw/zinc/95/81/53/729958153.db2.gz QVZXECDLUYUJHJ-ZDUSSCGKSA-N 2 0 254.422 1.669 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]C(C)C)[C@@H]2C)CC1 ZINC000987567729 730003803 /nfs/dbraw/zinc/00/38/03/730003803.db2.gz GHLPORAYJFCVFO-GOEBONIOSA-N 2 0 291.439 1.319 20 30 CDEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001042093179 730064696 /nfs/dbraw/zinc/06/46/96/730064696.db2.gz MMAWZQBUJNEWFV-HUUCEWRRSA-N 2 0 289.423 1.027 20 30 CDEDRP CC(C)C#CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000827481832 730296179 /nfs/dbraw/zinc/29/61/79/730296179.db2.gz QDGLQRQPTMOCRV-UHFFFAOYSA-N 2 0 281.444 1.378 20 30 CDEDRP C[NH+]=C(NCCCC[N@@H+]1CCCC[C@@H]1C)NC1CC1 ZINC000103337954 730313968 /nfs/dbraw/zinc/31/39/68/730313968.db2.gz DYGQXGRRRRZFFU-ZDUSSCGKSA-N 2 0 266.433 1.968 20 30 CDEDRP C[C@H](CNC(=[NH2+])NC(C)(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000261979811 730321667 /nfs/dbraw/zinc/32/16/67/730321667.db2.gz HLTJWPHRXNQYNB-NWDGAFQWSA-N 2 0 254.422 1.810 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001032400353 730327531 /nfs/dbraw/zinc/32/75/31/730327531.db2.gz DSYJGCYGJLZIPD-HRCADAONSA-N 2 0 291.439 1.720 20 30 CDEDRP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001024617278 730360493 /nfs/dbraw/zinc/36/04/93/730360493.db2.gz CIYLBAWGVQQHFO-HRCADAONSA-N 2 0 291.439 1.321 20 30 CDEDRP C[NH+]=C(NCC[NH2+]C(C)(C)C)N1CC[C@@]2(CCOC2)C1 ZINC000158126389 730382527 /nfs/dbraw/zinc/38/25/27/730382527.db2.gz UBKRMJOCQQSUGI-OAHLLOKOSA-N 2 0 282.432 1.062 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021735896 730419623 /nfs/dbraw/zinc/41/96/23/730419623.db2.gz JGAYXQHPSKLMOD-JKSUJKDBSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001174961771 913417478 /nfs/dbraw/zinc/41/74/78/913417478.db2.gz OGOIBIATBOGVAM-CQSZACIVSA-N 2 0 269.433 1.779 20 30 CDEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175265549 913519328 /nfs/dbraw/zinc/51/93/28/913519328.db2.gz ZTAGETQZKCKQQH-HOTGVXAUSA-N 2 0 293.455 1.616 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001022720817 896816161 /nfs/dbraw/zinc/81/61/61/896816161.db2.gz STNRVBHVSWWEOH-SYEHKZFSSA-N 2 0 285.819 1.173 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001022880065 897094624 /nfs/dbraw/zinc/09/46/24/897094624.db2.gz DPFNNESZERIIBO-OKILXGFUSA-N 2 0 299.846 1.708 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001267620090 899032245 /nfs/dbraw/zinc/03/22/45/899032245.db2.gz SMGVRAZPWLLPEI-OAHLLOKOSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105008329 899781052 /nfs/dbraw/zinc/78/10/52/899781052.db2.gz YKJZNTXSVKQLDR-RBSFLKMASA-N 2 0 279.428 1.198 20 30 CDEDRP C=CC[N@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001028647245 903180568 /nfs/dbraw/zinc/18/05/68/903180568.db2.gz FWQGPJDOVOZCTL-CQSZACIVSA-N 2 0 298.390 1.880 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCCCC[N@@H+]2CCCC[C@@H]2C)N1 ZINC000848989319 906557790 /nfs/dbraw/zinc/55/77/90/906557790.db2.gz NQUOPDMUZUAPPH-OLZOCXBDSA-N 2 0 252.406 1.578 20 30 CDEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001088326707 906904779 /nfs/dbraw/zinc/90/47/79/906904779.db2.gz WOHAMQRTNKJUOQ-HNNXBMFYSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001168146683 907463163 /nfs/dbraw/zinc/46/31/63/907463163.db2.gz IPOAYYRHGBCPGS-UHFFFAOYSA-N 2 0 299.846 1.711 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000987552064 907738502 /nfs/dbraw/zinc/73/85/02/907738502.db2.gz QFNIWRGSJRIHBS-RHSMWYFYSA-N 2 0 299.418 1.574 20 30 CDEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001088620014 908633681 /nfs/dbraw/zinc/63/36/81/908633681.db2.gz OWEZLQAXBSOPCX-PMPSAXMXSA-N 2 0 291.439 1.177 20 30 CDEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001076605770 909918269 /nfs/dbraw/zinc/91/82/69/909918269.db2.gz SENFAFNEYJODBQ-JKSUJKDBSA-N 2 0 291.439 1.581 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001178702864 915597999 /nfs/dbraw/zinc/59/79/99/915597999.db2.gz XXDYQLPYZHWJMJ-UHFFFAOYSA-N 2 0 279.428 1.370 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)CC[NH+](C)C ZINC001179461719 915845603 /nfs/dbraw/zinc/84/56/03/915845603.db2.gz YPWJCBGILLXOAL-UHFFFAOYSA-N 2 0 255.406 1.390 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1C ZINC001179520501 915855104 /nfs/dbraw/zinc/85/51/04/915855104.db2.gz CERBDLWLDRHKOO-SOUVJXGZSA-N 2 0 281.444 1.872 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995887467 918181353 /nfs/dbraw/zinc/18/13/53/918181353.db2.gz PIMGQUJJKCALDJ-AWEZNQCLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001183366774 918479255 /nfs/dbraw/zinc/47/92/55/918479255.db2.gz YDRDIZLSJNFOFH-UONOGXRCSA-N 2 0 267.417 1.339 20 30 CDEDRP C=CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001000102469 936526078 /nfs/dbraw/zinc/52/60/78/936526078.db2.gz URMGGXVUAFKBJB-HNNXBMFYSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001000191459 936526646 /nfs/dbraw/zinc/52/66/46/936526646.db2.gz JAOADNPYHYHQJA-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001183868183 918746733 /nfs/dbraw/zinc/74/67/33/918746733.db2.gz KYQUVFJJCBUXFK-CVEARBPZSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCOCC[NH2+]C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001203459328 919262698 /nfs/dbraw/zinc/26/26/98/919262698.db2.gz CKIUNTMLUZJIKB-UHFFFAOYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001185027969 919386573 /nfs/dbraw/zinc/38/65/73/919386573.db2.gz BMWMDMZWQKOFJA-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001185550627 919649479 /nfs/dbraw/zinc/64/94/79/919649479.db2.gz WCXFPORGYAXWGE-HOTGVXAUSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001185548278 919650419 /nfs/dbraw/zinc/65/04/19/919650419.db2.gz LHLIQWBXXMSKBX-HOTGVXAUSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001186091000 919881047 /nfs/dbraw/zinc/88/10/47/919881047.db2.gz WNIDJTNJSDZFBT-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001078718503 920425819 /nfs/dbraw/zinc/42/58/19/920425819.db2.gz QWIVJWRXXIDLRL-HUUCEWRRSA-N 2 0 291.439 1.531 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128784887 922435525 /nfs/dbraw/zinc/43/55/25/922435525.db2.gz OCZOUVKPXQXNJK-CQSZACIVSA-N 2 0 267.417 1.533 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034130145 922508966 /nfs/dbraw/zinc/50/89/66/922508966.db2.gz GHEVLRYYNWXUPV-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192384873 923049525 /nfs/dbraw/zinc/04/95/25/923049525.db2.gz AXVHATNSTFQIJM-HNNXBMFYSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001193609784 923800313 /nfs/dbraw/zinc/80/03/13/923800313.db2.gz IVNULRNIXOBMIV-HNNXBMFYSA-N 2 0 281.444 1.827 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001079805373 924433258 /nfs/dbraw/zinc/43/32/58/924433258.db2.gz ORPVWSTYLBUZBW-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001080037253 924477222 /nfs/dbraw/zinc/47/72/22/924477222.db2.gz JBRLXNIRDSERRH-HUUCEWRRSA-N 2 0 289.423 1.075 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001101025199 936952416 /nfs/dbraw/zinc/95/24/16/936952416.db2.gz ZRQPTKYZPHXVNR-UHFFFAOYSA-N 2 0 291.439 1.370 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001101037763 936953434 /nfs/dbraw/zinc/95/34/34/936953434.db2.gz WAQTWCHNWFRCSA-UYSNPLJNSA-N 2 0 291.439 1.224 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001165718953 925033538 /nfs/dbraw/zinc/03/35/38/925033538.db2.gz USVDCYCXDCCFIT-CQSZACIVSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084831645 925448115 /nfs/dbraw/zinc/44/81/15/925448115.db2.gz UHESDMKUFPRHCZ-QLFBSQMISA-N 2 0 277.412 1.047 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085093129 925647876 /nfs/dbraw/zinc/64/78/76/925647876.db2.gz HXIAPEIYUDBOJU-OAGGEKHMSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001201052632 926193635 /nfs/dbraw/zinc/19/36/35/926193635.db2.gz GWWHSONKRRRBTH-INIZCTEOSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001085589326 926196229 /nfs/dbraw/zinc/19/62/29/926196229.db2.gz JLRUOUFUFFXTNV-CVEARBPZSA-N 2 0 291.439 1.415 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001410838038 926649118 /nfs/dbraw/zinc/64/91/18/926649118.db2.gz DDXFRNAFQGPTFH-QWHCGFSZSA-N 2 0 287.835 1.660 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001086119111 926722222 /nfs/dbraw/zinc/72/22/22/926722222.db2.gz BYDRIXCXNXZNLC-GASCZTMLSA-N 2 0 291.439 1.533 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001086221325 926852063 /nfs/dbraw/zinc/85/20/63/926852063.db2.gz OSZWRIPNXZTARJ-XUWVNRHRSA-N 2 0 291.439 1.674 20 30 CDEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001108821186 928659252 /nfs/dbraw/zinc/65/92/52/928659252.db2.gz DGTGHRLDWHUHKS-XHSDSOJGSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086533799 929100940 /nfs/dbraw/zinc/10/09/40/929100940.db2.gz AWGUMUMOBCZPTM-JOCQHMNTSA-N 2 0 297.830 1.319 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608158 929813678 /nfs/dbraw/zinc/81/36/78/929813678.db2.gz RMIXEHUQEOZOSL-ZIAGYGMSSA-N 2 0 281.444 1.920 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135102644 930051322 /nfs/dbraw/zinc/05/13/22/930051322.db2.gz KAANHXYDANFSKB-KBPBESRZSA-N 2 0 265.401 1.285 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135102277 930052826 /nfs/dbraw/zinc/05/28/26/930052826.db2.gz BNWRFTPTAKPNQL-LSDHHAIUSA-N 2 0 279.428 1.675 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCCCC1 ZINC001115592034 937398449 /nfs/dbraw/zinc/39/84/49/937398449.db2.gz PSIUYDCMABKKGY-CQSZACIVSA-N 2 0 281.444 1.921 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767839 930399428 /nfs/dbraw/zinc/39/94/28/930399428.db2.gz ISVWWGAVNSETDW-HZPDHXFCSA-N 2 0 293.455 1.615 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135981015 930580692 /nfs/dbraw/zinc/58/06/92/930580692.db2.gz WILXXYBGHLPICY-KGLIPLIRSA-N 2 0 267.417 1.224 20 30 CDEDRP N#Cc1ncc(N[C@H]([NH3+])CCC[NH3+])cc1C(F)(F)F ZINC001170900182 930699905 /nfs/dbraw/zinc/69/99/05/930699905.db2.gz PWUPVKSCRAFICM-JTQLQIEISA-N 2 0 273.262 1.408 20 30 CDEDRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(C#N)c1 ZINC001275290491 931725140 /nfs/dbraw/zinc/72/51/40/931725140.db2.gz OKFCSABNYJCLHX-ROUUACIJSA-N 2 0 298.434 1.768 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)Cn1cncc1C ZINC001154332030 937532295 /nfs/dbraw/zinc/53/22/95/937532295.db2.gz BMROKXMDIPRPPP-CQSZACIVSA-N 2 0 276.384 1.041 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455253 937546511 /nfs/dbraw/zinc/54/65/11/937546511.db2.gz MPFNXTYJOCXTSS-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455252 937546555 /nfs/dbraw/zinc/54/65/55/937546555.db2.gz MPFNXTYJOCXTSS-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001091198731 931999932 /nfs/dbraw/zinc/99/99/32/931999932.db2.gz QQEZQIASNPIWJD-PCKAHOCUSA-N 2 0 291.439 1.226 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]C(C)C)C2)CC1 ZINC001091377433 932122141 /nfs/dbraw/zinc/12/21/41/932122141.db2.gz JSYVJBPIPPNIJK-UHFFFAOYSA-N 2 0 291.439 1.224 20 30 CDEDRP C#CCCC[N@@H+]1C[C@@H]2CCN(CC[NH+](C)C)CC[C@@H]2C1 ZINC001275977603 932194169 /nfs/dbraw/zinc/19/41/69/932194169.db2.gz BVCBENSKAMNNIZ-CALCHBBNSA-N 2 0 277.456 1.605 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146602329 932269649 /nfs/dbraw/zinc/26/96/49/932269649.db2.gz SDAURNZFMJAAPY-KBPBESRZSA-N 2 0 269.433 1.776 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146594861 932270702 /nfs/dbraw/zinc/27/07/02/932270702.db2.gz VQOUNNSAFUTSLA-QWHCGFSZSA-N 2 0 255.406 1.386 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146613485 932271799 /nfs/dbraw/zinc/27/17/99/932271799.db2.gz TULREJCQXKBWAA-HZPDHXFCSA-N 2 0 293.455 1.759 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001147409703 932502135 /nfs/dbraw/zinc/50/21/35/932502135.db2.gz HOCDVMZOIATHGH-QGZVFWFLSA-N 2 0 289.423 1.745 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001091780578 932883601 /nfs/dbraw/zinc/88/36/01/932883601.db2.gz QQYFUIHXWHIFCS-FMKPAKJESA-N 2 0 279.428 1.293 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001008535597 935404285 /nfs/dbraw/zinc/40/42/85/935404285.db2.gz UKAXOUSJOBHPIX-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2ccnc2)C1 ZINC001019447326 935705865 /nfs/dbraw/zinc/70/58/65/935705865.db2.gz CPXIPIVEJSCMBM-STQMWFEESA-N 2 0 296.802 1.777 20 30 CDEDRP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046322482 935941003 /nfs/dbraw/zinc/94/10/03/935941003.db2.gz BZJSLJKIPYNRJV-GOEBONIOSA-N 2 0 277.412 1.095 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156901679 938431841 /nfs/dbraw/zinc/43/18/41/938431841.db2.gz TUJNOTIXBHWXAG-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158197245 938593392 /nfs/dbraw/zinc/59/33/92/938593392.db2.gz UORBRGPLEHZKBD-HOCLYGCPSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305439 938605969 /nfs/dbraw/zinc/60/59/69/938605969.db2.gz ICSJWEBIWLWWLX-MELADBBJSA-N 2 0 265.401 1.271 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001158419455 938620992 /nfs/dbraw/zinc/62/09/92/938620992.db2.gz PXMCWKFUPCDCFS-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175453 938773841 /nfs/dbraw/zinc/77/38/41/938773841.db2.gz SAMAALUMABHWPY-GDBMZVCRSA-N 2 0 291.439 1.651 20 30 CDEDRP C#CC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160353031 938782280 /nfs/dbraw/zinc/78/22/80/938782280.db2.gz NOXOIEVGRNTKNU-INIZCTEOSA-N 2 0 289.423 1.098 20 30 CDEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(CC#N)Cc1ccccc1 ZINC001160668246 938810630 /nfs/dbraw/zinc/81/06/30/938810630.db2.gz UEESNIVMONNSBM-HNNXBMFYSA-N 2 0 288.395 1.256 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161872709 938938489 /nfs/dbraw/zinc/93/84/89/938938489.db2.gz JZJFHFQIQSNRKN-UHFFFAOYSA-N 2 0 270.336 1.067 20 30 CDEDRP N#Cc1c(Cl)ccnc1NCCC[NH2+]CCCC[NH3+] ZINC001162290366 938971287 /nfs/dbraw/zinc/97/12/87/938971287.db2.gz QRZNGJYKYGKVAD-UHFFFAOYSA-N 2 0 281.791 1.737 20 30 CDEDRP C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc[nH+]c(CC#N)c1 ZINC001162466567 939061872 /nfs/dbraw/zinc/06/18/72/939061872.db2.gz NPKLNDZSQLAOSL-OLZOCXBDSA-N 2 0 258.369 1.617 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001164555178 939493329 /nfs/dbraw/zinc/49/33/29/939493329.db2.gz JAIGDLOJFFSCJB-OAHLLOKOSA-N 2 0 291.439 1.390 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165776331 939576892 /nfs/dbraw/zinc/57/68/92/939576892.db2.gz GXLMHFUFDUOZDM-UHFFFAOYSA-N 2 0 267.417 1.390 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166677558 939625184 /nfs/dbraw/zinc/62/51/84/939625184.db2.gz JYCZMXWTZKBTGS-LSDHHAIUSA-N 2 0 281.444 1.779 20 30 CDEDRP N#Cc1ccc(Cl)c(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205229820 939839700 /nfs/dbraw/zinc/83/97/00/939839700.db2.gz POAPUANRTQCBBE-OAHLLOKOSA-N 2 0 293.798 1.887 20 30 CDEDRP C=CCN(CC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1)C(=O)OCC ZINC001205599958 939907570 /nfs/dbraw/zinc/90/75/70/939907570.db2.gz ATCSYOBGQQQEAL-HUUCEWRRSA-N 2 0 297.443 1.938 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001214780392 940839104 /nfs/dbraw/zinc/83/91/04/940839104.db2.gz XXWWMRVNALMFGD-OAGGEKHMSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214969007 940848788 /nfs/dbraw/zinc/84/87/88/940848788.db2.gz HZOAMMMJKYWJFY-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215541307 940893379 /nfs/dbraw/zinc/89/33/79/940893379.db2.gz XTVCAVWMTYFCPO-ARFHVFGLSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216382959 940936040 /nfs/dbraw/zinc/93/60/40/940936040.db2.gz FQNJJSVASSQXQJ-OWCLPIDISA-N 2 0 293.455 1.731 20 30 CDEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccc([C@H](C)C#N)cc1 ZINC001218871437 941282058 /nfs/dbraw/zinc/28/20/58/941282058.db2.gz LUYAJESZNWWFTA-DOMZBBRYSA-N 2 0 288.395 1.969 20 30 CDEDRP CC(C)C[C@@](C)(C#N)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221292933 941514019 /nfs/dbraw/zinc/51/40/19/941514019.db2.gz WNKJJXDYIBNVCM-HIFRSBDPSA-N 2 0 292.427 1.305 20 30 CDEDRP N#Cc1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cc1F ZINC001222091036 941562515 /nfs/dbraw/zinc/56/25/15/941562515.db2.gz NABKRCMDGTZKKG-UHFFFAOYSA-N 2 0 288.370 1.225 20 30 CDEDRP C#Cc1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001222094614 941563309 /nfs/dbraw/zinc/56/33/09/941563309.db2.gz HNSAZGFSEWBWLY-UHFFFAOYSA-N 2 0 269.392 1.195 20 30 CDEDRP C=CC[NH2+]CCN1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001222644077 941621862 /nfs/dbraw/zinc/62/18/62/941621862.db2.gz YBTCZUPOIRGRCK-LBPRGKRZSA-N 2 0 291.361 1.768 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC001263111403 943751372 /nfs/dbraw/zinc/75/13/72/943751372.db2.gz BUPIOOVWSGEQPP-UONOGXRCSA-N 2 0 267.417 1.613 20 30 CDEDRP CC#CCN1CC[C@H]1CN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001234642026 943924276 /nfs/dbraw/zinc/92/42/76/943924276.db2.gz GJWPHOKHVZJKJE-GJZGRUSLSA-N 2 0 297.418 1.222 20 30 CDEDRP C=CC[NH2+]CCN1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235233703 944100937 /nfs/dbraw/zinc/10/09/37/944100937.db2.gz SPDHKGFEOPIWDC-HNNXBMFYSA-N 2 0 251.418 1.616 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235394749 944142913 /nfs/dbraw/zinc/14/29/13/944142913.db2.gz UVPXMNWGSNWBKX-OAHLLOKOSA-N 2 0 279.428 1.580 20 30 CDEDRP C[NH+](C)CCN1CCC2(C[NH+](CCCCC#N)C2)C1 ZINC001277951999 944194222 /nfs/dbraw/zinc/19/42/22/944194222.db2.gz RSLQCAIQNXYMLC-UHFFFAOYSA-N 2 0 264.417 1.250 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=[NH2+])Nc1ccc(C)cc1 ZINC001261566381 946175951 /nfs/dbraw/zinc/17/59/51/946175951.db2.gz DKDQEGYITGFRQC-UHFFFAOYSA-N 2 0 258.369 1.886 20 30 CDEDRP C[C@H](CC[NH2+]C[C@@H](O)COc1ccccc1C#N)[NH+](C)C ZINC001262565778 946715386 /nfs/dbraw/zinc/71/53/86/946715386.db2.gz WEFQFJVHPYEZLR-UKRRQHHQSA-N 2 0 291.395 1.228 20 30 CDEDRP C=C1C[C@@H]2CC([NH2+][C@H]3CO[C@@H]4C[NH2+]C[C@H]34)C[C@H](C1)C2 ZINC001246151039 947990619 /nfs/dbraw/zinc/99/06/19/947990619.db2.gz YHYRWCWUHCVAEB-KNABHZPTSA-N 2 0 262.397 1.698 20 30 CDEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]CCC[NH2+]CCCC[NH3+] ZINC001246458729 948184666 /nfs/dbraw/zinc/18/46/66/948184666.db2.gz UPVURLKYQRCUBC-OAHLLOKOSA-N 2 0 288.439 1.797 20 30 CDEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+]C1CC[NH+](C)CC1 ZINC001256201652 948233693 /nfs/dbraw/zinc/23/36/93/948233693.db2.gz KCBCWVVEMNOGOX-UHFFFAOYSA-N 3 0 274.412 1.748 20 30 CDEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246540253 948243010 /nfs/dbraw/zinc/24/30/10/948243010.db2.gz DABICXRPRQXEDD-YOEHRIQHSA-N 2 0 287.407 1.665 20 30 CDEDRP N#CC1CC([NH2+]C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256687034 948395593 /nfs/dbraw/zinc/39/55/93/948395593.db2.gz KNXOCRNUXUUOGU-UHFFFAOYSA-N 2 0 263.385 1.522 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]CCCC[NH+]1CCCC1 ZINC001252483522 951346650 /nfs/dbraw/zinc/34/66/50/951346650.db2.gz VJMIOIPOCLRCHG-AWEZNQCLSA-N 2 0 256.390 1.016 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001252604635 951500109 /nfs/dbraw/zinc/50/01/09/951500109.db2.gz WGFKPENISQRCMQ-QLFBSQMISA-N 2 0 252.402 1.587 20 30 CDEDRP C#CCCC1(CC[NH2+]C[C@@H](O)C[NH+](CC)CC)N=N1 ZINC001253216617 951818899 /nfs/dbraw/zinc/81/88/99/951818899.db2.gz OXDWVZCXPRAYBF-CYBMUJFWSA-N 2 0 266.389 1.244 20 30 CDEDRP C=C[C@H](O)C[NH2+]Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001253597610 951986300 /nfs/dbraw/zinc/98/63/00/951986300.db2.gz GNIHQFXLYOXUOI-INIZCTEOSA-N 2 0 275.396 1.075 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001480620433 971812063 /nfs/dbraw/zinc/81/20/63/971812063.db2.gz VJGKLRDVHJYEBD-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001494140662 972185501 /nfs/dbraw/zinc/18/55/01/972185501.db2.gz JFLXOELFCJJSRD-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP C#CC[C@H](CCOC)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001335330191 959720262 /nfs/dbraw/zinc/72/02/62/959720262.db2.gz RFAKCOMJMYBLSR-RBSFLKMASA-N 2 0 250.386 1.631 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340028203 962694314 /nfs/dbraw/zinc/69/43/14/962694314.db2.gz YWTFMKVWUGBZRB-QLFBSQMISA-N 2 0 297.443 1.286 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC001340805808 963134067 /nfs/dbraw/zinc/13/40/67/963134067.db2.gz AVYXULYSABPHOC-KBPBESRZSA-N 2 0 267.417 1.661 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1CC([NH2+]C)C1)C(C)C ZINC001353482672 968007467 /nfs/dbraw/zinc/00/74/67/968007467.db2.gz OGVFBKDKBFSEEG-GPANFISMSA-N 2 0 293.455 1.799 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C)CC[NH+](CC)CC ZINC001353531158 968050596 /nfs/dbraw/zinc/05/05/96/968050596.db2.gz INKFESPATYTOFP-ZDUSSCGKSA-N 2 0 255.406 1.341 20 30 CDEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC2=[NH+]CCN2C)C1 ZINC000848990017 969385547 /nfs/dbraw/zinc/38/55/47/969385547.db2.gz RZOGSJSBKWUNRU-OKILXGFUSA-N 2 0 266.433 1.636 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001357991793 969676937 /nfs/dbraw/zinc/67/69/37/969676937.db2.gz DQKQPNXVROQJHA-CRWXNKLISA-N 2 0 265.401 1.317 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](C)CC1 ZINC001521518731 970309140 /nfs/dbraw/zinc/30/91/40/970309140.db2.gz HLHMMGLXKKFFNU-CYBMUJFWSA-N 2 0 253.390 1.223 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CC=C)CC1 ZINC001495592534 972546699 /nfs/dbraw/zinc/54/66/99/972546699.db2.gz GSWDIVAYZJTOPG-MRXNPFEDSA-N 2 0 289.423 1.098 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376391476 974648232 /nfs/dbraw/zinc/64/82/32/974648232.db2.gz INOKCPKSWTZDAJ-LBPRGKRZSA-N 2 0 285.819 1.271 20 30 CDEDRP C#CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH2+]CC1 ZINC001574583079 1170993574 /nfs/dbraw/zinc/99/35/74/1170993574.db2.gz DCCSKTKLPKRWAJ-GOEBONIOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[C@]1(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)CCC[NH2+]1 ZINC001574893054 1171040965 /nfs/dbraw/zinc/04/09/65/1171040965.db2.gz NXJNGXSRBAXJKR-WOSRLPQWSA-N 2 0 279.428 1.530 20 30 CDEDRP CN(Cc1cnc2c(C#N)cnn2c1)C[C@H]1CCC[N@H+](C)C1 ZINC000592497831 342697356 /nfs/dbraw/zinc/69/73/56/342697356.db2.gz AGPQXKSOKTTXJQ-ZDUSSCGKSA-N 2 0 298.394 1.375 20 30 CDEDRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000595944672 343205236 /nfs/dbraw/zinc/20/52/36/343205236.db2.gz UVHBQCLTYODAGV-KBPBESRZSA-N 2 0 280.416 1.244 20 30 CDEDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000619672060 349847149 /nfs/dbraw/zinc/84/71/49/349847149.db2.gz WJPVDYDKUYLEPR-ZIAGYGMSSA-N 2 0 264.417 1.294 20 30 CDEDRP COCC[N@H+](C)CCC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602511755 344459096 /nfs/dbraw/zinc/45/90/96/344459096.db2.gz RJBYFWMNWAKQDM-HNNXBMFYSA-N 2 0 297.443 1.643 20 30 CDEDRP N#Cc1cccc(OCCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000610786243 346417290 /nfs/dbraw/zinc/41/72/90/346417290.db2.gz XSVQZSWVULOWCD-GASCZTMLSA-N 2 0 271.364 1.478 20 30 CDEDRP C[C@H]([NH2+]C1CCN(CC#N)CC1)C1CC[NH+](C)CC1 ZINC000610813614 346444641 /nfs/dbraw/zinc/44/46/41/346444641.db2.gz MNMADWNPWOOKDW-ZDUSSCGKSA-N 2 0 264.417 1.294 20 30 CDEDRP C#C[C@@H](CCC)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000491640678 347585344 /nfs/dbraw/zinc/58/53/44/347585344.db2.gz YRLNMIBSTCTQEI-QWHCGFSZSA-N 2 0 250.390 1.387 20 30 CDEDRP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C)C2)cc1OC ZINC000264071000 362957783 /nfs/dbraw/zinc/95/77/83/362957783.db2.gz DDUHTEABDZKICS-LLVKDONJSA-N 2 0 292.383 1.382 20 30 CDEDRP CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])NC)cc1 ZINC000264074655 362959815 /nfs/dbraw/zinc/95/98/15/362959815.db2.gz FHQSAEGOKGUFCL-UHFFFAOYSA-N 2 0 278.400 1.441 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629576846 363035610 /nfs/dbraw/zinc/03/56/10/363035610.db2.gz DFXSZYKIYWAFGY-KKUMJFAQSA-N 2 0 268.401 1.014 20 30 CDEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)o1 ZINC000185870239 357587182 /nfs/dbraw/zinc/58/71/82/357587182.db2.gz PCJOQVWHFIQBQK-CYBMUJFWSA-N 2 0 276.384 1.267 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000247241818 361044823 /nfs/dbraw/zinc/04/48/23/361044823.db2.gz DHKXCOZLBYPCMV-GDBMZVCRSA-N 2 0 291.439 1.130 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@@H]1CC[NH2+]C1)C(C)C ZINC000130457490 368831537 /nfs/dbraw/zinc/83/15/37/368831537.db2.gz SNKMFGRHHQXYFY-JKSUJKDBSA-N 2 0 293.455 1.801 20 30 CDEDRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)CN(C)CCC#N)CC1 ZINC000565416307 370441348 /nfs/dbraw/zinc/44/13/48/370441348.db2.gz CCMWPXKVONVZKG-MRXNPFEDSA-N 2 0 296.459 1.047 20 30 CDEDRP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1C#N ZINC000189587663 377334876 /nfs/dbraw/zinc/33/48/76/377334876.db2.gz WHXUCGJUSATBBX-GFCCVEGCSA-N 2 0 258.369 1.471 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000417546392 377933316 /nfs/dbraw/zinc/93/33/16/377933316.db2.gz ZIHAZHCFLUGYSZ-INIZCTEOSA-N 2 0 294.443 1.407 20 30 CDEDRP N#Cc1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423105561 390821236 /nfs/dbraw/zinc/82/12/36/390821236.db2.gz QTVCOHLJSCKKQX-XYPWUTKMSA-N 2 0 255.365 1.973 20 30 CDEDRP CN(C)C(=[NH+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000195290764 391025431 /nfs/dbraw/zinc/02/54/31/391025431.db2.gz GEJVGRISELGUOK-MRXNPFEDSA-N 2 0 288.439 1.988 20 30 CDEDRP C[NH+](C)Cc1cc(CNC(=[NH2+])N2CCOCC2)ccc1F ZINC000267471450 391197762 /nfs/dbraw/zinc/19/77/62/391197762.db2.gz XTPGYNDQZYEHQW-UHFFFAOYSA-N 2 0 294.374 1.034 20 30 CDEDRP C=CCC[C@H](O)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000363879043 391271674 /nfs/dbraw/zinc/27/16/74/391271674.db2.gz JJELNTPXSUKVHD-IRXDYDNUSA-N 2 0 295.471 1.414 20 30 CDEDRP CC[NH+]=C(NCc1ccoc1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261728406 391686086 /nfs/dbraw/zinc/68/60/86/391686086.db2.gz JDWGLNKQTMDNCJ-SWLSCSKDSA-N 2 0 290.411 1.817 20 30 CDEDRP CN1CC[NH+]=C1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000262687734 391812820 /nfs/dbraw/zinc/81/28/20/391812820.db2.gz ZAYDPDKZMYTDHD-CYBMUJFWSA-N 2 0 292.452 1.851 20 30 CDEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000345116405 392019770 /nfs/dbraw/zinc/01/97/70/392019770.db2.gz VUEBXSDWLMUPJY-GASCZTMLSA-N 2 0 294.443 1.553 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000648773484 393324168 /nfs/dbraw/zinc/32/41/68/393324168.db2.gz MFDFJRFJUJCMLZ-TZMCWYRMSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000662299894 414626206 /nfs/dbraw/zinc/62/62/06/414626206.db2.gz YUSVWFHTUKOLJN-CQSZACIVSA-N 2 0 265.401 1.096 20 30 CDEDRP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])C1=O ZINC000662314432 414633392 /nfs/dbraw/zinc/63/33/92/414633392.db2.gz DBSLVBXDXJHCRI-RBSFLKMASA-N 2 0 279.428 1.613 20 30 CDEDRP CCNC(NCc1ccnc(OCC[NH+](C)C)c1)=[NH+]CC ZINC000270547668 262989360 /nfs/dbraw/zinc/98/93/60/262989360.db2.gz FGXDANGTZCLTLJ-UHFFFAOYSA-N 2 0 293.415 1.097 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[NH2+][C@H]2CC)CC1 ZINC000353441871 263056220 /nfs/dbraw/zinc/05/62/20/263056220.db2.gz FNJAXZIOOAHPFC-KGLIPLIRSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1(F)CC[NH2+]C1)C(C)C ZINC000165202688 264210148 /nfs/dbraw/zinc/21/01/48/264210148.db2.gz DECRTHGWCBRROR-ZBFHGGJFSA-N 2 0 297.418 1.503 20 30 CDEDRP CS[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](SC)C2)C1 ZINC000560297443 327297065 /nfs/dbraw/zinc/29/70/65/327297065.db2.gz LURWTZSJTAUVAX-KBPBESRZSA-N 2 0 284.494 1.864 20 30 CDEDRP C[C@@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)N1CC[NH+](C)CC1 ZINC000185822350 329329924 /nfs/dbraw/zinc/32/99/24/329329924.db2.gz ZYCJCKYQBAYGKL-KKUMJFAQSA-N 2 0 264.417 1.294 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCOC[C@H]1C ZINC000262638569 330023990 /nfs/dbraw/zinc/02/39/90/330023990.db2.gz HGVOBWOZIBPHAA-MGPQQGTHSA-N 2 0 282.432 1.048 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000263154262 330046362 /nfs/dbraw/zinc/04/63/62/330046362.db2.gz MOAGURMEFUTSTE-SYQHCUMBSA-N 2 0 296.459 1.435 20 30 CDEDRP C=C[C@H](CO)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423121360 330170998 /nfs/dbraw/zinc/17/09/98/330170998.db2.gz ILZSTJGUKFKGJS-INWMFGNUSA-N 2 0 274.364 1.379 20 30 CDEDRP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424135418 330270426 /nfs/dbraw/zinc/27/04/26/330270426.db2.gz MGVAFUSDXIOCJU-CABCVRRESA-N 2 0 288.395 1.427 20 30 CDEDRP C#CCC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001754448482 1159212699 /nfs/dbraw/zinc/21/26/99/1159212699.db2.gz ZYPVBBRYBFFHST-OAHLLOKOSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000236663302 482598110 /nfs/dbraw/zinc/59/81/10/482598110.db2.gz YVGOYQPIPIDTPK-PMPSAXMXSA-N 2 0 293.455 1.929 20 30 CDEDRP C#CCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000764230524 575893823 /nfs/dbraw/zinc/89/38/23/575893823.db2.gz BSZRYDDMTHEWGK-HZPDHXFCSA-N 2 0 263.429 1.500 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000763928419 576766177 /nfs/dbraw/zinc/76/61/77/576766177.db2.gz CPMTYLRLTIPINE-LBPRGKRZSA-N 2 0 281.425 1.585 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCCC[NH+]1CCCCCC1 ZINC000763972235 576769588 /nfs/dbraw/zinc/76/95/88/576769588.db2.gz MMYWDSPDOURIRR-UHFFFAOYSA-N 2 0 267.417 1.487 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CC=C)C2)CC1 ZINC000980479968 613129815 /nfs/dbraw/zinc/12/98/15/613129815.db2.gz ZPYIMNJFXSIQKF-INIZCTEOSA-N 2 0 289.423 1.050 20 30 CDEDRP C=C(C)CC[NH+]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000981957300 613252156 /nfs/dbraw/zinc/25/21/56/613252156.db2.gz HLJRJLCSLWNZLX-INIZCTEOSA-N 2 0 293.455 1.829 20 30 CDEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000970928479 613298824 /nfs/dbraw/zinc/29/88/24/613298824.db2.gz LJVBLSGXDPVJNM-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977600555 613338345 /nfs/dbraw/zinc/33/83/45/613338345.db2.gz NXZJKXMBJPYHNJ-UONOGXRCSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000963632172 613347010 /nfs/dbraw/zinc/34/70/10/613347010.db2.gz PLZXWTMMJCRXIC-UKEPKTAJSA-N 2 0 291.439 1.674 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000967925333 613384961 /nfs/dbraw/zinc/38/49/61/613384961.db2.gz NWPKQCOBRJKOSC-NEPJUHHUSA-N 2 0 271.792 1.024 20 30 CDEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000969676970 613482562 /nfs/dbraw/zinc/48/25/62/613482562.db2.gz KNSYDKFRUQEWHC-CZUORRHYSA-N 2 0 291.439 1.341 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000972485554 613611346 /nfs/dbraw/zinc/61/13/46/613611346.db2.gz LXLWBMXWYFAJAO-OAHLLOKOSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000971641849 613617746 /nfs/dbraw/zinc/61/77/46/613617746.db2.gz OLAPVKYRXKSCNE-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000971843067 613630410 /nfs/dbraw/zinc/63/04/10/613630410.db2.gz FTEQKWLQSMPVDD-HOTGVXAUSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968332398 613771644 /nfs/dbraw/zinc/77/16/44/613771644.db2.gz WCRBECAOTPJCEN-LSDHHAIUSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000961949333 613839010 /nfs/dbraw/zinc/83/90/10/613839010.db2.gz VDAKQLOHTSOUJE-XUWVNRHRSA-N 2 0 291.439 1.482 20 30 CDEDRP CN1CC[NH+](CCCC[NH2+]CC#Cc2ccccc2)CC1 ZINC000892564009 617507012 /nfs/dbraw/zinc/50/70/12/617507012.db2.gz ZTNUGWDBEPDSAJ-UHFFFAOYSA-N 2 0 285.435 1.655 20 30 CDEDRP CCc1c[nH]c2ncnc(NCC#CC[NH+](C)C)c12 ZINC000894872511 619112891 /nfs/dbraw/zinc/11/28/91/619112891.db2.gz JVWFJCRSJJNPFC-UHFFFAOYSA-N 2 0 257.341 1.449 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000911735243 629456856 /nfs/dbraw/zinc/45/68/56/629456856.db2.gz VSSYTAOETRIESZ-HNNXBMFYSA-N 2 0 275.396 1.488 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC(=O)OC(C)C ZINC000154576830 632302708 /nfs/dbraw/zinc/30/27/08/632302708.db2.gz FAPFVTPHQZLKAR-CYBMUJFWSA-N 2 0 298.431 1.107 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)Cn1cnc2c1CCCC2 ZINC001131417572 1162902011 /nfs/dbraw/zinc/90/20/11/1162902011.db2.gz CYNQWGHVVBEHJW-UHFFFAOYSA-N 2 0 296.802 1.220 20 30 CDEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133090486 1163567762 /nfs/dbraw/zinc/56/77/62/1163567762.db2.gz ITGISBVBRAJCRF-JKSUJKDBSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001133191781 1163602437 /nfs/dbraw/zinc/60/24/37/1163602437.db2.gz SYNIGQBPNTVZSX-GJZGRUSLSA-N 2 0 281.444 1.588 20 30 CDEDRP C#CC[C@]1(C(=O)N2CCC(CC[NH+](C)C)CC2)CCC[NH2+]1 ZINC001574517324 1170991389 /nfs/dbraw/zinc/99/13/89/1170991389.db2.gz MFNYFWYWYSVDPT-QGZVFWFLSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)C[C@@H]([NH3+])CC(C)C)CC1 ZINC001574836588 1171022294 /nfs/dbraw/zinc/02/22/94/1171022294.db2.gz QDQCZLMRZQVFNS-AWEZNQCLSA-N 2 0 281.444 1.907 20 30 CDEDRP C=CC1(CC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C[NH2+]C1 ZINC001574881014 1171036735 /nfs/dbraw/zinc/03/67/35/1171036735.db2.gz XGMCDLCECBOYEH-HNNXBMFYSA-N 2 0 293.455 1.779 20 30 CDEDRP Cn1ncc(C[NH3+])c1C[NH2+]Cc1ccc(C#N)s1 ZINC001580002374 1172321177 /nfs/dbraw/zinc/32/11/77/1172321177.db2.gz PZLSYHPCMPFZLD-UHFFFAOYSA-N 2 0 261.354 1.102 20 30 CDEDRP C[NH+](C)C[C@](C)(O)C[NH2+]C1CCC(C)(C#N)CC1 ZINC001620871744 1173376325 /nfs/dbraw/zinc/37/63/25/1173376325.db2.gz OQNNCFDRJIHFBA-JXQTWKCFSA-N 2 0 253.390 1.361 20 30 CDEDRP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001691979337 1175662176 /nfs/dbraw/zinc/66/21/76/1175662176.db2.gz JHVHQYFHULDGHU-JKSUJKDBSA-N 2 0 293.455 1.376 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001713220270 1178438060 /nfs/dbraw/zinc/43/80/60/1178438060.db2.gz IBBWCOYQPIHHKJ-GJZGRUSLSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001713408345 1178542888 /nfs/dbraw/zinc/54/28/88/1178542888.db2.gz MLVIUEVQBDOMLI-SOUVJXGZSA-N 2 0 281.444 1.777 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001733921751 1183569092 /nfs/dbraw/zinc/56/90/92/1183569092.db2.gz UDNNQGGEIUFZCM-HOTGVXAUSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)CCC[NH+](C)C)C1 ZINC001753329150 1183978920 /nfs/dbraw/zinc/97/89/20/1183978920.db2.gz VRVCGSDMZNXFQE-HNNXBMFYSA-N 2 0 281.444 1.827 20 30 CDEDRP C=CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001752840133 1184928320 /nfs/dbraw/zinc/92/83/20/1184928320.db2.gz HACKNYLGOOMDQI-CABCVRRESA-N 2 0 281.444 1.731 20 30 CDEDRP C=CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001753197329 1185113667 /nfs/dbraw/zinc/11/36/67/1185113667.db2.gz WHVJHSBSWCOSOY-HNNXBMFYSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCC[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001753281076 1185141596 /nfs/dbraw/zinc/14/15/96/1185141596.db2.gz SITIVSZWLNSXNP-OAHLLOKOSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CCC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001753576017 1185257393 /nfs/dbraw/zinc/25/73/93/1185257393.db2.gz YYOVAXUVKNSXTK-INIZCTEOSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001753993374 1185421115 /nfs/dbraw/zinc/42/11/15/1185421115.db2.gz SWWDBLSZKHHDSO-LSDHHAIUSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]C/C=C\Cl)CC1 ZINC001754254435 1185532603 /nfs/dbraw/zinc/53/26/03/1185532603.db2.gz BJWOTLMFQWPHSU-LLPBQKLSSA-N 2 0 297.830 1.178 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001754556691 1185665327 /nfs/dbraw/zinc/66/53/27/1185665327.db2.gz GAHYDYFBKHLUHF-QGZVFWFLSA-N 2 0 291.439 1.276 20 30 CDEDRP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CC=C)CC1 ZINC001754636393 1185690421 /nfs/dbraw/zinc/69/04/21/1185690421.db2.gz XIBLXDVVTMPZBB-INIZCTEOSA-N 2 0 289.423 1.193 20 30 CDEDRP C=CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1CCCC1 ZINC001754656083 1185693826 /nfs/dbraw/zinc/69/38/26/1185693826.db2.gz KRZHWAKEGLXOCE-OAHLLOKOSA-N 2 0 281.444 1.777 20 30 CDEDRP C#CC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001755413592 1185945627 /nfs/dbraw/zinc/94/56/27/1185945627.db2.gz YOXICWGKFBLDSN-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001755743452 1186055107 /nfs/dbraw/zinc/05/51/07/1186055107.db2.gz IZCMFSHDNUFEFZ-GJZGRUSLSA-N 2 0 291.439 1.226 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001755745735 1186056490 /nfs/dbraw/zinc/05/64/90/1186056490.db2.gz CSUNJFVXCYDYAP-CABCVRRESA-N 2 0 291.439 1.533 20 30 CDEDRP C=CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C ZINC001755831790 1186083389 /nfs/dbraw/zinc/08/33/89/1186083389.db2.gz YQXJRIVDPKNAJJ-CQSZACIVSA-N 2 0 281.444 1.635 20 30 CDEDRP C#CC[NH2+]CC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000379663633 1187261003 /nfs/dbraw/zinc/26/10/03/1187261003.db2.gz MCWACVWUDQBWGJ-OAHLLOKOSA-N 2 0 287.407 1.236 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133690062 1163853141 /nfs/dbraw/zinc/85/31/41/1163853141.db2.gz HIWLEBXJUYHHEG-CYBMUJFWSA-N 2 0 255.406 1.389 20 30 CDEDRP C[NH+]=C(NCCC[N@@H+]1CCCC[C@H]1C)NC1CC1 ZINC000848982390 730435875 /nfs/dbraw/zinc/43/58/75/730435875.db2.gz OWFMQXPNUAAVSO-GFCCVEGCSA-N 2 0 252.406 1.578 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001020541696 730441650 /nfs/dbraw/zinc/44/16/50/730441650.db2.gz KDUBZZJZJQSWRJ-JOCQHMNTSA-N 2 0 285.819 1.318 20 30 CDEDRP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001052498932 730443687 /nfs/dbraw/zinc/44/36/87/730443687.db2.gz KVBMOKDYPWLKJV-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001017957841 730464247 /nfs/dbraw/zinc/46/42/47/730464247.db2.gz VZCSZSJVDUHNTJ-XHSDSOJGSA-N 2 0 293.455 1.968 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC001044820985 730469262 /nfs/dbraw/zinc/46/92/62/730469262.db2.gz DYDRHZZWMCFPTM-GJZGRUSLSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001027461805 730486523 /nfs/dbraw/zinc/48/65/23/730486523.db2.gz PODCJMQXEDJYII-HUUCEWRRSA-N 2 0 281.444 1.826 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001023446836 730601227 /nfs/dbraw/zinc/60/12/27/730601227.db2.gz YZOANTYDXGUHKW-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033318421 730611239 /nfs/dbraw/zinc/61/12/39/730611239.db2.gz JLAWANXQFJZWLL-HNNXBMFYSA-N 2 0 293.455 1.970 20 30 CDEDRP CC(C)CC[NH+]1CCC(CNC(=[NH2+])N(C)C)CC1 ZINC000079918227 730667880 /nfs/dbraw/zinc/66/78/80/730667880.db2.gz WXVZIUPDBCEINW-UHFFFAOYSA-N 2 0 254.422 1.621 20 30 CDEDRP C=CC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001049058391 730689176 /nfs/dbraw/zinc/68/91/76/730689176.db2.gz XSWCHTIWPYTATF-SOUVJXGZSA-N 2 0 277.412 1.047 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000997086633 730706214 /nfs/dbraw/zinc/70/62/14/730706214.db2.gz AIEACVIXPDXRFT-HZPDHXFCSA-N 2 0 289.423 1.217 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC[C@H](C)C[NH+](C)C ZINC000849030692 730737454 /nfs/dbraw/zinc/73/74/54/730737454.db2.gz SEFROUQOKQRCRL-NSHDSACASA-N 2 0 252.362 1.142 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001033774426 730939242 /nfs/dbraw/zinc/93/92/42/730939242.db2.gz JJAUDZDFFARWCM-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(C(C)C)CC1 ZINC000304847896 730991006 /nfs/dbraw/zinc/99/10/06/730991006.db2.gz OVGCHMLDUWHXPQ-ZDUSSCGKSA-N 2 0 266.433 1.811 20 30 CDEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001045553758 730992690 /nfs/dbraw/zinc/99/26/90/730992690.db2.gz DMRRNTNWVBOZEA-CABCVRRESA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC000992193279 731037415 /nfs/dbraw/zinc/03/74/15/731037415.db2.gz VAKMZJQOQUKJHO-ZMSDIMECSA-N 2 0 289.423 1.075 20 30 CDEDRP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834493663 731050356 /nfs/dbraw/zinc/05/03/56/731050356.db2.gz GLNVUWVZUQPNGB-KGLIPLIRSA-N 2 0 280.416 1.116 20 30 CDEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)Cn3ccnc3C)CCC[C@H]12 ZINC000992478508 731057298 /nfs/dbraw/zinc/05/72/98/731057298.db2.gz PTLBOHYVIQTQFR-GOEBONIOSA-N 2 0 288.395 1.491 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000989518979 731082077 /nfs/dbraw/zinc/08/20/77/731082077.db2.gz JKNZYCQKHRUUMJ-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP N#Cc1ccc(N2CC[NH+](CCC3CC[NH2+]CC3)CC2)cn1 ZINC000872146332 731106617 /nfs/dbraw/zinc/10/66/17/731106617.db2.gz LLZYRYKHUSCTNT-UHFFFAOYSA-N 2 0 299.422 1.465 20 30 CDEDRP C[NH+]=C(NCC(C)(C)OC)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261983616 731118917 /nfs/dbraw/zinc/11/89/17/731118917.db2.gz PNIRWWPSFSGUOY-WCQYABFASA-N 2 0 282.432 1.059 20 30 CDEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001026149201 731128481 /nfs/dbraw/zinc/12/84/81/731128481.db2.gz WRBSDNHNKDLMPK-NBFUAULTSA-N 2 0 291.439 1.482 20 30 CDEDRP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001052713537 731182402 /nfs/dbraw/zinc/18/24/02/731182402.db2.gz ZQFWSBCRZDNAEJ-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001033413194 731190710 /nfs/dbraw/zinc/19/07/10/731190710.db2.gz FAGQGMLSFNRLDS-STQMWFEESA-N 2 0 288.395 1.548 20 30 CDEDRP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033358628 731283890 /nfs/dbraw/zinc/28/38/90/731283890.db2.gz NLLHAOXKURAISN-JYJNAYRXSA-N 2 0 293.455 1.826 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001004207454 731308000 /nfs/dbraw/zinc/30/80/00/731308000.db2.gz WFIMTCHIBWEGNT-GJZGRUSLSA-N 2 0 291.439 1.463 20 30 CDEDRP N#Cc1ccc(NCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000927163527 731361064 /nfs/dbraw/zinc/36/10/64/731361064.db2.gz KXFGJEDEPFCCDB-HUUCEWRRSA-N 2 0 285.395 1.582 20 30 CDEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC000985693690 731370906 /nfs/dbraw/zinc/37/09/06/731370906.db2.gz DEPWCESLDHVCGC-ZDUSSCGKSA-N 2 0 288.395 1.144 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001049891720 731482062 /nfs/dbraw/zinc/48/20/62/731482062.db2.gz WZZIOACNCJXTRE-QLFBSQMISA-N 2 0 277.412 1.189 20 30 CDEDRP C=CCN(CC=C)[C@@H](CNC(=[NH2+])N1CCC1)C(C)C ZINC000848991588 731571984 /nfs/dbraw/zinc/57/19/84/731571984.db2.gz RUADHQDISNYWEB-AWEZNQCLSA-N 2 0 264.417 1.915 20 30 CDEDRP C=CCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001038621633 731644141 /nfs/dbraw/zinc/64/41/41/731644141.db2.gz GADZWZSXOMEABY-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001052499108 731738169 /nfs/dbraw/zinc/73/81/69/731738169.db2.gz NYKJIRFADIPPRP-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC001052458314 731770350 /nfs/dbraw/zinc/77/03/50/731770350.db2.gz BBFBFBIXWGDUEE-HOTGVXAUSA-N 2 0 291.439 1.463 20 30 CDEDRP CC(=NNC1=[NH+]C[C@H](C)N1)c1ccc(C[NH+](C)C)cc1 ZINC000814898460 731802572 /nfs/dbraw/zinc/80/25/72/731802572.db2.gz SWRUFAXIIGFLBU-NSHDSACASA-N 2 0 273.384 1.410 20 30 CDEDRP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000304758495 731860324 /nfs/dbraw/zinc/86/03/24/731860324.db2.gz QDDSFCSLCWJKGY-OLZOCXBDSA-N 2 0 252.406 1.375 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033182875 731862498 /nfs/dbraw/zinc/86/24/98/731862498.db2.gz SUIWFJQIAVVPAF-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034129490 731865736 /nfs/dbraw/zinc/86/57/36/731865736.db2.gz BUEWOTFMRMHNMJ-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001033127596 731867270 /nfs/dbraw/zinc/86/72/70/731867270.db2.gz WIPYQAOJJHUVRS-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034401012 731891244 /nfs/dbraw/zinc/89/12/44/731891244.db2.gz ZTLWPHRXESULPJ-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)SC ZINC000130688061 731909004 /nfs/dbraw/zinc/90/90/04/731909004.db2.gz DBTDTWONIPRVOZ-GHMZBOCLSA-N 2 0 258.435 1.127 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001031916589 731970820 /nfs/dbraw/zinc/97/08/20/731970820.db2.gz BTKQQLQWVZPHLE-INIZCTEOSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2ccnc2)C1 ZINC000989853780 731975728 /nfs/dbraw/zinc/97/57/28/731975728.db2.gz NNMZWXZVQMLOOY-OLZOCXBDSA-N 2 0 262.357 1.038 20 30 CDEDRP CCC(CC)[C@H](CNC(NC)=[NH+]C)[NH+]1CCCC1 ZINC000303256606 732029753 /nfs/dbraw/zinc/02/97/53/732029753.db2.gz IHTYFRLZSHNWEW-ZDUSSCGKSA-N 2 0 254.422 1.682 20 30 CDEDRP C[NH+](C)CC1(CNC(=[NH2+])Nc2ccccn2)CCCC1 ZINC000183833709 732117946 /nfs/dbraw/zinc/11/79/46/732117946.db2.gz QFLQUZCHUGAWOI-UHFFFAOYSA-N 2 0 275.400 1.930 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH+]1CCC[C@@H](C)C1 ZINC000303878969 732152644 /nfs/dbraw/zinc/15/26/44/732152644.db2.gz GHDZJPQIKQWAKQ-HUUCEWRRSA-N 3 0 295.475 1.107 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001036896879 732187916 /nfs/dbraw/zinc/18/79/16/732187916.db2.gz VYDXODAIQAETKW-CVEARBPZSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@H]2C1 ZINC001049233345 732205512 /nfs/dbraw/zinc/20/55/12/732205512.db2.gz MMWDYFILBCWLNO-OWCLPIDISA-N 2 0 291.439 1.437 20 30 CDEDRP CC(C)CCNC(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C ZINC000303779844 732351153 /nfs/dbraw/zinc/35/11/53/732351153.db2.gz KWHNXOOMWWWZTG-ZDUSSCGKSA-N 2 0 256.438 1.913 20 30 CDEDRP C[C@H](CNC(=[NH2+])NCC1CCC1)[N@@H+]1CCCC[C@H]1C ZINC000261964232 732395142 /nfs/dbraw/zinc/39/51/42/732395142.db2.gz AOUTZNQXBHBODM-CHWSQXEVSA-N 2 0 266.433 1.954 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)N1 ZINC000848989770 732401402 /nfs/dbraw/zinc/40/14/02/732401402.db2.gz ADURZWMSLXACIR-HZSPNIEDSA-N 2 0 266.433 1.682 20 30 CDEDRP C#C[C@@H](C)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000820427938 732447458 /nfs/dbraw/zinc/44/74/58/732447458.db2.gz MIWYESYGQRJZAB-HUUCEWRRSA-N 2 0 294.443 1.066 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000989113471 732632194 /nfs/dbraw/zinc/63/21/94/732632194.db2.gz SXYNZMXFBMMKPC-OCCSQVGLSA-N 2 0 284.363 1.713 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000987352608 732759531 /nfs/dbraw/zinc/75/95/31/732759531.db2.gz AKSWGDOYJGSILN-OLZOCXBDSA-N 2 0 297.830 1.414 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033580437 732811846 /nfs/dbraw/zinc/81/18/46/732811846.db2.gz DUARSUGWHFOYNQ-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1(C)C ZINC000995880223 732837391 /nfs/dbraw/zinc/83/73/91/732837391.db2.gz JFTFWPUSGUZNCR-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(Cl)CN1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001028447278 732852953 /nfs/dbraw/zinc/85/29/53/732852953.db2.gz OKLLNPSXNZCPCD-QWHCGFSZSA-N 2 0 285.819 1.271 20 30 CDEDRP C[C@H]1CCCN(C(=[NH2+])NCC[N@H+](C)C2CCCC2)C1 ZINC000304764132 732868798 /nfs/dbraw/zinc/86/87/98/732868798.db2.gz XQNQIKRKBBYGCJ-ZDUSSCGKSA-N 2 0 266.433 1.907 20 30 CDEDRP C=CC(C)(C)CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000849036166 732886581 /nfs/dbraw/zinc/88/65/81/732886581.db2.gz UWBBKHSROFGGLB-LBPRGKRZSA-N 2 0 252.406 1.797 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000997363627 733035056 /nfs/dbraw/zinc/03/50/56/733035056.db2.gz HZSCWJJTVCAJIQ-HNNXBMFYSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001028636233 733038302 /nfs/dbraw/zinc/03/83/02/733038302.db2.gz MMSIGLCKINPUCX-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046318328 733065728 /nfs/dbraw/zinc/06/57/28/733065728.db2.gz KLONBJGKLHLLME-NVXWUHKLSA-N 2 0 291.439 1.485 20 30 CDEDRP COc1ccc(OC)c(NC(=[NH2+])NCC(C)(C)[NH+](C)C)c1 ZINC000303789010 733077432 /nfs/dbraw/zinc/07/74/32/733077432.db2.gz UYRPIFVTUPEBPY-UHFFFAOYSA-N 2 0 294.399 1.771 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001000221151 733138171 /nfs/dbraw/zinc/13/81/71/733138171.db2.gz VZTNAIJPGQCMLE-KGLIPLIRSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001072982078 733156860 /nfs/dbraw/zinc/15/68/60/733156860.db2.gz YVCLRKDZQVMMDP-CABCVRRESA-N 2 0 291.439 1.295 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001202528333 1165073961 /nfs/dbraw/zinc/07/39/61/1165073961.db2.gz CKNCVTJYBVAHBT-KRWDZBQOSA-N 2 0 293.455 1.315 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001095057237 912293859 /nfs/dbraw/zinc/29/38/59/912293859.db2.gz NCQTZLMJJJJCAW-JYJNAYRXSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001266439194 894896517 /nfs/dbraw/zinc/89/65/17/894896517.db2.gz JNAJIVUVUGWYEZ-HUUCEWRRSA-N 2 0 281.444 1.633 20 30 CDEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106599517 914057138 /nfs/dbraw/zinc/05/71/38/914057138.db2.gz JTOVGFAWWHGPRX-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621335 914072787 /nfs/dbraw/zinc/07/27/87/914072787.db2.gz FYYXGUMOJUPHMR-GDBMZVCRSA-N 2 0 293.455 1.588 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001176844015 914268698 /nfs/dbraw/zinc/26/86/98/914268698.db2.gz DUHOZDAUFNWUHN-STQMWFEESA-N 2 0 287.835 1.708 20 30 CDEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001105067009 899847221 /nfs/dbraw/zinc/84/72/21/899847221.db2.gz IXWISVKRRRDOGA-HZPDHXFCSA-N 2 0 293.455 1.424 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106840110 914417323 /nfs/dbraw/zinc/41/73/23/914417323.db2.gz YLFSUHIUWKCBRM-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087796575 905851162 /nfs/dbraw/zinc/85/11/62/905851162.db2.gz GPBBVWFRJSUMBY-OWCLPIDISA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087828429 905882039 /nfs/dbraw/zinc/88/20/39/905882039.db2.gz KZGGFRUYKPGCLG-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H](C)CC)C1 ZINC001032837125 921300566 /nfs/dbraw/zinc/30/05/66/921300566.db2.gz CDYUFMLTUBWSPK-XHSDSOJGSA-N 2 0 291.439 1.321 20 30 CDEDRP C[C@H](O)CN(C)[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841651395 907702620 /nfs/dbraw/zinc/70/26/20/907702620.db2.gz SGKQXTQVABFQPE-AWEZNQCLSA-N 2 0 290.411 1.085 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189470466 921493399 /nfs/dbraw/zinc/49/33/99/921493399.db2.gz IZOLBXSMMQTJLM-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001142590631 909522715 /nfs/dbraw/zinc/52/27/15/909522715.db2.gz JRTIVSBCZLRVGZ-ZDUSSCGKSA-N 2 0 253.390 1.093 20 30 CDEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093194026 909680799 /nfs/dbraw/zinc/68/07/99/909680799.db2.gz UIZFYQLHLXTAES-MRVWCRGKSA-N 2 0 299.846 1.375 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032958501 921519694 /nfs/dbraw/zinc/51/96/94/921519694.db2.gz AYYPWEADURKXBM-KGLIPLIRSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001180226658 916201955 /nfs/dbraw/zinc/20/19/55/916201955.db2.gz FSDKVQXWGVVMKX-GJZGRUSLSA-N 2 0 281.444 1.872 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000303893236 935047622 /nfs/dbraw/zinc/04/76/22/935047622.db2.gz RVMYCOCJKBMPQB-CHWSQXEVSA-N 2 0 270.421 1.046 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001052713310 936398515 /nfs/dbraw/zinc/39/85/15/936398515.db2.gz USJOPBVPMRTDBT-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032042839 917640240 /nfs/dbraw/zinc/64/02/40/917640240.db2.gz LPSUHYMUQKUREI-HOTGVXAUSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001183648749 918585358 /nfs/dbraw/zinc/58/53/58/918585358.db2.gz YRKGJSKAJKDSLF-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)CC1 ZINC001050664340 936562191 /nfs/dbraw/zinc/56/21/91/936562191.db2.gz MKNFUCSMLKLXGH-LSDHHAIUSA-N 2 0 291.439 1.295 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001185062233 919387985 /nfs/dbraw/zinc/38/79/85/919387985.db2.gz RJDMVLQXRUJOCH-GDBMZVCRSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001185091486 919399078 /nfs/dbraw/zinc/39/90/78/919399078.db2.gz WJZWKUSGQFKUQZ-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185248310 919498796 /nfs/dbraw/zinc/49/87/96/919498796.db2.gz BVRXTBIIPZVQSW-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001185548416 919647622 /nfs/dbraw/zinc/64/76/22/919647622.db2.gz MNRZMNNGWZVQBX-HOTGVXAUSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001185716431 919727012 /nfs/dbraw/zinc/72/70/12/919727012.db2.gz XUVNXZOIRWQJIF-OLZOCXBDSA-N 2 0 253.390 1.093 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187107239 920341486 /nfs/dbraw/zinc/34/14/86/920341486.db2.gz YFHIEEAFGKJJID-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001187322623 920468728 /nfs/dbraw/zinc/46/87/28/920468728.db2.gz PFAYMZHZLBMEBQ-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033219052 922070507 /nfs/dbraw/zinc/07/05/07/922070507.db2.gz XGJPZMTYSAWNLO-HZPDHXFCSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033219053 922071178 /nfs/dbraw/zinc/07/11/78/922071178.db2.gz XGJPZMTYSAWNLO-JKSUJKDBSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034132930 922512233 /nfs/dbraw/zinc/51/22/33/922512233.db2.gz VHKMFRYDLKPEJC-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001098843462 936765701 /nfs/dbraw/zinc/76/57/01/936765701.db2.gz CAQHJKIAXSJDFY-DLTWYDFYSA-N 2 0 291.439 1.483 20 30 CDEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111464313 936774938 /nfs/dbraw/zinc/77/49/38/936774938.db2.gz QWMZMXQLGIFZAA-KFWWJZLASA-N 2 0 279.428 1.624 20 30 CDEDRP C=C(C[NH+]1CCCCC1)C(=O)N1CC2(C1)CC[N@@H+](C)C2 ZINC001273147374 923361330 /nfs/dbraw/zinc/36/13/30/923361330.db2.gz XAFYARBBQIYHOX-UHFFFAOYSA-N 2 0 277.412 1.193 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000838622730 936884177 /nfs/dbraw/zinc/88/41/77/936884177.db2.gz KDWCJNGVFVBLLD-OAHLLOKOSA-N 2 0 294.443 1.114 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079726241 924413864 /nfs/dbraw/zinc/41/38/64/924413864.db2.gz JZRFQRHNWMNXDA-KLHDSHLOSA-N 2 0 293.455 1.729 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001080998126 924675535 /nfs/dbraw/zinc/67/55/35/924675535.db2.gz TZMCISRWWPVWOQ-OAGGEKHMSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCC[N@H+]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001196281941 924867957 /nfs/dbraw/zinc/86/79/57/924867957.db2.gz JRFMANBQOOISOH-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001082747282 924984352 /nfs/dbraw/zinc/98/43/52/924984352.db2.gz IYVLYRARWFXBSG-RTXFEEFZSA-N 2 0 287.835 1.516 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102290797 937050903 /nfs/dbraw/zinc/05/09/03/937050903.db2.gz VRTCKSOEYCLLAW-ZIAGYGMSSA-N 2 0 267.417 1.198 20 30 CDEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320413 937052223 /nfs/dbraw/zinc/05/22/23/937052223.db2.gz BEOVDENBHFRDKG-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366785 937053987 /nfs/dbraw/zinc/05/39/87/937053987.db2.gz QMGGDVPDPILODS-OWCLPIDISA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520806 937063577 /nfs/dbraw/zinc/06/35/77/937063577.db2.gz BMWCNRMJETYIDZ-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579213 937066244 /nfs/dbraw/zinc/06/62/44/937066244.db2.gz NPODKLJZMNTLIF-HZPDHXFCSA-N 2 0 293.455 1.733 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155015941 926398065 /nfs/dbraw/zinc/39/80/65/926398065.db2.gz DOCQJIHIELDSFT-CQSZACIVSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CC=C)C2)CC1 ZINC001086278052 926930074 /nfs/dbraw/zinc/93/00/74/926930074.db2.gz FOHFXGYZPBPPRF-FZNQNYSPSA-N 2 0 289.423 1.002 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001086382135 927050679 /nfs/dbraw/zinc/05/06/79/927050679.db2.gz UYDHMPRWZMIXPY-RBSFLKMASA-N 2 0 279.428 1.531 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001086416741 927100674 /nfs/dbraw/zinc/10/06/74/927100674.db2.gz FIHQKNPKTBCRIM-SHTZXODSSA-N 2 0 291.439 1.675 20 30 CDEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001103433487 937142022 /nfs/dbraw/zinc/14/20/22/937142022.db2.gz FTDRPAGKSKOLEK-OWCLPIDISA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104000126 937184238 /nfs/dbraw/zinc/18/42/38/937184238.db2.gz WMTOREGDSWJILS-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP COC(=O)C1(C#N)CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169161115 927792478 /nfs/dbraw/zinc/79/24/78/927792478.db2.gz OCOFVLIHLBRAQG-WDNDVIMCSA-N 2 0 291.395 1.390 20 30 CDEDRP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150194324 937222795 /nfs/dbraw/zinc/22/27/95/937222795.db2.gz RWHGPUWLLVWBRX-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001110684465 928204714 /nfs/dbraw/zinc/20/47/14/928204714.db2.gz LJKQDHGVFCYUST-JJXSEGSLSA-N 2 0 289.423 1.216 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001086533733 929097941 /nfs/dbraw/zinc/09/79/41/929097941.db2.gz YAYOEJGWYXLRHA-FPCVCCKLSA-N 2 0 293.455 1.777 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584964 929797712 /nfs/dbraw/zinc/79/77/12/929797712.db2.gz YHLKQWVKMLADAF-ZIAGYGMSSA-N 2 0 279.428 1.367 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584962 929798996 /nfs/dbraw/zinc/79/89/96/929798996.db2.gz YHLKQWVKMLADAF-UONOGXRCSA-N 2 0 279.428 1.367 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135608272 930291945 /nfs/dbraw/zinc/29/19/45/930291945.db2.gz IBYSUKBTUAXRRV-KGLIPLIRSA-N 2 0 279.428 1.224 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCCCC1 ZINC001115730508 937415967 /nfs/dbraw/zinc/41/59/67/937415967.db2.gz LVHBKNZSQFBHJJ-HNNXBMFYSA-N 2 0 291.439 1.370 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730538 937416461 /nfs/dbraw/zinc/41/64/61/937416461.db2.gz MSBZGOFXKVCNQS-LSDHHAIUSA-N 2 0 291.439 1.226 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135961128 930579695 /nfs/dbraw/zinc/57/96/95/930579695.db2.gz LZBFRTZDMPYYCM-KGLIPLIRSA-N 2 0 269.433 1.777 20 30 CDEDRP Cc1c(Cl)cnc(N[C@H]([NH3+])CCC[NH3+])c1C#N ZINC001170896552 930691910 /nfs/dbraw/zinc/69/19/10/930691910.db2.gz GXDKBHZSYIHDCC-JTQLQIEISA-N 2 0 253.737 1.351 20 30 CDEDRP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@H](CC)[NH+](C)C ZINC001274511165 931505568 /nfs/dbraw/zinc/50/55/68/931505568.db2.gz OFYFLRRDLWMGRJ-WSROAFLRSA-N 2 0 253.390 1.165 20 30 CDEDRP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCN(CC[NH3+])CC1 ZINC001171182797 931822877 /nfs/dbraw/zinc/82/28/77/931822877.db2.gz YQWYZPDCKCOFCK-CQSZACIVSA-N 2 0 272.396 1.066 20 30 CDEDRP NC(=O)c1ccc(C(=[NH2+])Nc2cccc3c2CC[C@H]3[NH3+])cc1 ZINC001171258515 932171377 /nfs/dbraw/zinc/17/13/77/932171377.db2.gz BHBJZQBPXCEPGX-CQSZACIVSA-N 2 0 294.358 1.769 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146610362 932271469 /nfs/dbraw/zinc/27/14/69/932271469.db2.gz ISXZNVHLMLMCSB-CABCVRRESA-N 2 0 279.428 1.369 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC)CC1 ZINC001146608959 932271803 /nfs/dbraw/zinc/27/18/03/932271803.db2.gz BKYBGEQBRYWVLN-KGLIPLIRSA-N 2 0 279.428 1.224 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844677 937594939 /nfs/dbraw/zinc/59/49/39/937594939.db2.gz UJTKWPLMXBUZGN-XHSDSOJGSA-N 2 0 293.455 1.567 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147834225 932615373 /nfs/dbraw/zinc/61/53/73/932615373.db2.gz FYAQLVCQKHGKEA-GJZGRUSLSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CC[NH+]1CCC(N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925547687 932903241 /nfs/dbraw/zinc/90/32/41/932903241.db2.gz CMGHKNHGECTCKI-FHXAZYNBSA-N 2 0 261.413 1.223 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001091985291 932903804 /nfs/dbraw/zinc/90/38/04/932903804.db2.gz NFONGETWJSWLIL-INMHGKMJSA-N 2 0 293.455 1.539 20 30 CDEDRP N#CC[C@@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000929261511 933220267 /nfs/dbraw/zinc/22/02/67/933220267.db2.gz HDTYBSWWVRZFII-MRXNPFEDSA-N 2 0 279.428 1.849 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110991844 933376987 /nfs/dbraw/zinc/37/69/87/933376987.db2.gz DYTRVGXAOBZCQX-APIJFGDWSA-N 2 0 279.428 1.480 20 30 CDEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])NCCc1ccccc1 ZINC000303980204 935049320 /nfs/dbraw/zinc/04/93/20/935049320.db2.gz NWBYKDTXMKIFPB-AWEZNQCLSA-N 2 0 276.428 1.864 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001048587542 936057165 /nfs/dbraw/zinc/05/71/65/936057165.db2.gz OPPDLLPFMQSWLA-JONQDZQNSA-N 2 0 291.439 1.483 20 30 CDEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001122248808 937915272 /nfs/dbraw/zinc/91/52/72/937915272.db2.gz KDPBKVKJEUCALW-UHFFFAOYSA-N 2 0 291.439 1.367 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156383876 938361468 /nfs/dbraw/zinc/36/14/68/938361468.db2.gz RHLZWVAHTYKIIE-HUUCEWRRSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156928055 938435419 /nfs/dbraw/zinc/43/54/19/938435419.db2.gz VJNXNOIUOVSOFZ-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157959790 938569057 /nfs/dbraw/zinc/56/90/57/938569057.db2.gz GLWHHLIUYUIHGB-IIAWOOMASA-N 2 0 271.364 1.063 20 30 CDEDRP CC(C)N(c1ncc2c(c1C#N)CCC[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC001158022396 938575406 /nfs/dbraw/zinc/57/54/06/938575406.db2.gz NPBPXQRZAXGWCT-CQSZACIVSA-N 2 0 299.422 1.566 20 30 CDEDRP C[C@]1(C[NH3+])CCCN(c2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001158673328 938648416 /nfs/dbraw/zinc/64/84/16/938648416.db2.gz HIUMWCSIPQGTBO-QGZVFWFLSA-N 2 0 299.422 1.554 20 30 CDEDRP N#Cc1cc(NC2=CCC[NH2+]C2)ccc1N1CC[NH2+]CC1 ZINC001159742708 938748715 /nfs/dbraw/zinc/74/87/15/938748715.db2.gz KKYVWDZTUCBAAD-UHFFFAOYSA-N 2 0 283.379 1.257 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161545347 938909634 /nfs/dbraw/zinc/90/96/34/938909634.db2.gz SDOHXWQRWVLUKV-ZDUSSCGKSA-N 2 0 265.401 1.415 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001214780231 938954500 /nfs/dbraw/zinc/95/45/00/938954500.db2.gz QODZUQQVPJDXQL-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N(CC[NH3+])CCO)cc1 ZINC001163840690 939340265 /nfs/dbraw/zinc/34/02/65/939340265.db2.gz ZWIBKVPWCLYLLF-QGZVFWFLSA-N 2 0 289.423 1.767 20 30 CDEDRP C=CCCCCC[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165781789 939577587 /nfs/dbraw/zinc/57/75/87/939577587.db2.gz ZNRMMUZNEMRUPB-UHFFFAOYSA-N 2 0 269.433 1.780 20 30 CDEDRP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203793683 939705123 /nfs/dbraw/zinc/70/51/23/939705123.db2.gz SSNWIXXDMJXIRV-HUUCEWRRSA-N 2 0 291.439 1.367 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001203888448 939712105 /nfs/dbraw/zinc/71/21/05/939712105.db2.gz JYQWUCWGMUCVBT-UHFFFAOYSA-N 2 0 291.439 1.466 20 30 CDEDRP N#Cc1c(F)cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1F ZINC001205230282 939839866 /nfs/dbraw/zinc/83/98/66/939839866.db2.gz RVXUDOPFAKSFCW-HNNXBMFYSA-N 2 0 295.333 1.512 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001205854440 939946378 /nfs/dbraw/zinc/94/63/78/939946378.db2.gz UGGBUCBISLCPTI-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001208563649 940340509 /nfs/dbraw/zinc/34/05/09/940340509.db2.gz AGDNYZVVQYBJRO-OAHLLOKOSA-N 2 0 296.374 1.552 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001209486502 940595060 /nfs/dbraw/zinc/59/50/60/940595060.db2.gz ZCYGRDPZQFFICG-LSDHHAIUSA-N 2 0 279.428 1.177 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001210486280 940693654 /nfs/dbraw/zinc/69/36/54/940693654.db2.gz SNYGHYOATDCHCT-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211073109 940728364 /nfs/dbraw/zinc/72/83/64/940728364.db2.gz ZPAGUFNQHHTDER-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000402181312 940890852 /nfs/dbraw/zinc/89/08/52/940890852.db2.gz WFVNETZNILWLJN-JKSUJKDBSA-N 2 0 275.396 1.897 20 30 CDEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccsc1C#N ZINC001218623886 941246702 /nfs/dbraw/zinc/24/67/02/941246702.db2.gz CSENJVWTTMYZNN-JTQLQIEISA-N 2 0 266.370 1.275 20 30 CDEDRP N#Cc1oc2ccccc2c1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218629101 941247607 /nfs/dbraw/zinc/24/76/07/941247607.db2.gz WFVVLTMMDXUYAS-JTQLQIEISA-N 2 0 272.308 1.309 20 30 CDEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1ccc(C#N)cc1O ZINC001218987876 941298036 /nfs/dbraw/zinc/29/80/36/941298036.db2.gz DLJPNIIVKNAIBV-LBPRGKRZSA-N 2 0 290.367 1.262 20 30 CDEDRP CC(C)C[C@](C)(C#N)NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001221292159 941512968 /nfs/dbraw/zinc/51/29/68/941512968.db2.gz HBYFHMYZFGXFNM-GXTWGEPZSA-N 2 0 268.405 1.277 20 30 CDEDRP CCCCCCCC[N@@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001222515487 941607254 /nfs/dbraw/zinc/60/72/54/941607254.db2.gz SIPHISHHSIKWRK-UHFFFAOYSA-N 2 0 281.444 1.901 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223425174 941676995 /nfs/dbraw/zinc/67/69/95/941676995.db2.gz OMKAEGZMYVTWHT-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001225543510 941877416 /nfs/dbraw/zinc/87/74/16/941877416.db2.gz VGBNTWOHSYQDML-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP Cc1ccc(CN(CC[NH+](C)C)CC[NH+](C)C)c(C#N)c1 ZINC001232966526 943447553 /nfs/dbraw/zinc/44/75/53/943447553.db2.gz PJGWKFLTQNAUSZ-UHFFFAOYSA-N 2 0 288.439 1.792 20 30 CDEDRP C=CCOc1cccc(CN2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235063151 944037740 /nfs/dbraw/zinc/03/77/40/944037740.db2.gz OZDNSRFHUPOSMA-KRWDZBQOSA-N 2 0 287.407 1.389 20 30 CDEDRP C=CCN1CC[C@@]2(CCC[N@@H+](CCCC[NH3+])C2)C1=O ZINC001235493639 944172967 /nfs/dbraw/zinc/17/29/67/944172967.db2.gz PTKAMUFKTRYCKP-OAHLLOKOSA-N 2 0 265.401 1.226 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001235515892 944184546 /nfs/dbraw/zinc/18/45/46/944184546.db2.gz UNDMPPSHQUBBQR-LSDHHAIUSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235589484 944212861 /nfs/dbraw/zinc/21/28/61/944212861.db2.gz SBDBIOQWGVLEII-GJZGRUSLSA-N 2 0 281.444 1.681 20 30 CDEDRP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](CCCC[NH3+])C2 ZINC001235633562 944223228 /nfs/dbraw/zinc/22/32/28/944223228.db2.gz RDNCJADQMJRABY-HUUCEWRRSA-N 2 0 268.401 1.551 20 30 CDEDRP C=CCOc1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1 ZINC001235992891 944359205 /nfs/dbraw/zinc/35/92/05/944359205.db2.gz OBZMTUSYOMQECD-FKEKPDDDSA-N 2 0 288.391 1.657 20 30 CDEDRP N#Cc1ccc([O-])c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237414581 944763764 /nfs/dbraw/zinc/76/37/64/944763764.db2.gz LPZNAOYVCLHXAJ-HIFRSBDPSA-N 2 0 271.364 1.838 20 30 CDEDRP C[C@@H](CC[NH2+]C[C@@H](O)COc1ccccc1C#N)[NH+](C)C ZINC001262565776 946715502 /nfs/dbraw/zinc/71/55/02/946715502.db2.gz WEFQFJVHPYEZLR-DZGCQCFKSA-N 2 0 291.395 1.228 20 30 CDEDRP C#CCCN1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)C1=O ZINC001254510966 947474485 /nfs/dbraw/zinc/47/44/85/947474485.db2.gz ZJLHEPLAEUMVQZ-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCCCCCC[C@H](O)C[NH2+]CCCN1CC[NH2+]CC1 ZINC001245981686 947877457 /nfs/dbraw/zinc/87/74/57/947877457.db2.gz QFTKAKKQMQFFMY-KRWDZBQOSA-N 2 0 297.487 1.759 20 30 CDEDRP CC1(C#N)CCC([NH2+]C2CN(C3CC[NH2+]CC3)C2)CC1 ZINC001246218181 948033760 /nfs/dbraw/zinc/03/37/60/948033760.db2.gz NWBGZYONSDHJGA-UHFFFAOYSA-N 2 0 276.428 1.485 20 30 CDEDRP [NH2+]=C(N[C@H]1CCC[NH2+]C1)c1ccc2ccccc2n1 ZINC001246305478 948094772 /nfs/dbraw/zinc/09/47/72/948094772.db2.gz HYTXDYSKZZBRQP-LBPRGKRZSA-N 2 0 254.337 1.692 20 30 CDEDRP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246597836 948335843 /nfs/dbraw/zinc/33/58/43/948335843.db2.gz WVCQIGALMSYSRU-OAHLLOKOSA-N 2 0 298.434 1.517 20 30 CDEDRP CCCCCCCC[C@H](O)C[NH2+]CCN1CC[NH+](C)CC1 ZINC001252131401 951156939 /nfs/dbraw/zinc/15/69/39/951156939.db2.gz NFJVEZFNQJRROM-KRWDZBQOSA-N 2 0 299.503 1.935 20 30 CDEDRP C=C[C@](C)(O)CN(CC[NH+](CC)CC)CC[NH+](CC)CC ZINC001252560072 951455235 /nfs/dbraw/zinc/45/52/35/951455235.db2.gz NAFVGLQMZIFWOZ-KRWDZBQOSA-N 2 0 299.503 1.909 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001252604636 951502083 /nfs/dbraw/zinc/50/20/83/951502083.db2.gz WGFKPENISQRCMQ-ZNMIVQPWSA-N 2 0 252.402 1.587 20 30 CDEDRP C=C[C@H](O)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001253577883 951965625 /nfs/dbraw/zinc/96/56/25/951965625.db2.gz QODUQCIBFUBCJA-IKGGRYGDSA-N 2 0 294.439 1.214 20 30 CDEDRP C=C[C@@H](O)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001253585710 951977559 /nfs/dbraw/zinc/97/75/59/951977559.db2.gz ZAQFIARDAKESKK-RRFJBIMHSA-N 2 0 252.402 1.872 20 30 CDEDRP C=C[C@H](O)C[NH2+]CC1CC[NH+](Cc2ccccn2)CC1 ZINC001253606485 951991510 /nfs/dbraw/zinc/99/15/10/951991510.db2.gz IIPTYDXTKHIRED-INIZCTEOSA-N 2 0 275.396 1.430 20 30 CDEDRP C#CC[N@@H+](CCCNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001493874217 972130732 /nfs/dbraw/zinc/13/07/32/972130732.db2.gz AVVOTHHVYOUWEH-HNNXBMFYSA-N 2 0 281.444 1.423 20 30 CDEDRP C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)CN1CC[NH+](C)CC1 ZINC001365358370 955956398 /nfs/dbraw/zinc/95/63/98/955956398.db2.gz DYWDRRMQQOQOTN-KLAILNCOSA-N 2 0 292.471 1.932 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1cccc(C(=O)OC)c1 ZINC001334374941 959067123 /nfs/dbraw/zinc/06/71/23/959067123.db2.gz OJDBQYPKLCCMCB-UHFFFAOYSA-N 2 0 274.364 1.518 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001368748502 959102320 /nfs/dbraw/zinc/10/23/20/959102320.db2.gz GKCLMWJDUXACSK-QWHCGFSZSA-N 2 0 289.851 1.810 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC001340180750 962798420 /nfs/dbraw/zinc/79/84/20/962798420.db2.gz FRLBDPCSJKEYOU-IUCAKERBSA-N 2 0 267.295 1.066 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[C@@H]([NH3+])CCSC)CC1 ZINC001340220183 962823673 /nfs/dbraw/zinc/82/36/73/962823673.db2.gz OYLIRSUTIHKFMI-LBPRGKRZSA-N 2 0 285.457 1.224 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CC1 ZINC001341302150 963357193 /nfs/dbraw/zinc/35/71/93/963357193.db2.gz LLOPSIVNZJXMNQ-GFCCVEGCSA-N 2 0 255.406 1.672 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001342308881 963705967 /nfs/dbraw/zinc/70/59/67/963705967.db2.gz ZQCUGKQTSXYJMA-MGPQQGTHSA-N 2 0 269.433 1.918 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C)CC[NH+](CC)CC ZINC001353531157 968051091 /nfs/dbraw/zinc/05/10/91/968051091.db2.gz INKFESPATYTOFP-CYBMUJFWSA-N 2 0 255.406 1.341 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001100606771 968786970 /nfs/dbraw/zinc/78/69/70/968786970.db2.gz WLXCRDZPJCQJKY-UIDBIOKJSA-N 2 0 291.439 1.224 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100619705 968805169 /nfs/dbraw/zinc/80/51/69/968805169.db2.gz DEYRQDQQLYADNE-UHFFFAOYSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC001357661269 969638568 /nfs/dbraw/zinc/63/85/68/969638568.db2.gz VQIWTASNWYTOIP-KGLIPLIRSA-N 2 0 279.428 1.661 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001358025222 969680619 /nfs/dbraw/zinc/68/06/19/969680619.db2.gz YCMJXJRMBCVZTF-HOTGVXAUSA-N 2 0 287.407 1.501 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001495810888 972645949 /nfs/dbraw/zinc/64/59/49/972645949.db2.gz ZCVCMBKUNZZBNH-CMPLNLGQSA-N 2 0 273.808 1.033 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001397652569 975670613 /nfs/dbraw/zinc/67/06/13/975670613.db2.gz RZXPFIVFWFTPAI-JOCQHMNTSA-N 2 0 299.846 1.708 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001382054200 977143874 /nfs/dbraw/zinc/14/38/74/977143874.db2.gz ZUHKWEWXXPQDIM-NWDGAFQWSA-N 2 0 273.808 1.270 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001392931582 977655006 /nfs/dbraw/zinc/65/50/06/977655006.db2.gz AFNKZPNBEVTFJC-NSHDSACASA-N 2 0 285.819 1.319 20 30 CDEDRP CC#CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132153509 1163183288 /nfs/dbraw/zinc/18/32/88/1163183288.db2.gz RDKHFPHYYSOJAV-LSDHHAIUSA-N 2 0 293.455 1.709 20 30 CDEDRP C#CCC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132437650 1163291108 /nfs/dbraw/zinc/29/11/08/1163291108.db2.gz WOXCKWGOJLWZSX-JKSUJKDBSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001133346544 1163643567 /nfs/dbraw/zinc/64/35/67/1163643567.db2.gz MOFFZAQSBNZHPV-HZPDHXFCSA-N 2 0 295.471 1.977 20 30 CDEDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442800152 362092011 /nfs/dbraw/zinc/09/20/11/362092011.db2.gz YZJMIKJGVKAMNB-HZSPNIEDSA-N 2 0 253.390 1.625 20 30 CDEDRP COCCC[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598720530 343883125 /nfs/dbraw/zinc/88/31/25/343883125.db2.gz OJDRUVRVTQRVIP-HNNXBMFYSA-N 2 0 297.443 1.378 20 30 CDEDRP CCc1nc2ccccc2n1C[C@@H](O)CN(C)CCC#N ZINC000414109697 362921580 /nfs/dbraw/zinc/92/15/80/362921580.db2.gz VDKRDBWQZKWNHI-ZDUSSCGKSA-N 2 0 286.379 1.805 20 30 CDEDRP C[C@@H]1C[N@H+](CCCNCc2cccc(C#N)n2)CCCO1 ZINC000602635484 350135074 /nfs/dbraw/zinc/13/50/74/350135074.db2.gz ZBMLGGNDAQAQIL-CQSZACIVSA-N 2 0 288.395 1.544 20 30 CDEDRP CCCNC(=[NH2+])NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264092743 362965276 /nfs/dbraw/zinc/96/52/76/362965276.db2.gz LJCZIZVKOTUNSN-INIZCTEOSA-N 2 0 288.439 1.865 20 30 CDEDRP CN(C)C(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179738604 357222779 /nfs/dbraw/zinc/22/27/79/357222779.db2.gz SAGZIMWKWFMKND-UHFFFAOYSA-N 2 0 261.373 1.174 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000349339144 360839716 /nfs/dbraw/zinc/83/97/16/360839716.db2.gz BQZLGBPZJOSGOU-HUUCEWRRSA-N 2 0 253.434 1.957 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001661652969 1172421926 /nfs/dbraw/zinc/42/19/26/1172421926.db2.gz GGCDFRJVSITMII-MJBXVCDLSA-N 2 0 267.417 1.530 20 30 CDEDRP C=CCOCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339429645 391298520 /nfs/dbraw/zinc/29/85/20/391298520.db2.gz YMLDUELCCALKAY-OAHLLOKOSA-N 2 0 252.402 1.997 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000423233424 392960258 /nfs/dbraw/zinc/96/02/58/392960258.db2.gz JVLKDZXKIIYJJR-SFHVURJKSA-N 2 0 298.434 1.864 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000648773337 393324318 /nfs/dbraw/zinc/32/43/18/393324318.db2.gz DEANAQOWCDTVJC-UKRRQHHQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414970375 263171748 /nfs/dbraw/zinc/17/17/48/263171748.db2.gz HIUHBKHXTBBTEL-VXGBXAGGSA-N 2 0 279.350 1.767 20 30 CDEDRP CC[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N1CCSC(C)(C)C1 ZINC000126228617 264213284 /nfs/dbraw/zinc/21/32/84/264213284.db2.gz PBCPMQXMFALRQM-CYBMUJFWSA-N 2 0 298.500 1.731 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000252702161 264305103 /nfs/dbraw/zinc/30/51/03/264305103.db2.gz GPLOHNPJLBDAMD-ZIAGYGMSSA-N 2 0 265.401 1.143 20 30 CDEDRP CCNC(=[NH2+])NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000267393911 328177944 /nfs/dbraw/zinc/17/79/44/328177944.db2.gz DQWSFMVKKVOQHN-UHFFFAOYSA-N 2 0 290.411 1.068 20 30 CDEDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185779074 329331469 /nfs/dbraw/zinc/33/14/69/329331469.db2.gz JNXAQUBSJYYPDC-JYJNAYRXSA-N 2 0 278.444 1.684 20 30 CDEDRP C#CCNC(=[NH+]CC)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262427577 330010059 /nfs/dbraw/zinc/01/00/59/330010059.db2.gz DEMOVCUYCFJTJY-AWEZNQCLSA-N 2 0 262.401 1.145 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC=CO1 ZINC000262762799 330029869 /nfs/dbraw/zinc/02/98/69/330029869.db2.gz FZYDYZXHMVAFHK-CHWSQXEVSA-N 2 0 266.389 1.068 20 30 CDEDRP C=CCN1CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422863543 330158116 /nfs/dbraw/zinc/15/81/16/330158116.db2.gz RXPMSRJOATXXIL-HIFRSBDPSA-N 2 0 251.418 1.744 20 30 CDEDRP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424141272 330282507 /nfs/dbraw/zinc/28/25/07/330282507.db2.gz XAGTWVIMMLISIK-CQSZACIVSA-N 2 0 280.416 1.339 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000424180306 330321005 /nfs/dbraw/zinc/32/10/05/330321005.db2.gz VEXWNWTYKRXQSA-HNNXBMFYSA-N 2 0 288.395 1.038 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000424197126 330325644 /nfs/dbraw/zinc/32/56/44/330325644.db2.gz NLBRTHRHZKKCQF-LSDHHAIUSA-N 2 0 288.395 1.604 20 30 CDEDRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442780545 330782493 /nfs/dbraw/zinc/78/24/93/330782493.db2.gz GRXRAJGOEBPCCN-KBPBESRZSA-N 2 0 264.417 1.294 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2[C@H](C)C[N@H+](CC)C[C@@H]2C)CC1 ZINC000491631250 332253917 /nfs/dbraw/zinc/25/39/17/332253917.db2.gz QAYSDJRBZNKWKU-GASCZTMLSA-N 2 0 291.439 1.273 20 30 CDEDRP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001752159005 1159458697 /nfs/dbraw/zinc/45/86/97/1159458697.db2.gz YGJCIPSLZJHDNS-HUUCEWRRSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001752642056 1159837839 /nfs/dbraw/zinc/83/78/39/1159837839.db2.gz NKWBPJNAQAAHEM-YHUYYLMFSA-N 2 0 289.423 1.263 20 30 CDEDRP C=C(CC)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000678629375 483136046 /nfs/dbraw/zinc/13/60/46/483136046.db2.gz XECVVJZSNPEXHH-HNNXBMFYSA-N 2 0 251.418 1.664 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000669465262 483173173 /nfs/dbraw/zinc/17/31/73/483173173.db2.gz MYVXLFOFJSYGQU-CQSZACIVSA-N 2 0 280.416 1.078 20 30 CDEDRP C[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCC[C@H]1C[NH3+] ZINC001205995568 1161992443 /nfs/dbraw/zinc/99/24/43/1161992443.db2.gz PDLZHSVSXVISDR-JSGCOSHPSA-N 2 0 260.385 1.704 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](CCC)[NH2+]C(C)C)CC1 ZINC000353314147 526443254 /nfs/dbraw/zinc/44/32/54/526443254.db2.gz LEJJWUNMHQFJLH-OAHLLOKOSA-N 2 0 281.444 1.920 20 30 CDEDRP C#CCOc1ccc([C@H](C)[NH2+]CCOCC[NH+](C)C)cc1 ZINC000774380588 575201859 /nfs/dbraw/zinc/20/18/59/575201859.db2.gz IGLYGWHYGVDFAJ-HNNXBMFYSA-N 2 0 290.407 1.927 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H](CC)C[NH+]2CCCC2)CC1 ZINC000735923735 575535836 /nfs/dbraw/zinc/53/58/36/575535836.db2.gz JBWLGHDSENCCSH-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000766894766 576143142 /nfs/dbraw/zinc/14/31/42/576143142.db2.gz GRCLXXUVMXTGME-IRXDYDNUSA-N 2 0 277.456 1.890 20 30 CDEDRP C#CC[NH2+]C1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000963861214 612955533 /nfs/dbraw/zinc/95/55/33/612955533.db2.gz NXPSRYQDMQOOMK-UHFFFAOYSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975049405 613036823 /nfs/dbraw/zinc/03/68/23/613036823.db2.gz KUFPQTFFPOLRBB-CABCVRRESA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000947852819 613225905 /nfs/dbraw/zinc/22/59/05/613225905.db2.gz LWAOFMGMSIYIRE-JKSUJKDBSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000970744485 613248834 /nfs/dbraw/zinc/24/88/34/613248834.db2.gz GCGAMMLNQCFXAN-AWEZNQCLSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947614975 613256390 /nfs/dbraw/zinc/25/63/90/613256390.db2.gz BWZLXSQPPZXHIQ-CABCVRRESA-N 2 0 291.439 1.463 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980391315 613284601 /nfs/dbraw/zinc/28/46/01/613284601.db2.gz PKWCKFVSTTUEIW-ZIAGYGMSSA-N 2 0 265.401 1.047 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971801017 613289895 /nfs/dbraw/zinc/28/98/95/613289895.db2.gz NOAWCWGVPITJLB-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000980833529 613309709 /nfs/dbraw/zinc/30/97/09/613309709.db2.gz IAHHFJBAAIAVPW-AWEZNQCLSA-N 2 0 265.401 1.191 20 30 CDEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000970926738 613483135 /nfs/dbraw/zinc/48/31/35/613483135.db2.gz BIQFBBYQTNMGDL-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000947684592 613596988 /nfs/dbraw/zinc/59/69/88/613596988.db2.gz JBAFVGQUCJZYRL-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000972479504 613615188 /nfs/dbraw/zinc/61/51/88/613615188.db2.gz VESJNHSFZKYVSV-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP CC#CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974992440 613620184 /nfs/dbraw/zinc/62/01/84/613620184.db2.gz GQTZZYYEAGJGCB-HNNXBMFYSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH+]1CCCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982112789 613678665 /nfs/dbraw/zinc/67/86/65/613678665.db2.gz DJQHNOUTXAZNGQ-HNNXBMFYSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000948241167 613700881 /nfs/dbraw/zinc/70/08/81/613700881.db2.gz KSPFLEGJIVBXKK-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000943755333 613781651 /nfs/dbraw/zinc/78/16/51/613781651.db2.gz CCEKPBOPDDWBAO-HOTGVXAUSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000975060163 613805946 /nfs/dbraw/zinc/80/59/46/613805946.db2.gz IMHATBZZJXFWGK-ZIAGYGMSSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000981312834 613860340 /nfs/dbraw/zinc/86/03/40/613860340.db2.gz YITVNFKMEBGEAA-HUUCEWRRSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000970177861 613863408 /nfs/dbraw/zinc/86/34/08/613863408.db2.gz JCLXSYNGCPSPRP-CQSZACIVSA-N 2 0 265.401 1.095 20 30 CDEDRP C[C@H](C#N)OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000801933857 625380791 /nfs/dbraw/zinc/38/07/91/625380791.db2.gz GSYKQJNNXAPMFV-IIAWOOMASA-N 2 0 277.412 1.864 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000911699290 629423392 /nfs/dbraw/zinc/42/33/92/629423392.db2.gz PEXULNRLVRNVTI-QWHCGFSZSA-N 2 0 255.406 1.542 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])C1 ZINC000911739074 629459273 /nfs/dbraw/zinc/45/92/73/629459273.db2.gz PJERVSYRNGMWNH-ZIAGYGMSSA-N 2 0 269.433 1.872 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000911819295 629547147 /nfs/dbraw/zinc/54/71/47/629547147.db2.gz PHNMFWAQWXKLIE-UONOGXRCSA-N 2 0 267.417 1.694 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000911833606 629563897 /nfs/dbraw/zinc/56/38/97/629563897.db2.gz YUJUVNWQTKYJSE-JSGCOSHPSA-N 2 0 255.406 1.550 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000913517461 630520974 /nfs/dbraw/zinc/52/09/74/630520974.db2.gz BKAVZSYLMAKLAR-UHFFFAOYSA-N 2 0 299.418 1.577 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000157398116 630597968 /nfs/dbraw/zinc/59/79/68/630597968.db2.gz SNVGROMBZSHRCH-AWEZNQCLSA-N 2 0 266.433 1.835 20 30 CDEDRP C=CC[NH2+]CCN(CC)C(=O)C[NH+]1CCC(C)CC1 ZINC001754074345 1158725980 /nfs/dbraw/zinc/72/59/80/1158725980.db2.gz RVRHRZMQLKQRDF-UHFFFAOYSA-N 2 0 267.417 1.342 20 30 CDEDRP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001754914899 1159486826 /nfs/dbraw/zinc/48/68/26/1159486826.db2.gz OOIHZCHSDDQEBJ-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132286689 1163224221 /nfs/dbraw/zinc/22/42/21/1163224221.db2.gz MJQJFHHHSDBMLT-UHFFFAOYSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001252481339 1164470976 /nfs/dbraw/zinc/47/09/76/1164470976.db2.gz BOIOGTLTPJAFJR-AWEZNQCLSA-N 2 0 256.390 1.012 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001153653832 1164813059 /nfs/dbraw/zinc/81/30/59/1164813059.db2.gz HLXYVJBIINAKEB-KGLIPLIRSA-N 2 0 285.407 1.126 20 30 CDEDRP C#CCN(C[C@@H]1CCCC[C@H]1C(=O)OC)C1CC[NH2+]CC1 ZINC001574667126 1170998589 /nfs/dbraw/zinc/99/85/89/1170998589.db2.gz MVTPEDMQZDHKCV-GOEBONIOSA-N 2 0 292.423 1.653 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001752411681 1184859686 /nfs/dbraw/zinc/85/96/86/1184859686.db2.gz XHIQCDFTZBNNDJ-AWEZNQCLSA-N 2 0 267.417 1.483 20 30 CDEDRP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001752882666 1184949325 /nfs/dbraw/zinc/94/93/25/1184949325.db2.gz AIEDESKJFALBMK-CHWSQXEVSA-N 2 0 255.406 1.387 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001752939026 1184971202 /nfs/dbraw/zinc/97/12/02/1184971202.db2.gz OHHLSNIQCWQILX-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001752980910 1184982017 /nfs/dbraw/zinc/98/20/17/1184982017.db2.gz SXXDSAQVXBVNGA-GJZGRUSLSA-N 2 0 279.428 1.369 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001753134523 1185079624 /nfs/dbraw/zinc/07/96/24/1185079624.db2.gz BONMDHZJUNZRBW-MRXNPFEDSA-N 2 0 291.439 1.180 20 30 CDEDRP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001753242763 1185129764 /nfs/dbraw/zinc/12/97/64/1185129764.db2.gz VQZKIBHVEBLNME-HNNXBMFYSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001753424202 1185196660 /nfs/dbraw/zinc/19/66/60/1185196660.db2.gz OGVYAJZKBZHUPB-HOTGVXAUSA-N 2 0 291.439 1.580 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CC ZINC001754468990 1185629223 /nfs/dbraw/zinc/62/92/23/1185629223.db2.gz BYDFIDFXJURWPY-LSDHHAIUSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CCC[NH+]1CCC(C)(NC(=O)CCC[NH+](C)C)CC1 ZINC001754629195 1185689725 /nfs/dbraw/zinc/68/97/25/1185689725.db2.gz UMYGETVUVPGACC-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001754673756 1185700294 /nfs/dbraw/zinc/70/02/94/1185700294.db2.gz GVTSUQZLHRBJGY-GOEBONIOSA-N 2 0 299.434 1.823 20 30 CDEDRP CC#CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001755123672 1185823591 /nfs/dbraw/zinc/82/35/91/1185823591.db2.gz SZYHIGVZGZMUDO-CABCVRRESA-N 2 0 279.428 1.178 20 30 CDEDRP C#CCC[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001755458678 1185954728 /nfs/dbraw/zinc/95/47/28/1185954728.db2.gz PMEGGEOOXZGKKP-UHFFFAOYSA-N 2 0 291.439 1.276 20 30 CDEDRP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001755479454 1185963951 /nfs/dbraw/zinc/96/39/51/1185963951.db2.gz NRHMWCPKVMKCBE-SHTZXODSSA-N 2 0 279.428 1.389 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001755565556 1185993675 /nfs/dbraw/zinc/99/36/75/1185993675.db2.gz BFOVIRYZQSCGTQ-INIZCTEOSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001755589852 1186003945 /nfs/dbraw/zinc/00/39/45/1186003945.db2.gz BYKKHTNYQWPZTR-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001086711356 1163863867 /nfs/dbraw/zinc/86/38/67/1163863867.db2.gz IPMMQSRIFSEHGY-ARFHVFGLSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024637690 735176756 /nfs/dbraw/zinc/17/67/56/735176756.db2.gz OEEJWBSFQYWFDH-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+]C1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001026592826 735316643 /nfs/dbraw/zinc/31/66/43/735316643.db2.gz RMZFBEOCSBVPBU-NFOMZHRRSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052819933 735370009 /nfs/dbraw/zinc/37/00/09/735370009.db2.gz JMQFEIHVCYFYCM-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=[NH2+])N2CCOCC2)C1 ZINC000104170056 735379848 /nfs/dbraw/zinc/37/98/48/735379848.db2.gz NPEAJTOOYAZJSB-GJZGRUSLSA-N 2 0 296.459 1.391 20 30 CDEDRP CCCC[N@H+](C)CCNC(=[NH2+])N1CCCCCC1 ZINC000305090136 735417178 /nfs/dbraw/zinc/41/71/78/735417178.db2.gz WJOPKNYPOKNQJG-UHFFFAOYSA-N 2 0 254.422 1.909 20 30 CDEDRP N#Cc1ccc(NCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000925893195 735425159 /nfs/dbraw/zinc/42/51/59/735425159.db2.gz MVBCVADNHBWGFV-RBSFLKMASA-N 2 0 285.395 1.343 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(SC)CC1 ZINC000193301190 735464044 /nfs/dbraw/zinc/46/40/44/735464044.db2.gz KECPDXRRLAJXJI-LLVKDONJSA-N 2 0 270.446 1.271 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028778809 735482662 /nfs/dbraw/zinc/48/26/62/735482662.db2.gz MEPRIWXZMDQTHG-HNNXBMFYSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001028592397 735503206 /nfs/dbraw/zinc/50/32/06/735503206.db2.gz MDXIPDNRSPVTJR-HOTGVXAUSA-N 2 0 293.455 1.588 20 30 CDEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015061566 735739382 /nfs/dbraw/zinc/73/93/82/735739382.db2.gz WMEWOBUTXYZVEH-HOTGVXAUSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001049370647 735954049 /nfs/dbraw/zinc/95/40/49/735954049.db2.gz XWRRKZNSIGYXLN-OAGGEKHMSA-N 2 0 289.423 1.169 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032959432 736001880 /nfs/dbraw/zinc/00/18/80/736001880.db2.gz GKKNJYFQVBFBBP-KGLIPLIRSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001005590447 736076682 /nfs/dbraw/zinc/07/66/82/736076682.db2.gz YWVCRFVWGZIDON-HNNXBMFYSA-N 2 0 279.428 1.580 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001049895948 733190916 /nfs/dbraw/zinc/19/09/16/733190916.db2.gz LARRIJQOGUUZMC-BZUAXINKSA-N 2 0 289.423 1.027 20 30 CDEDRP CC/[NH+]=C(/N(C)C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000429093483 733197079 /nfs/dbraw/zinc/19/70/79/733197079.db2.gz VLOPYUZIBBOTSW-YCPJBFQXSA-N 2 0 252.406 1.484 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001038872478 733200359 /nfs/dbraw/zinc/20/03/59/733200359.db2.gz PKXMZPDQHNNZAK-MRXNPFEDSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001018990149 733293140 /nfs/dbraw/zinc/29/31/40/733293140.db2.gz DCDAQJLUISLFJA-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050727162 733325223 /nfs/dbraw/zinc/32/52/23/733325223.db2.gz HLGKFKOWOIIYQQ-OAHLLOKOSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001040852964 733370686 /nfs/dbraw/zinc/37/06/86/733370686.db2.gz GDRAZMTZTAQJND-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008409355 733455813 /nfs/dbraw/zinc/45/58/13/733455813.db2.gz GDYZREAMVVGYDV-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000996679907 733468191 /nfs/dbraw/zinc/46/81/91/733468191.db2.gz RJNPOIYFGJQWPY-HNNXBMFYSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997300721 733509637 /nfs/dbraw/zinc/50/96/37/733509637.db2.gz WPIWGFZRTSZCID-GFCCVEGCSA-N 2 0 285.819 1.271 20 30 CDEDRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])N2CCSCC2)C1 ZINC000261964105 733515541 /nfs/dbraw/zinc/51/55/41/733515541.db2.gz AJAKZIDIIOUWNO-LBPRGKRZSA-N 2 0 270.446 1.082 20 30 CDEDRP Cn1nncc1[N-][NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000814981974 733543142 /nfs/dbraw/zinc/54/31/42/733543142.db2.gz SYBLHLDKESCBEO-UHFFFAOYSA-N 2 0 299.382 1.013 20 30 CDEDRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000261763783 733698855 /nfs/dbraw/zinc/69/88/55/733698855.db2.gz LTPVCAVFQHBZRR-UONOGXRCSA-N 2 0 296.459 1.580 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001019469692 733873714 /nfs/dbraw/zinc/87/37/14/733873714.db2.gz JAYYRMNXFRORNY-AWEZNQCLSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CCC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000883166701 733982178 /nfs/dbraw/zinc/98/21/78/733982178.db2.gz HCQFLYWUKMYWNQ-DLBZAZTESA-N 2 0 295.471 1.727 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(C(C)C)no1 ZINC000304764576 733987445 /nfs/dbraw/zinc/98/74/45/733987445.db2.gz YEAJQFXYUYLVIM-GFCCVEGCSA-N 2 0 293.415 1.687 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC000993806458 733996195 /nfs/dbraw/zinc/99/61/95/733996195.db2.gz PCGJOHFOMQTJOB-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992471484 734020170 /nfs/dbraw/zinc/02/01/70/734020170.db2.gz BZOZVSJTLGQIPN-HLLBOEOZSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001018990148 734035488 /nfs/dbraw/zinc/03/54/88/734035488.db2.gz DCDAQJLUISLFJA-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028932490 734045015 /nfs/dbraw/zinc/04/50/15/734045015.db2.gz IYMCYAKKJPHURB-OAHLLOKOSA-N 2 0 291.439 1.487 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014404466 734053353 /nfs/dbraw/zinc/05/33/53/734053353.db2.gz CVAXDWHSGQZVHX-LSDHHAIUSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033476795 734054138 /nfs/dbraw/zinc/05/41/38/734054138.db2.gz XUSMUNUJBCSXPJ-INIZCTEOSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015061585 734072033 /nfs/dbraw/zinc/07/20/33/734072033.db2.gz WMEWOBUTXYZVEH-JKSUJKDBSA-N 2 0 291.439 1.321 20 30 CDEDRP CC(C)[C@@H](CNC(=[NH2+])N1CCCCC1)N1CC[NH+](C)CC1 ZINC000303785963 734077365 /nfs/dbraw/zinc/07/73/65/734077365.db2.gz QWECDCOYETTXRM-OAHLLOKOSA-N 2 0 295.475 1.059 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3cnc[nH]3)C[C@@H]21 ZINC001042249572 734085038 /nfs/dbraw/zinc/08/50/38/734085038.db2.gz NCBCSFXLTYKJOR-HIFRSBDPSA-N 2 0 288.395 1.451 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000989683791 734085149 /nfs/dbraw/zinc/08/51/49/734085149.db2.gz SAEKOSRZQRKUDU-STQMWFEESA-N 2 0 297.830 1.414 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CN2CCCC2)[C@@H]1C ZINC000994412337 734109662 /nfs/dbraw/zinc/10/96/62/734109662.db2.gz USRILVFSEDBGDK-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001052713538 734166209 /nfs/dbraw/zinc/16/62/09/734166209.db2.gz ZQFWSBCRZDNAEJ-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP CCN1CC[NH+](CCCCNC(=[NH2+])N2CCCCC2)CC1 ZINC000303877522 734256985 /nfs/dbraw/zinc/25/69/85/734256985.db2.gz FKGPDUTZJHYOKA-UHFFFAOYSA-N 2 0 295.475 1.205 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001028692937 734292019 /nfs/dbraw/zinc/29/20/19/734292019.db2.gz DXGVXYIQLDGJQW-AWEZNQCLSA-N 2 0 298.390 1.962 20 30 CDEDRP C#CCN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000886209654 734305469 /nfs/dbraw/zinc/30/54/69/734305469.db2.gz RJYFUZHLCUHIJG-CABCVRRESA-N 2 0 263.429 1.546 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015597570 734306931 /nfs/dbraw/zinc/30/69/31/734306931.db2.gz UTPDHPUSUAUYNB-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000997361111 734336254 /nfs/dbraw/zinc/33/62/54/734336254.db2.gz SNESHQSUUKGTSQ-UHFFFAOYSA-N 2 0 299.418 1.576 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001028637074 734376882 /nfs/dbraw/zinc/37/68/82/734376882.db2.gz UITBNPDTCHYARC-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC000995824822 734463611 /nfs/dbraw/zinc/46/36/11/734463611.db2.gz LGNQQYWFOSKXKK-MCIONIFRSA-N 2 0 279.428 1.339 20 30 CDEDRP C[C@@H]([NH2+]Cc1ccc(C#N)cn1)C1CC[NH+](C)CC1 ZINC000783300498 734528095 /nfs/dbraw/zinc/52/80/95/734528095.db2.gz NSPLCBKEMKLMKO-GFCCVEGCSA-N 2 0 258.369 1.773 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033837287 734602429 /nfs/dbraw/zinc/60/24/29/734602429.db2.gz GTBWNIVQEGUZRJ-QLFBSQMISA-N 2 0 279.428 1.435 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@H](C)N1CCc2ccccc2C1 ZINC000303887473 734661311 /nfs/dbraw/zinc/66/13/11/734661311.db2.gz OKKNMXPVGONMBY-AWEZNQCLSA-N 2 0 286.423 1.914 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000999350658 734669950 /nfs/dbraw/zinc/66/99/50/734669950.db2.gz ZZDUHLXKBWYXML-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001045554191 734816869 /nfs/dbraw/zinc/81/68/69/734816869.db2.gz PNNDSFYFYWWMQJ-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001014508452 734843736 /nfs/dbraw/zinc/84/37/36/734843736.db2.gz NTNJSZVQOUKQKQ-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001073457134 734927338 /nfs/dbraw/zinc/92/73/38/734927338.db2.gz BXPZMVOXHQTIJL-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001031772375 734967362 /nfs/dbraw/zinc/96/73/62/734967362.db2.gz RWCHWJKNJNZGHM-AWEZNQCLSA-N 2 0 265.401 1.095 20 30 CDEDRP CCNC(NCc1ccc(CC[NH+](C)C)cc1)=[NH+]CC ZINC000849214749 734978914 /nfs/dbraw/zinc/97/89/14/734978914.db2.gz LZLORNDYTBBBHP-UHFFFAOYSA-N 2 0 276.428 1.866 20 30 CDEDRP C=CCC[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001005990380 735004662 /nfs/dbraw/zinc/00/46/62/735004662.db2.gz FWVXHMRBKSGMMY-HNNXBMFYSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995897937 735042208 /nfs/dbraw/zinc/04/22/08/735042208.db2.gz SLCLKDLHJFXOLM-ZDUSSCGKSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996976218 735047646 /nfs/dbraw/zinc/04/76/46/735047646.db2.gz BTHUQIAUUFSVNL-HIFRSBDPSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001017942790 735088676 /nfs/dbraw/zinc/08/86/76/735088676.db2.gz VDJZBCKYWLBHJT-SOUVJXGZSA-N 2 0 277.412 1.189 20 30 CDEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001039437606 735210502 /nfs/dbraw/zinc/21/05/02/735210502.db2.gz QEVDHPHYVZENEI-OAGGEKHMSA-N 2 0 291.439 1.580 20 30 CDEDRP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001023762238 735229885 /nfs/dbraw/zinc/22/98/85/735229885.db2.gz UXQZFCIIXZEWQJ-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001074769569 735232257 /nfs/dbraw/zinc/23/22/57/735232257.db2.gz LBHCDOHXPCHUJU-CWRNSKLLSA-N 2 0 291.439 1.626 20 30 CDEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001016971962 735243817 /nfs/dbraw/zinc/24/38/17/735243817.db2.gz PDPDBAJEVXVNOI-HNNXBMFYSA-N 2 0 291.439 1.629 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001000917743 735595113 /nfs/dbraw/zinc/59/51/13/735595113.db2.gz MGIJRXSMBQJRQY-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001026605657 735644830 /nfs/dbraw/zinc/64/48/30/735644830.db2.gz XPCGHRSEYNMKAB-HSBZDZAISA-N 2 0 299.846 1.708 20 30 CDEDRP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001027928620 735666716 /nfs/dbraw/zinc/66/67/16/735666716.db2.gz ULHPQHZCWQAXKO-JKSUJKDBSA-N 2 0 293.455 1.731 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ncc(C)s1 ZINC000304787493 735826303 /nfs/dbraw/zinc/82/63/03/735826303.db2.gz IYBZXEGAKVNFAR-LLVKDONJSA-N 2 0 281.429 1.340 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001016331835 735860949 /nfs/dbraw/zinc/86/09/49/735860949.db2.gz AJKHDBMBDYBSJJ-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP CCCNC(=[NH2+])NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000303876167 736048111 /nfs/dbraw/zinc/04/81/11/736048111.db2.gz DSTRYLWXWHROCW-ZDUSSCGKSA-N 2 0 254.422 1.813 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=[NH2+])Nc1ccc(CCO)cc1 ZINC000864467049 736101451 /nfs/dbraw/zinc/10/14/51/736101451.db2.gz PLEYAHRJXZBYCK-UHFFFAOYSA-N 2 0 288.395 1.113 20 30 CDEDRP C=C(C)CN1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001039050671 736233637 /nfs/dbraw/zinc/23/36/37/736233637.db2.gz OZXIDOUKDJILGQ-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001175054702 913444614 /nfs/dbraw/zinc/44/46/14/913444614.db2.gz AXGVDUYQDOCIHW-CYBMUJFWSA-N 2 0 289.851 1.955 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001106246716 913709387 /nfs/dbraw/zinc/70/93/87/913709387.db2.gz PNUOYHIEUZNJRI-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001167051434 894008001 /nfs/dbraw/zinc/00/80/01/894008001.db2.gz LSDKIJDHIXDZMD-CQSZACIVSA-N 2 0 279.428 1.082 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001167236914 894928223 /nfs/dbraw/zinc/92/82/23/894928223.db2.gz SJFJEEBOUSGTFG-UHFFFAOYSA-N 2 0 291.439 1.228 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266545435 895302026 /nfs/dbraw/zinc/30/20/26/895302026.db2.gz QIVGKJQDMLBGEB-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210811407 895449807 /nfs/dbraw/zinc/44/98/07/895449807.db2.gz NOGKDFQBACFJFS-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001104809857 899527465 /nfs/dbraw/zinc/52/74/65/899527465.db2.gz SDWPNZGTKSPCFU-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001167732857 899529125 /nfs/dbraw/zinc/52/91/25/899529125.db2.gz PFJFXJSPKOKQES-HNNXBMFYSA-N 2 0 293.455 1.780 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176930105 914364507 /nfs/dbraw/zinc/36/45/07/914364507.db2.gz DQZUBSAXMCIDDD-UHFFFAOYSA-N 2 0 267.417 1.534 20 30 CDEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105010560 899786938 /nfs/dbraw/zinc/78/69/38/899786938.db2.gz QBQSYWBBQCTREV-BZUAXINKSA-N 2 0 291.439 1.036 20 30 CDEDRP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001027417059 900480755 /nfs/dbraw/zinc/48/07/55/900480755.db2.gz SVXKNMPZBBXLBS-BZUAXINKSA-N 2 0 293.455 1.826 20 30 CDEDRP Cc1cc(C)c(C#N)c(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001167882301 901634893 /nfs/dbraw/zinc/63/48/93/901634893.db2.gz PKXMHZZWOYXQCL-UHFFFAOYSA-N 2 0 260.345 1.245 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481157 914748668 /nfs/dbraw/zinc/74/86/68/914748668.db2.gz QGSACSNNVOBQPM-CQSZACIVSA-N 2 0 265.401 1.000 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001212462816 921235583 /nfs/dbraw/zinc/23/55/83/921235583.db2.gz KUQDVDVGKDKIRQ-RBSFLKMASA-N 2 0 297.443 1.108 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188985610 921247853 /nfs/dbraw/zinc/24/78/53/921247853.db2.gz NVVOKGQWPDZYJT-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001092735433 909504566 /nfs/dbraw/zinc/50/45/66/909504566.db2.gz VNKCCVMDUBDASQ-OAGGEKHMSA-N 2 0 291.439 1.178 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110160385 910714211 /nfs/dbraw/zinc/71/42/11/910714211.db2.gz MKSRTZQULAXXBZ-ILXRZTDVSA-N 2 0 277.412 1.071 20 30 CDEDRP C=C(C)C(=O)NCCC[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001172245037 911512475 /nfs/dbraw/zinc/51/24/75/911512475.db2.gz OEFJPGQWBPDELE-UHFFFAOYSA-N 2 0 297.443 1.159 20 30 CDEDRP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001089732168 915571927 /nfs/dbraw/zinc/57/19/27/915571927.db2.gz NUELWUOMNWCXKD-LSDHHAIUSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001178705710 915598057 /nfs/dbraw/zinc/59/80/57/915598057.db2.gz YZVMLCUSHOOBJI-UHFFFAOYSA-N 2 0 293.455 1.760 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178730947 915612948 /nfs/dbraw/zinc/61/29/48/915612948.db2.gz GVNYTOLIYQSDQR-QXSJWSMHSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135976778 930586141 /nfs/dbraw/zinc/58/61/41/930586141.db2.gz NQADSGCXBHFJFK-CHWSQXEVSA-N 2 0 255.406 1.387 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001180272996 916238074 /nfs/dbraw/zinc/23/80/74/916238074.db2.gz SAOCXEURFJGODF-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106980901 917618037 /nfs/dbraw/zinc/61/80/37/917618037.db2.gz DIGVJKFGNIETMJ-BZUAXINKSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183268325 918419694 /nfs/dbraw/zinc/41/96/94/918419694.db2.gz UDTPQUOPGZXXBY-KGLIPLIRSA-N 2 0 265.401 1.093 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001183392576 918470710 /nfs/dbraw/zinc/47/07/10/918470710.db2.gz YLFUVKYZQHSSPF-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184585660 919201059 /nfs/dbraw/zinc/20/10/59/919201059.db2.gz RPQKSAOYRYIGBA-HZPDHXFCSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)Cc2cncn2C)C[C@@H]1C ZINC001185501975 919632963 /nfs/dbraw/zinc/63/29/63/919632963.db2.gz JYRIQYHJQBSRAB-KBPBESRZSA-N 2 0 290.411 1.223 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001185548376 919649394 /nfs/dbraw/zinc/64/93/94/919649394.db2.gz MCDZZTBTJRWHMI-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001186074906 919856747 /nfs/dbraw/zinc/85/67/47/919856747.db2.gz KQZIUDOMGVDRDJ-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CCCC[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273541666 920557714 /nfs/dbraw/zinc/55/77/14/920557714.db2.gz HMUFGNOWRPDEAL-INIZCTEOSA-N 2 0 277.412 1.028 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190221846 921904929 /nfs/dbraw/zinc/90/49/29/921904929.db2.gz QNIJUKKZXIAUNI-JKSUJKDBSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)[C@H]1C ZINC001075068929 936742645 /nfs/dbraw/zinc/74/26/45/936742645.db2.gz QVTASVWYIHVBCA-DZKIICNBSA-N 2 0 277.412 1.237 20 30 CDEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001190996688 922366408 /nfs/dbraw/zinc/36/64/08/922366408.db2.gz HVZWHGWOIXUVBG-AWEZNQCLSA-N 2 0 281.444 1.826 20 30 CDEDRP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001099296878 936785094 /nfs/dbraw/zinc/78/50/94/936785094.db2.gz FBZRYURNWDFGDG-HNNXBMFYSA-N 2 0 293.455 1.568 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192161670 922928415 /nfs/dbraw/zinc/92/84/15/922928415.db2.gz KKGGYHSYJYTSAW-CYBMUJFWSA-N 2 0 253.390 1.047 20 30 CDEDRP C#CCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001192342229 923015716 /nfs/dbraw/zinc/01/57/16/923015716.db2.gz AJGRYOIJQJNADF-GJZGRUSLSA-N 2 0 277.412 1.027 20 30 CDEDRP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001192344456 923019987 /nfs/dbraw/zinc/01/99/87/923019987.db2.gz XCNQFYRJFDCDPE-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193560534 923797928 /nfs/dbraw/zinc/79/79/28/923797928.db2.gz TYRYOPSCWLMILM-HNNXBMFYSA-N 2 0 279.428 1.274 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001193744352 923868016 /nfs/dbraw/zinc/86/80/16/923868016.db2.gz AAPUWIWYTLZNAJ-RDJZCZTQSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194011384 924013775 /nfs/dbraw/zinc/01/37/75/924013775.db2.gz SAMJYKBZVJCPQH-UONOGXRCSA-N 2 0 265.401 1.047 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001080052126 924474985 /nfs/dbraw/zinc/47/49/85/924474985.db2.gz BGWPRVUYHGJTKI-CZUORRHYSA-N 2 0 298.390 1.961 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001080667675 924620362 /nfs/dbraw/zinc/62/03/62/924620362.db2.gz QBKWYALOMNKXGL-HZPDHXFCSA-N 2 0 291.439 1.178 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001080667388 924621152 /nfs/dbraw/zinc/62/11/52/924621152.db2.gz BLBHLNNKRHBUNI-HZPDHXFCSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001080988189 924672568 /nfs/dbraw/zinc/67/25/68/924672568.db2.gz ICXWPOUKGWLXSN-RHSMWYFYSA-N 2 0 299.418 1.432 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001100901635 936944102 /nfs/dbraw/zinc/94/41/02/936944102.db2.gz GHCIMWPTHLODSI-UHFFFAOYSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101283903 936965986 /nfs/dbraw/zinc/96/59/86/936965986.db2.gz CDNCJMZXIXUQDT-PBHICJAKSA-N 2 0 291.439 1.130 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001084455348 925258387 /nfs/dbraw/zinc/25/83/87/925258387.db2.gz QHZFOXMEZFEBRU-OWCLPIDISA-N 2 0 289.423 1.027 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001197898980 925262346 /nfs/dbraw/zinc/26/23/46/925262346.db2.gz KWUFZRRYBLDTRH-UHFFFAOYSA-N 2 0 281.444 1.829 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001166882407 925345456 /nfs/dbraw/zinc/34/54/56/925345456.db2.gz LJSDAGQTJMKOIP-UHFFFAOYSA-N 2 0 279.428 1.228 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152471273 925464793 /nfs/dbraw/zinc/46/47/93/925464793.db2.gz KAVIJDYEQOXQQG-AWEZNQCLSA-N 2 0 267.417 1.389 20 30 CDEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102087952 937041568 /nfs/dbraw/zinc/04/15/68/937041568.db2.gz DRMLGYXBKSIQAM-RBSFLKMASA-N 2 0 279.428 1.034 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001201052985 926193645 /nfs/dbraw/zinc/19/36/45/926193645.db2.gz IPJDWJJCHVPEMV-INIZCTEOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102577945 937065944 /nfs/dbraw/zinc/06/59/44/937065944.db2.gz DSTXPXVBNLGDKW-OWCLPIDISA-N 2 0 293.455 1.588 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001086221324 926852782 /nfs/dbraw/zinc/85/27/82/926852782.db2.gz OSZWRIPNXZTARJ-QXSJWSMHSA-N 2 0 291.439 1.674 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CCC#N ZINC001143196709 937133575 /nfs/dbraw/zinc/13/35/75/937133575.db2.gz FUFBTQBZYVFIPO-UHFFFAOYSA-N 2 0 268.405 1.022 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086386986 927061014 /nfs/dbraw/zinc/06/10/14/927061014.db2.gz NMQUQBHCYMWWNN-BZUAXINKSA-N 2 0 291.439 1.082 20 30 CDEDRP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550163 937146307 /nfs/dbraw/zinc/14/63/07/937146307.db2.gz BWHXPNQTAZJQPI-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=C(C)CN1CCO[C@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001108421229 927550597 /nfs/dbraw/zinc/55/05/97/927550597.db2.gz ILMGJKIOUWNXGC-MRXNPFEDSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001252491686 928727206 /nfs/dbraw/zinc/72/72/06/928727206.db2.gz UAPRFWGJYLXYPY-MELADBBJSA-N 2 0 256.390 1.012 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109652697 928998988 /nfs/dbraw/zinc/99/89/88/928998988.db2.gz FMAOLBLDGDLCIZ-RDBSUJKOSA-N 2 0 265.401 1.236 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC2CCCC2)CC1 ZINC001152323850 937353274 /nfs/dbraw/zinc/35/32/74/937353274.db2.gz FCBYBPSDOAYPHO-UHFFFAOYSA-N 2 0 291.439 1.228 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)c1ccccc1C[NH+](C)C ZINC001152393964 937358807 /nfs/dbraw/zinc/35/88/07/937358807.db2.gz UIYXUDDGFDKHRI-UHFFFAOYSA-N 2 0 295.814 1.820 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152392857 937358978 /nfs/dbraw/zinc/35/89/78/937358978.db2.gz WTOMUSOYYMNYSA-KGLIPLIRSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152427363 937361002 /nfs/dbraw/zinc/36/10/02/937361002.db2.gz XMRJJCFHGPDZQG-ZDUSSCGKSA-N 2 0 255.406 1.387 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780340 929897225 /nfs/dbraw/zinc/89/72/25/929897225.db2.gz BHOKYQGRQCAKRP-CQSZACIVSA-N 2 0 281.444 1.779 20 30 CDEDRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3cccc(C#N)n3)[C@@H]2C1 ZINC001275605887 931903753 /nfs/dbraw/zinc/90/37/53/931903753.db2.gz QFPSIKCSFGYHFF-WMLDXEAASA-N 2 0 299.422 1.021 20 30 CDEDRP C#Cc1ccc(C[N@H+](C)CCN2CC[NH+](C)CC2)cc1 ZINC001144576975 931908850 /nfs/dbraw/zinc/90/88/50/931908850.db2.gz ZBSNBYUVHUKVIW-UHFFFAOYSA-N 2 0 271.408 1.347 20 30 CDEDRP N#CC1CCC([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CC1 ZINC001246605119 932072344 /nfs/dbraw/zinc/07/23/44/932072344.db2.gz PKYNIOWTDNWEOY-UHFFFAOYSA-N 2 0 262.401 1.096 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001147428450 932495745 /nfs/dbraw/zinc/49/57/45/932495745.db2.gz GJBAMEIOFFNNDD-QGZVFWFLSA-N 2 0 289.423 1.745 20 30 CDEDRP C=CC[NH2+]CCNC(=O)CCC[NH+](CCC)CCC ZINC001147449121 932518373 /nfs/dbraw/zinc/51/83/73/932518373.db2.gz JNNWCIULRGVOBA-UHFFFAOYSA-N 2 0 269.433 1.780 20 30 CDEDRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC#Cc2ccccc2)C1 ZINC001147878102 932626323 /nfs/dbraw/zinc/62/63/23/932626323.db2.gz RVORNNPOGHEVDW-KRWDZBQOSA-N 2 0 299.418 1.086 20 30 CDEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110993330 933399831 /nfs/dbraw/zinc/39/98/31/933399831.db2.gz WXCPRXYLMNGOFN-LVQVYYBASA-N 2 0 293.455 1.870 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C[C@H]1CC ZINC001037965978 935322683 /nfs/dbraw/zinc/32/26/83/935322683.db2.gz GGBLPZLEVPFVBZ-ZIAGYGMSSA-N 2 0 290.411 1.663 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109429 938455144 /nfs/dbraw/zinc/45/51/44/938455144.db2.gz NSDBZLKZLAMGKW-CVEARBPZSA-N 2 0 293.455 1.711 20 30 CDEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158856468 938670917 /nfs/dbraw/zinc/67/09/17/938670917.db2.gz IOEBPQOTIPPAPM-HZPDHXFCSA-N 2 0 291.439 1.274 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160870284 938835100 /nfs/dbraw/zinc/83/51/00/938835100.db2.gz WYAAASYQHKJPGG-HUUCEWRRSA-N 2 0 277.412 1.123 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001161559105 938912562 /nfs/dbraw/zinc/91/25/62/938912562.db2.gz YZQFXNQBKWRRPC-UHFFFAOYSA-N 2 0 272.352 1.538 20 30 CDEDRP C#CC[C@H]([NH3+])C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161582240 938914371 /nfs/dbraw/zinc/91/43/71/938914371.db2.gz JKSHRNBQGATGTC-INIZCTEOSA-N 2 0 297.402 1.001 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1nccc(C#N)c1F ZINC001163125673 939205559 /nfs/dbraw/zinc/20/55/59/939205559.db2.gz GPPBDSREYSEKIV-UHFFFAOYSA-N 2 0 278.335 1.370 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001165764132 939576728 /nfs/dbraw/zinc/57/67/28/939576728.db2.gz MRHCXTSHLFUBCF-OAHLLOKOSA-N 2 0 291.439 1.370 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166668351 939624874 /nfs/dbraw/zinc/62/48/74/939624874.db2.gz ZPHHIAPRVZALOP-NSHDSACASA-N 2 0 273.808 1.177 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C12CCC2 ZINC001203312762 939682371 /nfs/dbraw/zinc/68/23/71/939682371.db2.gz UNHNDTUNZBQDDF-KBPBESRZSA-N 2 0 291.439 1.531 20 30 CDEDRP C=CCN(CC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1)C(=O)OCC ZINC001205599957 939907453 /nfs/dbraw/zinc/90/74/53/939907453.db2.gz ATCSYOBGQQQEAL-GJZGRUSLSA-N 2 0 297.443 1.938 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001206274499 940009704 /nfs/dbraw/zinc/00/97/04/940009704.db2.gz IOTDUVAQPVHYGV-HNNXBMFYSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206871469 940105396 /nfs/dbraw/zinc/10/53/96/940105396.db2.gz MQTKNELFKUAELY-MRXNPFEDSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CCN1CC[C@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001207435864 940195701 /nfs/dbraw/zinc/19/57/01/940195701.db2.gz YOJHLWVMYQGSQA-KRWDZBQOSA-N 2 0 291.439 1.487 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001208362136 940324642 /nfs/dbraw/zinc/32/46/42/940324642.db2.gz KZMDXSOQWZXZOJ-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001208424222 940330070 /nfs/dbraw/zinc/33/00/70/940330070.db2.gz WEDOPAWSCFHDLR-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208491204 940335519 /nfs/dbraw/zinc/33/55/19/940335519.db2.gz BYJVWCWPZFKBSV-OAHLLOKOSA-N 2 0 289.423 1.219 20 30 CDEDRP C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208692148 940371104 /nfs/dbraw/zinc/37/11/04/940371104.db2.gz VHJSWGVHKXFOKG-RTXFEEFZSA-N 2 0 287.835 1.516 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001209614460 940616785 /nfs/dbraw/zinc/61/67/85/940616785.db2.gz PLKOEJMYISMXFV-HOTGVXAUSA-N 2 0 293.455 1.711 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001209631619 940620217 /nfs/dbraw/zinc/62/02/17/940620217.db2.gz FZTHSQUZMKSEHH-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001209691781 940626739 /nfs/dbraw/zinc/62/67/39/940626739.db2.gz YHYOOTORNWCGJR-OAHLLOKOSA-N 2 0 293.455 1.568 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210744435 940710035 /nfs/dbraw/zinc/71/00/35/940710035.db2.gz QIZFXQOVDBFMRP-OAHLLOKOSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211344019 940748175 /nfs/dbraw/zinc/74/81/75/940748175.db2.gz XWBZMSWBOMWHQI-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214969206 940848999 /nfs/dbraw/zinc/84/89/99/940848999.db2.gz LIVKTIUKRURWRB-OAGGEKHMSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001214997947 940851274 /nfs/dbraw/zinc/85/12/74/940851274.db2.gz OUKDIRXEDWEKJQ-ZIAGYGMSSA-N 2 0 279.428 1.177 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)C[C@H]1C ZINC001215855119 940911473 /nfs/dbraw/zinc/91/14/73/940911473.db2.gz MFKNMTCGPCWMJF-UMVBOHGHSA-N 2 0 290.411 1.601 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216458863 940939214 /nfs/dbraw/zinc/93/92/14/940939214.db2.gz FOAJFMHZXQARAG-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216836103 940968098 /nfs/dbraw/zinc/96/80/98/940968098.db2.gz WXGZZVHVXZZZNQ-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP CC1(C)C[NH2+]CCc2ccc(O[C@H]3C[NH2+]C[C@@H]3C#N)cc21 ZINC001218199655 941043392 /nfs/dbraw/zinc/04/33/92/941043392.db2.gz BKNZQROCCOZPOE-BBRMVZONSA-N 2 0 285.391 1.600 20 30 CDEDRP N#Cc1c(NC(=O)[C@@H]2CCC[C@H]2[NH3+])sc2c1CC[NH2+]C2 ZINC001218554724 941235619 /nfs/dbraw/zinc/23/56/19/941235619.db2.gz WOEGBGWTKIJREB-MWLCHTKSSA-N 2 0 290.392 1.331 20 30 CDEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](C#N)c1ccccc1 ZINC001219557954 941355072 /nfs/dbraw/zinc/35/50/72/941355072.db2.gz GZCLKMLVUYVKNS-KBPBESRZSA-N 2 0 274.368 1.084 20 30 CDEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC1=CC(=O)CC(C)(C)C1 ZINC001220413880 941445374 /nfs/dbraw/zinc/44/53/74/941445374.db2.gz SDSYDDSAHGYYTM-ZDUSSCGKSA-N 2 0 281.400 1.093 20 30 CDEDRP CC(C)C[C@H](C#N)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220702788 941465182 /nfs/dbraw/zinc/46/51/82/941465182.db2.gz JQSOOZDTEXGVAA-KGLIPLIRSA-N 2 0 282.432 1.536 20 30 CDEDRP CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1[nH]ccc1C#N ZINC001276840004 941635728 /nfs/dbraw/zinc/63/57/28/941635728.db2.gz HLKYJUMOZCCZNS-HOTGVXAUSA-N 2 0 287.411 1.097 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001228064632 942263960 /nfs/dbraw/zinc/26/39/60/942263960.db2.gz KEAFXNWDACZXMP-UHFFFAOYSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001229186467 942429696 /nfs/dbraw/zinc/42/96/96/942429696.db2.gz WOYGVRHSXIATHX-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001229254109 942440661 /nfs/dbraw/zinc/44/06/61/942440661.db2.gz PRMMUKSONFOKJG-HNNXBMFYSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)C[NH+](CC)CC)CC1 ZINC001229664554 942506880 /nfs/dbraw/zinc/50/68/80/942506880.db2.gz RCJFOGSAPSQZPL-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001316610545 942567923 /nfs/dbraw/zinc/56/79/23/942567923.db2.gz TXHWZPWRURJFBD-OAHLLOKOSA-N 2 0 279.428 1.581 20 30 CDEDRP C=CCOCC[NH+]1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230367044 942612287 /nfs/dbraw/zinc/61/22/87/942612287.db2.gz PNHAJDJYSARMTO-UHFFFAOYSA-N 2 0 297.443 1.110 20 30 CDEDRP C[NH+](C)CCN1CC2(C1)CCC[N@H+](CCCCC#N)C2 ZINC001277952255 944197567 /nfs/dbraw/zinc/19/75/67/944197567.db2.gz WOIPFLFCHVPHIH-UHFFFAOYSA-N 2 0 278.444 1.640 20 30 CDEDRP N#Cc1cc(-c2nccc(C3C[NH2+]C3)n2)cc(C2C[NH2+]C2)c1 ZINC001240346795 945796663 /nfs/dbraw/zinc/79/66/63/945796663.db2.gz XVPNYGNFGXZOIR-UHFFFAOYSA-N 2 0 291.358 1.389 20 30 CDEDRP CC[C@H](CC#N)[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001255169498 947761125 /nfs/dbraw/zinc/76/11/25/947761125.db2.gz FYXLSJGCEQDRTH-QLFBSQMISA-N 2 0 264.417 1.389 20 30 CDEDRP C=CCOC[C@H](O)C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001246036703 947913892 /nfs/dbraw/zinc/91/38/92/947913892.db2.gz ZCUCKWSEGNFAAA-HZPDHXFCSA-N 2 0 282.428 1.404 20 30 CDEDRP C=CCOCc1nn(C2CC[NH2+]CC2)c2c1C[NH2+]C2 ZINC001246704414 948412110 /nfs/dbraw/zinc/41/21/10/948412110.db2.gz VCSDTSVCTJVHDC-UHFFFAOYSA-N 2 0 262.357 1.113 20 30 CDEDRP C=C[C@](C)(O)C[NH2+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC001252579545 951472542 /nfs/dbraw/zinc/47/25/42/951472542.db2.gz WGYVEAXSEWEHSM-KRWDZBQOSA-N 2 0 296.455 1.652 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001480566463 971788413 /nfs/dbraw/zinc/78/84/13/971788413.db2.gz URSSILONZZEIKN-LLVKDONJSA-N 2 0 261.797 1.175 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001366350188 956760838 /nfs/dbraw/zinc/76/08/38/956760838.db2.gz ZDHHYDPLLSPGRA-NEPJUHHUSA-N 2 0 275.824 1.419 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001370517495 960135288 /nfs/dbraw/zinc/13/52/88/960135288.db2.gz KUECZBVGZOCWST-HAQNSBGRSA-N 2 0 273.808 1.318 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001340061069 962717831 /nfs/dbraw/zinc/71/78/31/962717831.db2.gz HCKTWZFTUDNYSY-YPMHNXCESA-N 2 0 251.374 1.023 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001340471196 962950950 /nfs/dbraw/zinc/95/09/50/962950950.db2.gz IYOVVSUDLAGVKT-XQQFMLRXSA-N 2 0 253.390 1.113 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001340719134 963090424 /nfs/dbraw/zinc/09/04/24/963090424.db2.gz KYCQQQABUFLMFN-CHWSQXEVSA-N 2 0 267.417 1.659 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001341435037 963412849 /nfs/dbraw/zinc/41/28/49/963412849.db2.gz QLENKDBGNLIXRU-SGMGOOAPSA-N 2 0 251.374 1.010 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001200606408 968563165 /nfs/dbraw/zinc/56/31/65/968563165.db2.gz NMSKFINGNRMRIZ-MRXNPFEDSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001200840707 969002348 /nfs/dbraw/zinc/00/23/48/969002348.db2.gz LZAPYKWWCVLKDH-OAHLLOKOSA-N 2 0 299.434 1.823 20 30 CDEDRP C[C@@H](CC[NH2+]CCC(=O)Nc1cccc(C#N)c1)[NH+](C)C ZINC001356594240 969439707 /nfs/dbraw/zinc/43/97/07/969439707.db2.gz CGHJDXQSWFYBMS-ZDUSSCGKSA-N 2 0 288.395 1.817 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001495730090 972612630 /nfs/dbraw/zinc/61/26/30/972612630.db2.gz HDALYXADQYIXMF-NSHDSACASA-N 2 0 287.835 1.423 20 30 CDEDRP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001500514646 974445703 /nfs/dbraw/zinc/44/57/03/974445703.db2.gz ATUBHVJNSRPBQZ-NVXWUHKLSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001402503082 976322845 /nfs/dbraw/zinc/32/28/45/976322845.db2.gz PQYZICKKCWMZKB-HAQNSBGRSA-N 2 0 285.819 1.460 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132995283 1163532716 /nfs/dbraw/zinc/53/27/16/1163532716.db2.gz QCECWOBIMBUJQF-UHFFFAOYSA-N 2 0 253.390 1.000 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001133073275 1163551335 /nfs/dbraw/zinc/55/13/35/1163551335.db2.gz SBGNFPBUOVWFGS-JKSUJKDBSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001133276187 1163623851 /nfs/dbraw/zinc/62/38/51/1163623851.db2.gz ZTGRZIZTOODQLU-HOTGVXAUSA-N 2 0 295.471 1.979 20 30 CDEDRP C[C@H](CCNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]1CCCCC1 ZINC001575962537 1171304579 /nfs/dbraw/zinc/30/45/79/1171304579.db2.gz SWCQKQMQBZHFQS-KGLIPLIRSA-N 2 0 280.416 1.388 20 30 CDEDRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC001576117417 1171335496 /nfs/dbraw/zinc/33/54/96/1171335496.db2.gz OGYQWJOKOAQRCT-AVGNSLFASA-N 2 0 251.374 1.100 20 30 CDEDRP CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000080848631 342361574 /nfs/dbraw/zinc/36/15/74/342361574.db2.gz OOAQAOXSOPGNBK-AWEZNQCLSA-N 2 0 260.385 1.575 20 30 CDEDRP C[NH+](C)CC1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598585713 343835607 /nfs/dbraw/zinc/83/56/07/343835607.db2.gz JTVDTUOOEFCBBP-CQSZACIVSA-N 2 0 267.417 1.561 20 30 CDEDRP C[NH+]1CCC2(CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C2)CC1 ZINC000602878930 344632122 /nfs/dbraw/zinc/63/21/22/344632122.db2.gz VBFHRAKKNNKGLD-AWEZNQCLSA-N 2 0 279.428 1.705 20 30 CDEDRP C[C@@H]1CN(CCCC#N)CC[N@@H+]1C1CCN(C)CC1 ZINC000355028412 365845821 /nfs/dbraw/zinc/84/58/21/365845821.db2.gz GOWXISDLKQYJRF-CQSZACIVSA-N 2 0 264.417 1.390 20 30 CDEDRP CN1CC[NH+](CCCC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000619672019 347723081 /nfs/dbraw/zinc/72/30/81/347723081.db2.gz NJMOOYCQWLHGPH-CABCVRRESA-N 2 0 264.417 1.296 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCc1ccccc1OCC[NH+](C)C ZINC000264071192 362957954 /nfs/dbraw/zinc/95/79/54/362957954.db2.gz DIGBHMYUKWFWDW-UHFFFAOYSA-N 2 0 290.411 1.607 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(O)cc1 ZINC000264100455 362966633 /nfs/dbraw/zinc/96/66/33/362966633.db2.gz MTXDZKCYUGZCOO-ZDUSSCGKSA-N 2 0 276.384 1.281 20 30 CDEDRP C[NH+]=C(NCCC1CC[NH+](C)CC1)NCc1ccco1 ZINC000264096050 362965824 /nfs/dbraw/zinc/96/58/24/362965824.db2.gz XONQTEWGEPIEFP-UHFFFAOYSA-N 2 0 278.400 1.677 20 30 CDEDRP C=CCOCCC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000348048837 359799459 /nfs/dbraw/zinc/79/94/59/359799459.db2.gz NZRSCVPFRZBEBS-KRWDZBQOSA-N 2 0 295.471 1.681 20 30 CDEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200000 360085076 /nfs/dbraw/zinc/08/50/76/360085076.db2.gz VHXRVILWRMUOPP-INIZCTEOSA-N 2 0 291.439 1.651 20 30 CDEDRP C=CCNC(=O)[C@H](C)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157180421 360781294 /nfs/dbraw/zinc/78/12/94/360781294.db2.gz DDIGBRGOLOFRQA-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])NCc1ccccc1OC ZINC000170912918 365162966 /nfs/dbraw/zinc/16/29/66/365162966.db2.gz OIWQYTJXLVTYPK-CYBMUJFWSA-N 2 0 292.427 1.830 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000302946738 367025612 /nfs/dbraw/zinc/02/56/12/367025612.db2.gz CTRQIGMCTMPKOV-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCN(CC=C)C(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358502882 367731859 /nfs/dbraw/zinc/73/18/59/367731859.db2.gz CRXNDDFWBGEZOD-UHFFFAOYSA-N 2 0 277.412 1.263 20 30 CDEDRP C=CCNC(=O)[C@@H](C)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860816 369469996 /nfs/dbraw/zinc/46/99/96/369469996.db2.gz XLXGNTBBDZRWTI-KGLIPLIRSA-N 2 0 267.417 1.483 20 30 CDEDRP C[C@@H]1CCCC[N@@H+]1CCCCNC1=[NH+]CCCN1 ZINC000341609109 373826444 /nfs/dbraw/zinc/82/64/44/373826444.db2.gz DAPGCJAVMLHBKL-CYBMUJFWSA-N 2 0 252.406 1.580 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000417528388 377858088 /nfs/dbraw/zinc/85/80/88/377858088.db2.gz OEPLGHPPQILHET-AWEZNQCLSA-N 2 0 294.443 1.407 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cnc(C)s1 ZINC000104177944 390487023 /nfs/dbraw/zinc/48/70/23/390487023.db2.gz NWLIZCRYDZEADF-NSHDSACASA-N 2 0 281.429 1.340 20 30 CDEDRP C=CCOc1ccccc1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647493413 390969762 /nfs/dbraw/zinc/96/97/62/390969762.db2.gz MQISLOHRLDLFIF-UHFFFAOYSA-N 2 0 289.423 1.588 20 30 CDEDRP C[NH+]=C(NCc1cccs1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262013375 390983846 /nfs/dbraw/zinc/98/38/46/390983846.db2.gz XEBMJLKGPPFTFG-RISCZKNCSA-N 2 0 292.452 1.896 20 30 CDEDRP C=CCCC[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000361014417 391678019 /nfs/dbraw/zinc/67/80/19/391678019.db2.gz ZWHQZDVQIZCNIC-HNNXBMFYSA-N 2 0 251.418 1.664 20 30 CDEDRP N#Cc1cccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000237976228 131070336 /nfs/dbraw/zinc/07/03/36/131070336.db2.gz LPGGCNYTYGOOTC-QGZVFWFLSA-N 2 0 287.407 1.885 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)CCC[NH3+])C(C)C ZINC000269234570 132138415 /nfs/dbraw/zinc/13/84/15/132138415.db2.gz KZVASJRZHJOFIC-AWEZNQCLSA-N 2 0 267.417 1.540 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC000660703805 413393115 /nfs/dbraw/zinc/39/31/15/413393115.db2.gz HEXPOAZMODWPLP-HNNXBMFYSA-N 2 0 294.443 1.420 20 30 CDEDRP C=CC[C@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000656787164 413664387 /nfs/dbraw/zinc/66/43/87/413664387.db2.gz FBBDWGHBOSCGQQ-GJZGRUSLSA-N 2 0 279.428 1.472 20 30 CDEDRP C=CC[N@@H+](CC(=O)N1CCN(C)CC1)C(C)(C)C ZINC000661755595 414337679 /nfs/dbraw/zinc/33/76/79/414337679.db2.gz VMTHYBGVUSRUBA-UHFFFAOYSA-N 2 0 253.390 1.047 20 30 CDEDRP C=CCOc1cccc(C[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000414785292 263047104 /nfs/dbraw/zinc/04/71/04/263047104.db2.gz UXHRKIYUIHXMOQ-UHFFFAOYSA-N 2 0 289.423 1.636 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C[C@H](C)[NH3+])C(C)C ZINC000340186205 263084382 /nfs/dbraw/zinc/08/43/82/263084382.db2.gz ZLKFWELXCLSIIA-KBPBESRZSA-N 2 0 267.417 1.539 20 30 CDEDRP C=CCOc1cccc(C[NH+]2CCC(O)(C[NH3+])CC2)c1 ZINC000415141950 263277276 /nfs/dbraw/zinc/27/72/76/263277276.db2.gz OSVWOPMUWGTART-UHFFFAOYSA-N 2 0 276.380 1.537 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C1CC[NH2+]CC1)C(C)C ZINC000165197373 264122410 /nfs/dbraw/zinc/12/24/10/264122410.db2.gz WTEPABFTOGYIHN-MRXNPFEDSA-N 2 0 293.455 1.801 20 30 CDEDRP C=CC[C@]1(C(=O)NCC[N@@H+](C)[C@H](C)CC)CCC[NH2+]1 ZINC000662713765 424365544 /nfs/dbraw/zinc/36/55/44/424365544.db2.gz YLFWMDSRAIZSHQ-UKRRQHHQSA-N 2 0 267.417 1.531 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000362890109 267057197 /nfs/dbraw/zinc/05/71/97/267057197.db2.gz XWAFYWWRGHKBLC-CVEARBPZSA-N 2 0 289.423 1.027 20 30 CDEDRP N#CCCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363018612 267073122 /nfs/dbraw/zinc/07/31/22/267073122.db2.gz ZRJUOWVEOJLHAB-UHFFFAOYSA-N 2 0 265.401 1.724 20 30 CDEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353392459 278261201 /nfs/dbraw/zinc/26/12/01/278261201.db2.gz ZPFPVAQYLQXKAU-KBXCAEBGSA-N 2 0 298.434 1.771 20 30 CDEDRP C[C@H]1CCCN(C(=[NH2+])NCCN2CCOCC2(C)C)C1 ZINC000170914944 329072458 /nfs/dbraw/zinc/07/24/58/329072458.db2.gz YRQNZJYZBPWIRK-ZDUSSCGKSA-N 2 0 282.432 1.144 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccncc1 ZINC000267405309 328178427 /nfs/dbraw/zinc/17/84/27/328178427.db2.gz GWPVNXHCNZTIIH-AWEZNQCLSA-N 2 0 275.400 1.013 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001167523306 1159107901 /nfs/dbraw/zinc/10/79/01/1159107901.db2.gz XUGBKASLILZALZ-UHFFFAOYSA-N 2 0 293.455 1.780 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000171734773 329079457 /nfs/dbraw/zinc/07/94/57/329079457.db2.gz IRHNLSIPKVGWOB-ZDUSSCGKSA-N 2 0 294.443 1.419 20 30 CDEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(CCOC(C)C)CC1 ZINC000177486393 329184664 /nfs/dbraw/zinc/18/46/64/329184664.db2.gz IMCYEDVBOLXEIY-CQSZACIVSA-N 2 0 297.443 1.156 20 30 CDEDRP COC1CC[NH+](C(C)(C)C[NH+]=C(N(C)C)N(C)C)CC1 ZINC000262513858 330019069 /nfs/dbraw/zinc/01/90/69/330019069.db2.gz FLPURMPYCUVOJE-UHFFFAOYSA-N 2 0 284.448 1.355 20 30 CDEDRP C#CCNC(NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)=[NH+]CC ZINC000262627852 330023305 /nfs/dbraw/zinc/02/33/05/330023305.db2.gz UDWGRNCBOZRUAD-AWEZNQCLSA-N 2 0 278.444 1.685 20 30 CDEDRP C#CCNC(NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)=[NH+]CC ZINC000262636105 330023727 /nfs/dbraw/zinc/02/37/27/330023727.db2.gz ZNGIUSGNYXHIKU-KGLIPLIRSA-N 2 0 264.417 1.295 20 30 CDEDRP C[NH+]=C(NCc1c(C)noc1C)N[C@H]1CCN(C2CC2)C1 ZINC000262738732 330029119 /nfs/dbraw/zinc/02/91/19/330029119.db2.gz DCEFTSKVDWVUKN-LBPRGKRZSA-N 2 0 291.399 1.193 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](OC)C12CCC2 ZINC000263176770 330047462 /nfs/dbraw/zinc/04/74/62/330047462.db2.gz SUVLUXQHTPOZDZ-RDBSUJKOSA-N 2 0 294.443 1.333 20 30 CDEDRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424132130 330264252 /nfs/dbraw/zinc/26/42/52/330264252.db2.gz KKLQZTVTPLXKCM-GJZGRUSLSA-N 2 0 294.443 1.778 20 30 CDEDRP C=CCC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)C1CC1 ZINC000121014578 330394900 /nfs/dbraw/zinc/39/49/00/330394900.db2.gz CKOYQOTXTHFMOM-GDBMZVCRSA-N 2 0 265.445 1.957 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CCC)CC2)CC1 ZINC000490574848 332092831 /nfs/dbraw/zinc/09/28/31/332092831.db2.gz BVIJEIPNTWUFDI-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000490651662 332100012 /nfs/dbraw/zinc/10/00/12/332100012.db2.gz UXZGNCOJTBXXII-INIZCTEOSA-N 2 0 289.423 1.027 20 30 CDEDRP C#CCN(C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000491209480 332166151 /nfs/dbraw/zinc/16/61/51/332166151.db2.gz HVDBBORGSLXGFH-ARFHVFGLSA-N 2 0 263.429 1.404 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001754824527 1159467649 /nfs/dbraw/zinc/46/76/49/1159467649.db2.gz CHVLEXJJZROMOZ-HOTGVXAUSA-N 2 0 293.455 1.426 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001732435147 1160578185 /nfs/dbraw/zinc/57/81/85/1160578185.db2.gz FNELZSCYGJFMTN-HUUCEWRRSA-N 2 0 283.460 1.975 20 30 CDEDRP CC#CC[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001752901383 1161934603 /nfs/dbraw/zinc/93/46/03/1161934603.db2.gz PIOKDEJTVYDWOH-XJKSGUPXSA-N 2 0 297.418 1.317 20 30 CDEDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000069681199 521691684 /nfs/dbraw/zinc/69/16/84/521691684.db2.gz AMXFYQNZGXVCOA-HNNXBMFYSA-N 2 0 286.423 1.674 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000728605353 574638879 /nfs/dbraw/zinc/63/88/79/574638879.db2.gz ZFXMWXYKEZJKCM-INIZCTEOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000764608135 575925528 /nfs/dbraw/zinc/92/55/28/575925528.db2.gz BNURSJFPZCNCRK-CHWSQXEVSA-N 2 0 253.390 1.093 20 30 CDEDRP C#CCCC[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000766904163 576144690 /nfs/dbraw/zinc/14/46/90/576144690.db2.gz XPBBRRBJRHOYEG-OAHLLOKOSA-N 2 0 252.402 1.833 20 30 CDEDRP CC[N@@H+]1CCC(=NNCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000741461645 576560184 /nfs/dbraw/zinc/56/01/84/576560184.db2.gz NHBDARIQFKBLHU-CQSZACIVSA-N 2 0 266.433 1.780 20 30 CDEDRP C#CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000981282938 613003435 /nfs/dbraw/zinc/00/34/35/613003435.db2.gz LHSLIMUMWMYOCG-INIZCTEOSA-N 2 0 291.439 1.418 20 30 CDEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000969701890 613248046 /nfs/dbraw/zinc/24/80/46/613248046.db2.gz ZDLYKXNCQSIAHI-IIAWOOMASA-N 2 0 293.455 1.729 20 30 CDEDRP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000980833503 613254264 /nfs/dbraw/zinc/25/42/64/613254264.db2.gz HLIQHBQKUYCHIA-OAHLLOKOSA-N 2 0 279.428 1.581 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979054654 613278699 /nfs/dbraw/zinc/27/86/99/613278699.db2.gz VWMGDURZTQVAHD-YHUYYLMFSA-N 2 0 291.439 1.198 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000968851674 613348705 /nfs/dbraw/zinc/34/87/05/613348705.db2.gz VURDCFJJYCGSEJ-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000981960237 613494259 /nfs/dbraw/zinc/49/42/59/613494259.db2.gz ULXCXMVUEYBZHW-HUUCEWRRSA-N 2 0 279.428 1.295 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978155080 613560105 /nfs/dbraw/zinc/56/01/05/613560105.db2.gz NKEDUQVKHPYMFU-QCODTGAPSA-N 2 0 291.439 1.197 20 30 CDEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000960180605 613564598 /nfs/dbraw/zinc/56/45/98/613564598.db2.gz IHGNJQVKHWCWPP-XUWVNRHRSA-N 2 0 291.439 1.483 20 30 CDEDRP C=CC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975046649 613826510 /nfs/dbraw/zinc/82/65/10/613826510.db2.gz DMYSEPISKVSFST-AWEZNQCLSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000961960437 613840126 /nfs/dbraw/zinc/84/01/26/613840126.db2.gz OWUZSMLEINRWSM-CAOSSQGBSA-N 2 0 291.439 1.483 20 30 CDEDRP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000981194384 613861719 /nfs/dbraw/zinc/86/17/19/613861719.db2.gz LFTKZAQEJGQLCC-CABCVRRESA-N 2 0 291.439 1.818 20 30 CDEDRP CC[N@H+](CCNC(=[NH2+])N1CCSCC1)C(C)C ZINC000104191589 617484392 /nfs/dbraw/zinc/48/43/92/617484392.db2.gz CUIIIECFGVUGME-UHFFFAOYSA-N 2 0 258.435 1.080 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911674588 629404990 /nfs/dbraw/zinc/40/49/90/629404990.db2.gz VGAKANAQTVJYHD-UONOGXRCSA-N 2 0 269.433 1.933 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000157396186 630597998 /nfs/dbraw/zinc/59/79/98/630597998.db2.gz UETIOJVPPLVFCT-OAHLLOKOSA-N 2 0 298.475 1.685 20 30 CDEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001110102035 1162465237 /nfs/dbraw/zinc/46/52/37/1162465237.db2.gz PSIWMACMUGWEPA-WCVJEAGWSA-N 2 0 291.439 1.626 20 30 CDEDRP C=CC[NH2+]CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001753575106 1159854111 /nfs/dbraw/zinc/85/41/11/1159854111.db2.gz LDKIVYIOCRNHKF-UHFFFAOYSA-N 2 0 279.428 1.487 20 30 CDEDRP C#CC[NH2+]CC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381766102 1160000720 /nfs/dbraw/zinc/00/07/20/1160000720.db2.gz NSJGHHHXPGWNPP-RDJZCZTQSA-N 2 0 299.418 1.236 20 30 CDEDRP C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH2+]CC1 ZINC001273030630 1161484150 /nfs/dbraw/zinc/48/41/50/1161484150.db2.gz OMPNQMAAAKQTJT-KRWDZBQOSA-N 2 0 289.423 1.076 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132884809 1163499520 /nfs/dbraw/zinc/49/95/20/1163499520.db2.gz WGUBTUMDCSSODJ-LSDHHAIUSA-N 2 0 291.439 1.178 20 30 CDEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176192909 1164306901 /nfs/dbraw/zinc/30/69/01/1164306901.db2.gz QCDQFKMILMABAT-OAHLLOKOSA-N 2 0 291.439 1.370 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1csc(C#N)c1 ZINC001647212087 1168454032 /nfs/dbraw/zinc/45/40/32/1168454032.db2.gz DROQCVJHQIHEPQ-UHFFFAOYSA-N 2 0 294.424 1.185 20 30 CDEDRP C#CC[C@]1(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CCC[NH2+]1 ZINC001574516394 1170990887 /nfs/dbraw/zinc/99/08/87/1170990887.db2.gz FNWZRQNICLGHLT-WMLDXEAASA-N 2 0 291.439 1.369 20 30 CDEDRP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC001579139078 1172104268 /nfs/dbraw/zinc/10/42/68/1172104268.db2.gz KQSAFICVFVORJO-CYBMUJFWSA-N 2 0 289.379 1.616 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001698679360 1175893767 /nfs/dbraw/zinc/89/37/67/1175893767.db2.gz IBNGNSQHDZAANK-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001752039213 1184809651 /nfs/dbraw/zinc/80/96/51/1184809651.db2.gz LEORLLZIUQQMCK-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C#CCC[N@H+](CC)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001753084453 1185048410 /nfs/dbraw/zinc/04/84/10/1185048410.db2.gz PVNLACQVHITSCW-UHFFFAOYSA-N 2 0 298.390 1.718 20 30 CDEDRP CC#CC[N@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)C1CC1 ZINC001753160572 1185092666 /nfs/dbraw/zinc/09/26/66/1185092666.db2.gz SULIFQWHVLVWQH-UHFFFAOYSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001753868473 1185373576 /nfs/dbraw/zinc/37/35/76/1185373576.db2.gz JHHKIKUWPPROGQ-GJZGRUSLSA-N 2 0 281.444 1.683 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001753897595 1185385407 /nfs/dbraw/zinc/38/54/07/1185385407.db2.gz LTRMSSZQDXDRFV-UONOGXRCSA-N 2 0 267.417 1.389 20 30 CDEDRP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001754316697 1185572769 /nfs/dbraw/zinc/57/27/69/1185572769.db2.gz QUQOVFMMTSTIHN-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H](C)C1 ZINC001754604578 1185679645 /nfs/dbraw/zinc/67/96/45/1185679645.db2.gz PLIZMPJRHTVICT-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001754826036 1185742464 /nfs/dbraw/zinc/74/24/64/1185742464.db2.gz UITBIHXBHCFRJA-CVEARBPZSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001754950583 1185769102 /nfs/dbraw/zinc/76/91/02/1185769102.db2.gz QNGIHGDQYINFMY-JYJNAYRXSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001755166831 1185836643 /nfs/dbraw/zinc/83/66/43/1185836643.db2.gz GVTBSZAPIXACOV-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001755195188 1185848409 /nfs/dbraw/zinc/84/84/09/1185848409.db2.gz KUTHZEHQBAHCMJ-HZPDHXFCSA-N 2 0 291.439 1.417 20 30 CDEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001755199149 1185850445 /nfs/dbraw/zinc/85/04/45/1185850445.db2.gz PZJHLDSXTJPTBB-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001755325934 1185919740 /nfs/dbraw/zinc/91/97/40/1185919740.db2.gz FRGUXGXZTKPAID-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001755388930 1185939053 /nfs/dbraw/zinc/93/90/53/1185939053.db2.gz MAVPUDRLEXAWSN-ZIAGYGMSSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001755676509 1186033952 /nfs/dbraw/zinc/03/39/52/1186033952.db2.gz QFNVLBAYWSCHLM-UONOGXRCSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001755748666 1186056568 /nfs/dbraw/zinc/05/65/68/1186056568.db2.gz YALCVAROCZPBLY-LSDHHAIUSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)C[NH+]2CCCC2)CC1 ZINC001755846075 1186088253 /nfs/dbraw/zinc/08/82/53/1186088253.db2.gz LFVHDIZELJPDEY-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[C@H](C)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000883437586 738405468 /nfs/dbraw/zinc/40/54/68/738405468.db2.gz WEDMOCZJVSCCSE-YUTCNCBUSA-N 2 0 279.384 1.208 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC)CC1 ZINC000997150432 738412768 /nfs/dbraw/zinc/41/27/68/738412768.db2.gz YEWIHHMISDQCLI-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001005185130 736353725 /nfs/dbraw/zinc/35/37/25/736353725.db2.gz QPEPUUQIZZHQFH-HNNXBMFYSA-N 2 0 277.412 1.027 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001019094636 736396532 /nfs/dbraw/zinc/39/65/32/736396532.db2.gz FCFLRSSPOXELPQ-ZDUSSCGKSA-N 2 0 270.336 1.324 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033198734 736439319 /nfs/dbraw/zinc/43/93/19/736439319.db2.gz NAWBHEXHNBNJPM-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]C(C)C)CC1 ZINC001035131552 736444923 /nfs/dbraw/zinc/44/49/23/736444923.db2.gz NQYHVYZGEGCDSJ-MRXNPFEDSA-N 2 0 291.439 1.321 20 30 CDEDRP C[C@H](C#N)OCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000801941441 736462828 /nfs/dbraw/zinc/46/28/28/736462828.db2.gz ZUKOQNLWVXGWEO-CQSZACIVSA-N 2 0 267.417 1.969 20 30 CDEDRP CC(=NNC1=[NH+]C[C@H](C)N1)c1cccc(C[NH+](C)C)c1 ZINC000814898798 736560443 /nfs/dbraw/zinc/56/04/43/736560443.db2.gz WHJYMNRYLIQFLN-NSHDSACASA-N 2 0 273.384 1.410 20 30 CDEDRP C#CC[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033154301 736641431 /nfs/dbraw/zinc/64/14/31/736641431.db2.gz ZPMJQEFMSBZGDH-HOTGVXAUSA-N 2 0 291.439 1.415 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001002143796 736781722 /nfs/dbraw/zinc/78/17/22/736781722.db2.gz CKVJACPMNKDYKR-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990761255 736762073 /nfs/dbraw/zinc/76/20/73/736762073.db2.gz IGDUFBOQOZCLGY-AIANPOQGSA-N 2 0 291.439 1.626 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000987252299 736868740 /nfs/dbraw/zinc/86/87/40/736868740.db2.gz FDNCJAXZPRIZLJ-GJZGRUSLSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC ZINC001027940453 736968201 /nfs/dbraw/zinc/96/82/01/736968201.db2.gz NBLQCQBRQSPJHD-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP CC#CC[NH+]1CCC(C)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001045622414 737072454 /nfs/dbraw/zinc/07/24/54/737072454.db2.gz ATOBEEBWVSLJJP-UHFFFAOYSA-N 2 0 289.423 1.076 20 30 CDEDRP C[NH+]=C(NC[C@@H]1[N@H+](C)CCCC1(C)C)NC1CC1 ZINC000849024020 737186403 /nfs/dbraw/zinc/18/64/03/737186403.db2.gz OKTJIBDBQQRDGJ-LBPRGKRZSA-N 2 0 252.406 1.434 20 30 CDEDRP C[C@@H](CNC(=[NH2+])NC(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000261979810 738477435 /nfs/dbraw/zinc/47/74/35/738477435.db2.gz HLTJWPHRXNQYNB-NEPJUHHUSA-N 2 0 254.422 1.810 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001020146184 737341327 /nfs/dbraw/zinc/34/13/27/737341327.db2.gz XCNGGOBDSDHIOP-IHRRRGAJSA-N 2 0 265.401 1.282 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001824404 737423099 /nfs/dbraw/zinc/42/30/99/737423099.db2.gz FSLHDHKUZXPNRR-ZBFHGGJFSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1(C)C ZINC000995826134 737550589 /nfs/dbraw/zinc/55/05/89/737550589.db2.gz OUFGRYLMSZHPNR-RRFJBIMHSA-N 2 0 293.455 1.729 20 30 CDEDRP C[C@H](C#N)OCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000381068870 737579389 /nfs/dbraw/zinc/57/93/89/737579389.db2.gz AUOYTMOHMOAZCD-HZSPNIEDSA-N 2 0 251.374 1.331 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC000989392857 737600604 /nfs/dbraw/zinc/60/06/04/737600604.db2.gz XRHTWBDRCPMMGU-DZGCQCFKSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001000676273 737625639 /nfs/dbraw/zinc/62/56/39/737625639.db2.gz BNZIDCZDNCQHCH-INIZCTEOSA-N 2 0 291.439 1.794 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC000996665370 737801524 /nfs/dbraw/zinc/80/15/24/737801524.db2.gz BSMCQXGGLSKLAS-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001038339789 737808215 /nfs/dbraw/zinc/80/82/15/737808215.db2.gz JVXAYOVGVMKCPF-CVEARBPZSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CC ZINC001037957164 737812342 /nfs/dbraw/zinc/81/23/42/737812342.db2.gz FRZBJZKDRMNBMF-CABCVRRESA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001034012226 737840767 /nfs/dbraw/zinc/84/07/67/737840767.db2.gz CPFVVAUDYAXZRV-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000999683191 737899551 /nfs/dbraw/zinc/89/95/51/737899551.db2.gz YKOBCPFJYIILNA-HSBZDZAISA-N 2 0 265.401 1.093 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031728972 737905118 /nfs/dbraw/zinc/90/51/18/737905118.db2.gz FEVGTYIUKUIRHV-INIZCTEOSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CC[C@H](CCOC)[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000862548439 737950509 /nfs/dbraw/zinc/95/05/09/737950509.db2.gz GFLYZGOOQGEFSL-ZBFHGGJFSA-N 2 0 280.412 1.258 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000883131549 738011630 /nfs/dbraw/zinc/01/16/30/738011630.db2.gz HGXPLYFERIDELW-UHFFFAOYSA-N 2 0 299.418 1.624 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000989606793 738032368 /nfs/dbraw/zinc/03/23/68/738032368.db2.gz VBFKCVRJSRQBNF-CABCVRRESA-N 2 0 279.428 1.483 20 30 CDEDRP C[NH+]=C(NCCN(C)C1CC1)N1CCS[C@H](C(C)C)C1 ZINC000261829572 738066917 /nfs/dbraw/zinc/06/69/17/738066917.db2.gz VHRAGTCVZYGFFW-AWEZNQCLSA-N 2 0 298.500 1.729 20 30 CDEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1ccnc1 ZINC001039312598 738077590 /nfs/dbraw/zinc/07/75/90/738077590.db2.gz CEOPWCBYYKURKH-GOOCMWNKSA-N 2 0 286.379 1.018 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015089180 738144438 /nfs/dbraw/zinc/14/44/38/738144438.db2.gz HQRWIAQNFPTWNQ-OAHLLOKOSA-N 2 0 291.439 1.772 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001019187140 738279224 /nfs/dbraw/zinc/27/92/24/738279224.db2.gz KHNZZFLNGBNQBR-HOTGVXAUSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000817903397 738314230 /nfs/dbraw/zinc/31/42/30/738314230.db2.gz BMCPHYQZCVQLOV-NSHDSACASA-N 2 0 274.792 1.650 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001008535596 738371971 /nfs/dbraw/zinc/37/19/71/738371971.db2.gz UKAXOUSJOBHPIX-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CCN1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007325809 738378148 /nfs/dbraw/zinc/37/81/48/738378148.db2.gz HIHCSBOOJONQNP-HOTGVXAUSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001027628565 738570765 /nfs/dbraw/zinc/57/07/65/738570765.db2.gz FEPWKIHCQFSKTE-INIZCTEOSA-N 2 0 291.439 1.274 20 30 CDEDRP N#Cc1ccc(NCC[NH2+][C@H]2CCC[C@H]([NH3+])C2)nc1 ZINC000925893897 738638096 /nfs/dbraw/zinc/63/80/96/738638096.db2.gz RWWTXEBELGKGEW-STQMWFEESA-N 2 0 259.357 1.225 20 30 CDEDRP C[NH+]=C(NCC[C@H]1CCC[N@H+](C)C1)NCc1ccco1 ZINC000849040905 738674227 /nfs/dbraw/zinc/67/42/27/738674227.db2.gz FXUAWFBCICTNDE-CYBMUJFWSA-N 2 0 278.400 1.677 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000996904889 738686812 /nfs/dbraw/zinc/68/68/12/738686812.db2.gz PHSHMXJZXQQPQX-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001005478018 738742121 /nfs/dbraw/zinc/74/21/21/738742121.db2.gz SYDWEQBQDRKXDP-MRXNPFEDSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001006442606 738792387 /nfs/dbraw/zinc/79/23/87/738792387.db2.gz JPORLTNKDNZOJZ-INIZCTEOSA-N 2 0 291.439 1.417 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001001418767 738854324 /nfs/dbraw/zinc/85/43/24/738854324.db2.gz LTWKKHGBJIKYLJ-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001025818368 738869070 /nfs/dbraw/zinc/86/90/70/738869070.db2.gz BDGHDTFCMTVKNS-AALSBFMBSA-N 2 0 289.423 1.236 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOC1CCCC1 ZINC000170908347 739085280 /nfs/dbraw/zinc/08/52/80/739085280.db2.gz JXSRYWQSACHQBA-CYBMUJFWSA-N 2 0 282.432 1.334 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001044729379 738916567 /nfs/dbraw/zinc/91/65/67/738916567.db2.gz TXOLUBITLAQGAO-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C[NH+]=C(NCC(C)(C)SC)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261834039 738925787 /nfs/dbraw/zinc/92/57/87/738925787.db2.gz VTPSGKKEOYZFJK-DGCLKSJQSA-N 2 0 298.500 1.776 20 30 CDEDRP C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001038410668 736536510 /nfs/dbraw/zinc/53/65/10/736536510.db2.gz QUDXSMMLBFYZLR-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CC(C)C)C2)CC1 ZINC001044333699 736553116 /nfs/dbraw/zinc/55/31/16/736553116.db2.gz XLVQMDSWLKYSLG-UHFFFAOYSA-N 2 0 291.439 1.130 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001018966633 736567875 /nfs/dbraw/zinc/56/78/75/736567875.db2.gz ONOUQRCAICGCDO-GJZGRUSLSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027518873 736665622 /nfs/dbraw/zinc/66/56/22/736665622.db2.gz BANLPGAXXYDLGM-HNNXBMFYSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[NH+]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989474833 736695324 /nfs/dbraw/zinc/69/53/24/736695324.db2.gz LZDMRGZMTMVOIJ-CQSZACIVSA-N 2 0 265.401 1.049 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001036225468 736747504 /nfs/dbraw/zinc/74/75/04/736747504.db2.gz OTXMFPDKEHCRLF-HOTGVXAUSA-N 2 0 291.439 1.178 20 30 CDEDRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])N2CCCCC2)C1 ZINC000303891688 736795952 /nfs/dbraw/zinc/79/59/52/736795952.db2.gz NFWBUXPLXXYWBB-ZDUSSCGKSA-N 2 0 252.406 1.519 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001020432555 736984298 /nfs/dbraw/zinc/98/42/98/736984298.db2.gz QGZGTBSRRDSOKQ-WKILWMFISA-N 2 0 299.418 1.274 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049729792 737021778 /nfs/dbraw/zinc/02/17/78/737021778.db2.gz XNHSJUVHJNPUOR-XHSDSOJGSA-N 2 0 293.455 1.968 20 30 CDEDRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)CC1(C#N)CCC1 ZINC000886035059 737268763 /nfs/dbraw/zinc/26/87/63/737268763.db2.gz IOFRSCQKMDVGDN-OWCLPIDISA-N 2 0 291.439 1.990 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001006924734 737407266 /nfs/dbraw/zinc/40/72/66/737407266.db2.gz IVFDCFLCAMTYSS-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001041680718 737586545 /nfs/dbraw/zinc/58/65/45/737586545.db2.gz VBMPMWXTGAATKI-DOTOQJQBSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[N@H+]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001029001333 738211252 /nfs/dbraw/zinc/21/12/52/738211252.db2.gz VEUDRUHCPXQZLR-MRXNPFEDSA-N 2 0 299.418 1.433 20 30 CDEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000997182276 738239326 /nfs/dbraw/zinc/23/93/26/738239326.db2.gz VYHKTTZVGFXLTM-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033835329 738272765 /nfs/dbraw/zinc/27/27/65/738272765.db2.gz YECGRKTZQHOJJO-OWCLPIDISA-N 2 0 293.455 1.826 20 30 CDEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001035728593 738355220 /nfs/dbraw/zinc/35/52/20/738355220.db2.gz MWTQLTYMRBYPGT-HNNXBMFYSA-N 2 0 291.439 1.130 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001022152124 738398719 /nfs/dbraw/zinc/39/87/19/738398719.db2.gz WOPMZJPOVFSBHI-BETUJISGSA-N 2 0 293.436 1.846 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001032730945 739024722 /nfs/dbraw/zinc/02/47/22/739024722.db2.gz UXWGHABBLXHSSD-KKUMJFAQSA-N 2 0 277.412 1.189 20 30 CDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1nc2c(s1)C[NH2+]CC2 ZINC001574961259 1167643636 /nfs/dbraw/zinc/64/36/36/1167643636.db2.gz ZIKAQTVLSVNJCA-JQWIXIFHSA-N 2 0 279.409 1.470 20 30 CDEDRP CC1(C#N)CCC([NH2+]CCCOCCOCCC[NH3+])CC1 ZINC001173585985 912635680 /nfs/dbraw/zinc/63/56/80/912635680.db2.gz BKCONUOUQDYKQG-UHFFFAOYSA-N 2 0 297.443 1.821 20 30 CDEDRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)O1 ZINC001173588584 912636100 /nfs/dbraw/zinc/63/61/00/912636100.db2.gz LQLQXMQXTIJABT-PQARUHEFSA-N 2 0 295.427 1.773 20 30 CDEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175265547 913519805 /nfs/dbraw/zinc/51/98/05/913519805.db2.gz ZTAGETQZKCKQQH-CVEARBPZSA-N 2 0 293.455 1.616 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106592521 914050257 /nfs/dbraw/zinc/05/02/57/914050257.db2.gz SIZVODHQVCCEOU-HUUCEWRRSA-N 2 0 293.455 1.588 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001167620207 897067557 /nfs/dbraw/zinc/06/75/57/897067557.db2.gz QDZIDKGAFYFGRP-HNNXBMFYSA-N 2 0 279.428 1.370 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2ccnc2)C[C@H]1C ZINC001106712615 914170897 /nfs/dbraw/zinc/17/08/97/914170897.db2.gz DNKVQWOLGQTEPG-RBSFLKMASA-N 2 0 288.395 1.152 20 30 CDEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001176760275 914260898 /nfs/dbraw/zinc/26/08/98/914260898.db2.gz SOHJSARZDZCVEB-HNNXBMFYSA-N 2 0 281.444 1.615 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001027451965 900504979 /nfs/dbraw/zinc/50/49/79/900504979.db2.gz JAVWBZHJDVSXHO-CABCVRRESA-N 2 0 281.444 1.681 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177330394 914606883 /nfs/dbraw/zinc/60/68/83/914606883.db2.gz ARZULYLYSVIPOG-UHFFFAOYSA-N 2 0 279.428 1.372 20 30 CDEDRP C[NH+]=C(NCC1(C)CC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261933775 904326506 /nfs/dbraw/zinc/32/65/06/904326506.db2.gz BZPLGQGLNQLILE-DGCLKSJQSA-N 2 0 264.417 1.434 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087797264 905854220 /nfs/dbraw/zinc/85/42/20/905854220.db2.gz GHQJYZMBYNLKAA-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@H]2C1 ZINC001088013963 906125846 /nfs/dbraw/zinc/12/58/46/906125846.db2.gz BCWDUNGJNJBZEE-PMPSAXMXSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001088327092 906903979 /nfs/dbraw/zinc/90/39/79/906903979.db2.gz FWKUGAAJUMDPNL-OAHLLOKOSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001088770317 909378094 /nfs/dbraw/zinc/37/80/94/909378094.db2.gz IPHSAWJCUNIUMG-KBMXLJTQSA-N 2 0 291.439 1.626 20 30 CDEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001092735432 909500701 /nfs/dbraw/zinc/50/07/01/909500701.db2.gz VNKCCVMDUBDASQ-BZUAXINKSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCN1CCN([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171760193 910935074 /nfs/dbraw/zinc/93/50/74/910935074.db2.gz RUNSBTYLJVAUBY-MJGOQNOKSA-N 2 0 297.446 1.900 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001205462456 921620382 /nfs/dbraw/zinc/62/03/82/921620382.db2.gz YVYJQJRNQMVNPV-MRXNPFEDSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C ZINC001088859073 911980656 /nfs/dbraw/zinc/98/06/56/911980656.db2.gz KPKATGKMJBSWPV-MJBXVCDLSA-N 2 0 265.401 1.093 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1C ZINC001178813257 915636838 /nfs/dbraw/zinc/63/68/38/915636838.db2.gz DIGMKYGDQPYHIH-KKUMJFAQSA-N 2 0 297.418 1.269 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001178853198 915662873 /nfs/dbraw/zinc/66/28/73/915662873.db2.gz DGRDHMFJZAWSHI-UHFFFAOYSA-N 2 0 281.444 1.616 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001031806804 915981310 /nfs/dbraw/zinc/98/13/10/915981310.db2.gz POPWDAZIMRTYHW-INIZCTEOSA-N 2 0 293.455 1.731 20 30 CDEDRP CCCNC(=[NH2+])NCCCC[N@@H+]1CCCC[C@H]1C ZINC000303906876 935047003 /nfs/dbraw/zinc/04/70/03/935047003.db2.gz WMWLSCLTQBXZLT-CYBMUJFWSA-N 2 0 254.422 1.955 20 30 CDEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001181755239 917342233 /nfs/dbraw/zinc/34/22/33/917342233.db2.gz KURSTMUDGMARAE-FRFSOERESA-N 2 0 291.439 1.034 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001182410259 917840006 /nfs/dbraw/zinc/84/00/06/917840006.db2.gz JRWGCRCSXZVCOU-GDBMZVCRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC1CC1 ZINC001182560148 917968094 /nfs/dbraw/zinc/96/80/94/917968094.db2.gz COVPAZDYMHWTQF-HOTGVXAUSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)NC1C[NH+](C(C)(C)C)C1 ZINC001183091988 918286696 /nfs/dbraw/zinc/28/66/96/918286696.db2.gz RYAJZDBKPRRXDO-UHFFFAOYSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000996563046 918297027 /nfs/dbraw/zinc/29/70/27/918297027.db2.gz ZSWSLBXCUMIUNN-MRXNPFEDSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183267797 918420207 /nfs/dbraw/zinc/42/02/07/918420207.db2.gz NFWFWRKQZSDSQE-HUUCEWRRSA-N 2 0 279.428 1.483 20 30 CDEDRP CC[C@H](CC#N)[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001255155031 936504927 /nfs/dbraw/zinc/50/49/27/936504927.db2.gz NDBOHOLKWAMIRI-CQSZACIVSA-N 2 0 252.406 1.294 20 30 CDEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001000702202 936537998 /nfs/dbraw/zinc/53/79/98/936537998.db2.gz RLRQGVCBUVOFPB-GDBMZVCRSA-N 2 0 291.439 1.651 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001185029381 919386301 /nfs/dbraw/zinc/38/63/01/919386301.db2.gz HJGFLBAIMBQJCV-GJZGRUSLSA-N 2 0 279.428 1.036 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001185029927 919388724 /nfs/dbraw/zinc/38/87/24/919388724.db2.gz JJUHJDAWNGBNNR-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC(C)CC1 ZINC001032700532 919713765 /nfs/dbraw/zinc/71/37/65/919713765.db2.gz PIRPUDMSGQSPGT-HOTGVXAUSA-N 2 0 291.439 1.580 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001186074166 919857305 /nfs/dbraw/zinc/85/73/05/919857305.db2.gz BZUHFLPAJNZIDB-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCn1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cn1 ZINC001139773037 936645913 /nfs/dbraw/zinc/64/59/13/936645913.db2.gz XYKDFHQYIWOLIA-UHFFFAOYSA-N 2 0 274.412 1.987 20 30 CDEDRP C=CCC[NH2+][C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CC1(C)C ZINC001486247965 920838115 /nfs/dbraw/zinc/83/81/15/920838115.db2.gz QGDRDEYXRFUQFG-KGLIPLIRSA-N 2 0 281.444 1.729 20 30 CDEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190743928 922170822 /nfs/dbraw/zinc/17/08/22/922170822.db2.gz NSXVHLKQCPWTSM-JKSUJKDBSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033426803 922207966 /nfs/dbraw/zinc/20/79/66/922207966.db2.gz VTLWDJHNMUYLRW-CQSZACIVSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111459161 936757539 /nfs/dbraw/zinc/75/75/39/936757539.db2.gz PRMBAJZNZYGLBA-OAGGEKHMSA-N 2 0 291.439 1.770 20 30 CDEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001034363579 922614915 /nfs/dbraw/zinc/61/49/15/922614915.db2.gz PAFBUJZYOHPWAP-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192007912 922870787 /nfs/dbraw/zinc/87/07/87/922870787.db2.gz SWUYFLWMLFWPQC-AWEZNQCLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170356 922930797 /nfs/dbraw/zinc/93/07/97/922930797.db2.gz JRKQPPHXYKBDDF-AWEZNQCLSA-N 2 0 267.417 1.437 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194227771 924122875 /nfs/dbraw/zinc/12/28/75/924122875.db2.gz NGPVHJJBSSZYHV-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001079687383 924403511 /nfs/dbraw/zinc/40/35/11/924403511.db2.gz OKOWBMROSHANOB-OAGGEKHMSA-N 2 0 291.439 1.319 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001080446987 924571485 /nfs/dbraw/zinc/57/14/85/924571485.db2.gz SSMJWFJGOIDTJB-RRFJBIMHSA-N 2 0 279.428 1.341 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001101036568 936953601 /nfs/dbraw/zinc/95/36/01/936953601.db2.gz TZLBKEPIQYOGFR-GPANFISMSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCCC[NH+]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001197818021 925242695 /nfs/dbraw/zinc/24/26/95/925242695.db2.gz UKGGNYLBNLNIPU-MRXNPFEDSA-N 2 0 293.455 1.829 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001084661973 925337728 /nfs/dbraw/zinc/33/77/28/925337728.db2.gz PZZDUGRTMFTVIC-RRFJBIMHSA-N 2 0 277.412 1.047 20 30 CDEDRP C#CCN1CC[C@@H]2CN(C(=O)C[C@@H](C)n3ccnc3)[C@@H]2C1 ZINC001084691329 925360735 /nfs/dbraw/zinc/36/07/35/925360735.db2.gz MSJMPGJSSZPVGI-RBSFLKMASA-N 2 0 286.379 1.000 20 30 CDEDRP C#CCOC[C@H](O)C[NH2+]C1CC[NH+](CC(C)(C)C)CC1 ZINC001251896681 925815840 /nfs/dbraw/zinc/81/58/40/925815840.db2.gz LJAHWGKSMRFVMB-OAHLLOKOSA-N 2 0 282.428 1.097 20 30 CDEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102047350 937039687 /nfs/dbraw/zinc/03/96/87/937039687.db2.gz CUXFPFUEKFFYAT-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927625 926513532 /nfs/dbraw/zinc/51/35/32/926513532.db2.gz BXRWFVRCVYJNAF-AWEZNQCLSA-N 2 0 277.412 1.191 20 30 CDEDRP C[C@@H]1C[N@H+](Cc2cc(C#N)ccn2)CCC[C@H]1C[NH3+] ZINC001206011743 928041172 /nfs/dbraw/zinc/04/11/72/928041172.db2.gz FYMPQPWMQOYDAC-OCCSQVGLSA-N 2 0 258.369 1.760 20 30 CDEDRP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001108831451 928657249 /nfs/dbraw/zinc/65/72/49/928657249.db2.gz FUYBIMICJYFPJK-JYJNAYRXSA-N 2 0 291.439 1.319 20 30 CDEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001109733488 929020312 /nfs/dbraw/zinc/02/03/12/929020312.db2.gz QZCQZQHWILLOAD-QPSCCSFWSA-N 2 0 279.428 1.624 20 30 CDEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001115119400 937327082 /nfs/dbraw/zinc/32/70/82/937327082.db2.gz WPWUYFZVESHKCU-AIANPOQGSA-N 2 0 291.439 1.341 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584866 929798949 /nfs/dbraw/zinc/79/89/49/929798949.db2.gz XRISWULTUROXMN-QWHCGFSZSA-N 2 0 267.417 1.530 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135297402 930134612 /nfs/dbraw/zinc/13/46/12/930134612.db2.gz BAPQLSKHGWJUQB-UONOGXRCSA-N 2 0 281.444 1.777 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001170819284 930244383 /nfs/dbraw/zinc/24/43/83/930244383.db2.gz JAWFKIMPGVOGOT-KRWDZBQOSA-N 2 0 287.407 1.193 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135613666 930296289 /nfs/dbraw/zinc/29/62/89/930296289.db2.gz HGVXHYLBKORBSN-HUUCEWRRSA-N 2 0 293.455 1.615 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001086792831 930435376 /nfs/dbraw/zinc/43/53/76/930435376.db2.gz MHSPTNUKXVXHEP-DZGCQCFKSA-N 2 0 279.428 1.389 20 30 CDEDRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1CC[C@@H](C#N)CC1 ZINC001253405137 930466497 /nfs/dbraw/zinc/46/64/97/930466497.db2.gz PZBRVUVFRUKUEQ-XQQFMLRXSA-N 2 0 253.390 1.407 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CCCCC1 ZINC001115806359 937420701 /nfs/dbraw/zinc/42/07/01/937420701.db2.gz VFDUVVLCMGMTIR-UHFFFAOYSA-N 2 0 279.428 1.370 20 30 CDEDRP C=CCc1ccnc(N[C@@H]([NH3+])CCC[NH3+])c1C(OC)OC ZINC001170897700 930693269 /nfs/dbraw/zinc/69/32/69/930693269.db2.gz JCUKPFMWQWFRJS-GFCCVEGCSA-N 2 0 294.399 1.537 20 30 CDEDRP N#Cc1nc(N[C@H]([NH3+])CCC[NH3+])ccc1C(F)(F)F ZINC001170897443 930694344 /nfs/dbraw/zinc/69/43/44/930694344.db2.gz HTPRFJGPQFZILF-VIFPVBQESA-N 2 0 273.262 1.408 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001147428449 932495578 /nfs/dbraw/zinc/49/55/78/932495578.db2.gz GJBAMEIOFFNNDD-KRWDZBQOSA-N 2 0 289.423 1.745 20 30 CDEDRP C=CC[NH2+]CCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001147402454 932500561 /nfs/dbraw/zinc/50/05/61/932500561.db2.gz QBSXFTVHKNETKE-INIZCTEOSA-N 2 0 275.396 1.355 20 30 CDEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])NC(C)(C)C ZINC000304820210 935089674 /nfs/dbraw/zinc/08/96/74/935089674.db2.gz BITQKFJUQUTWEI-NSHDSACASA-N 2 0 258.410 1.046 20 30 CDEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001017658714 935646211 /nfs/dbraw/zinc/64/62/11/935646211.db2.gz JKRIIEPLWMOOAU-QLFBSQMISA-N 2 0 279.428 1.578 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001019337388 935701772 /nfs/dbraw/zinc/70/17/72/935701772.db2.gz HRCHNLLEVHIJMN-UONOGXRCSA-N 2 0 267.417 1.339 20 30 CDEDRP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001046569561 935960319 /nfs/dbraw/zinc/96/03/19/935960319.db2.gz JDDZNJPEPRAGDX-ZOBUZTSGSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001096887328 936232304 /nfs/dbraw/zinc/23/23/04/936232304.db2.gz HPTIVDUWEQHUSE-LVQVYYBASA-N 2 0 291.439 1.768 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])C[C@@H](C)CC)CC1 ZINC001121998374 937897633 /nfs/dbraw/zinc/89/76/33/937897633.db2.gz XLHMCOJRBCWJHH-JSGCOSHPSA-N 2 0 267.417 1.517 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CCF)CC1 ZINC001157091853 938453069 /nfs/dbraw/zinc/45/30/69/938453069.db2.gz FPWYAYOYUQVEEW-CQSZACIVSA-N 2 0 297.418 1.128 20 30 CDEDRP Cc1nc(NC(=[NH2+])NCCCC[NH3+])ccc1CC#N ZINC001157098900 938454001 /nfs/dbraw/zinc/45/40/01/938454001.db2.gz FUFQIANWHZQUJF-UHFFFAOYSA-N 2 0 260.345 1.131 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158337162 938610635 /nfs/dbraw/zinc/61/06/35/938610635.db2.gz GLAZHWLIRUQVMR-QWHCGFSZSA-N 2 0 287.835 1.565 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997581 938764560 /nfs/dbraw/zinc/76/45/60/938764560.db2.gz SNAQZKYSVUBACF-AWEZNQCLSA-N 2 0 281.444 1.921 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165360436 939551498 /nfs/dbraw/zinc/55/14/98/939551498.db2.gz OMZNUIKLTTUNOF-UHFFFAOYSA-N 2 0 255.406 1.390 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576191 939694271 /nfs/dbraw/zinc/69/42/71/939694271.db2.gz APRBERADEWJSMM-GJZGRUSLSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576190 939694387 /nfs/dbraw/zinc/69/43/87/939694387.db2.gz APRBERADEWJSMM-CABCVRRESA-N 2 0 293.455 1.921 20 30 CDEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203793745 939705047 /nfs/dbraw/zinc/70/50/47/939705047.db2.gz TVQLFMNWGRYJTJ-GJZGRUSLSA-N 2 0 291.439 1.367 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001203852418 939707806 /nfs/dbraw/zinc/70/78/06/939707806.db2.gz BEKBUVYAUJGESG-HUUCEWRRSA-N 2 0 291.439 1.463 20 30 CDEDRP N#Cc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1Cl ZINC001205240025 939841325 /nfs/dbraw/zinc/84/13/25/939841325.db2.gz GWBJPMLFYVLNGH-HNNXBMFYSA-N 2 0 293.798 1.887 20 30 CDEDRP C=CCc1cccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1O ZINC001205673586 939915985 /nfs/dbraw/zinc/91/59/85/939915985.db2.gz RUKSFXZYRRKJCQ-QGZVFWFLSA-N 2 0 290.407 1.796 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001206125615 939983554 /nfs/dbraw/zinc/98/35/54/939983554.db2.gz IHALDJLVHKHELY-UHFFFAOYSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001208333914 940320531 /nfs/dbraw/zinc/32/05/31/940320531.db2.gz AGVTZWOIALIYET-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001208414082 940329146 /nfs/dbraw/zinc/32/91/46/940329146.db2.gz HMMJLKORBHLMOQ-UONOGXRCSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208527354 940338166 /nfs/dbraw/zinc/33/81/66/940338166.db2.gz MECVUWFZNYSGJD-MGPQQGTHSA-N 2 0 267.417 1.195 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001209632976 940620546 /nfs/dbraw/zinc/62/05/46/940620546.db2.gz QNAPSSDQAZAOOC-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847929 940840461 /nfs/dbraw/zinc/84/04/61/940840461.db2.gz ZCIGXWIHMNXBTO-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215416265 940885104 /nfs/dbraw/zinc/88/51/04/940885104.db2.gz SECHRWJWBIXEHE-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001216053713 940918933 /nfs/dbraw/zinc/91/89/33/940918933.db2.gz VTFZFBOEYOFNRZ-HZPDHXFCSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216217315 940929147 /nfs/dbraw/zinc/92/91/47/940929147.db2.gz QQMWOAYPVLNQCS-DGCLKSJQSA-N 2 0 287.835 1.517 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001216511536 940943409 /nfs/dbraw/zinc/94/34/09/940943409.db2.gz SNRBXGLYQJBJKW-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@H]2O3)C1 ZINC001219538205 941353818 /nfs/dbraw/zinc/35/38/18/941353818.db2.gz WHXWJGNSCFHKMM-ZLENFMNRSA-N 2 0 299.374 1.381 20 30 CDEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC1(C#N)CCC1 ZINC001219608352 941364383 /nfs/dbraw/zinc/36/43/83/941364383.db2.gz VYRGWDIWXOSVQW-LBPRGKRZSA-N 2 0 266.389 1.044 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221774196 941550435 /nfs/dbraw/zinc/55/04/35/941550435.db2.gz YEHODWQMWJDGOO-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001224754530 941789585 /nfs/dbraw/zinc/78/95/85/941789585.db2.gz ZVRVDDDXPJFKNY-UHFFFAOYSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001225080627 941822438 /nfs/dbraw/zinc/82/24/38/941822438.db2.gz YQVKLVKGETXRIU-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)C[N@@H+](C)CCC)CC1 ZINC001225228753 941831099 /nfs/dbraw/zinc/83/10/99/941831099.db2.gz YEZWUEQFNHITOW-UHFFFAOYSA-N 2 0 267.417 1.342 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001228558997 942336055 /nfs/dbraw/zinc/33/60/55/942336055.db2.gz JDONDYWRFQHJCJ-BZUAXINKSA-N 2 0 293.455 1.757 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230262934 942597499 /nfs/dbraw/zinc/59/74/99/942597499.db2.gz YGZCXGDVVPBQBA-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C[NH+]1CC2(C1)CC[NH+](CCOc1ccccc1C#N)CC2 ZINC001277595898 943084333 /nfs/dbraw/zinc/08/43/33/943084333.db2.gz JNNKGCMVCNZLBA-UHFFFAOYSA-N 2 0 285.391 1.965 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC001263098696 943743030 /nfs/dbraw/zinc/74/30/30/943743030.db2.gz LDYJVYUJRBFWGK-OLZOCXBDSA-N 2 0 255.406 1.517 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235318213 944117782 /nfs/dbraw/zinc/11/77/82/944117782.db2.gz FABXVDZJRANMPQ-CQSZACIVSA-N 2 0 279.428 1.580 20 30 CDEDRP N#Cc1ccc(CC[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1 ZINC001235992696 944358831 /nfs/dbraw/zinc/35/88/31/944358831.db2.gz LSTRQKCVJOBGMA-XYPWUTKMSA-N 2 0 271.364 1.006 20 30 CDEDRP C=CC[NH2+]CCN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001236442128 944498222 /nfs/dbraw/zinc/49/82/22/944498222.db2.gz WQDGGONCNZTYIJ-MSOLQXFVSA-N 2 0 285.435 1.968 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001258722378 945394059 /nfs/dbraw/zinc/39/40/59/945394059.db2.gz HGRCPXYMOWREET-RBSFLKMASA-N 2 0 281.444 1.920 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC001262570643 946722839 /nfs/dbraw/zinc/72/28/39/946722839.db2.gz AWYKFEWSTHMOQS-CYBMUJFWSA-N 2 0 280.416 1.017 20 30 CDEDRP N#Cc1cc(/C=C/C2CC[NH2+]CC2)ccc1N1CC[NH2+]CC1 ZINC001243895423 947245750 /nfs/dbraw/zinc/24/57/50/947245750.db2.gz BUTFFJCFVZCVJE-OWOJBTEDSA-N 2 0 296.418 1.981 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH3+])[C@@H]1CC[C@H](C#N)C1 ZINC001254644789 947567523 /nfs/dbraw/zinc/56/75/23/947567523.db2.gz XPIKUYODGNETFD-UONOGXRCSA-N 2 0 252.406 1.281 20 30 CDEDRP C[NH+]1CCC(C#N)(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001255106357 947735387 /nfs/dbraw/zinc/73/53/87/947735387.db2.gz SGEHXXNPXWLYDR-QGZVFWFLSA-N 2 0 298.434 1.838 20 30 CDEDRP N#Cc1ccc(C2([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246265884 948066791 /nfs/dbraw/zinc/06/67/91/948066791.db2.gz FGOFREQZZASTBY-OAHLLOKOSA-N 2 0 282.391 1.231 20 30 CDEDRP N#Cc1ccc2c(c1)c(CC[NH3+])cn2[C@H]1CCC[NH2+]C1 ZINC001246322572 948104579 /nfs/dbraw/zinc/10/45/79/948104579.db2.gz AYWWEIHFSPITBV-AWEZNQCLSA-N 2 0 268.364 1.939 20 30 CDEDRP N#Cc1ccc(C2CCC([NH2+]CCNCC[NH3+])CC2)cc1 ZINC001246403585 948157617 /nfs/dbraw/zinc/15/76/17/948157617.db2.gz GLOIEHXQXPVDSE-UHFFFAOYSA-N 2 0 286.423 1.722 20 30 CDEDRP CCOC(=O)[C@]12C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@H]1C[NH2+]CC2 ZINC001246861409 948486563 /nfs/dbraw/zinc/48/65/63/948486563.db2.gz YEXAQOUXMXMVBG-IXYNUQLISA-N 2 0 291.395 1.153 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001252492314 951362895 /nfs/dbraw/zinc/36/28/95/951362895.db2.gz XMZCMXQADPWYSO-INIZCTEOSA-N 2 0 291.395 1.204 20 30 CDEDRP C=C[C@@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001253585392 951974911 /nfs/dbraw/zinc/97/49/11/951974911.db2.gz XCWNVNYNNAXWHV-DLBZAZTESA-N 2 0 274.408 1.987 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001326773881 954541138 /nfs/dbraw/zinc/54/11/38/954541138.db2.gz NLONSUKCMICNTN-MRXNPFEDSA-N 2 0 291.439 1.466 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001368110154 958643052 /nfs/dbraw/zinc/64/30/52/958643052.db2.gz WDJMNGQWVNWJBF-STQMWFEESA-N 2 0 287.835 1.660 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001340709340 963082680 /nfs/dbraw/zinc/08/26/80/963082680.db2.gz OADKIFKCKCMXKL-RRFJBIMHSA-N 2 0 279.428 1.803 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC001341673103 963505617 /nfs/dbraw/zinc/50/56/17/963505617.db2.gz WPKTUAJZLPDSMD-KGLIPLIRSA-N 2 0 267.417 1.518 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC001341673105 963505959 /nfs/dbraw/zinc/50/59/59/963505959.db2.gz WPKTUAJZLPDSMD-ZIAGYGMSSA-N 2 0 267.417 1.518 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001344590474 964372427 /nfs/dbraw/zinc/37/24/27/964372427.db2.gz NCMAXEICDILCEO-GFCCVEGCSA-N 2 0 258.325 1.249 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001100678691 968932982 /nfs/dbraw/zinc/93/29/82/968932982.db2.gz TYGCXBBJHQGFPI-NFOMZHRRSA-N 2 0 279.428 1.389 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)NCC1C[NH2+]C1 ZINC001357443047 969589654 /nfs/dbraw/zinc/58/96/54/969589654.db2.gz CVQJDKNABOWFJG-ZDUSSCGKSA-N 2 0 255.406 1.400 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC001357491376 969608000 /nfs/dbraw/zinc/60/80/00/969608000.db2.gz XDVVVTDSMCDYET-DZGCQCFKSA-N 2 0 281.444 1.859 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001521464248 970299328 /nfs/dbraw/zinc/29/93/28/970299328.db2.gz RIXFUCKLTBLTPZ-CABCVRRESA-N 2 0 279.428 1.757 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)CC[N@@H+](C)CC ZINC001374304618 973884194 /nfs/dbraw/zinc/88/41/94/973884194.db2.gz GWUFOJMJUZOAGA-GFCCVEGCSA-N 2 0 275.824 1.517 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001499909046 974330638 /nfs/dbraw/zinc/33/06/38/974330638.db2.gz OPJXSBZJKIHZSY-OAHLLOKOSA-N 2 0 289.423 1.219 20 30 CDEDRP C=C(Cl)CN(CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001377555963 975073529 /nfs/dbraw/zinc/07/35/29/975073529.db2.gz UOMRCQNYVWYIBW-UHFFFAOYSA-N 2 0 299.846 1.661 20 30 CDEDRP C=C(Cl)CN(C)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001403683025 977139452 /nfs/dbraw/zinc/13/94/52/977139452.db2.gz FYMSJVCPRGPAPO-UHFFFAOYSA-N 2 0 289.851 1.765 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001393754178 977907222 /nfs/dbraw/zinc/90/72/22/977907222.db2.gz ZVNCMRVPXKPIRO-YPMHNXCESA-N 2 0 287.835 1.517 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132279565 1163227522 /nfs/dbraw/zinc/22/75/22/1163227522.db2.gz ZAHJBXSJMXJRDQ-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001133274166 1163622497 /nfs/dbraw/zinc/62/24/97/1163622497.db2.gz CJJTZSZSZSVLRN-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001574961420 1171063836 /nfs/dbraw/zinc/06/38/36/1171063836.db2.gz YCBMLPKALVQJDJ-ZNMIVQPWSA-N 2 0 280.412 1.468 20 30 CDEDRP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@H](C)CCC#N)CC1 ZINC001578680611 1171979082 /nfs/dbraw/zinc/97/90/82/1171979082.db2.gz XOGGZQGSFYQNOA-CQSZACIVSA-N 2 0 294.443 1.506 20 30 CDEDRP CN(CCC#N)C[C@@H](O)C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000591241573 342622390 /nfs/dbraw/zinc/62/23/90/342622390.db2.gz IZHZRNKDRLIMCM-AWEZNQCLSA-N 2 0 296.459 1.092 20 30 CDEDRP N#CCSCCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000080627257 342357972 /nfs/dbraw/zinc/35/79/72/342357972.db2.gz UFILPVUUFHSQSR-UHFFFAOYSA-N 2 0 297.468 1.677 20 30 CDEDRP C[NH+](C)CC1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598585712 343835512 /nfs/dbraw/zinc/83/55/12/343835512.db2.gz JTVDTUOOEFCBBP-AWEZNQCLSA-N 2 0 267.417 1.561 20 30 CDEDRP C#CCNC(=O)CC[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000491718923 347587445 /nfs/dbraw/zinc/58/74/45/347587445.db2.gz XCIZIKZXYOIQMR-UHFFFAOYSA-N 2 0 293.455 1.474 20 30 CDEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc(OC)cc2)C1 ZINC000264065515 362955304 /nfs/dbraw/zinc/95/53/04/362955304.db2.gz AXXDOBJOYLBOQP-LBPRGKRZSA-N 2 0 276.384 1.764 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccsc1 ZINC000264072903 362958006 /nfs/dbraw/zinc/95/80/06/362958006.db2.gz DPJKELMMHAYPFJ-LBPRGKRZSA-N 2 0 266.414 1.637 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C)s1 ZINC000264088578 362963608 /nfs/dbraw/zinc/96/36/08/362963608.db2.gz KIULEVOQCMAVSM-GFCCVEGCSA-N 2 0 280.441 1.945 20 30 CDEDRP N#Cc1cccc(C[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000094070352 351351183 /nfs/dbraw/zinc/35/11/83/351351183.db2.gz DIUKUXIXWUCEIJ-UHFFFAOYSA-N 2 0 273.380 1.888 20 30 CDEDRP COc1ccccc1CNC(=[NH2+])NC[C@H]1CC[N@H+](C)C1 ZINC000170905379 365158399 /nfs/dbraw/zinc/15/83/99/365158399.db2.gz JZCGHQLSENGTPQ-GFCCVEGCSA-N 2 0 276.384 1.051 20 30 CDEDRP C=CCN1CCC([NH2+]C[C@@](C)(O)C(F)(F)F)CC1 ZINC000564843714 370273663 /nfs/dbraw/zinc/27/36/63/370273663.db2.gz DODBVGBZQWPSNA-LLVKDONJSA-N 2 0 266.307 1.540 20 30 CDEDRP C[C@@H]1COCCN1CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000328792163 375971481 /nfs/dbraw/zinc/97/14/81/375971481.db2.gz ADLOQSKPMWFGBQ-GFCCVEGCSA-N 2 0 288.351 1.360 20 30 CDEDRP CC(C)[NH+](CCCNC(=O)[C@@H]([NH3+])CCCC#N)C(C)C ZINC000575057065 335059883 /nfs/dbraw/zinc/05/98/83/335059883.db2.gz ATVKRJYFTYDSEH-AWEZNQCLSA-N 2 0 282.432 1.633 20 30 CDEDRP C=CCC[C@H](O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000363879044 391271842 /nfs/dbraw/zinc/27/18/42/391271842.db2.gz JJELNTPXSUKVHD-SJORKVTESA-N 2 0 295.471 1.414 20 30 CDEDRP CC[NH+](CC)Cc1ccc(CNC2=[NH+]CCN2C)cc1 ZINC000262671299 391809869 /nfs/dbraw/zinc/80/98/69/391809869.db2.gz RBZWKWLVZQNAJD-UHFFFAOYSA-N 2 0 274.412 1.919 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000262690840 131251270 /nfs/dbraw/zinc/25/12/70/131251270.db2.gz ZKETVNLKVABJOF-HRCADAONSA-N 2 0 293.455 1.929 20 30 CDEDRP CC[NH+](CC)CCNC(NCc1ccco1)=[NH+]C ZINC000264099576 262870814 /nfs/dbraw/zinc/87/08/14/262870814.db2.gz YLXOFGIDFPWGLP-UHFFFAOYSA-N 2 0 252.362 1.286 20 30 CDEDRP C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)C1=O ZINC000414756362 263039344 /nfs/dbraw/zinc/03/93/44/263039344.db2.gz QOKZRWFEEKIQMY-MCIONIFRSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000353436741 263052828 /nfs/dbraw/zinc/05/28/28/263052828.db2.gz IJYFQLUHHHDPKD-UHFFFAOYSA-N 2 0 294.443 1.374 20 30 CDEDRP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000252702600 264305196 /nfs/dbraw/zinc/30/51/96/264305196.db2.gz IAEXXISNGRXSDH-HUUCEWRRSA-N 2 0 279.428 1.533 20 30 CDEDRP C=CCN1CC[C@H]([NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)C1=O ZINC000662291144 423917689 /nfs/dbraw/zinc/91/76/89/423917689.db2.gz BVCLQKDHNYSYPT-HOTGVXAUSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[C@@H](CC)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291262 424497987 /nfs/dbraw/zinc/49/79/87/424497987.db2.gz YMYNULPTFSMDGI-SNVBAGLBSA-N 2 0 250.346 1.475 20 30 CDEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)N(C)CCC#N)C[C@H]1C ZINC000356999378 266229078 /nfs/dbraw/zinc/22/90/78/266229078.db2.gz BPUHODCCTXOJHU-HUUCEWRRSA-N 2 0 294.443 1.553 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N(C)CCc1cccs1 ZINC000261850430 328142760 /nfs/dbraw/zinc/14/27/60/328142760.db2.gz XXLQECWUDYPFEX-ZDUSSCGKSA-N 2 0 294.468 1.750 20 30 CDEDRP C[C@@H]1CCCN(C(=[NH2+])NCCN2CCOC(C)(C)C2)C1 ZINC000170912889 329072379 /nfs/dbraw/zinc/07/23/79/329072379.db2.gz HBDFFEMKCJKHIG-CYBMUJFWSA-N 2 0 282.432 1.144 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC(F)(F)C1 ZINC000262380006 330011785 /nfs/dbraw/zinc/01/17/85/330011785.db2.gz GVPAXLXFLOHIHR-RYUDHWBXSA-N 2 0 288.386 1.810 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000262528084 330019689 /nfs/dbraw/zinc/01/96/89/330019689.db2.gz MAOVGKFQBSKHAA-XJKCOSOUSA-N 2 0 296.459 1.579 20 30 CDEDRP C[C@H]1C[NH+]=C(NC[C@H]2CCC[N@@H+]2C2CCCCC2)N1 ZINC000262682523 330026771 /nfs/dbraw/zinc/02/67/71/330026771.db2.gz WWGKYJQJQJWEFU-GXTWGEPZSA-N 2 0 264.417 1.721 20 30 CDEDRP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000262851511 330035362 /nfs/dbraw/zinc/03/53/62/330035362.db2.gz XAHQPXLBICVLNC-AWEZNQCLSA-N 2 0 264.417 1.874 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1(C)C[NH2+]C1)C(C)C ZINC000423342490 330191938 /nfs/dbraw/zinc/19/19/38/330191938.db2.gz NDOKYYIKHLNXTA-AWEZNQCLSA-N 2 0 279.428 1.411 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCCCCC1 ZINC000424127529 330259403 /nfs/dbraw/zinc/25/94/03/330259403.db2.gz AYESMHIMGIVFSY-AWEZNQCLSA-N 2 0 280.416 1.390 20 30 CDEDRP CC[NH+]1CCC(CCNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424136248 330272396 /nfs/dbraw/zinc/27/23/96/330272396.db2.gz AEXJLJDARPASRM-AWEZNQCLSA-N 2 0 280.416 1.246 20 30 CDEDRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442782188 330782749 /nfs/dbraw/zinc/78/27/49/330782749.db2.gz QRQFWXBONDBXQK-HOCLYGCPSA-N 2 0 299.422 1.615 20 30 CDEDRP C#CCNC(=O)CC[NH2+]C[C@H](C)N(C)Cc1ccccc1 ZINC000491485638 332220476 /nfs/dbraw/zinc/22/04/76/332220476.db2.gz PUFSKRLUVKXIBF-HNNXBMFYSA-N 2 0 287.407 1.236 20 30 CDEDRP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](CC)C[C@H]1CC ZINC000491702567 332296635 /nfs/dbraw/zinc/29/66/35/332296635.db2.gz RIYDDYGHXUNTNX-OAHLLOKOSA-N 2 0 294.443 1.067 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000177045469 333052903 /nfs/dbraw/zinc/05/29/03/333052903.db2.gz JZHMTCRFAHEZLA-DZGCQCFKSA-N 2 0 289.423 1.073 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@H]1CC[NH2+]C1)C(C)C ZINC000130457877 333843182 /nfs/dbraw/zinc/84/31/82/333843182.db2.gz SNKMFGRHHQXYFY-HZPDHXFCSA-N 2 0 293.455 1.801 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]1C)C(C)C ZINC000565360314 334555713 /nfs/dbraw/zinc/55/57/13/334555713.db2.gz BOFIAUCPWXWUFT-BZUAXINKSA-N 2 0 293.455 1.799 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001754920196 1159487977 /nfs/dbraw/zinc/48/79/77/1159487977.db2.gz WULLAHVINJQXDH-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001755034716 1159508668 /nfs/dbraw/zinc/50/86/68/1159508668.db2.gz XMQQIOYAQGAYLX-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[N@@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001755044976 1159512019 /nfs/dbraw/zinc/51/20/19/1159512019.db2.gz BAYGRMKGIYMULV-UHFFFAOYSA-N 2 0 267.417 1.439 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482357265 1160175077 /nfs/dbraw/zinc/17/50/77/1160175077.db2.gz YIJQWRGKQDIJEN-CHWSQXEVSA-N 2 0 289.851 1.762 20 30 CDEDRP C[C@@H](C[NH2+]CC(C)(C)CCC#N)CN1CC[NH+](C)CC1 ZINC000344267708 534057281 /nfs/dbraw/zinc/05/72/81/534057281.db2.gz XKHQRHLTJYISIA-HNNXBMFYSA-N 2 0 280.460 1.789 20 30 CDEDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000268452712 535165448 /nfs/dbraw/zinc/16/54/48/535165448.db2.gz WHSYDIGONUUOJV-UHFFFAOYSA-N 2 0 277.368 1.476 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000764429307 575906691 /nfs/dbraw/zinc/90/66/91/575906691.db2.gz ZENIWNZWXDZZQH-ZDUSSCGKSA-N 2 0 281.444 1.731 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000766107979 576078556 /nfs/dbraw/zinc/07/85/56/576078556.db2.gz JUQRVNUGJCAFEM-PMPSAXMXSA-N 2 0 289.423 1.027 20 30 CDEDRP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000981272905 612973065 /nfs/dbraw/zinc/97/30/65/612973065.db2.gz SYHFKIWIIBMWEE-GJZGRUSLSA-N 2 0 291.439 1.511 20 30 CDEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000970161977 612997871 /nfs/dbraw/zinc/99/78/71/612997871.db2.gz IAXWGJRRJJEOSB-ZDUSSCGKSA-N 2 0 296.374 1.408 20 30 CDEDRP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000969145144 613001722 /nfs/dbraw/zinc/00/17/22/613001722.db2.gz ZCZAGBMDLMGTFM-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCN1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000969829325 613117504 /nfs/dbraw/zinc/11/75/04/613117504.db2.gz BUOLCULGDSAAMH-CABCVRRESA-N 2 0 291.439 1.034 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](C(C)C)C2)CC1 ZINC000970920806 613131572 /nfs/dbraw/zinc/13/15/72/613131572.db2.gz MHKIGZIDZRYMDA-CQSZACIVSA-N 2 0 291.439 1.177 20 30 CDEDRP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000981458873 613254173 /nfs/dbraw/zinc/25/41/73/613254173.db2.gz IWBQBIBYDQJLER-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000957761927 613257524 /nfs/dbraw/zinc/25/75/24/613257524.db2.gz TYLXFPYJJTVNBB-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975048473 613337874 /nfs/dbraw/zinc/33/78/74/613337874.db2.gz IFHVFAAQQSIQKP-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000970800454 613348695 /nfs/dbraw/zinc/34/86/95/613348695.db2.gz PGNIHNNVKIOJTM-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942598000 613519995 /nfs/dbraw/zinc/51/99/95/613519995.db2.gz PTJFVPQNHRKNJS-GOEBONIOSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000947686202 613535106 /nfs/dbraw/zinc/53/51/06/613535106.db2.gz VLHWJFCTOOHKRT-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000971871764 613622466 /nfs/dbraw/zinc/62/24/66/613622466.db2.gz JGXZWSAZGBEHHJ-CQSZACIVSA-N 2 0 284.363 1.667 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000971682671 613628587 /nfs/dbraw/zinc/62/85/87/613628587.db2.gz OZRYEZBWKFKOEX-CVEARBPZSA-N 2 0 293.455 1.968 20 30 CDEDRP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC000981848255 613679151 /nfs/dbraw/zinc/67/91/51/613679151.db2.gz KVSZNNNZSMEFOR-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC000978633403 613835064 /nfs/dbraw/zinc/83/50/64/613835064.db2.gz WXLXKMATGBILLT-UVPYHEFZSA-N 2 0 291.439 1.197 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC000965065714 613858533 /nfs/dbraw/zinc/85/85/33/613858533.db2.gz ZAHVTULAXGRHIZ-PHUJGXCVSA-N 2 0 291.439 1.387 20 30 CDEDRP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000963157589 613859455 /nfs/dbraw/zinc/85/94/55/613859455.db2.gz OTVKBSHZGUXEKL-NRXISQOPSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981461538 613861563 /nfs/dbraw/zinc/86/15/63/613861563.db2.gz IJZYQXWYXVYMPT-KGLIPLIRSA-N 2 0 277.412 1.285 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000970169161 613865071 /nfs/dbraw/zinc/86/50/71/613865071.db2.gz QIAIAVGUNHUPTP-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000925608671 617553389 /nfs/dbraw/zinc/55/33/89/617553389.db2.gz HHYMYEIAYOZUJT-HNNXBMFYSA-N 2 0 299.422 1.652 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C ZINC000911724341 629440966 /nfs/dbraw/zinc/44/09/66/629440966.db2.gz KUBAQMORNYCLCM-UONOGXRCSA-N 2 0 269.433 1.885 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132265800 1163219043 /nfs/dbraw/zinc/21/90/43/1163219043.db2.gz SZTVWRASALJEGI-KBPBESRZSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132266092 1163219201 /nfs/dbraw/zinc/21/92/01/1163219201.db2.gz VREUXSQVUFQVSO-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001114352522 1164497936 /nfs/dbraw/zinc/49/79/36/1164497936.db2.gz BTLXLBOKOJQNKB-LJISPDSOSA-N 2 0 297.418 1.289 20 30 CDEDRP C=C(C)CC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879597211 1166382659 /nfs/dbraw/zinc/38/26/59/1166382659.db2.gz YVEQFTDATWRAAL-UHFFFAOYSA-N 2 0 251.418 1.664 20 30 CDEDRP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001570534269 1170182084 /nfs/dbraw/zinc/18/20/84/1170182084.db2.gz FZFLXPIJWPQEJF-HUUCEWRRSA-N 2 0 281.444 1.826 20 30 CDEDRP C#CCN(CCC[NH+](CC)CC)C1CC[NH2+]CC1 ZINC001574666685 1170998602 /nfs/dbraw/zinc/99/86/02/1170998602.db2.gz DMVSWNYYBPXDBJ-UHFFFAOYSA-N 2 0 251.418 1.406 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC001574673495 1170998899 /nfs/dbraw/zinc/99/88/99/1170998899.db2.gz MFBCQAHUQVYXLO-DLBZAZTESA-N 2 0 297.402 1.785 20 30 CDEDRP C=C(C)CC[N@@H+](CC)[C@@H](C)CC(=O)N1CC[NH2+]CC1 ZINC001574836377 1171021571 /nfs/dbraw/zinc/02/15/71/1171021571.db2.gz YOHOCQXKRLOOQJ-AWEZNQCLSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CCC[NH2+]C1CC(N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001734596337 1183839869 /nfs/dbraw/zinc/83/98/69/1183839869.db2.gz NUYOCBVJBNIGAD-JXQTWKCFSA-N 2 0 267.417 1.482 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001752939024 1184971431 /nfs/dbraw/zinc/97/14/31/1184971431.db2.gz OHHLSNIQCWQILX-HOTGVXAUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCC[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001753013162 1184994897 /nfs/dbraw/zinc/99/48/97/1184994897.db2.gz AFXDBGDBPCWGDZ-CQSZACIVSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001753359071 1185168789 /nfs/dbraw/zinc/16/87/89/1185168789.db2.gz HVUSOHSIZFFCNL-MRXNPFEDSA-N 2 0 291.439 1.132 20 30 CDEDRP C#CC[NH2+]C[C@@]1(NC(=O)CCC[NH+](C)C)CCCC[C@@H]1C ZINC001753533516 1185249326 /nfs/dbraw/zinc/24/93/26/1185249326.db2.gz KGYJURKPWIXRKX-RDJZCZTQSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001754714122 1185713487 /nfs/dbraw/zinc/71/34/87/1185713487.db2.gz ZEXLEYMHHDWUMY-QGZVFWFLSA-N 2 0 293.455 1.877 20 30 CDEDRP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001754803410 1185735091 /nfs/dbraw/zinc/73/50/91/1185735091.db2.gz BTTREEAMYHEQJD-CABCVRRESA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001755392356 1185939499 /nfs/dbraw/zinc/93/94/99/1185939499.db2.gz UOVCYKZGZDZIQY-ZIAGYGMSSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001755562489 1185992349 /nfs/dbraw/zinc/99/23/49/1185992349.db2.gz PHRWZVBITRSVKR-YUELXQCFSA-N 2 0 279.428 1.339 20 30 CDEDRP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001755594193 1186006214 /nfs/dbraw/zinc/00/62/14/1186006214.db2.gz NDACJZWLNWJLQT-CABCVRRESA-N 2 0 281.444 1.729 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC001755756816 1186060092 /nfs/dbraw/zinc/06/00/92/1186060092.db2.gz GSYSJIRLSKFHNT-OAHLLOKOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193499608 1164391126 /nfs/dbraw/zinc/39/11/26/1164391126.db2.gz JXPBCCAHDCFMLY-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP C#CCN1CCC[C@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000886659385 742628785 /nfs/dbraw/zinc/62/87/85/742628785.db2.gz LJKPNRMZJVIMJU-PMPSAXMXSA-N 2 0 263.429 1.404 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCCC1 ZINC001115249687 1164890211 /nfs/dbraw/zinc/89/02/11/1164890211.db2.gz KGVIBBRVXHTDJC-QLPKVWCKSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000876766683 739704434 /nfs/dbraw/zinc/70/44/34/739704434.db2.gz PWDCQXHHGKEXEN-QWHCGFSZSA-N 2 0 287.835 1.837 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001034723066 739778920 /nfs/dbraw/zinc/77/89/20/739778920.db2.gz DLBDMAUJNONGBV-SHTZXODSSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001027649612 739812080 /nfs/dbraw/zinc/81/20/80/739812080.db2.gz PPUUDIPYBSMBGK-ZDUSSCGKSA-N 2 0 288.395 1.243 20 30 CDEDRP C[C@H](CO)N(C)[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000842541141 739863533 /nfs/dbraw/zinc/86/35/33/739863533.db2.gz FTFGNDUOOYUGEY-CQSZACIVSA-N 2 0 290.411 1.085 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CC ZINC001037980197 739869071 /nfs/dbraw/zinc/86/90/71/739869071.db2.gz XBUXYLLBAYVXFA-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049516083 739891112 /nfs/dbraw/zinc/89/11/12/739891112.db2.gz ZGNBGEDGZIESQE-HUUCEWRRSA-N 2 0 291.439 1.722 20 30 CDEDRP CN1CCC[NH+]=C1NCCCCC[NH+]1CCCCC1 ZINC000849007626 740193506 /nfs/dbraw/zinc/19/35/06/740193506.db2.gz GREJWBPXXPDBDL-UHFFFAOYSA-N 2 0 266.433 1.924 20 30 CDEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997507189 740245680 /nfs/dbraw/zinc/24/56/80/740245680.db2.gz BTHUQIAUUFSVNL-ZFWWWQNUSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000986479224 740350387 /nfs/dbraw/zinc/35/03/87/740350387.db2.gz FLQIHVOXGIAEJM-WFASDCNBSA-N 2 0 282.347 1.160 20 30 CDEDRP C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000304758494 740367396 /nfs/dbraw/zinc/36/73/96/740367396.db2.gz QDDSFCSLCWJKGY-CHWSQXEVSA-N 2 0 252.406 1.375 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001028693242 740466099 /nfs/dbraw/zinc/46/60/99/740466099.db2.gz LDZXTHRJMARYCN-AWEZNQCLSA-N 2 0 298.390 1.962 20 30 CDEDRP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001046834239 740340097 /nfs/dbraw/zinc/34/00/97/740340097.db2.gz PEOIOIKYPFNKQY-HIFRSBDPSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001202526650 1165009905 /nfs/dbraw/zinc/00/99/05/1165009905.db2.gz NFEMGCJKNHBLPF-UHFFFAOYSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CCCC[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000817285428 740666326 /nfs/dbraw/zinc/66/63/26/740666326.db2.gz KGTKFLKUUMMQSJ-UHFFFAOYSA-N 2 0 277.456 1.892 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001032118154 740688113 /nfs/dbraw/zinc/68/81/13/740688113.db2.gz UJSUWUBSPPOJSR-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995917484 740810797 /nfs/dbraw/zinc/81/07/97/740810797.db2.gz VELGFBDTRICRTR-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001020926609 740850112 /nfs/dbraw/zinc/85/01/12/740850112.db2.gz GLWJKHRQBRRVIV-TUVASFSCSA-N 2 0 279.428 1.530 20 30 CDEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH+]C)N1CC[C@@]2(CCOC2)C1 ZINC000262023263 740898924 /nfs/dbraw/zinc/89/89/24/740898924.db2.gz ZGMOHEWUICZAIU-GOEBONIOSA-N 2 0 296.459 1.405 20 30 CDEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001034704857 740981402 /nfs/dbraw/zinc/98/14/02/740981402.db2.gz XLRRILHYZKVKKH-SHTZXODSSA-N 2 0 291.439 1.511 20 30 CDEDRP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001027575702 741026114 /nfs/dbraw/zinc/02/61/14/741026114.db2.gz CJRZUGATQXBHJJ-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@@H](CC(C)C)[NH+]1CCCC1 ZINC000303790375 741248439 /nfs/dbraw/zinc/24/84/39/741248439.db2.gz WDIBLNIQCWNSCO-OAHLLOKOSA-N 2 0 298.475 1.828 20 30 CDEDRP C#CCCCCCC[NH2+]CCCN1CC[NH+](C)CC1 ZINC000877143314 741353267 /nfs/dbraw/zinc/35/32/67/741353267.db2.gz LKMOASBFDZMUBI-UHFFFAOYSA-N 2 0 265.445 1.797 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000996691084 741364007 /nfs/dbraw/zinc/36/40/07/741364007.db2.gz SAFUHIFQHMBGBG-OAHLLOKOSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000987294027 741460352 /nfs/dbraw/zinc/46/03/52/741460352.db2.gz QFAVGVTUQPKWES-GDBMZVCRSA-N 2 0 291.439 1.319 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001029004125 741663987 /nfs/dbraw/zinc/66/39/87/741663987.db2.gz TWFSAOSLPKEPGT-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP CC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001017664673 742059791 /nfs/dbraw/zinc/05/97/91/742059791.db2.gz YFZIMQLHFXZVAU-XHSDSOJGSA-N 2 0 289.423 1.169 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001028321111 742338418 /nfs/dbraw/zinc/33/84/18/742338418.db2.gz ZZHLCMUMWGBCQZ-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP C[N@H+](C[C@@H](O)CC1(C#N)CCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000886018495 739399788 /nfs/dbraw/zinc/39/97/88/739399788.db2.gz BDCNDPIKZFJJLJ-CABCVRRESA-N 2 0 279.428 1.705 20 30 CDEDRP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041378694 739507648 /nfs/dbraw/zinc/50/76/48/739507648.db2.gz KVQOHZUSEVIFIP-DOTOQJQBSA-N 2 0 291.439 1.130 20 30 CDEDRP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034523676 739537771 /nfs/dbraw/zinc/53/77/71/739537771.db2.gz AGGDVLXRGSLGNN-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C[C@@](C[NH3+])([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000923296236 739553516 /nfs/dbraw/zinc/55/35/16/739553516.db2.gz PWEOEZXMJJYMAH-ZBFHGGJFSA-N 2 0 289.379 1.015 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000134123193 739625152 /nfs/dbraw/zinc/62/51/52/739625152.db2.gz BUKQJNHMXNITCM-AWEZNQCLSA-N 2 0 284.448 1.295 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015797081 739730428 /nfs/dbraw/zinc/73/04/28/739730428.db2.gz XBLPDEDNUCBWIH-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046197569 739773393 /nfs/dbraw/zinc/77/33/93/739773393.db2.gz MJVCIQOYBYOETK-HIFRSBDPSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001036158494 739835174 /nfs/dbraw/zinc/83/51/74/739835174.db2.gz BUFNBSUJJUPFPE-ZFWWWQNUSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001028446838 740047612 /nfs/dbraw/zinc/04/76/12/740047612.db2.gz JFTIOEBYPVADFX-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261847558 740064874 /nfs/dbraw/zinc/06/48/74/740064874.db2.gz SMDKITGDJRPDJH-MJBXVCDLSA-N 2 0 296.459 1.307 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001027794980 740203063 /nfs/dbraw/zinc/20/30/63/740203063.db2.gz MCVYJXNFQRKHBR-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP COCCN(C)CC[NH+]=C(NCc1ccccc1)N(C)C ZINC000303980197 740214823 /nfs/dbraw/zinc/21/48/23/740214823.db2.gz NVKPFBNKFZRGQF-UHFFFAOYSA-N 2 0 292.427 1.272 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001008535598 740278267 /nfs/dbraw/zinc/27/82/67/740278267.db2.gz UKAXOUSJOBHPIX-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C[C@@H]1CCCN(C(=[NH2+])NCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000303905010 740304731 /nfs/dbraw/zinc/30/47/31/740304731.db2.gz VHKQLMHLVLRUJN-ZIAGYGMSSA-N 2 0 266.433 1.765 20 30 CDEDRP COc1ccc(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1C#N ZINC000925616567 740335115 /nfs/dbraw/zinc/33/51/15/740335115.db2.gz NFCFQKYPRVNEGY-UMCUTINXSA-N 2 0 283.375 1.653 20 30 CDEDRP CCC(CC)[C@@H](CNC(=[NH2+])N1CCOCC1)[NH+]1CCCC1 ZINC000303780877 740374060 /nfs/dbraw/zinc/37/40/60/740374060.db2.gz LUIOMAMGANUFCQ-OAHLLOKOSA-N 2 0 296.459 1.534 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001031817092 740391884 /nfs/dbraw/zinc/39/18/84/740391884.db2.gz PDCWNKNJSPESLI-UHFFFAOYSA-N 2 0 284.363 1.572 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001038340755 740784080 /nfs/dbraw/zinc/78/40/80/740784080.db2.gz PDOCVXMIGIJARX-CVEARBPZSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033228878 740904513 /nfs/dbraw/zinc/90/45/13/740904513.db2.gz PBZGFCKPUILECY-HNNXBMFYSA-N 2 0 289.423 1.171 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000303867196 740940704 /nfs/dbraw/zinc/94/07/04/740940704.db2.gz CTSSBYHKQVCLDQ-OLZOCXBDSA-N 2 0 270.421 1.046 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N(CCC)CCC[NH+](C)C ZINC000787769119 741095347 /nfs/dbraw/zinc/09/53/47/741095347.db2.gz RYGPXTAWMVJJJV-HNNXBMFYSA-N 2 0 279.428 1.274 20 30 CDEDRP C#CCN1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000989487001 741110016 /nfs/dbraw/zinc/11/00/16/741110016.db2.gz XPUJUXJNEFWABU-HZPDHXFCSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001018938621 741120937 /nfs/dbraw/zinc/12/09/37/741120937.db2.gz VURDCFJJYCGSEJ-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](CCCF)CC1 ZINC001003056932 741128202 /nfs/dbraw/zinc/12/82/02/741128202.db2.gz WGCLDWARMHCCTL-HNNXBMFYSA-N 2 0 295.402 1.024 20 30 CDEDRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])N(C)C2CC2)C1 ZINC000305807042 741574958 /nfs/dbraw/zinc/57/49/58/741574958.db2.gz GWNHQYLFDOLREL-LBPRGKRZSA-N 2 0 252.406 1.373 20 30 CDEDRP C=C(C)CCN1CC(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001030955124 741660271 /nfs/dbraw/zinc/66/02/71/741660271.db2.gz DYQGYZVLQVGYOR-CYBMUJFWSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001027942231 741723262 /nfs/dbraw/zinc/72/32/62/741723262.db2.gz AQDQEPWTUQLBHV-HOTGVXAUSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015273668 742013702 /nfs/dbraw/zinc/01/37/02/742013702.db2.gz BCCSSZHXEUXHKE-CYBMUJFWSA-N 2 0 270.336 1.324 20 30 CDEDRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])N2CCCCC2)C1 ZINC000303891687 742039325 /nfs/dbraw/zinc/03/93/25/742039325.db2.gz NFWBUXPLXXYWBB-CYBMUJFWSA-N 2 0 252.406 1.519 20 30 CDEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001006292833 742213886 /nfs/dbraw/zinc/21/38/86/742213886.db2.gz UUXNCMZHNLFDGA-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001027419770 742324765 /nfs/dbraw/zinc/32/47/65/742324765.db2.gz SXURXAIRIDHJPB-OWCLPIDISA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001072979934 742534902 /nfs/dbraw/zinc/53/49/02/742534902.db2.gz RJPDAIZJUCVMRH-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCCCCC2)C1 ZINC000126007564 742608432 /nfs/dbraw/zinc/60/84/32/742608432.db2.gz XHSDGXJSXXQULG-CYBMUJFWSA-N 2 0 252.406 1.519 20 30 CDEDRP C=CCCN1CC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001043069488 742778624 /nfs/dbraw/zinc/77/86/24/742778624.db2.gz BBXBIVBLNFWYGT-HOCLYGCPSA-N 2 0 291.439 1.722 20 30 CDEDRP C=CC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992415657 742800021 /nfs/dbraw/zinc/80/00/21/742800021.db2.gz MZMJGHJQQNDLDV-HLLBOEOZSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001502754814 1167774947 /nfs/dbraw/zinc/77/49/47/1167774947.db2.gz XJYGUAJTFWAFST-AAEUAGOBSA-N 2 0 287.835 1.517 20 30 CDEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001175318385 913537650 /nfs/dbraw/zinc/53/76/50/913537650.db2.gz ZNAQASKTZVSQRB-KBPBESRZSA-N 2 0 269.433 1.777 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209419287 894662900 /nfs/dbraw/zinc/66/29/00/894662900.db2.gz KIVWOLWFZXWQGM-GFCCVEGCSA-N 2 0 273.808 1.271 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176165757 913973550 /nfs/dbraw/zinc/97/35/50/913973550.db2.gz OCYCNZZQGVJKPG-HOTGVXAUSA-N 2 0 293.455 1.616 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176319187 914073950 /nfs/dbraw/zinc/07/39/50/914073950.db2.gz SKSUUZJQMZCHEH-UHFFFAOYSA-N 2 0 279.428 1.372 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001167639714 897137901 /nfs/dbraw/zinc/13/79/01/897137901.db2.gz DXHPCSYOMWXDPE-UHFFFAOYSA-N 2 0 279.428 1.228 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267561131 898374408 /nfs/dbraw/zinc/37/44/08/898374408.db2.gz MCFKLYHHSCCPNC-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001026420839 899873222 /nfs/dbraw/zinc/87/32/22/899873222.db2.gz LYAGDJDBHQALAY-ARFHVFGLSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176986832 914413377 /nfs/dbraw/zinc/41/33/77/914413377.db2.gz WYRFBCMUYUPZNQ-AWEZNQCLSA-N 2 0 267.417 1.533 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106882538 914490358 /nfs/dbraw/zinc/49/03/58/914490358.db2.gz XAWQUBRMPZWGQB-HUUCEWRRSA-N 2 0 291.439 1.342 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106881877 914494979 /nfs/dbraw/zinc/49/49/79/914494979.db2.gz NLTREMYQVRLJMY-QLFBSQMISA-N 2 0 279.428 1.198 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001203215706 902829371 /nfs/dbraw/zinc/82/93/71/902829371.db2.gz XGDFAXSGVAKZGF-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168022456 905830631 /nfs/dbraw/zinc/83/06/31/905830631.db2.gz PEFBEYNFOLYOFI-ZIAGYGMSSA-N 2 0 299.846 1.852 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001088414320 907130658 /nfs/dbraw/zinc/13/06/58/907130658.db2.gz COCOUPMUGWDWHP-OAHLLOKOSA-N 2 0 291.439 1.629 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189055645 921311138 /nfs/dbraw/zinc/31/11/38/921311138.db2.gz YNDVONBRIYIGIU-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110160398 910711013 /nfs/dbraw/zinc/71/10/13/910711013.db2.gz NAONIUXWDDNDTO-ILXRZTDVSA-N 2 0 279.428 1.624 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001004207452 921664020 /nfs/dbraw/zinc/66/40/20/921664020.db2.gz WFIMTCHIBWEGNT-GASCZTMLSA-N 2 0 291.439 1.463 20 30 CDEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172319956 911564068 /nfs/dbraw/zinc/56/40/68/911564068.db2.gz SKKZMHKOTRSEEO-RRQGHBQHSA-N 2 0 269.392 1.983 20 30 CDEDRP C[C@H](CCCC#N)[NH2+]CC1CC[NH+](CCO)CC1 ZINC001172484079 911687948 /nfs/dbraw/zinc/68/79/48/911687948.db2.gz XGLAJIDRAOCLJB-CYBMUJFWSA-N 2 0 253.390 1.363 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001094937570 911845412 /nfs/dbraw/zinc/84/54/12/911845412.db2.gz KVTCHCXIYSEFHJ-LZWOXQAQSA-N 2 0 289.423 1.073 20 30 CDEDRP [NH2+]=C(NCCc1ccccc1)NCC[NH+]1CCCC1 ZINC000170907746 912094044 /nfs/dbraw/zinc/09/40/44/912094044.db2.gz VTUZSEVODMCEHY-UHFFFAOYSA-N 2 0 260.385 1.229 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)C1([NH+](C)C)CCC1 ZINC001178693642 915578005 /nfs/dbraw/zinc/57/80/05/915578005.db2.gz YUXJAKXFQVPJNM-UHFFFAOYSA-N 2 0 293.455 1.760 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179486340 915853120 /nfs/dbraw/zinc/85/31/20/915853120.db2.gz JUQTZWQCJDHKEA-STQMWFEESA-N 2 0 253.390 1.093 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179925796 916063805 /nfs/dbraw/zinc/06/38/05/916063805.db2.gz URHZDSDZPNDJID-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001180211961 916195941 /nfs/dbraw/zinc/19/59/41/916195941.db2.gz WBDOMOQWPFZNOL-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001181736083 917353878 /nfs/dbraw/zinc/35/38/78/917353878.db2.gz IBZHTSVKHWMMTE-RHSMWYFYSA-N 2 0 293.455 1.731 20 30 CDEDRP C[NH+](C)CCCN1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254670917 936441586 /nfs/dbraw/zinc/44/15/86/936441586.db2.gz NGOJFUPDPHYVEG-GJZGRUSLSA-N 2 0 264.417 1.248 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC001183045381 918269388 /nfs/dbraw/zinc/26/93/88/918269388.db2.gz YLNMIOGGQJDJGW-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP N#Cc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001205208592 918895295 /nfs/dbraw/zinc/89/52/95/918895295.db2.gz DNLZHSWDINQJIC-OAHLLOKOSA-N 2 0 259.353 1.234 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001185029385 919386860 /nfs/dbraw/zinc/38/68/60/919386860.db2.gz HJGFLBAIMBQJCV-LSDHHAIUSA-N 2 0 279.428 1.036 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001185609534 919676566 /nfs/dbraw/zinc/67/65/66/919676566.db2.gz JZVOGJROXQOGHO-KGLIPLIRSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001161206777 936678791 /nfs/dbraw/zinc/67/87/91/936678791.db2.gz NWOHWZBHJRPAGM-HNNXBMFYSA-N 2 0 291.439 1.795 20 30 CDEDRP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001190492512 922045580 /nfs/dbraw/zinc/04/55/80/922045580.db2.gz QEFDRHFTSGDNQQ-JKSUJKDBSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCN2C)C1 ZINC001098760381 936760993 /nfs/dbraw/zinc/76/09/93/936760993.db2.gz ZSRRCNIKNTYNEN-DZKIICNBSA-N 2 0 277.412 1.237 20 30 CDEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001192343756 923021573 /nfs/dbraw/zinc/02/15/73/923021573.db2.gz QYNQICYLHCXKHK-HUUCEWRRSA-N 2 0 277.412 1.027 20 30 CDEDRP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001192354490 923028442 /nfs/dbraw/zinc/02/84/42/923028442.db2.gz LZBTYFLZSAHBAK-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C[C@H]1CC[N@H+](Cc2cccc(C#N)n2)CC[C@@H]1C[NH3+] ZINC001205638109 923778954 /nfs/dbraw/zinc/77/89/54/923778954.db2.gz LKAKOJTZVPOXCI-QWHCGFSZSA-N 2 0 258.369 1.760 20 30 CDEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001194266078 924140862 /nfs/dbraw/zinc/14/08/62/924140862.db2.gz KENABMJITRBQSI-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001102496386 937061388 /nfs/dbraw/zinc/06/13/88/937061388.db2.gz SLLYALFCNUIOHD-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001201150110 926205674 /nfs/dbraw/zinc/20/56/74/926205674.db2.gz XDMTWUFWHLTUQS-HNNXBMFYSA-N 2 0 279.428 1.177 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCCO1 ZINC001201809081 926407188 /nfs/dbraw/zinc/40/71/88/926407188.db2.gz KDCWCWXPFSXMSN-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001103435100 937141541 /nfs/dbraw/zinc/14/15/41/937141541.db2.gz PTYMKIOMZHKUON-ARFHVFGLSA-N 2 0 291.439 1.036 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103397093 937140059 /nfs/dbraw/zinc/14/00/59/937140059.db2.gz ZJKSOVYDOCBILI-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001490552364 927220292 /nfs/dbraw/zinc/22/02/92/927220292.db2.gz APNVUKKIYBBQOH-HNNXBMFYSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169808059 928447156 /nfs/dbraw/zinc/44/71/56/928447156.db2.gz BAHCRZXHFPVFFF-CABCVRRESA-N 2 0 279.428 1.369 20 30 CDEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001109068542 928780552 /nfs/dbraw/zinc/78/05/52/928780552.db2.gz ZPOQJYVBKXNSMO-UGUYLWEFSA-N 2 0 291.439 1.768 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109405862 928923821 /nfs/dbraw/zinc/92/38/21/928923821.db2.gz DYCQIMZBLIONDA-UGUYLWEFSA-N 2 0 289.423 1.071 20 30 CDEDRP CN(C)/C=[NH+]/c1ccc(NC[C@H]2COCC[NH2+]2)cc1C#N ZINC001170044422 929138130 /nfs/dbraw/zinc/13/81/30/929138130.db2.gz LFYBPZXRYVWOSF-YRIIZNAFSA-N 2 0 287.367 1.180 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939406 930550110 /nfs/dbraw/zinc/55/01/10/930550110.db2.gz ZTPIQZAWTYACHJ-KBPBESRZSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135979321 930579427 /nfs/dbraw/zinc/57/94/27/930579427.db2.gz FLBZHFRVBIVRFU-KBPBESRZSA-N 2 0 267.417 1.224 20 30 CDEDRP C#CC[NH2+]CCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001153266399 937435537 /nfs/dbraw/zinc/43/55/37/937435537.db2.gz IVOHEZOFQAZYPR-UHFFFAOYSA-N 2 0 277.368 1.074 20 30 CDEDRP CC(C)(C)c1ccc(C#N)c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001170899263 930697731 /nfs/dbraw/zinc/69/77/31/930697731.db2.gz YXDMAJKAPNUKKF-LBPRGKRZSA-N 2 0 261.373 1.686 20 30 CDEDRP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001274964262 931617931 /nfs/dbraw/zinc/61/79/31/931617931.db2.gz GEWMMIPXPPEUNV-GJZGRUSLSA-N 2 0 251.418 1.663 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001091305923 932086753 /nfs/dbraw/zinc/08/67/53/932086753.db2.gz STPJPNVQEMYJEA-UHFFFAOYSA-N 2 0 291.439 1.224 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171247299 932119040 /nfs/dbraw/zinc/11/90/40/932119040.db2.gz LARDJQNZXUJDRP-GOEBONIOSA-N 2 0 293.455 1.615 20 30 CDEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171254554 932143938 /nfs/dbraw/zinc/14/39/38/932143938.db2.gz UJFKYEAMBYMEJK-DZGCQCFKSA-N 2 0 281.444 1.777 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCF)CC1 ZINC001146614550 932271335 /nfs/dbraw/zinc/27/13/35/932271335.db2.gz YJEMASAPZPSSTI-KBPBESRZSA-N 2 0 297.418 1.174 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001147466360 932510799 /nfs/dbraw/zinc/51/07/99/932510799.db2.gz JWGJTYQZRBSPHG-INIZCTEOSA-N 2 0 289.423 1.961 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]C(C)C ZINC001171308914 932531016 /nfs/dbraw/zinc/53/10/16/932531016.db2.gz ZIDQYPKBLLHGSG-HOTGVXAUSA-N 2 0 293.455 1.757 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)CC[N@@H+](C)CCC ZINC001148570375 932743143 /nfs/dbraw/zinc/74/31/43/932743143.db2.gz BVXBYGFQXREHMR-UHFFFAOYSA-N 2 0 261.797 1.177 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001155751588 937670723 /nfs/dbraw/zinc/67/07/23/937670723.db2.gz QBQPDSFMXFVQEA-UONOGXRCSA-N 2 0 290.411 1.438 20 30 CDEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120130490 937782370 /nfs/dbraw/zinc/78/23/70/937782370.db2.gz ZYLSKNZXKTTXCF-OAHLLOKOSA-N 2 0 291.439 1.370 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC001120596034 937815654 /nfs/dbraw/zinc/81/56/54/937815654.db2.gz ADNBEBFSCGAHGV-AWEZNQCLSA-N 2 0 294.443 1.407 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC001121971354 937895613 /nfs/dbraw/zinc/89/56/13/937895613.db2.gz ABQMRBFWLLVGRN-QLFBSQMISA-N 2 0 279.428 1.613 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098500 938453946 /nfs/dbraw/zinc/45/39/46/938453946.db2.gz IIWKZEDKVCEDLD-MRXNPFEDSA-N 2 0 293.455 1.712 20 30 CDEDRP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1C ZINC001158472981 938628645 /nfs/dbraw/zinc/62/86/45/938628645.db2.gz IGUAARPIEILSBT-JKSUJKDBSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158856255 938671083 /nfs/dbraw/zinc/67/10/83/938671083.db2.gz BZPMZRJAYYFIQL-OAHLLOKOSA-N 2 0 277.412 1.028 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001159916245 938760225 /nfs/dbraw/zinc/76/02/25/938760225.db2.gz PTHQCOLZLOYGTJ-INIZCTEOSA-N 2 0 291.439 1.513 20 30 CDEDRP C#CC[NH+]1CC=C(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001161220073 938879938 /nfs/dbraw/zinc/87/99/38/938879938.db2.gz SJAMKFWRHSWGJD-HNNXBMFYSA-N 2 0 289.423 1.100 20 30 CDEDRP N#CCc1cc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)cc[nH+]1 ZINC001163290580 939241122 /nfs/dbraw/zinc/24/11/22/939241122.db2.gz JUJMWJWWSCSCNQ-BBRMVZONSA-N 2 0 286.379 1.140 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001165727821 939575780 /nfs/dbraw/zinc/57/57/80/939575780.db2.gz IXDVCUIRZVLCBC-CYBMUJFWSA-N 2 0 267.417 1.389 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001206275167 940010528 /nfs/dbraw/zinc/01/05/28/940010528.db2.gz PCUOGAJQMMFZRE-HNNXBMFYSA-N 2 0 291.439 1.322 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001206882941 940107122 /nfs/dbraw/zinc/10/71/22/940107122.db2.gz KQMADUCNRPIBIH-UHFFFAOYSA-N 2 0 293.455 1.570 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001208278781 940314198 /nfs/dbraw/zinc/31/41/98/940314198.db2.gz AIOVRGIDBRVYSS-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001208331686 940320337 /nfs/dbraw/zinc/32/03/37/940320337.db2.gz VSYWDXQSXVGVLN-AWEZNQCLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001208339476 940321745 /nfs/dbraw/zinc/32/17/45/940321745.db2.gz AJLCJVTYKPYIMX-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208515341 940337341 /nfs/dbraw/zinc/33/73/41/940337341.db2.gz IFBIXGNALMCVRZ-RBSFLKMASA-N 2 0 281.444 1.585 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208917796 940405788 /nfs/dbraw/zinc/40/57/88/940405788.db2.gz BIRSGYWKHBJBQI-HNNXBMFYSA-N 2 0 291.439 1.465 20 30 CDEDRP N#Cc1ccc([C@H](O)CN2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000402237233 940891399 /nfs/dbraw/zinc/89/13/99/940891399.db2.gz FYDOPJXWRFRKFQ-CVEARBPZSA-N 2 0 271.364 1.277 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001216002718 940916127 /nfs/dbraw/zinc/91/61/27/940916127.db2.gz ZPPALWXRVCZVNC-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP C#CC1(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CCCCC1 ZINC001221276194 941509200 /nfs/dbraw/zinc/50/92/00/941509200.db2.gz SRMGDIWIVKUJSV-AWEZNQCLSA-N 2 0 279.428 1.498 20 30 CDEDRP C=CC[C@@H](NC(=O)[C@H]([NH3+])CCC[NH3+])c1ccccc1 ZINC001221357431 941521755 /nfs/dbraw/zinc/52/17/55/941521755.db2.gz GWUQEQHNVHRSSW-ZIAGYGMSSA-N 2 0 261.369 1.486 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962837 941556384 /nfs/dbraw/zinc/55/63/84/941556384.db2.gz YZUFJDCEBQYMBX-HZPDHXFCSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001222613295 941620386 /nfs/dbraw/zinc/62/03/86/941620386.db2.gz VPRXJICWDZJLHE-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCCC[N@H+]1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1 ZINC001276979149 941766382 /nfs/dbraw/zinc/76/63/82/941766382.db2.gz WMQOHYJWHZHJGG-WMLDXEAASA-N 2 0 289.423 1.075 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001225346302 941847177 /nfs/dbraw/zinc/84/71/77/941847177.db2.gz MCHMSJUOJAKRRK-KFWWJZLASA-N 2 0 279.428 1.674 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001316604419 942461969 /nfs/dbraw/zinc/46/19/69/942461969.db2.gz MASIXCZXFFVBOH-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP CN(C)CC[N@H+]1CC[C@H]2C[NH+](CCC#N)C[C@H]2CC1 ZINC001277939400 944134365 /nfs/dbraw/zinc/13/43/65/944134365.db2.gz QQGCTSQJKHBGDZ-GASCZTMLSA-N 2 0 264.417 1.105 20 30 CDEDRP C=C[C@](C)(O)C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001246031450 947909488 /nfs/dbraw/zinc/90/94/88/947909488.db2.gz IJIVWUHGBNYMKD-CABCVRRESA-N 2 0 252.402 1.778 20 30 CDEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246310157 948097895 /nfs/dbraw/zinc/09/78/95/948097895.db2.gz ZECPQORCWMEXTG-YJNKXOJESA-N 2 0 295.427 1.086 20 30 CDEDRP C=C(C)C(=O)OCC[NH2+][C@@H](C)CC[NH+](CC)CC ZINC001255946596 948132771 /nfs/dbraw/zinc/13/27/71/948132771.db2.gz WQGZADKEFRCKBN-ZDUSSCGKSA-N 2 0 256.390 1.816 20 30 CDEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@H]1CCC[NH2+]C1 ZINC001246527189 948230754 /nfs/dbraw/zinc/23/07/54/948230754.db2.gz RWMRBXAMDNVMFM-HNNXBMFYSA-N 3 0 260.385 1.405 20 30 CDEDRP C[C@@H]1C[C@@H](N2CC[C@H]3SC(=O)C=C3C2)CC[NH2+]1 ZINC001246692932 948406314 /nfs/dbraw/zinc/40/63/14/948406314.db2.gz ITLPZYVDPURDGA-ADEWGFFLSA-N 2 0 252.383 1.401 20 30 CDEDRP N#CCC1C[NH+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256854925 948434327 /nfs/dbraw/zinc/43/43/27/948434327.db2.gz AGUDNTRUELSTSW-UHFFFAOYSA-N 2 0 256.353 1.896 20 30 CDEDRP N#Cc1cc(F)cc(-c2noc([C@@H]3C[NH2+]CC34C[NH2+]C4)n2)c1 ZINC001247828219 948803233 /nfs/dbraw/zinc/80/32/33/948803233.db2.gz BRBWUMJFRFUWAV-LBPRGKRZSA-N 2 0 299.309 1.024 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]CCc1c[nH]c2cc[nH+]cc12 ZINC001252492686 951362050 /nfs/dbraw/zinc/36/20/50/951362050.db2.gz ZUYXNXPMZGJTKZ-CYBMUJFWSA-N 2 0 275.352 1.259 20 30 CDEDRP C=C[C@@](C)(O)C[NH2+]CC1CC[NH+](Cc2ccccn2)CC1 ZINC001252580651 951474390 /nfs/dbraw/zinc/47/43/90/951474390.db2.gz SPNPWLZNGAFJLW-QGZVFWFLSA-N 2 0 289.423 1.820 20 30 CDEDRP C=CCC[C@@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001252618386 951511214 /nfs/dbraw/zinc/51/12/14/951511214.db2.gz UCSDRNVVISIMIC-LXTVHRRPSA-N 2 0 252.402 1.918 20 30 CDEDRP N#CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001327197070 954765083 /nfs/dbraw/zinc/76/50/83/954765083.db2.gz LVVAITDUBYGJJE-KGLIPLIRSA-N 2 0 259.353 1.948 20 30 CDEDRP C=C(CC[NH+](C)C)C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001304167593 956178517 /nfs/dbraw/zinc/17/85/17/956178517.db2.gz VDBCADVOXUXRRJ-UHFFFAOYSA-N 2 0 258.325 1.781 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001366348852 956762580 /nfs/dbraw/zinc/76/25/80/956762580.db2.gz WOGREFKGHSPOFL-CYBMUJFWSA-N 2 0 287.835 1.565 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NCC1([NH3+])CC1)C(C)C ZINC001335382875 959761707 /nfs/dbraw/zinc/76/17/07/959761707.db2.gz BMXXTDYEPBAYOJ-CQSZACIVSA-N 2 0 294.443 1.476 20 30 CDEDRP C=C(Cl)CN1CC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001418661311 960864950 /nfs/dbraw/zinc/86/49/50/960864950.db2.gz SPUHQOOSCBMAKB-ZDUSSCGKSA-N 2 0 299.846 1.661 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001100377531 968166199 /nfs/dbraw/zinc/16/61/99/968166199.db2.gz CWSHJALLKFSLDR-NRXISQOPSA-N 2 0 297.418 1.174 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001100406802 968260804 /nfs/dbraw/zinc/26/08/04/968260804.db2.gz MPQRKMFABKFNTD-GPANFISMSA-N 2 0 291.439 1.367 20 30 CDEDRP C=CCCC[NH2+]C1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001100634920 968837008 /nfs/dbraw/zinc/83/70/08/968837008.db2.gz SFRQFOZRCNZUMF-UHFFFAOYSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001100651744 968870046 /nfs/dbraw/zinc/87/00/46/968870046.db2.gz HAIZEXZISGNWSM-JXQTWKCFSA-N 2 0 267.417 1.243 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001100681130 968937390 /nfs/dbraw/zinc/93/73/90/968937390.db2.gz XRQLSOSMDOEBLN-UHFFFAOYSA-N 2 0 279.428 1.082 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001378501302 975368417 /nfs/dbraw/zinc/36/84/17/975368417.db2.gz OCIHKDORYHSWSE-CQSZACIVSA-N 2 0 299.846 1.804 20 30 CDEDRP C=C(Cl)CN1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001389502385 975874183 /nfs/dbraw/zinc/87/41/83/975874183.db2.gz FJFSQARODFJWFG-QWHCGFSZSA-N 2 0 287.835 1.516 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001391939539 977157298 /nfs/dbraw/zinc/15/72/98/977157298.db2.gz TZPAEKDJAXFENC-PWSUYJOCSA-N 2 0 275.824 1.421 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132377000 1163259952 /nfs/dbraw/zinc/25/99/52/1163259952.db2.gz SHWZIOZUYQEEEF-GJZGRUSLSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132411253 1163279633 /nfs/dbraw/zinc/27/96/33/1163279633.db2.gz XAWAUZGASZVSOH-KGLIPLIRSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001133181873 1163598199 /nfs/dbraw/zinc/59/81/99/1163598199.db2.gz KEXKYOXAUIAEGK-CVEARBPZSA-N 2 0 295.471 1.979 20 30 CDEDRP CSC1(C[NH2+]C[C@H](C#N)CCC#N)CC[NH+](C)CC1 ZINC000562911327 361946376 /nfs/dbraw/zinc/94/63/76/361946376.db2.gz KMQZXJMKDITIMI-ZDUSSCGKSA-N 2 0 280.441 1.847 20 30 CDEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523981 342268836 /nfs/dbraw/zinc/26/88/36/342268836.db2.gz KRZOIXUEMZPMOC-ZDUSSCGKSA-N 2 0 267.417 1.341 20 30 CDEDRP N#Cc1sccc1N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000594736830 342950192 /nfs/dbraw/zinc/95/01/92/342950192.db2.gz WOFQEXLMVDHXTH-UHFFFAOYSA-N 2 0 290.436 1.741 20 30 CDEDRP C[C@H](CCC#N)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000602485269 344449446 /nfs/dbraw/zinc/44/94/46/344449446.db2.gz WZQNLSLFCDBESX-ZACQAIPSSA-N 2 0 292.471 1.884 20 30 CDEDRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(C#N)cn3)C2)CC1 ZINC000602878122 350157832 /nfs/dbraw/zinc/15/78/32/350157832.db2.gz VWCGWIWTISULSP-UHFFFAOYSA-N 2 0 270.380 1.871 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC000264976883 359319013 /nfs/dbraw/zinc/31/90/13/359319013.db2.gz IVFFICFPWRZKJT-CVEARBPZSA-N 2 0 293.455 1.895 20 30 CDEDRP C=CCOCCC[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000348051848 359803229 /nfs/dbraw/zinc/80/32/29/359803229.db2.gz RTIJLGUYZAJZKB-OAHLLOKOSA-N 2 0 268.401 1.233 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000057139576 360133501 /nfs/dbraw/zinc/13/35/01/360133501.db2.gz MNLUCKOGMXTANB-UHFFFAOYSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000178818636 189148375 /nfs/dbraw/zinc/14/83/75/189148375.db2.gz CFGMMLOADRRZHR-MRXNPFEDSA-N 2 0 287.407 1.843 20 30 CDEDRP CN(C)C(=[NH2+])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000170908697 365159710 /nfs/dbraw/zinc/15/97/10/365159710.db2.gz CYINUFNMKLNDIT-UHFFFAOYSA-N 2 0 260.385 1.659 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000305075105 370844668 /nfs/dbraw/zinc/84/46/68/370844668.db2.gz KRXQHYUYZMYQKD-HZPDHXFCSA-N 2 0 281.444 1.025 20 30 CDEDRP C=C(CC)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000358820953 367908125 /nfs/dbraw/zinc/90/81/25/367908125.db2.gz UYIRPZRASDADGM-CVEARBPZSA-N 2 0 265.445 1.910 20 30 CDEDRP C=CCNC(=O)CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860054 369469894 /nfs/dbraw/zinc/46/98/94/369469894.db2.gz NQMTWSFXSJPFCY-ZDUSSCGKSA-N 2 0 253.390 1.095 20 30 CDEDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000276608355 193399081 /nfs/dbraw/zinc/39/90/81/193399081.db2.gz IAWNIYZCCQNYPS-UHFFFAOYSA-N 2 0 290.411 1.222 20 30 CDEDRP C=CCC[C@H](O)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000247414691 377112645 /nfs/dbraw/zinc/11/26/45/377112645.db2.gz MULDEDLBFICRLY-CABCVRRESA-N 2 0 254.418 1.977 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417527869 377840222 /nfs/dbraw/zinc/84/02/22/377840222.db2.gz OAFIPRXIMXURIN-DZGCQCFKSA-N 2 0 294.443 1.406 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000133379435 377919344 /nfs/dbraw/zinc/91/93/44/377919344.db2.gz YGKOTHHDDVPHLA-HNNXBMFYSA-N 2 0 281.444 1.729 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]([NH3+])CC)CC1 ZINC000417545568 377932324 /nfs/dbraw/zinc/93/23/24/377932324.db2.gz XREIGLFZIGZJKF-LBPRGKRZSA-N 2 0 268.405 1.063 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)C(C)C ZINC000645416761 378360498 /nfs/dbraw/zinc/36/04/98/378360498.db2.gz XNQJTGVPDHUROK-LSDHHAIUSA-N 2 0 293.455 1.799 20 30 CDEDRP CCN(CCC#N)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350953037 391013834 /nfs/dbraw/zinc/01/38/34/391013834.db2.gz UTJDUUJMDPDSMR-UHFFFAOYSA-N 2 0 280.416 1.022 20 30 CDEDRP C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975798 391371615 /nfs/dbraw/zinc/37/16/15/391371615.db2.gz GBGDNSINEVTCBF-KGLIPLIRSA-N 2 0 265.401 1.000 20 30 CDEDRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000330450670 391434726 /nfs/dbraw/zinc/43/47/26/391434726.db2.gz JEKMRGHUDUPRPO-CWRNSKLLSA-N 2 0 279.428 1.703 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334363773 392109493 /nfs/dbraw/zinc/10/94/93/392109493.db2.gz LWBFPSINAKAPPS-LSDHHAIUSA-N 2 0 251.418 1.520 20 30 CDEDRP C=CCC1([NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCCC1 ZINC000656792492 413673171 /nfs/dbraw/zinc/67/31/71/413673171.db2.gz RLPBIQVBEXOBEA-AWEZNQCLSA-N 2 0 279.428 1.662 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000490657501 261179916 /nfs/dbraw/zinc/17/99/16/261179916.db2.gz WHPLZYAJNWWCMJ-UHFFFAOYSA-N 2 0 289.423 1.028 20 30 CDEDRP C=C(C)C[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160670803 262295192 /nfs/dbraw/zinc/29/51/92/262295192.db2.gz LWYPCTXQKOTBER-INIZCTEOSA-N 2 0 289.423 1.913 20 30 CDEDRP C=CC[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000661384374 424292363 /nfs/dbraw/zinc/29/23/63/424292363.db2.gz INKLJSFKTBJPLQ-HUUCEWRRSA-N 2 0 254.418 1.976 20 30 CDEDRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000423179595 289955073 /nfs/dbraw/zinc/95/50/73/289955073.db2.gz MQVIQHPOMWIUDD-AWEZNQCLSA-N 2 0 272.396 1.504 20 30 CDEDRP C[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)C[NH+](C)C ZINC000291927538 328267351 /nfs/dbraw/zinc/26/73/51/328267351.db2.gz NZZVSZZKNBPFIV-VIFPVBQESA-N 2 0 270.327 1.889 20 30 CDEDRP CC1CC[NH+](C[C@@H](O)C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000304357173 328993571 /nfs/dbraw/zinc/99/35/71/328993571.db2.gz WVFDVJSMNIOFAO-HNNXBMFYSA-N 2 0 281.444 1.999 20 30 CDEDRP CC1CC[NH+](CC(=O)N(CCC#N)CCC[NH+](C)C)CC1 ZINC000134958550 329661895 /nfs/dbraw/zinc/66/18/95/329661895.db2.gz WDSNNRMSABTFSC-UHFFFAOYSA-N 2 0 294.443 1.412 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261724728 329979835 /nfs/dbraw/zinc/97/98/35/329979835.db2.gz KJPLEOMJUGFZBV-GXTWGEPZSA-N 2 0 265.401 1.271 20 30 CDEDRP C[NH+]=C(NCC1(C)CC1)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000262425493 330009772 /nfs/dbraw/zinc/00/97/72/330009772.db2.gz RNMSWXOGFLOHAY-NWDGAFQWSA-N 2 0 264.417 1.577 20 30 CDEDRP CC[NH+]=C(NCC1(C)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262465669 330015056 /nfs/dbraw/zinc/01/50/56/330015056.db2.gz YEIJKEKFSZNQNW-CQSZACIVSA-N 2 0 276.428 1.698 20 30 CDEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000262562745 330021215 /nfs/dbraw/zinc/02/12/15/330021215.db2.gz WVEMVZLJFSGIKI-GXTWGEPZSA-N 2 0 288.395 1.366 20 30 CDEDRP C[C@@H]1CCCN(C(=[NH2+])NCC[N@@H+]2CCCC2(C)C)C1 ZINC000263055082 330041019 /nfs/dbraw/zinc/04/10/19/330041019.db2.gz DVLXGXZDSYMKMJ-CYBMUJFWSA-N 2 0 266.433 1.907 20 30 CDEDRP C=CC[C@H](C)[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422977811 330162177 /nfs/dbraw/zinc/16/21/77/330162177.db2.gz GHBMKIROKRRVHU-STQMWFEESA-N 2 0 268.401 1.862 20 30 CDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423014150 330165460 /nfs/dbraw/zinc/16/54/60/330165460.db2.gz HLQNLDMMVKIAAJ-BYNSBNAKSA-N 2 0 252.402 1.681 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000424126811 330259261 /nfs/dbraw/zinc/25/92/61/330259261.db2.gz BYVADWPYDAIOLV-ZIAGYGMSSA-N 2 0 278.400 1.094 20 30 CDEDRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424209769 330328150 /nfs/dbraw/zinc/32/81/50/330328150.db2.gz ZQEHLULWJGXQRA-GJZGRUSLSA-N 2 0 288.395 1.386 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC(C)(C)C[NH+]2CCCC2)CC1 ZINC000491794141 332354171 /nfs/dbraw/zinc/35/41/71/332354171.db2.gz OMGYLJMINISSCN-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP C[NH+](C)[C@]1(CNC[C@@H](C#N)CCC#N)CCSC1 ZINC000581603039 336110131 /nfs/dbraw/zinc/11/01/31/336110131.db2.gz HOTSWWQVYFRBDR-OLZOCXBDSA-N 2 0 266.414 1.457 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001755025208 1159504812 /nfs/dbraw/zinc/50/48/12/1159504812.db2.gz QESULWXAXSCAHO-CABCVRRESA-N 2 0 297.418 1.270 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)CC(C)(C)[NH3+])C(C)C ZINC000236678767 482599561 /nfs/dbraw/zinc/59/95/61/482599561.db2.gz XZMFPQBTVLTPLG-CQSZACIVSA-N 2 0 281.444 1.929 20 30 CDEDRP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](CC(C)C)C2)CC1 ZINC000748824802 576928245 /nfs/dbraw/zinc/92/82/45/576928245.db2.gz OLNBFBLQRXFRFG-INIZCTEOSA-N 2 0 291.439 1.132 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000968916005 612961149 /nfs/dbraw/zinc/96/11/49/612961149.db2.gz VXWZQALGCSCOFV-HUUCEWRRSA-N 2 0 277.412 1.073 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000939806254 612970281 /nfs/dbraw/zinc/97/02/81/612970281.db2.gz FASOOOUVWKHKIE-RHSMWYFYSA-N 2 0 299.418 1.432 20 30 CDEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000970928799 612996617 /nfs/dbraw/zinc/99/66/17/612996617.db2.gz MGPSNLGJLYEFMH-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000972007416 613091410 /nfs/dbraw/zinc/09/14/10/613091410.db2.gz ABXSZJOOFXMLQK-JKSUJKDBSA-N 2 0 289.423 1.027 20 30 CDEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000971526275 613284696 /nfs/dbraw/zinc/28/46/96/613284696.db2.gz WLKQBXFRUNKSNT-CVEARBPZSA-N 2 0 293.455 1.968 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000960174655 613344769 /nfs/dbraw/zinc/34/47/69/613344769.db2.gz KNHNEUXLNQZSMX-XUWVNRHRSA-N 2 0 291.439 1.483 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000962756261 613344867 /nfs/dbraw/zinc/34/48/67/613344867.db2.gz QWGMDMFNCFDSSJ-XUWVNRHRSA-N 2 0 291.439 1.483 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000968912219 613385323 /nfs/dbraw/zinc/38/53/23/613385323.db2.gz CQDGPMRXACQGHS-OLZOCXBDSA-N 2 0 285.819 1.270 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)CC(C)(C)C[NH+](C)C)CC1 ZINC000890884126 617345416 /nfs/dbraw/zinc/34/54/16/617345416.db2.gz XAIABRYURLTNKA-UHFFFAOYSA-N 2 0 293.455 1.378 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC000947498703 613741269 /nfs/dbraw/zinc/74/12/69/613741269.db2.gz XUSJNEVQZYUPEH-LSDHHAIUSA-N 2 0 291.439 1.770 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000969674169 613865312 /nfs/dbraw/zinc/86/53/12/613865312.db2.gz GFMCLEHGVHOKAZ-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000891522661 617459320 /nfs/dbraw/zinc/45/93/20/617459320.db2.gz TUAWGWMJRFHIAE-GDBMZVCRSA-N 2 0 292.427 1.221 20 30 CDEDRP C[NH+]1CCN(c2ccc(C[NH2+]CCCC#N)cc2)CC1 ZINC000784620832 618002624 /nfs/dbraw/zinc/00/26/24/618002624.db2.gz ASEKHOFKTPPXTN-UHFFFAOYSA-N 2 0 272.396 1.832 20 30 CDEDRP C#CC[C@H](CCOC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000895672766 619798155 /nfs/dbraw/zinc/79/81/55/619798155.db2.gz XFFZZMJOWBZBNU-FFHGMXDLSA-N 2 0 250.386 1.630 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911880106 629606365 /nfs/dbraw/zinc/60/63/65/629606365.db2.gz RDIKGXJINNUIEL-LSDHHAIUSA-N 2 0 298.475 1.166 20 30 CDEDRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001129436531 1162474932 /nfs/dbraw/zinc/47/49/32/1162474932.db2.gz QNRKVVKNSRIRDK-QGZVFWFLSA-N 2 0 299.418 1.084 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130171257 1162564628 /nfs/dbraw/zinc/56/46/28/1162564628.db2.gz LJICAFQGWVZJDJ-HNNXBMFYSA-N 2 0 293.455 1.923 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001753808160 1159913076 /nfs/dbraw/zinc/91/30/76/1159913076.db2.gz BMDYEAWRWDEDMP-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001113536229 1162208811 /nfs/dbraw/zinc/20/88/11/1162208811.db2.gz JPRAEXNPMWSRCP-HNNXBMFYSA-N 2 0 279.428 1.439 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001113543779 1162211529 /nfs/dbraw/zinc/21/15/29/1162211529.db2.gz DFMBQQMLQMVNLT-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001113572598 1162225632 /nfs/dbraw/zinc/22/56/32/1162225632.db2.gz AMGAGSXSPZFXHJ-HNNXBMFYSA-N 2 0 281.444 1.827 20 30 CDEDRP C=CC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132265803 1163218910 /nfs/dbraw/zinc/21/89/10/1163218910.db2.gz SZTVWRASALJEGI-ZIAGYGMSSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132849037 1163493400 /nfs/dbraw/zinc/49/34/00/1163493400.db2.gz ZLJRSBRWRBHOFF-GJZGRUSLSA-N 2 0 297.443 1.156 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132888921 1163501926 /nfs/dbraw/zinc/50/19/26/1163501926.db2.gz SUPDNDDQNOZXIO-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133090102 1163567417 /nfs/dbraw/zinc/56/74/17/1163567417.db2.gz BOKWIARXCJYXAY-LSDHHAIUSA-N 2 0 279.428 1.036 20 30 CDEDRP C#CCC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001566665257 1168377651 /nfs/dbraw/zinc/37/76/51/1168377651.db2.gz PAPYHEACGXEIRV-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP CN(C)c1ccc(C#N)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC001573865621 1170811549 /nfs/dbraw/zinc/81/15/49/1170811549.db2.gz OPFDZQKZMPFFBF-UHFFFAOYSA-N 2 0 272.396 1.795 20 30 CDEDRP C=CC[NH+]1CCC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001602862034 1175438509 /nfs/dbraw/zinc/43/85/09/1175438509.db2.gz ACJUEDGCWGEBKZ-UHFFFAOYSA-N 2 0 299.382 1.054 20 30 CDEDRP C=CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001752126811 1184821529 /nfs/dbraw/zinc/82/15/29/1184821529.db2.gz WGLUDZYMFCVUSG-AWEZNQCLSA-N 2 0 267.417 1.485 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001752797598 1184916137 /nfs/dbraw/zinc/91/61/37/1184916137.db2.gz JRJJCUBYXLZFHZ-CVEARBPZSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001752815286 1184921062 /nfs/dbraw/zinc/92/10/62/1184921062.db2.gz PDDHQRMEMJORPD-HNNXBMFYSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CC[NH2+]C1CCC(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001752850320 1184934226 /nfs/dbraw/zinc/93/42/26/1184934226.db2.gz CASJCKHMPIXZCC-UHFFFAOYSA-N 2 0 279.428 1.674 20 30 CDEDRP C=CCC[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001753139133 1185080848 /nfs/dbraw/zinc/08/08/48/1185080848.db2.gz USBPSTLDRDJPIU-CQSZACIVSA-N 2 0 267.417 1.342 20 30 CDEDRP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001753462438 1185220566 /nfs/dbraw/zinc/22/05/66/1185220566.db2.gz WFGKNLHUYQAUDU-HZPDHXFCSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001753576018 1185257331 /nfs/dbraw/zinc/25/73/31/1185257331.db2.gz YYOVAXUVKNSXTK-MRXNPFEDSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001753713129 1185313296 /nfs/dbraw/zinc/31/32/96/1185313296.db2.gz YVHCYXISSTVWAN-CZUORRHYSA-N 2 0 297.418 1.269 20 30 CDEDRP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001754325157 1185577794 /nfs/dbraw/zinc/57/77/94/1185577794.db2.gz JSKCSJPLGCUANR-UONOGXRCSA-N 2 0 267.417 1.177 20 30 CDEDRP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001754515500 1185653731 /nfs/dbraw/zinc/65/37/31/1185653731.db2.gz SLKKPZIPXAXLQG-CHWSQXEVSA-N 2 0 265.401 1.141 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001754846598 1185746000 /nfs/dbraw/zinc/74/60/00/1185746000.db2.gz MZAYEESRUWROTQ-GASCZTMLSA-N 2 0 279.428 1.295 20 30 CDEDRP C#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001755319593 1185913906 /nfs/dbraw/zinc/91/39/06/1185913906.db2.gz JQEGSNQNMIIPTO-HUUCEWRRSA-N 2 0 279.428 1.319 20 30 CDEDRP C=CC[NH2+][C@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001755342681 1185924080 /nfs/dbraw/zinc/92/40/80/1185924080.db2.gz IPRCHMPZJSYJTD-OAHLLOKOSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001755392354 1185939537 /nfs/dbraw/zinc/93/95/37/1185939537.db2.gz UOVCYKZGZDZIQY-KGLIPLIRSA-N 2 0 279.428 1.341 20 30 CDEDRP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001755603493 1186008076 /nfs/dbraw/zinc/00/80/76/1186008076.db2.gz CFSNDPOFOOANOG-UONOGXRCSA-N 2 0 267.417 1.177 20 30 CDEDRP C[NH+]=C(NCCC1CC[NH+](C)CC1)NC[C@H]1CCCS1 ZINC000261957141 745047447 /nfs/dbraw/zinc/04/74/47/745047447.db2.gz JCEYNUYZLOIJRG-CQSZACIVSA-N 2 0 298.500 1.779 20 30 CDEDRP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000998188814 742865628 /nfs/dbraw/zinc/86/56/28/742865628.db2.gz KNKFRTSLCQOKFH-CVEARBPZSA-N 2 0 291.439 1.274 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001052393014 742927679 /nfs/dbraw/zinc/92/76/79/742927679.db2.gz CZNRJRXIEZAKBF-OWCLPIDISA-N 2 0 291.439 1.321 20 30 CDEDRP CCOCCCNC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000303885512 743015553 /nfs/dbraw/zinc/01/55/53/743015553.db2.gz NFWLJVDCOSXNCU-CQSZACIVSA-N 2 0 298.475 1.828 20 30 CDEDRP CC(C)NC(=[NH2+])NC[C@H](C)N1CCc2sccc2C1 ZINC000261973168 743080324 /nfs/dbraw/zinc/08/03/24/743080324.db2.gz DZPMVMXOCDZVMO-NSHDSACASA-N 2 0 280.441 1.807 20 30 CDEDRP CCCCCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000303885642 743118348 /nfs/dbraw/zinc/11/83/48/743118348.db2.gz JWLIGDKNRSEZND-CYBMUJFWSA-N 2 0 266.433 1.955 20 30 CDEDRP C=CC[NH+](C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000985646242 743262432 /nfs/dbraw/zinc/26/24/32/743262432.db2.gz JETGYXNNLZQMES-AWEZNQCLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001023403737 743314556 /nfs/dbraw/zinc/31/45/56/743314556.db2.gz NNTZHABZOHHTQW-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000996663514 743368642 /nfs/dbraw/zinc/36/86/42/743368642.db2.gz GWURFTNDDCCOQI-OAHLLOKOSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[C@H]([NH2+]C[C@@H]1CCCN1CCCO)[C@H]1CCCO1 ZINC000883225523 743375463 /nfs/dbraw/zinc/37/54/63/743375463.db2.gz IWENJVKBPYXQOM-YESZJQIVSA-N 2 0 296.455 1.937 20 30 CDEDRP Cc1cc(C[NH3+])cc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1 ZINC000884370169 743631810 /nfs/dbraw/zinc/63/18/10/743631810.db2.gz AZQVCZMNQZVQFZ-UUCFBXCCSA-N 2 0 298.390 1.532 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC001044826409 745030169 /nfs/dbraw/zinc/03/01/69/745030169.db2.gz ZMRHJVSTBOBARE-KBPBESRZSA-N 2 0 277.412 1.237 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001032460524 745040910 /nfs/dbraw/zinc/04/09/10/745040910.db2.gz PQOVHIVRXUHALF-JYJNAYRXSA-N 2 0 293.455 1.824 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007348047 745050206 /nfs/dbraw/zinc/05/02/06/745050206.db2.gz YNLPUNUMWXNPGF-GJZGRUSLSA-N 2 0 277.412 1.095 20 30 CDEDRP CC#CCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001038621778 745080481 /nfs/dbraw/zinc/08/04/81/745080481.db2.gz GTKWYZAFGVISIA-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000999491572 745082569 /nfs/dbraw/zinc/08/25/69/745082569.db2.gz VZTNAIJPGQCMLE-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP C[NH+]=C(NCCC[NH+]1CCCC1)NCc1ccco1 ZINC000848982655 745329669 /nfs/dbraw/zinc/32/96/69/745329669.db2.gz QWZCETCIOSYEKY-UHFFFAOYSA-N 2 0 264.373 1.431 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000999307206 745333843 /nfs/dbraw/zinc/33/38/43/745333843.db2.gz MVOXDLLOFZIPRK-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001050663403 745380431 /nfs/dbraw/zinc/38/04/31/745380431.db2.gz TWLPJZWMGMPNNM-OAHLLOKOSA-N 2 0 291.439 1.439 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001033127599 745572221 /nfs/dbraw/zinc/57/22/21/745572221.db2.gz WIPYQAOJJHUVRS-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000989561920 745735083 /nfs/dbraw/zinc/73/50/83/745735083.db2.gz KXYJPSOMFRQQSI-PBHICJAKSA-N 2 0 299.418 1.574 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000986480951 745746643 /nfs/dbraw/zinc/74/66/43/745746643.db2.gz JRNKTFYECUMQES-SWLSCSKDSA-N 2 0 284.363 1.713 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001027919132 745778219 /nfs/dbraw/zinc/77/82/19/745778219.db2.gz STKZFSFJKMOQON-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C[NH+](C)Cc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1F ZINC000844188357 745779100 /nfs/dbraw/zinc/77/91/00/745779100.db2.gz REXWTLWOMYDISS-CQSZACIVSA-N 2 0 292.358 1.847 20 30 CDEDRP C[C@@H](C#N)OCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000801941440 745859781 /nfs/dbraw/zinc/85/97/81/745859781.db2.gz ZUKOQNLWVXGWEO-AWEZNQCLSA-N 2 0 267.417 1.969 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001002955328 745889342 /nfs/dbraw/zinc/88/93/42/745889342.db2.gz KPWRSIGUTCIPFO-MRXNPFEDSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001143374 745895448 /nfs/dbraw/zinc/89/54/48/745895448.db2.gz GNARXALMYJSOOJ-ZFWWWQNUSA-N 2 0 277.412 1.118 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001001008221 745960396 /nfs/dbraw/zinc/96/03/96/745960396.db2.gz MRGDYOHWCKOFLP-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001049526157 745961416 /nfs/dbraw/zinc/96/14/16/745961416.db2.gz TXQDCXCHTWZLAF-OAGGEKHMSA-N 2 0 289.423 1.025 20 30 CDEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NC[C@H]2CCC[NH+]2CC)C1 ZINC000303873646 745984492 /nfs/dbraw/zinc/98/44/92/745984492.db2.gz GVEWPMRVVFLQNX-LSDHHAIUSA-N 3 0 295.475 1.107 20 30 CDEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001043882438 746060060 /nfs/dbraw/zinc/06/00/60/746060060.db2.gz QUWLSOCKOZLMGG-HIFRSBDPSA-N 2 0 279.428 1.293 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001020348059 746086760 /nfs/dbraw/zinc/08/67/60/746086760.db2.gz LZMINBOMTJGTBQ-HDJSIYSDSA-N 2 0 277.412 1.428 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001052386315 746202030 /nfs/dbraw/zinc/20/20/30/746202030.db2.gz MZJIYYXXXRCFLF-HOTGVXAUSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997184266 746220378 /nfs/dbraw/zinc/22/03/78/746220378.db2.gz NUMZVDBLMXNRGR-CYBMUJFWSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@H]21 ZINC001036737888 746313553 /nfs/dbraw/zinc/31/35/53/746313553.db2.gz XLOQURFDXVWHRY-GOEBONIOSA-N 2 0 289.423 1.027 20 30 CDEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052931778 746386095 /nfs/dbraw/zinc/38/60/95/746386095.db2.gz CIPYEYCZQFIBJF-ZIAGYGMSSA-N 2 0 299.846 1.661 20 30 CDEDRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886171431 746579639 /nfs/dbraw/zinc/57/96/39/746579639.db2.gz HCBSDGNTDYXMSH-CABCVRRESA-N 2 0 279.428 1.847 20 30 CDEDRP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001028759651 746585037 /nfs/dbraw/zinc/58/50/37/746585037.db2.gz ZJWNEYMVOUFUAL-CVEARBPZSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001041678186 746664512 /nfs/dbraw/zinc/66/45/12/746664512.db2.gz HCLZMBPNVLWILU-DOTOQJQBSA-N 2 0 291.439 1.439 20 30 CDEDRP C#CC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034455819 746724309 /nfs/dbraw/zinc/72/43/09/746724309.db2.gz UZXPLTKVQDIWNL-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001033774424 746768820 /nfs/dbraw/zinc/76/88/20/746768820.db2.gz JJAUDZDFFARWCM-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033838865 746788956 /nfs/dbraw/zinc/78/89/56/746788956.db2.gz PCWFXSRXEQULFI-HRCADAONSA-N 2 0 291.439 1.273 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000985794337 746802896 /nfs/dbraw/zinc/80/28/96/746802896.db2.gz XLXSIJUVVIYSRL-UHFFFAOYSA-N 2 0 265.401 1.191 20 30 CDEDRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=[NH2+])N(C)C)C1 ZINC000170910346 746804385 /nfs/dbraw/zinc/80/43/85/746804385.db2.gz CPPVOKILHOHHIZ-TXEJJXNPSA-N 2 0 254.422 1.619 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001054969187 746835022 /nfs/dbraw/zinc/83/50/22/746835022.db2.gz OXURSNULUPHPHO-KBPBESRZSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCOCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000851857769 746850610 /nfs/dbraw/zinc/85/06/10/746850610.db2.gz YWKYMNBENKUZEK-UHFFFAOYSA-N 2 0 293.455 1.127 20 30 CDEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997419961 746869074 /nfs/dbraw/zinc/86/90/74/746869074.db2.gz FLXUTBFQAILNTR-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008760604 746870169 /nfs/dbraw/zinc/87/01/69/746870169.db2.gz KQHXBJQSMDEUQJ-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034490354 746887183 /nfs/dbraw/zinc/88/71/83/746887183.db2.gz KXHNYZVBUQXGCS-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C[NH+]1CCN(C2CC[NH+](CC3(CC#N)CC3)CC2)CC1 ZINC000879594785 746896567 /nfs/dbraw/zinc/89/65/67/746896567.db2.gz QXEMKGAPISZNQL-UHFFFAOYSA-N 2 0 276.428 1.392 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cncc(C)c1 ZINC000130968514 746954589 /nfs/dbraw/zinc/95/45/89/746954589.db2.gz RRFVMIZWDVULPU-CQSZACIVSA-N 2 0 275.400 1.279 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NC[C@@]1(C)CCCO1 ZINC000261730889 746973739 /nfs/dbraw/zinc/97/37/39/746973739.db2.gz JMKIDKQTMSGPQI-DZGCQCFKSA-N 2 0 282.432 1.062 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000987291373 746999464 /nfs/dbraw/zinc/99/94/64/746999464.db2.gz ITJFOGBCAUZWIE-ZBFHGGJFSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[N@H+]1CCC2(CN(C(=O)C[C@H](C)n3ccnc3)C2)C1 ZINC001073021881 747006407 /nfs/dbraw/zinc/00/64/07/747006407.db2.gz RJKUJBBFTLCXHL-AWEZNQCLSA-N 2 0 288.395 1.555 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC)CC1 ZINC000997624711 747026393 /nfs/dbraw/zinc/02/63/93/747026393.db2.gz YEWIHHMISDQCLI-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992478488 747120365 /nfs/dbraw/zinc/12/03/65/747120365.db2.gz PQMLCWRNUFMSCJ-OFQRWUPVSA-N 2 0 277.412 1.237 20 30 CDEDRP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001054099966 747249460 /nfs/dbraw/zinc/24/94/60/747249460.db2.gz SPKFBEXQORXORX-NVXWUHKLSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049552734 747363556 /nfs/dbraw/zinc/36/35/56/747363556.db2.gz VRVJEPJPMYDKNI-RBSFLKMASA-N 2 0 277.412 1.025 20 30 CDEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000998780338 747461395 /nfs/dbraw/zinc/46/13/95/747461395.db2.gz NQMKDNMIZJREJT-GPANFISMSA-N 2 0 291.439 1.483 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CCCN3C)CCC[C@@H]12 ZINC000992113000 747595924 /nfs/dbraw/zinc/59/59/24/747595924.db2.gz PMFBBERDPSWRLO-INMHGKMJSA-N 2 0 289.423 1.217 20 30 CDEDRP C[C@H](C[NH+]=C(N(C)C)N(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000262021937 747802890 /nfs/dbraw/zinc/80/28/90/747802890.db2.gz YBRQACBALKFOJD-QWHCGFSZSA-N 2 0 254.422 1.729 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001019230074 747803791 /nfs/dbraw/zinc/80/37/91/747803791.db2.gz OYSQOUPMTPJGEU-ZDUSSCGKSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001052386313 748044134 /nfs/dbraw/zinc/04/41/34/748044134.db2.gz MZJIYYXXXRCFLF-CVEARBPZSA-N 2 0 291.439 1.485 20 30 CDEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCC[C@H](C)C2)C1 ZINC000303895406 748089091 /nfs/dbraw/zinc/08/90/91/748089091.db2.gz PLIFBNWPGGJMNB-STQMWFEESA-N 2 0 252.406 1.375 20 30 CDEDRP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001054152146 748146029 /nfs/dbraw/zinc/14/60/29/748146029.db2.gz AOQIUHBTFJHTGB-WBVHZDCISA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001022715423 748239710 /nfs/dbraw/zinc/23/97/10/748239710.db2.gz IJOGLBZXODVPCQ-RTXFEEFZSA-N 2 0 285.819 1.318 20 30 CDEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000303774515 748308850 /nfs/dbraw/zinc/30/88/50/748308850.db2.gz FYZJSQDXCUGIMX-AWEZNQCLSA-N 2 0 282.432 1.048 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001000381312 748397092 /nfs/dbraw/zinc/39/70/92/748397092.db2.gz YEHOVHINEFNABS-HZPDHXFCSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]12 ZINC001026422072 748419107 /nfs/dbraw/zinc/41/91/07/748419107.db2.gz ZILSNNGVCXHARE-QLFBSQMISA-N 2 0 277.412 1.095 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000989738380 748462769 /nfs/dbraw/zinc/46/27/69/748462769.db2.gz AEFADWQCVRGZLH-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001050074523 748471240 /nfs/dbraw/zinc/47/12/40/748471240.db2.gz KSCWSVUSQUWRCH-ARFHVFGLSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001031765614 748502100 /nfs/dbraw/zinc/50/21/00/748502100.db2.gz JBSPZTBWAJSMFA-JKSUJKDBSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015648897 748613809 /nfs/dbraw/zinc/61/38/09/748613809.db2.gz MQHMNKNMBVQMAP-CQSZACIVSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076567651 748675732 /nfs/dbraw/zinc/67/57/32/748675732.db2.gz DDVSVSSGLXJZDY-SOUVJXGZSA-N 2 0 277.412 1.047 20 30 CDEDRP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C ZINC000886599521 748734960 /nfs/dbraw/zinc/73/49/60/748734960.db2.gz AKMGVVNDLOEDII-OAHLLOKOSA-N 2 0 281.444 1.683 20 30 CDEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001005998158 748807013 /nfs/dbraw/zinc/80/70/13/748807013.db2.gz RIGASFVSSQNTPD-GOEBONIOSA-N 2 0 293.455 1.683 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998718066 748910995 /nfs/dbraw/zinc/91/09/95/748910995.db2.gz AWQMUEPZOZKUJN-CHWSQXEVSA-N 2 0 285.819 1.414 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001038441075 748998537 /nfs/dbraw/zinc/99/85/37/748998537.db2.gz DYVMRSHVJMRPJB-CQSZACIVSA-N 2 0 296.374 1.470 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001020297274 749061878 /nfs/dbraw/zinc/06/18/78/749061878.db2.gz FHBJEBYPEVJUID-IHRRRGAJSA-N 2 0 265.401 1.284 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033386161 749233362 /nfs/dbraw/zinc/23/33/62/749233362.db2.gz AQZQKSATYGEOJV-AWEZNQCLSA-N 2 0 265.401 1.047 20 30 CDEDRP COc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1C#N ZINC000848719374 749326412 /nfs/dbraw/zinc/32/64/12/749326412.db2.gz CNSLWBDOZSRARH-KGLIPLIRSA-N 2 0 259.353 1.926 20 30 CDEDRP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001566879711 1168455794 /nfs/dbraw/zinc/45/57/94/1168455794.db2.gz RZVLICKZFDTROR-LSDHHAIUSA-N 2 0 279.428 1.178 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001483793825 915071628 /nfs/dbraw/zinc/07/16/28/915071628.db2.gz AUEFVCZVNXMJKZ-UHFFFAOYSA-N 2 0 299.846 1.853 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127254219 913151721 /nfs/dbraw/zinc/15/17/21/913151721.db2.gz DDADTYPLPJDVEL-GJZGRUSLSA-N 2 0 279.428 1.533 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC001122026866 913358047 /nfs/dbraw/zinc/35/80/47/913358047.db2.gz GVROBPWCIYPCLP-LSDHHAIUSA-N 2 0 297.443 1.239 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001175107242 913447911 /nfs/dbraw/zinc/44/79/11/913447911.db2.gz MBMMKGWWPTUVSW-LSDHHAIUSA-N 2 0 281.444 1.470 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175271760 913522987 /nfs/dbraw/zinc/52/29/87/913522987.db2.gz CTRJFEPQJSPEFD-HNNXBMFYSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001106313289 913852434 /nfs/dbraw/zinc/85/24/34/913852434.db2.gz VTBFYGRLKPQSIE-RBSFLKMASA-N 2 0 281.444 1.587 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)C[C@H]1C ZINC001215972884 896060550 /nfs/dbraw/zinc/06/05/50/896060550.db2.gz BNDLTOKJRZZJSX-HZPDHXFCSA-N 2 0 293.455 1.568 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167655578 897216153 /nfs/dbraw/zinc/21/61/53/897216153.db2.gz VARYCMUULJHRRW-UHFFFAOYSA-N 2 0 281.444 1.780 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC)CC1 ZINC001176737836 914235779 /nfs/dbraw/zinc/23/57/79/914235779.db2.gz NMMQMYZPRBBNEI-OAHLLOKOSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176972262 914410468 /nfs/dbraw/zinc/41/04/68/914410468.db2.gz SWZZGJJDAKBKQJ-CQSZACIVSA-N 2 0 269.433 1.777 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177332229 914607167 /nfs/dbraw/zinc/60/71/67/914607167.db2.gz NPKLSUATOPNTNJ-UHFFFAOYSA-N 2 0 281.444 1.925 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1CC ZINC001087726875 905792434 /nfs/dbraw/zinc/79/24/34/905792434.db2.gz VYFPHLPJHVGYEB-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1CC ZINC001087726876 905792736 /nfs/dbraw/zinc/79/27/36/905792736.db2.gz VYFPHLPJHVGYEB-SOUVJXGZSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001088382295 907068797 /nfs/dbraw/zinc/06/87/97/907068797.db2.gz YPMPPLDDUAISCO-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110147367 909988941 /nfs/dbraw/zinc/98/89/41/909988941.db2.gz YOYUCJYTJYEWMV-PMPSAXMXSA-N 2 0 291.439 1.770 20 30 CDEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001171501993 910804091 /nfs/dbraw/zinc/80/40/91/910804091.db2.gz ZNAQASKTZVSQRB-UONOGXRCSA-N 2 0 269.433 1.777 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)CC[N@@H+](C)CCC ZINC001171725197 910899160 /nfs/dbraw/zinc/89/91/60/910899160.db2.gz HWLVZJPTXSGBEQ-UHFFFAOYSA-N 2 0 275.824 1.567 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC001088860298 911992957 /nfs/dbraw/zinc/99/29/57/911992957.db2.gz FKFLVCVSLMSZSK-CABCVRRESA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001178736081 915611758 /nfs/dbraw/zinc/61/17/58/915611758.db2.gz NDXUTHQHKSKEHM-YHUYYLMFSA-N 2 0 291.439 1.319 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001179655914 915915356 /nfs/dbraw/zinc/91/53/56/915915356.db2.gz BYEABMMQLPCAQO-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001097854202 936395982 /nfs/dbraw/zinc/39/59/82/936395982.db2.gz WIRPJXLXWVZMKK-FPCVCCKLSA-N 2 0 291.439 1.626 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001097859909 936396688 /nfs/dbraw/zinc/39/66/88/936396688.db2.gz CELCHMNUEAANSX-KFWWJZLASA-N 2 0 291.439 1.626 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183267882 918420236 /nfs/dbraw/zinc/42/02/36/918420236.db2.gz PQHXQLAKXVHFAZ-CABCVRRESA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001183765239 918660755 /nfs/dbraw/zinc/66/07/55/918660755.db2.gz QYBVNIQKXUIDIC-CQSZACIVSA-N 2 0 281.444 1.873 20 30 CDEDRP Cc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1C#N ZINC001205230534 919234923 /nfs/dbraw/zinc/23/49/23/919234923.db2.gz SLEXSLFVSBHSBN-INIZCTEOSA-N 2 0 273.380 1.542 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185084109 919417570 /nfs/dbraw/zinc/41/75/70/919417570.db2.gz JKOCDHBUPFCVGB-HOTGVXAUSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187090511 920360626 /nfs/dbraw/zinc/36/06/26/920360626.db2.gz AHIWIXBUVVHIQH-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001203004589 936680596 /nfs/dbraw/zinc/68/05/96/936680596.db2.gz CAFYXHVMZWAWKR-UHFFFAOYSA-N 2 0 287.835 1.661 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001188139912 920857142 /nfs/dbraw/zinc/85/71/42/920857142.db2.gz VDSCTKMSZDGPGE-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001190675064 922132388 /nfs/dbraw/zinc/13/23/88/922132388.db2.gz GZYPYPLQCKLETI-MRXNPFEDSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001192188990 922939098 /nfs/dbraw/zinc/93/90/98/922939098.db2.gz AEJBVXANUJCVKQ-HUUCEWRRSA-N 2 0 279.428 1.129 20 30 CDEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193279670 923585161 /nfs/dbraw/zinc/58/51/61/923585161.db2.gz QFKLLOIDPIWOCC-CQSZACIVSA-N 2 0 267.417 1.437 20 30 CDEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001005998160 923669814 /nfs/dbraw/zinc/66/98/14/923669814.db2.gz RIGASFVSSQNTPD-ZBFHGGJFSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193462075 923698791 /nfs/dbraw/zinc/69/87/91/923698791.db2.gz KMYPNZUCBSKWOM-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001080254256 924521940 /nfs/dbraw/zinc/52/19/40/924521940.db2.gz OLLBHFXPWBMHTR-ZIAGYGMSSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001080935584 924659786 /nfs/dbraw/zinc/65/97/86/924659786.db2.gz ZZWWIFRCKVBIJQ-QLFBSQMISA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)C[N@H+]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001196011073 924784068 /nfs/dbraw/zinc/78/40/68/924784068.db2.gz XIINNIDEDPGTEP-OAHLLOKOSA-N 2 0 299.434 1.777 20 30 CDEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197044752 925033855 /nfs/dbraw/zinc/03/38/55/925033855.db2.gz WEHCOYHNSXBQQC-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP C#CCN1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198350982 925410638 /nfs/dbraw/zinc/41/06/38/925410638.db2.gz KAGQANOYSLYEAT-UHFFFAOYSA-N 2 0 291.439 1.420 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152471274 925464783 /nfs/dbraw/zinc/46/47/83/925464783.db2.gz KAVIJDYEQOXQQG-CQSZACIVSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)[C@H](C)C1 ZINC001102103229 937042118 /nfs/dbraw/zinc/04/21/18/937042118.db2.gz JZSNGPUBLGKYOE-ZIAGYGMSSA-N 2 0 279.428 1.034 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCCO1 ZINC001201412357 926289450 /nfs/dbraw/zinc/28/94/50/926289450.db2.gz ZMEURLJAMYSBFH-GJZGRUSLSA-N 2 0 297.443 1.110 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085723622 926332852 /nfs/dbraw/zinc/33/28/52/926332852.db2.gz AGKDPNHJUXVLTE-MRXNPFEDSA-N 2 0 296.374 1.504 20 30 CDEDRP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001103435267 937141603 /nfs/dbraw/zinc/14/16/03/937141603.db2.gz YRYAHEGYEFNRDK-BZUAXINKSA-N 2 0 293.455 1.588 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001490577136 927239435 /nfs/dbraw/zinc/23/94/35/927239435.db2.gz SUDUIVHUMFISKC-MRXNPFEDSA-N 2 0 291.439 1.466 20 30 CDEDRP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001111778325 937230871 /nfs/dbraw/zinc/23/08/71/937230871.db2.gz UUUZUXZHARPSHK-YOEHRIQHSA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001150547878 937237038 /nfs/dbraw/zinc/23/70/38/937237038.db2.gz ZCQAKTUWVCWSNC-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001252486846 928660812 /nfs/dbraw/zinc/66/08/12/928660812.db2.gz JBSIBAMJFCPVLU-GJZGRUSLSA-N 2 0 272.433 1.650 20 30 CDEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001112425298 937308351 /nfs/dbraw/zinc/30/83/51/937308351.db2.gz GYJOWOAUURVULY-UXLLHSPISA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]C(C)C)C2)CC1 ZINC001086558384 929413953 /nfs/dbraw/zinc/41/39/53/929413953.db2.gz JSYVJBPIPPNIJK-KOMQPUFPSA-N 2 0 291.439 1.224 20 30 CDEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CCC ZINC001115161559 937331551 /nfs/dbraw/zinc/33/15/51/937331551.db2.gz HURYGPKURJERHD-FOLVSLTJSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134758953 929886166 /nfs/dbraw/zinc/88/61/66/929886166.db2.gz CVSOSNHMRLNWFO-CQSZACIVSA-N 2 0 267.417 1.533 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135475985 930225885 /nfs/dbraw/zinc/22/58/85/930225885.db2.gz HOCNGZAOCCVQOI-LSDHHAIUSA-N 2 0 293.455 1.615 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135979576 930577927 /nfs/dbraw/zinc/57/79/27/930577927.db2.gz HLXNIBZKCISHHA-ZIAGYGMSSA-N 2 0 269.433 1.777 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135979323 930577956 /nfs/dbraw/zinc/57/79/56/930577956.db2.gz FLBZHFRVBIVRFU-UONOGXRCSA-N 2 0 267.417 1.224 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135979574 930578364 /nfs/dbraw/zinc/57/83/64/930578364.db2.gz HLXNIBZKCISHHA-KGLIPLIRSA-N 2 0 269.433 1.777 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135996840 930594304 /nfs/dbraw/zinc/59/43/04/930594304.db2.gz WLCLZPPBIIZKIX-HUUCEWRRSA-N 2 0 281.444 1.615 20 30 CDEDRP N#Cc1cc(N[C@H]([NH3+])CCC[NH3+])nc(C(F)(F)F)c1 ZINC001170897087 930690471 /nfs/dbraw/zinc/69/04/71/930690471.db2.gz CXXLZSSDQWHQAK-VIFPVBQESA-N 2 0 273.262 1.408 20 30 CDEDRP N#Cc1nc(N[C@@H]([NH3+])CCC[NH3+])ccc1C(F)(F)F ZINC001170897442 930692839 /nfs/dbraw/zinc/69/28/39/930692839.db2.gz HTPRFJGPQFZILF-SECBINFHSA-N 2 0 273.262 1.408 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153827999 937475032 /nfs/dbraw/zinc/47/50/32/937475032.db2.gz FZYKQOIGAQHLQQ-CQSZACIVSA-N 2 0 279.428 1.321 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001091111628 931825036 /nfs/dbraw/zinc/82/50/36/931825036.db2.gz IDGLBTCKOROOHZ-UYSNPLJNSA-N 2 0 291.439 1.224 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091544409 932220853 /nfs/dbraw/zinc/22/08/53/932220853.db2.gz ZDOOQZRFEBHDCP-VYDXJSESSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146356230 932242750 /nfs/dbraw/zinc/24/27/50/932242750.db2.gz QHYOUNPDXJYIHZ-UHFFFAOYSA-N 2 0 287.835 1.565 20 30 CDEDRP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146396918 932244345 /nfs/dbraw/zinc/24/43/45/932244345.db2.gz BTLRIMONXLEUDA-LSDHHAIUSA-N 2 0 297.443 1.158 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1ccnc1 ZINC001146707064 932285961 /nfs/dbraw/zinc/28/59/61/932285961.db2.gz NPDVCXLQNTZCKW-ZIAGYGMSSA-N 2 0 276.384 1.169 20 30 CDEDRP C=CCCCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001276041362 932462343 /nfs/dbraw/zinc/46/23/43/932462343.db2.gz WKJMOULMIMZVIJ-SJORKVTESA-N 2 0 295.471 1.679 20 30 CDEDRP N#Cc1c(N[C@@H]2CCC[C@H]([NH3+])C2)ncc2c1CCC[NH2+]C2 ZINC001154979223 937615940 /nfs/dbraw/zinc/61/59/40/937615940.db2.gz XKARJQUCEKHYOL-QWHCGFSZSA-N 2 0 285.395 1.671 20 30 CDEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001148548439 932738504 /nfs/dbraw/zinc/73/85/04/932738504.db2.gz SOPLMODMBLKMIW-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148625736 932764057 /nfs/dbraw/zinc/76/40/57/932764057.db2.gz IURIMOROWATRMK-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001086863047 932833788 /nfs/dbraw/zinc/83/37/88/932833788.db2.gz FBZMGWIWGSZAHD-UXLLHSPISA-N 2 0 291.439 1.533 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155255642 937653428 /nfs/dbraw/zinc/65/34/28/937653428.db2.gz WRGDHPLMYINRGZ-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001155883855 937685227 /nfs/dbraw/zinc/68/52/27/937685227.db2.gz MQSXUUSDSGLVPY-CVEARBPZSA-N 2 0 295.471 1.813 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC001121938085 937892556 /nfs/dbraw/zinc/89/25/56/937892556.db2.gz RLEGJMIHTJABFB-AGIUHOORSA-N 2 0 253.390 1.256 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374566 938359815 /nfs/dbraw/zinc/35/98/15/938359815.db2.gz STCKDDOVEOLERL-CABCVRRESA-N 2 0 279.428 1.178 20 30 CDEDRP C[C@@]1(C[NH3+])CCCN(c2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001158673327 938648506 /nfs/dbraw/zinc/64/85/06/938648506.db2.gz HIUMWCSIPQGTBO-KRWDZBQOSA-N 2 0 299.422 1.554 20 30 CDEDRP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001158704080 938652291 /nfs/dbraw/zinc/65/22/91/938652291.db2.gz AOSWQCBQKHBBLG-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158751572 938660122 /nfs/dbraw/zinc/66/01/22/938660122.db2.gz YTGNDVMIYDNNAF-HZPDHXFCSA-N 2 0 291.439 1.274 20 30 CDEDRP N#CCc1cnc(N[C@@H]([NH3+])CCC[NH3+])c(Cl)c1 ZINC001159789573 938753448 /nfs/dbraw/zinc/75/34/48/938753448.db2.gz VRORAEHSOUNIGR-SNVBAGLBSA-N 2 0 253.737 1.237 20 30 CDEDRP C=CCOCC[NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160273001 938778097 /nfs/dbraw/zinc/77/80/97/938778097.db2.gz GAPKQZQZTKDFIB-OAHLLOKOSA-N 2 0 297.443 1.159 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001161531582 938908727 /nfs/dbraw/zinc/90/87/27/938908727.db2.gz GAZMTOUPIFBWQC-UHFFFAOYSA-N 2 0 281.444 1.921 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161789149 938932962 /nfs/dbraw/zinc/93/29/62/938932962.db2.gz HEZXBBRCLKXYQM-UHFFFAOYSA-N 2 0 285.819 1.463 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001206679305 939160254 /nfs/dbraw/zinc/16/02/54/939160254.db2.gz CQWRVZXWRWLDTN-UHFFFAOYSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163232143 939229776 /nfs/dbraw/zinc/22/97/76/939229776.db2.gz OLYQMOCWVWXMKY-INIZCTEOSA-N 2 0 293.455 1.923 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1COCCN1CCCC ZINC001163274952 939237838 /nfs/dbraw/zinc/23/78/38/939237838.db2.gz LJRPRTMXYDKIQV-OAHLLOKOSA-N 2 0 297.443 1.159 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001166707810 939629768 /nfs/dbraw/zinc/62/97/68/939629768.db2.gz JGLRLLAXUQPVHR-CMPLNLGQSA-N 2 0 273.808 1.033 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001166744533 939634450 /nfs/dbraw/zinc/63/44/50/939634450.db2.gz YTGIYZNJKBUIDW-UHFFFAOYSA-N 2 0 255.406 1.246 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001208073783 940283803 /nfs/dbraw/zinc/28/38/03/940283803.db2.gz OZFQWTQWCJDBCN-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210221323 940672320 /nfs/dbraw/zinc/67/23/20/940672320.db2.gz ZRHBNXHWLZDZQL-HNNXBMFYSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216463331 940940457 /nfs/dbraw/zinc/94/04/57/940940457.db2.gz DXIRLDDNCPZELQ-HUUCEWRRSA-N 2 0 279.428 1.178 20 30 CDEDRP C=C1CC[NH2+]C[C@H]1Oc1cccc([C@H]([NH3+])CC(=O)OC)c1 ZINC001218209015 941044224 /nfs/dbraw/zinc/04/42/24/941044224.db2.gz SUBCTMABPMVYIS-HUUCEWRRSA-N 2 0 290.363 1.546 20 30 CDEDRP C[C@@H](C#N)c1ccc(NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)cc1 ZINC001218871542 941281810 /nfs/dbraw/zinc/28/18/10/941281810.db2.gz OMLRRFBTIKZTKL-IINYFYTJSA-N 2 0 283.335 1.545 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)C1 ZINC001219538204 941353174 /nfs/dbraw/zinc/35/31/74/941353174.db2.gz WHXWJGNSCFHKMM-YLVFBTJISA-N 2 0 299.374 1.381 20 30 CDEDRP C=C1CC=C(F)C=C1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220797270 941473163 /nfs/dbraw/zinc/47/31/63/941473163.db2.gz MRJXYKQPZFYCKQ-LBPRGKRZSA-N 2 0 267.348 1.646 20 30 CDEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222014210 941557917 /nfs/dbraw/zinc/55/79/17/941557917.db2.gz WTWQVNHRLMIWAK-OWCLPIDISA-N 2 0 291.439 1.437 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](C)C ZINC001227039144 942118978 /nfs/dbraw/zinc/11/89/78/942118978.db2.gz QVNALBZFHBJXED-RBSFLKMASA-N 2 0 279.428 1.367 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001227796800 942225694 /nfs/dbraw/zinc/22/56/94/942225694.db2.gz APPDTGRLJTUHRX-OAHLLOKOSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229717787 942515613 /nfs/dbraw/zinc/51/56/13/942515613.db2.gz XSOLDMKOMCJRNN-HUUCEWRRSA-N 2 0 297.443 1.158 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001282833997 942756798 /nfs/dbraw/zinc/75/67/98/942756798.db2.gz SATDHXBSGHVVJZ-HUUCEWRRSA-N 2 0 293.455 1.423 20 30 CDEDRP C[NH+]1CC2(C1)CC[NH+](Cc1cccc(C#N)n1)CC2 ZINC001232926541 943436137 /nfs/dbraw/zinc/43/61/37/943436137.db2.gz SAVJRDPTITWJLK-UHFFFAOYSA-N 2 0 256.353 1.481 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001263098762 943743500 /nfs/dbraw/zinc/74/35/00/943743500.db2.gz NIOFQVZZUIOOSP-GFCCVEGCSA-N 2 0 279.388 1.067 20 30 CDEDRP C[NH+](C)CCN1CC[C@H]2C[N@@H+](CCCC#N)C[C@H]2CC1 ZINC001277945410 944156602 /nfs/dbraw/zinc/15/66/02/944156602.db2.gz ZKCPMHJZWOIEFA-IYBDPMFKSA-N 2 0 278.444 1.496 20 30 CDEDRP CC(C)(C)OC(=O)N[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@H](C#N)C1 ZINC001254646626 947567570 /nfs/dbraw/zinc/56/75/70/947567570.db2.gz NQFTUOHPZIAONO-RWMBFGLXSA-N 2 0 296.415 1.858 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)[C@H]1CC[C@@H](C#N)C1 ZINC001254667204 947584631 /nfs/dbraw/zinc/58/46/31/947584631.db2.gz BHJCIAJREZVHDE-KGLIPLIRSA-N 2 0 252.406 1.104 20 30 CDEDRP C=C1C[C@@H]2CC([N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)C[C@H](C1)C2 ZINC001246578759 948304654 /nfs/dbraw/zinc/30/46/54/948304654.db2.gz BXZIJWJZQWADBX-YSZZHOLASA-N 2 0 250.386 1.373 20 30 CDEDRP N#CC1CCC(NC(=[NH2+])SCCSC(N)=[NH2+])CC1 ZINC001256959382 948463606 /nfs/dbraw/zinc/46/36/06/948463606.db2.gz XXUPSVQFOQJECO-UHFFFAOYSA-N 2 0 285.442 1.953 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001252482679 951345178 /nfs/dbraw/zinc/34/51/78/951345178.db2.gz NHJHNSYAAIPPQP-HRCADAONSA-N 2 0 284.444 1.508 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]CCCCC[NH+]1CCCC1 ZINC001252487994 951353206 /nfs/dbraw/zinc/35/32/06/951353206.db2.gz DBSJHGJHBVRCRM-OAHLLOKOSA-N 2 0 270.417 1.406 20 30 CDEDRP CC[NH+](CC)C[C@@H](O)CNC(=[NH2+])c1ccc(Cl)cn1 ZINC001253205272 951802453 /nfs/dbraw/zinc/80/24/53/951802453.db2.gz BJHXJUWCWNBVDV-NSHDSACASA-N 2 0 284.791 1.143 20 30 CDEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC001335381400 959758492 /nfs/dbraw/zinc/75/84/92/959758492.db2.gz KOZBTEDFTQRLJX-AWEZNQCLSA-N 2 0 266.772 1.528 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001369582928 959774340 /nfs/dbraw/zinc/77/43/40/959774340.db2.gz OXDZBSXVTTUUDP-UHFFFAOYSA-N 2 0 299.846 1.802 20 30 CDEDRP C=C(Cl)CN(CC)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001420419132 962888391 /nfs/dbraw/zinc/88/83/91/962888391.db2.gz ATPKUAQWEOFPHW-GFCCVEGCSA-N 2 0 287.835 1.519 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001340471195 962950893 /nfs/dbraw/zinc/95/08/93/962950893.db2.gz IYOVVSUDLAGVKT-UPJWGTAASA-N 2 0 253.390 1.113 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001420956989 963385205 /nfs/dbraw/zinc/38/52/05/963385205.db2.gz FPMQRTRBGARSKV-UHFFFAOYSA-N 2 0 285.819 1.462 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC001341465127 963426311 /nfs/dbraw/zinc/42/63/11/963426311.db2.gz ZVIJJTKRAVAKNE-KBPBESRZSA-N 2 0 285.432 1.169 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC001341629904 963489183 /nfs/dbraw/zinc/48/91/83/963489183.db2.gz LFXWAIQWIAZOMV-ZDUSSCGKSA-N 2 0 253.390 1.272 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001439216454 963680176 /nfs/dbraw/zinc/68/01/76/963680176.db2.gz VEIYUBCRJHNMDM-NSHDSACASA-N 2 0 273.808 1.318 20 30 CDEDRP CC[NH+](CC)CC[C@@H](C)NC(=O)[C@H]([NH3+])CCCC#N ZINC001342631103 963779991 /nfs/dbraw/zinc/77/99/91/963779991.db2.gz NBRFYNRHUQVYDI-CHWSQXEVSA-N 2 0 268.405 1.244 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001343457669 963990711 /nfs/dbraw/zinc/99/07/11/963990711.db2.gz GYFMQAXHPULVQV-CYBMUJFWSA-N 2 0 265.401 1.272 20 30 CDEDRP C#CC[NH+]1CCC(OC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC001349770386 966463948 /nfs/dbraw/zinc/46/39/48/966463948.db2.gz OCNNMEQRKRHSDV-UHFFFAOYSA-N 2 0 290.407 1.502 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001100405711 968257577 /nfs/dbraw/zinc/25/75/77/968257577.db2.gz JYANFZYJKAJCJC-UHFFFAOYSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001100443322 968370676 /nfs/dbraw/zinc/37/06/76/968370676.db2.gz AMQWXFICOXRJAU-YMAMQOFZSA-N 2 0 281.444 1.777 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001100443434 968370878 /nfs/dbraw/zinc/37/08/78/968370878.db2.gz HFOPNDPGFJOWAI-YMAMQOFZSA-N 2 0 281.444 1.777 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001100535275 968647221 /nfs/dbraw/zinc/64/72/21/968647221.db2.gz WJIBAVGEZHXGTH-AVVWSFFYSA-N 2 0 291.439 1.531 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001522325279 970420940 /nfs/dbraw/zinc/42/09/40/970420940.db2.gz CARCAQKSFBBYFD-JSGCOSHPSA-N 2 0 286.379 1.487 20 30 CDEDRP C=C(Cl)CN(C)CCN(C)C(=O)CC[N@@H+](C)CC ZINC001496816247 973108251 /nfs/dbraw/zinc/10/82/51/973108251.db2.gz GNJXRFOMEFVTRG-UHFFFAOYSA-N 2 0 275.824 1.471 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001373818559 973655948 /nfs/dbraw/zinc/65/59/48/973655948.db2.gz MPDKXMNZOVGRIZ-QWHCGFSZSA-N 2 0 289.851 1.810 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001507119824 975345232 /nfs/dbraw/zinc/34/52/32/975345232.db2.gz VMZVGJGYVGMBND-GFCCVEGCSA-N 2 0 287.835 1.517 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001407103904 976557088 /nfs/dbraw/zinc/55/70/88/976557088.db2.gz SAJHHJLKBUYOAZ-ZDUSSCGKSA-N 2 0 287.835 1.661 20 30 CDEDRP C#CCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132153467 1163183131 /nfs/dbraw/zinc/18/31/31/1163183131.db2.gz QWBNIZXMNMPNLZ-LSDHHAIUSA-N 2 0 293.455 1.709 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000595960000 343196398 /nfs/dbraw/zinc/19/63/98/343196398.db2.gz RMWXKYQXOPVZKK-IHRRRGAJSA-N 2 0 278.400 1.141 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595935173 343192501 /nfs/dbraw/zinc/19/25/01/343192501.db2.gz AQKFQAUCBQZPLT-GJZGRUSLSA-N 2 0 292.427 1.246 20 30 CDEDRP Cc1cc(C[NH2+]CCN2CC[C@H](O)C2)ccc1C#N ZINC000599019611 343940364 /nfs/dbraw/zinc/94/03/64/343940364.db2.gz SICKNXYGPNSZCI-HNNXBMFYSA-N 2 0 259.353 1.023 20 30 CDEDRP C[NH+]1CCN(CCC[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602593156 344481571 /nfs/dbraw/zinc/48/15/71/344481571.db2.gz MFOMSMQUIUTNCD-UHFFFAOYSA-N 2 0 264.417 1.296 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(O)cc1 ZINC000264100452 362966552 /nfs/dbraw/zinc/96/65/52/362966552.db2.gz MTXDZKCYUGZCOO-CYBMUJFWSA-N 2 0 276.384 1.281 20 30 CDEDRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1C#N ZINC000235012110 359688601 /nfs/dbraw/zinc/68/86/01/359688601.db2.gz VSWKCAGDGYQUCM-AAEUAGOBSA-N 2 0 259.353 1.736 20 30 CDEDRP C=CCOCCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000348032653 359781037 /nfs/dbraw/zinc/78/10/37/359781037.db2.gz LBECAFMOMIELNT-OAHLLOKOSA-N 2 0 284.444 1.604 20 30 CDEDRP CN(Cc1ccc(C#N)cn1)C[C@H]1CCC[N@H+](C)C1 ZINC000566413635 360123525 /nfs/dbraw/zinc/12/35/25/360123525.db2.gz HADCUTZOUKJWRC-AWEZNQCLSA-N 2 0 258.369 1.727 20 30 CDEDRP C=CCN(CC=C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433147495 361215501 /nfs/dbraw/zinc/21/55/01/361215501.db2.gz CPMARLICMAOKNN-UHFFFAOYSA-N 2 0 265.401 1.390 20 30 CDEDRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(C#N)c1 ZINC000423185839 245644907 /nfs/dbraw/zinc/64/49/07/245644907.db2.gz NRIUPMVSFYHPPT-AWEZNQCLSA-N 2 0 272.396 1.504 20 30 CDEDRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000069679959 374598642 /nfs/dbraw/zinc/59/86/42/374598642.db2.gz RXJXRGHUXHWONM-UHFFFAOYSA-N 2 0 286.423 1.675 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]([NH2+]C)C2)CC1 ZINC000417536095 377896531 /nfs/dbraw/zinc/89/65/31/377896531.db2.gz XPUYKIMVWIVRBS-AWEZNQCLSA-N 2 0 280.416 1.030 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000417536971 377900043 /nfs/dbraw/zinc/90/00/43/377900043.db2.gz YYJQQSFHBMEXCM-ZIAGYGMSSA-N 2 0 294.443 1.263 20 30 CDEDRP CN1CC[NH+]=C1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000262200937 391043035 /nfs/dbraw/zinc/04/30/35/391043035.db2.gz AUJSRNWUVDIVSZ-UHFFFAOYSA-N 2 0 272.396 1.673 20 30 CDEDRP [NH2+]=C(NCCN1CCc2sccc2C1)N1CCCCC1 ZINC000303891290 391139170 /nfs/dbraw/zinc/13/91/70/391139170.db2.gz QOPYBZKGGMAEQC-UHFFFAOYSA-N 2 0 292.452 1.907 20 30 CDEDRP C=CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCN(CC)CC2)C1 ZINC000661379521 414036814 /nfs/dbraw/zinc/03/68/14/414036814.db2.gz ZCIKTYFWYNVYNP-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP CN(CCC#N)C(=O)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042393589 174708202 /nfs/dbraw/zinc/70/82/02/174708202.db2.gz KYJMNJDRDLSSDS-UHFFFAOYSA-N 2 0 280.416 1.022 20 30 CDEDRP [NH2+]=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC1CC1 ZINC000264081663 262866670 /nfs/dbraw/zinc/86/66/70/262866670.db2.gz IREVTXLBRQIMSM-OAHLLOKOSA-N 2 0 272.396 1.890 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653117873 424303759 /nfs/dbraw/zinc/30/37/59/424303759.db2.gz XYQKEWIFLCFLLU-CYBMUJFWSA-N 2 0 265.401 1.143 20 30 CDEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123267365 268020446 /nfs/dbraw/zinc/02/04/46/268020446.db2.gz JCSSWZFLHJDUIO-AWEZNQCLSA-N 2 0 281.444 1.731 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000334908685 277775118 /nfs/dbraw/zinc/77/51/18/277775118.db2.gz IYQSQWNCIVKULP-ZDUSSCGKSA-N 2 0 280.416 1.160 20 30 CDEDRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000069680018 279207535 /nfs/dbraw/zinc/20/75/35/279207535.db2.gz WCQGLKKZEUHHNO-UHFFFAOYSA-N 2 0 286.423 1.675 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000564845617 327009364 /nfs/dbraw/zinc/00/93/64/327009364.db2.gz VEVQXHDSRXSTRP-MRXNPFEDSA-N 2 0 281.444 1.072 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@](C)([NH3+])CCC)CC1 ZINC000262710809 330028310 /nfs/dbraw/zinc/02/83/10/330028310.db2.gz QECRUMVYQOENLD-CQSZACIVSA-N 2 0 253.390 1.271 20 30 CDEDRP CN(C)C(NCc1ccccc1)=[NH+]CC1([NH+](C)C)CC1 ZINC000263098794 330043491 /nfs/dbraw/zinc/04/34/91/330043491.db2.gz JSYHTSHZXOKQHA-UHFFFAOYSA-N 2 0 274.412 1.788 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(O)CCCC1(C)C ZINC000263209197 330049272 /nfs/dbraw/zinc/04/92/72/330049272.db2.gz YTZXRHBAMIKTMK-CZUORRHYSA-N 2 0 296.459 1.316 20 30 CDEDRP C=CC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423153100 330173124 /nfs/dbraw/zinc/17/31/24/330173124.db2.gz MYOSLSQRKODYJL-HZSPNIEDSA-N 2 0 252.402 1.945 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000424127368 330259334 /nfs/dbraw/zinc/25/93/34/330259334.db2.gz CREABCHCSWUOMO-OAHLLOKOSA-N 2 0 292.427 1.342 20 30 CDEDRP C[NH+](C)CCOCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000451156924 331017946 /nfs/dbraw/zinc/01/79/46/331017946.db2.gz UFODHFICEUBKAG-UHFFFAOYSA-N 2 0 253.390 1.627 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000491739925 332319091 /nfs/dbraw/zinc/31/90/91/332319091.db2.gz UMQYVSOZAXXMFN-MRXNPFEDSA-N 2 0 291.439 1.273 20 30 CDEDRP C[NH+](C)Cc1ccnc(NC(=O)[C@H]([NH3+])CCCC#N)c1 ZINC000568998098 334850386 /nfs/dbraw/zinc/85/03/86/334850386.db2.gz VYLNVRLUIYDEME-GFCCVEGCSA-N 2 0 275.356 1.103 20 30 CDEDRP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001753644348 1159868226 /nfs/dbraw/zinc/86/82/26/1159868226.db2.gz DUATVYSEVNTZHR-HUUCEWRRSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001752660571 1160027468 /nfs/dbraw/zinc/02/74/68/1160027468.db2.gz IAGANZHQFONOFP-SHTZXODSSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CCC[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001753082287 1185048128 /nfs/dbraw/zinc/04/81/28/1185048128.db2.gz FEQAPMKLYUJVJX-OAHLLOKOSA-N 2 0 279.428 1.322 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)C2CC([NH3+])C2)CC1 ZINC000332489363 526583185 /nfs/dbraw/zinc/58/31/85/526583185.db2.gz SGIDMIPVYPYIPI-UHFFFAOYSA-N 2 0 280.416 1.158 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000334910993 526588663 /nfs/dbraw/zinc/58/86/63/526588663.db2.gz QHNNLGDEZSFZRT-ZIAGYGMSSA-N 2 0 294.443 1.419 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001690103805 1175376407 /nfs/dbraw/zinc/37/64/07/1175376407.db2.gz WANQDEYFARUDSX-UONOGXRCSA-N 2 0 267.417 1.339 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001690103806 1175376745 /nfs/dbraw/zinc/37/67/45/1175376745.db2.gz WANQDEYFARUDSX-ZIAGYGMSSA-N 2 0 267.417 1.339 20 30 CDEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000970050974 612993683 /nfs/dbraw/zinc/99/36/83/612993683.db2.gz POSVHWBAMSEGPI-CQSZACIVSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000981666492 612999958 /nfs/dbraw/zinc/99/99/58/612999958.db2.gz UTMBEEWAVVMJLT-HNNXBMFYSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000971681728 613090591 /nfs/dbraw/zinc/09/05/91/613090591.db2.gz GFZZLCWJBPAWCM-HOTGVXAUSA-N 2 0 291.439 1.415 20 30 CDEDRP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000981827751 613142725 /nfs/dbraw/zinc/14/27/25/613142725.db2.gz HWYSSMWATGZPFO-HNNXBMFYSA-N 2 0 291.439 1.130 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000948554540 613162708 /nfs/dbraw/zinc/16/27/08/613162708.db2.gz XDYXKQZUDUSECG-HZPDHXFCSA-N 2 0 291.439 1.417 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000959846680 613344718 /nfs/dbraw/zinc/34/47/18/613344718.db2.gz GPMTYJRMNSNJQH-XUWVNRHRSA-N 2 0 291.439 1.482 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000948246108 613499862 /nfs/dbraw/zinc/49/98/62/613499862.db2.gz VPGFXBNNEPNMTP-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000947686200 613519715 /nfs/dbraw/zinc/51/97/15/613519715.db2.gz VLHWJFCTOOHKRT-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549409 613531099 /nfs/dbraw/zinc/53/10/99/613531099.db2.gz QIFBFLVGXPFWGH-LSDHHAIUSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000970014323 613665947 /nfs/dbraw/zinc/66/59/47/613665947.db2.gz BMQUGCKUAOYKEA-GFCCVEGCSA-N 2 0 298.390 1.879 20 30 CDEDRP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000968866380 613683375 /nfs/dbraw/zinc/68/33/75/613683375.db2.gz GZOUXGSVVAXZTF-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977480496 613806068 /nfs/dbraw/zinc/80/60/68/613806068.db2.gz WBVHJSGTIJKDDG-CYBMUJFWSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000963625610 613858388 /nfs/dbraw/zinc/85/83/88/613858388.db2.gz RDTOZEYEUBELCW-JNJRBNHSSA-N 2 0 277.412 1.284 20 30 CDEDRP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000981312832 613861673 /nfs/dbraw/zinc/86/16/73/613861673.db2.gz YITVNFKMEBGEAA-CABCVRRESA-N 2 0 279.428 1.531 20 30 CDEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000960254806 613871100 /nfs/dbraw/zinc/87/11/00/613871100.db2.gz LDLOAMSQTGFCFU-BRWVUGGUSA-N 2 0 299.418 1.638 20 30 CDEDRP C=CCNC(=[NH2+])NCCCCC[NH+]1CCCCC1 ZINC000849007572 617630118 /nfs/dbraw/zinc/63/01/18/617630118.db2.gz BYANJZCVMWPRKU-UHFFFAOYSA-N 2 0 252.406 1.943 20 30 CDEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]CC#Cc2ccccc2)CC1 ZINC000892927991 617912635 /nfs/dbraw/zinc/91/26/35/617912635.db2.gz JREUZBABSWLDHO-SFHVURJKSA-N 2 0 299.462 1.901 20 30 CDEDRP C#C[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCCO1 ZINC000800375106 618406216 /nfs/dbraw/zinc/40/62/16/618406216.db2.gz XUZGHUJVURROMO-DLBZAZTESA-N 2 0 293.455 1.173 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1cn(C)nc1C1CC1 ZINC000894638506 619000190 /nfs/dbraw/zinc/00/01/90/619000190.db2.gz CPEWCAAZKCTMSV-UHFFFAOYSA-N 2 0 260.385 1.342 20 30 CDEDRP C[C@H](C#N)OCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000801933858 625380057 /nfs/dbraw/zinc/38/00/57/625380057.db2.gz GSYKQJNNXAPMFV-IJEWVQPXSA-N 2 0 277.412 1.864 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1COCCN1CCCC ZINC001131822158 1163064692 /nfs/dbraw/zinc/06/46/92/1163064692.db2.gz KGVQZTZYMWYCIE-OAHLLOKOSA-N 2 0 297.443 1.159 20 30 CDEDRP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001111028197 1166774578 /nfs/dbraw/zinc/77/45/78/1166774578.db2.gz NCUXSJMSOSGZMJ-KFWWJZLASA-N 2 0 291.439 1.319 20 30 CDEDRP CN1CC[C@](O)(C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC001657743353 1171983642 /nfs/dbraw/zinc/98/36/42/1171983642.db2.gz RDUNMEHJAQNBJV-RUXDESIVSA-N 2 0 251.374 1.115 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCC)CC1 ZINC000222865628 1177922888 /nfs/dbraw/zinc/92/28/88/1177922888.db2.gz ATGFGKOMRMSVQD-UHFFFAOYSA-N 2 0 251.418 1.688 20 30 CDEDRP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001732076470 1182752974 /nfs/dbraw/zinc/75/29/74/1182752974.db2.gz ORTFSXODTARUPG-CVEARBPZSA-N 2 0 293.455 1.663 20 30 CDEDRP C=CCC[N@H+](CC)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001752210222 1184836850 /nfs/dbraw/zinc/83/68/50/1184836850.db2.gz MRIVJIIBLHBXJI-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001752980442 1184981850 /nfs/dbraw/zinc/98/18/50/1184981850.db2.gz NIOYOVVWJHULHU-KGLIPLIRSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001753072641 1185038249 /nfs/dbraw/zinc/03/82/49/1185038249.db2.gz WUADJJFREZYJLR-RDJZCZTQSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001753264026 1185136511 /nfs/dbraw/zinc/13/65/11/1185136511.db2.gz FVIBVRFNYSZQTN-STQMWFEESA-N 2 0 287.835 1.660 20 30 CDEDRP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001753587751 1185260000 /nfs/dbraw/zinc/26/00/00/1185260000.db2.gz MPRPWFZSSHIXNR-RBSFLKMASA-N 2 0 279.428 1.531 20 30 CDEDRP CC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001753810751 1185341414 /nfs/dbraw/zinc/34/14/14/1185341414.db2.gz BVGCQARNMCGKSE-HOTGVXAUSA-N 2 0 293.455 1.568 20 30 CDEDRP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001754313836 1185572096 /nfs/dbraw/zinc/57/20/96/1185572096.db2.gz FPTHAOKYHVHNRQ-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001754604577 1185679655 /nfs/dbraw/zinc/67/96/55/1185679655.db2.gz PLIZMPJRHTVICT-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001754611206 1185682750 /nfs/dbraw/zinc/68/27/50/1185682750.db2.gz UMPLPFSNJGHTKB-KBPBESRZSA-N 2 0 285.407 1.433 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001754619055 1185686352 /nfs/dbraw/zinc/68/63/52/1185686352.db2.gz QKVRYQWNPXJHBA-ZDUSSCGKSA-N 2 0 253.390 1.095 20 30 CDEDRP C=CC[NH+]1CCC(C)(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001754630185 1185689406 /nfs/dbraw/zinc/68/94/06/1185689406.db2.gz AYEIKVPFAVUDBM-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001754796529 1185733520 /nfs/dbraw/zinc/73/35/20/1185733520.db2.gz CSACYDKISHQZCJ-LSDHHAIUSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[N@@H+](C)[C@H](C)CNC(=O)Cc1[nH]cnc1C ZINC001755324457 1185917628 /nfs/dbraw/zinc/91/76/28/1185917628.db2.gz MIPQFYWKKPTULR-LLVKDONJSA-N 2 0 264.373 1.273 20 30 CDEDRP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001755478271 1185963625 /nfs/dbraw/zinc/96/36/25/1185963625.db2.gz WEEQIQSVVWAJQK-KKUMJFAQSA-N 2 0 279.428 1.224 20 30 CDEDRP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001755498887 1185972683 /nfs/dbraw/zinc/97/26/83/1185972683.db2.gz PRMLEDCRYRSHHJ-CABCVRRESA-N 2 0 281.444 1.920 20 30 CDEDRP C=CCC[NH+](C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001755535466 1185981548 /nfs/dbraw/zinc/98/15/48/1185981548.db2.gz KIUBFIPIGFUYKZ-UHFFFAOYSA-N 2 0 281.444 1.827 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001755604506 1186009693 /nfs/dbraw/zinc/00/96/93/1186009693.db2.gz XCOKVQIUHBVTDY-GJZGRUSLSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001755862008 1186094460 /nfs/dbraw/zinc/09/44/60/1186094460.db2.gz SERPDDWAFYBHJJ-NRXISQOPSA-N 2 0 281.444 1.872 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133846303 1163931233 /nfs/dbraw/zinc/93/12/33/1163931233.db2.gz YFZCNPPPCSUDCY-OAHLLOKOSA-N 2 0 281.444 1.780 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135706101 1164168978 /nfs/dbraw/zinc/16/89/78/1164168978.db2.gz OXCPGBJPLQXHIR-UONOGXRCSA-N 2 0 269.433 1.777 20 30 CDEDRP C=CC(C)(C)CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000849036165 752304750 /nfs/dbraw/zinc/30/47/50/752304750.db2.gz UWBBKHSROFGGLB-GFCCVEGCSA-N 2 0 252.406 1.797 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000997008621 751384926 /nfs/dbraw/zinc/38/49/26/751384926.db2.gz WADAVBGNIWJQEC-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033425512 751699316 /nfs/dbraw/zinc/69/93/16/751699316.db2.gz JTQHCUPMFWLHNX-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP CC#CCN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001007457869 751842655 /nfs/dbraw/zinc/84/26/55/751842655.db2.gz TWMPFJAMTNEYDB-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049552035 751861097 /nfs/dbraw/zinc/86/10/97/751861097.db2.gz SIWOTVVXVRUFGC-RBSFLKMASA-N 2 0 279.428 1.578 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000985470161 751885640 /nfs/dbraw/zinc/88/56/40/751885640.db2.gz MJHJPPNVKQMWRI-HNNXBMFYSA-N 2 0 279.428 1.435 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000997094843 751937404 /nfs/dbraw/zinc/93/74/04/751937404.db2.gz VZLPDNQPBSZTTH-CVEARBPZSA-N 2 0 291.439 1.770 20 30 CDEDRP C#CCN1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001034239809 751939607 /nfs/dbraw/zinc/93/96/07/751939607.db2.gz MUJDGLAZFKKIRP-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C[C@H]1C[C@H](C[NH+]2CCN(c3ccc(C#N)nc3)CC2)CC[NH2+]1 ZINC000873228031 751951266 /nfs/dbraw/zinc/95/12/66/751951266.db2.gz QFKCQZQFCMZARP-LSDHHAIUSA-N 2 0 299.422 1.463 20 30 CDEDRP C[C@@H]1CCC[N@H+](CCCCNC(=[NH2+])N2CCOCC2)C1 ZINC000303876307 752062212 /nfs/dbraw/zinc/06/22/12/752062212.db2.gz DVWWJNMTWVLFRS-CQSZACIVSA-N 2 0 282.432 1.145 20 30 CDEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001114463290 1165191097 /nfs/dbraw/zinc/19/10/97/1165191097.db2.gz GQWYMYOZCWOGSA-BARDWOONSA-N 2 0 279.428 1.339 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001020381766 752077286 /nfs/dbraw/zinc/07/72/86/752077286.db2.gz ZLFIRALJDRPUIO-JOCQHMNTSA-N 2 0 297.362 1.304 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001202531717 1165217344 /nfs/dbraw/zinc/21/73/44/1165217344.db2.gz MBHATKCCKMZRRT-AWEZNQCLSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001003230724 752231090 /nfs/dbraw/zinc/23/10/90/752231090.db2.gz QSTVZKASDKJCBI-INIZCTEOSA-N 2 0 293.455 1.873 20 30 CDEDRP C[NH+]=C(NCC[NH+]1CCCC1)N(C)Cc1cccn1C ZINC000261657632 752250594 /nfs/dbraw/zinc/25/05/94/752250594.db2.gz AIAUIUPJHJDTKG-UHFFFAOYSA-N 2 0 277.416 1.128 20 30 CDEDRP CCCCCCC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000385410435 749378135 /nfs/dbraw/zinc/37/81/35/749378135.db2.gz RMRIFJVHDXDTOG-OAHLLOKOSA-N 2 0 253.434 1.936 20 30 CDEDRP C[C@H]1C[NH+](CCCNC(=[NH2+])NCC2CCC2)C[C@H](C)O1 ZINC000303788103 749392735 /nfs/dbraw/zinc/39/27/35/749392735.db2.gz TWOPLCIAZQEXSK-STQMWFEESA-N 2 0 282.432 1.190 20 30 CDEDRP C=C(CC)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879593914 749394553 /nfs/dbraw/zinc/39/45/53/749394553.db2.gz QYWQFONROBVRIP-UHFFFAOYSA-N 2 0 251.418 1.664 20 30 CDEDRP C=CCC[NH+]1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001006413785 749586258 /nfs/dbraw/zinc/58/62/58/749586258.db2.gz RWNHQUQWEPLYQG-UHFFFAOYSA-N 2 0 279.428 1.581 20 30 CDEDRP CCCCNC(=[NH2+])NCCC[N@@H+]1CCCC[C@H]1C ZINC000104156648 749699041 /nfs/dbraw/zinc/69/90/41/749699041.db2.gz CWRBUKVVBBJSLR-CYBMUJFWSA-N 2 0 254.422 1.955 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001052713309 749809416 /nfs/dbraw/zinc/80/94/16/749809416.db2.gz USJOPBVPMRTDBT-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP CCN1CC[NH+](CCCCNC(=[NH2+])NCC2CCC2)CC1 ZINC000303886113 749820154 /nfs/dbraw/zinc/82/01/54/749820154.db2.gz KBYSTNKKPYDKPD-UHFFFAOYSA-N 2 0 295.475 1.109 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC)C1 ZINC001017149411 749927150 /nfs/dbraw/zinc/92/71/50/749927150.db2.gz MKZMKONBBJFCOD-HOTGVXAUSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001027442317 749991202 /nfs/dbraw/zinc/99/12/02/749991202.db2.gz DESAPPUWDQCXTD-HUUCEWRRSA-N 2 0 279.428 1.435 20 30 CDEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001028334067 750035755 /nfs/dbraw/zinc/03/57/55/750035755.db2.gz RFZSDAJWZSSOPN-KRWDZBQOSA-N 2 0 299.418 1.576 20 30 CDEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041828878 750045896 /nfs/dbraw/zinc/04/58/96/750045896.db2.gz JORXGVATYLVHQU-GDBMZVCRSA-N 2 0 277.412 1.049 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997180398 750198753 /nfs/dbraw/zinc/19/87/53/750198753.db2.gz QOWIKRDEAUXMAR-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001041141715 750267078 /nfs/dbraw/zinc/26/70/78/750267078.db2.gz PSEZPTSGDWWAKZ-HOCLYGCPSA-N 2 0 277.412 1.191 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076203717 750275005 /nfs/dbraw/zinc/27/50/05/750275005.db2.gz ACNHVGZAQPGEMO-JKSUJKDBSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071997339 750323661 /nfs/dbraw/zinc/32/36/61/750323661.db2.gz YQPQDUVDRYHZGE-CABCVRRESA-N 2 0 289.423 1.075 20 30 CDEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCCCCC2)C1 ZINC000126007779 750328371 /nfs/dbraw/zinc/32/83/71/750328371.db2.gz XHSDGXJSXXQULG-ZDUSSCGKSA-N 2 0 252.406 1.519 20 30 CDEDRP CC(C)CNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000261993873 750333949 /nfs/dbraw/zinc/33/39/49/750333949.db2.gz NDTNVBDGYOMQGZ-QWHCGFSZSA-N 2 0 254.422 1.667 20 30 CDEDRP C=C(C)C[N@@H+]1CCCN(C(=O)Cn2ccnc2C)CC1 ZINC000989672891 750364595 /nfs/dbraw/zinc/36/45/95/750364595.db2.gz CSCOLVBOKKRRAE-UHFFFAOYSA-N 2 0 276.384 1.302 20 30 CDEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039321870 750369731 /nfs/dbraw/zinc/36/97/31/750369731.db2.gz VFQCZBVCBGSQRH-WZYMTQMTSA-N 2 0 289.423 1.073 20 30 CDEDRP C#CCN1CCC[C@@H](NC(=O)Nc2cc(C)ncc2C)C1 ZINC000930624729 750397196 /nfs/dbraw/zinc/39/71/96/750397196.db2.gz HHFJTPIDLXZJHY-CQSZACIVSA-N 2 0 286.379 1.339 20 30 CDEDRP C#CCOCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000851740180 750417960 /nfs/dbraw/zinc/41/79/60/750417960.db2.gz MYULHYDYPQZTOX-UHFFFAOYSA-N 2 0 280.412 1.071 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCC)C[C@H]2C)CC1 ZINC000989829814 750669640 /nfs/dbraw/zinc/66/96/40/750669640.db2.gz WWMCQHWSYDRXDQ-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCCN1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000101657010 750809294 /nfs/dbraw/zinc/80/92/94/750809294.db2.gz XOSGTGDSECOCAR-OAGGEKHMSA-N 2 0 291.439 1.415 20 30 CDEDRP C[C@@H](C#N)OCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394477871 750822826 /nfs/dbraw/zinc/82/28/26/750822826.db2.gz JAAROTNZJNSHHU-ICIURTGMSA-N 2 0 251.374 1.472 20 30 CDEDRP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001040112499 750827787 /nfs/dbraw/zinc/82/77/87/750827787.db2.gz AAQOJFXMDWUPKB-NVXWUHKLSA-N 2 0 289.423 1.028 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001825659 750867561 /nfs/dbraw/zinc/86/75/61/750867561.db2.gz NDUSRHHRKNYZAI-HOCLYGCPSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001028445725 750883813 /nfs/dbraw/zinc/88/38/13/750883813.db2.gz UKHYJKJPGWUZMS-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CCN1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034203573 750887330 /nfs/dbraw/zinc/88/73/30/750887330.db2.gz FKADPZOFMCGLEF-HOTGVXAUSA-N 2 0 291.439 1.463 20 30 CDEDRP C[NH+](C)CC1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000885959085 750889317 /nfs/dbraw/zinc/88/93/17/750889317.db2.gz SBHXXGYXJWEYFS-HNNXBMFYSA-N 2 0 279.428 1.705 20 30 CDEDRP CC[C@H](C)NC(=[NH2+])NCCC[N@@H+]1CCCC[C@@H]1C ZINC000303256576 750890309 /nfs/dbraw/zinc/89/03/09/750890309.db2.gz IEWAWVOOYRRTSS-STQMWFEESA-N 2 0 254.422 1.954 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CCc2cncn2C)[C@@H]1C ZINC000987441016 750958918 /nfs/dbraw/zinc/95/89/18/750958918.db2.gz NXUSDSGPSHGZBP-OCCSQVGLSA-N 2 0 276.384 1.118 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001019382993 750967815 /nfs/dbraw/zinc/96/78/15/750967815.db2.gz RSLQGUXOPBVHJT-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001033689708 751002098 /nfs/dbraw/zinc/00/20/98/751002098.db2.gz GQTFZHQJVJXVKX-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP CCC(CC)[C@@H](CNC(=[NH2+])N(C)C1CC1)[NH+](C)C ZINC000305800110 751025947 /nfs/dbraw/zinc/02/59/47/751025947.db2.gz CSUMQIZUSDTRSB-CYBMUJFWSA-N 2 0 254.422 1.762 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001004207459 751043878 /nfs/dbraw/zinc/04/38/78/751043878.db2.gz WFIMTCHIBWEGNT-HUUCEWRRSA-N 2 0 291.439 1.463 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CC1(C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261971644 751300620 /nfs/dbraw/zinc/30/06/20/751300620.db2.gz MWTOUMIUEBQHID-MBNYWOFBSA-N 2 0 278.444 1.680 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033319701 751323523 /nfs/dbraw/zinc/32/35/23/751323523.db2.gz RMKDQRVAUWLOBP-AWEZNQCLSA-N 2 0 279.428 1.580 20 30 CDEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NCCC(C)C)C1 ZINC000303891653 752315083 /nfs/dbraw/zinc/31/50/83/752315083.db2.gz QVZXECDLUYUJHJ-CYBMUJFWSA-N 2 0 254.422 1.669 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000869815117 752333725 /nfs/dbraw/zinc/33/37/25/752333725.db2.gz ZJWJXFOECSHRES-UHFFFAOYSA-N 2 0 299.418 1.449 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC000986932538 752626626 /nfs/dbraw/zinc/62/66/26/752626626.db2.gz AQRZCCHYBRZNQJ-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C[C@H](CC)CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000932035717 752667711 /nfs/dbraw/zinc/66/77/11/752667711.db2.gz ZKAMELKVEPIJOI-CQSZACIVSA-N 2 0 269.433 1.541 20 30 CDEDRP C=CCNC(=[NH2+])NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000303262414 752749435 /nfs/dbraw/zinc/74/94/35/752749435.db2.gz PQPQAFYRJFELSD-STQMWFEESA-N 2 0 252.406 1.445 20 30 CDEDRP C[C@H](CNC(=[NH2+])N1CCCCC1)[NH+]1CCC(C)CC1 ZINC000303878648 752776534 /nfs/dbraw/zinc/77/65/34/752776534.db2.gz JDLWITBBDVAIOR-CQSZACIVSA-N 2 0 266.433 1.907 20 30 CDEDRP C[C@H]1CNC(NN=C2CN(Cc3ccccc3)CC[C@H]2C)=[NH+]1 ZINC000779799900 752832307 /nfs/dbraw/zinc/83/23/07/752832307.db2.gz YLGYINKUADOTES-KGLIPLIRSA-N 2 0 299.422 1.822 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999870813 752877685 /nfs/dbraw/zinc/87/76/85/752877685.db2.gz HRBKEXNKEHARCA-AWEZNQCLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001072979864 752913609 /nfs/dbraw/zinc/91/36/09/752913609.db2.gz ONGIKPFXUFOVGH-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001033775184 753000179 /nfs/dbraw/zinc/00/01/79/753000179.db2.gz LQFUFTMUMVGIOE-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001036059203 753013621 /nfs/dbraw/zinc/01/36/21/753013621.db2.gz CXKBYAIDKVZJTR-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2ncc[nH]2)CC1(C)C ZINC000996458964 753015384 /nfs/dbraw/zinc/01/53/84/753015384.db2.gz YGPVTAZVTPCGHE-GFCCVEGCSA-N 2 0 276.384 1.355 20 30 CDEDRP CC#CC[NH+]1CCC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001005990376 753094686 /nfs/dbraw/zinc/09/46/86/753094686.db2.gz FVUZBVLXSOGBDA-HNNXBMFYSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001031729085 753170059 /nfs/dbraw/zinc/17/00/59/753170059.db2.gz AQBJUKAOUUGEHH-INIZCTEOSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000985518475 753224816 /nfs/dbraw/zinc/22/48/16/753224816.db2.gz QEKZMESESITUSO-UHFFFAOYSA-N 2 0 291.439 1.724 20 30 CDEDRP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001000679230 753257875 /nfs/dbraw/zinc/25/78/75/753257875.db2.gz OXEYQGQVBFUZPC-INIZCTEOSA-N 2 0 289.423 1.241 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000986812185 753283816 /nfs/dbraw/zinc/28/38/16/753283816.db2.gz OIAGAKCSWDKOOO-ZFWWWQNUSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001034395374 753309740 /nfs/dbraw/zinc/30/97/40/753309740.db2.gz XFYLBKJPYCFMAG-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP CC#CCN1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001008552972 753495238 /nfs/dbraw/zinc/49/52/38/753495238.db2.gz SOHLLPWENNSOCR-HNNXBMFYSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001027547491 753562229 /nfs/dbraw/zinc/56/22/29/753562229.db2.gz SPLUQWFMWVDZLD-JYJNAYRXSA-N 2 0 291.439 1.273 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001072981552 753679402 /nfs/dbraw/zinc/67/94/02/753679402.db2.gz KWYJDAIIWSXMHN-AWEZNQCLSA-N 2 0 277.412 1.049 20 30 CDEDRP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039470348 753792683 /nfs/dbraw/zinc/79/26/83/753792683.db2.gz WTSFYVMLBHFSFQ-OAGGEKHMSA-N 2 0 289.423 1.027 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000989826701 753805520 /nfs/dbraw/zinc/80/55/20/753805520.db2.gz RUOREFISENCXJG-RHSMWYFYSA-N 2 0 299.418 1.574 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032958500 753807465 /nfs/dbraw/zinc/80/74/65/753807465.db2.gz AYYPWEADURKXBM-KBPBESRZSA-N 2 0 265.401 1.189 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001038340779 753838331 /nfs/dbraw/zinc/83/83/31/753838331.db2.gz PDOCVXMIGIJARX-JKSUJKDBSA-N 2 0 293.455 1.731 20 30 CDEDRP N#Cc1csc(C[NH2+]CC[C@H]2CCC[NH2+]CC2)n1 ZINC001580081750 1167709582 /nfs/dbraw/zinc/70/95/82/1167709582.db2.gz QTUVIUGAEMSVDU-NSHDSACASA-N 2 0 264.398 1.884 20 30 CDEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200647 912438998 /nfs/dbraw/zinc/43/89/98/912438998.db2.gz UPASYLPAXCINJX-OCCSQVGLSA-N 2 0 265.401 1.141 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127253981 913147424 /nfs/dbraw/zinc/14/74/24/913147424.db2.gz BSGGBAICBRHFTJ-KBPBESRZSA-N 2 0 265.401 1.143 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127254221 913151873 /nfs/dbraw/zinc/15/18/73/913151873.db2.gz DDADTYPLPJDVEL-LSDHHAIUSA-N 2 0 279.428 1.533 20 30 CDEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174928894 913386077 /nfs/dbraw/zinc/38/60/77/913386077.db2.gz MLLZWMBYPITWFU-OAHLLOKOSA-N 2 0 293.455 1.616 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106281910 913784218 /nfs/dbraw/zinc/78/42/18/913784218.db2.gz KLLRKWFWFXRENJ-OAGGEKHMSA-N 2 0 295.471 1.833 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106321529 913855695 /nfs/dbraw/zinc/85/56/95/913855695.db2.gz AIRZWQOGGUENIZ-BZUAXINKSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001167236007 894930033 /nfs/dbraw/zinc/93/00/33/894930033.db2.gz FSAGMTVFHVLLDD-HUUCEWRRSA-N 2 0 293.455 1.636 20 30 CDEDRP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001482160609 902784635 /nfs/dbraw/zinc/78/46/35/902784635.db2.gz IHTNKMIMTFBCIR-QWHCGFSZSA-N 2 0 255.406 1.245 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001270187682 904427606 /nfs/dbraw/zinc/42/76/06/904427606.db2.gz JZHNLIUUJBJJDM-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001088579348 908142757 /nfs/dbraw/zinc/14/27/57/908142757.db2.gz BSPUAYMKKYSCSX-FXUDXRNXSA-N 2 0 291.439 1.319 20 30 CDEDRP CC#CCN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@H]1C ZINC001088605126 908215746 /nfs/dbraw/zinc/21/57/46/908215746.db2.gz HXWRFNBZWYUWCK-OWCLPIDISA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000988957987 908625050 /nfs/dbraw/zinc/62/50/50/908625050.db2.gz HIMXDVWCYMTRQW-QWHCGFSZSA-N 2 0 265.401 1.236 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001088619963 908631911 /nfs/dbraw/zinc/63/19/11/908631911.db2.gz MUGGQFKKFQBFRF-OAGGEKHMSA-N 2 0 293.455 1.729 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001189660055 921611760 /nfs/dbraw/zinc/61/17/60/921611760.db2.gz MXSDITDWODCZKW-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCN1CC[C@@]2(CCC[N@@H+]2CC2CC[NH2+]CC2)C1=O ZINC001273030098 921687200 /nfs/dbraw/zinc/68/72/00/921687200.db2.gz LGWQJCITEDYYID-INIZCTEOSA-N 2 0 277.412 1.239 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033081773 921701876 /nfs/dbraw/zinc/70/18/76/921701876.db2.gz NWFMQEBAMLWDTM-LSDHHAIUSA-N 2 0 277.412 1.047 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC001120456136 911951029 /nfs/dbraw/zinc/95/10/29/911951029.db2.gz PJYRPGVLWHJTHX-FRRDWIJNSA-N 2 0 253.390 1.304 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)c2cccc3nccn32)[C@H]1C ZINC001179141609 915747036 /nfs/dbraw/zinc/74/70/36/915747036.db2.gz DENIJYYCLPWVDP-KBPBESRZSA-N 2 0 296.374 1.550 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001179852199 916010580 /nfs/dbraw/zinc/01/05/80/916010580.db2.gz CZUMHIQNOGEKCI-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)CCCC[NH+](C)C ZINC001180095758 916136456 /nfs/dbraw/zinc/13/64/56/916136456.db2.gz OYFQXJBONSLLEF-UHFFFAOYSA-N 2 0 281.444 1.618 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cn2ccnc2)[C@H]1C ZINC001180279602 916252317 /nfs/dbraw/zinc/25/23/17/916252317.db2.gz HBTRIFCUOWKOLE-KBPBESRZSA-N 2 0 276.384 1.428 20 30 CDEDRP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2ccnc2)CC1 ZINC001052972772 936407177 /nfs/dbraw/zinc/40/71/77/936407177.db2.gz VPQZAJDEPLHGGH-ZDUSSCGKSA-N 2 0 296.802 1.606 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H]2C[N@H+](CCC)C[C@@H]2C1 ZINC001183044745 918269579 /nfs/dbraw/zinc/26/95/79/918269579.db2.gz MGJSRMIKFRODPF-IYBDPMFKSA-N 2 0 291.439 1.439 20 30 CDEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001183082419 918277706 /nfs/dbraw/zinc/27/77/06/918277706.db2.gz UMVRPYKVRIMVKS-NVXWUHKLSA-N 2 0 293.455 1.426 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N(CC[NH3+])c1cccnc1 ZINC001183085866 918278704 /nfs/dbraw/zinc/27/87/04/918278704.db2.gz MAMJXNUHKVBBAC-UHFFFAOYSA-N 2 0 274.368 1.025 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001185335163 919556427 /nfs/dbraw/zinc/55/64/27/919556427.db2.gz APMXXWPJOHRGJX-CABCVRRESA-N 2 0 281.444 1.588 20 30 CDEDRP C=CCN1CC[C@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001272888128 919964948 /nfs/dbraw/zinc/96/49/48/919964948.db2.gz OZCYOOUMLBBQQV-KRWDZBQOSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001078812474 920473072 /nfs/dbraw/zinc/47/30/72/920473072.db2.gz LACXQNUDEDWFFV-KGLIPLIRSA-N 2 0 277.412 1.285 20 30 CDEDRP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190324751 921962933 /nfs/dbraw/zinc/96/29/33/921962933.db2.gz NMZLPWJBTDIEND-JKSUJKDBSA-N 2 0 289.423 1.028 20 30 CDEDRP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190442757 921998631 /nfs/dbraw/zinc/99/86/31/921998631.db2.gz BAFBHRDEAISBLJ-HUUCEWRRSA-N 2 0 297.418 1.222 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296230 922138909 /nfs/dbraw/zinc/13/89/09/922138909.db2.gz RGJKZEMILRZFNB-JKSUJKDBSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001190899112 922287859 /nfs/dbraw/zinc/28/78/59/922287859.db2.gz HQDUIIPYWYOXEC-ZIAGYGMSSA-N 2 0 267.417 1.435 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192161672 922928175 /nfs/dbraw/zinc/92/81/75/922928175.db2.gz KKGGYHSYJYTSAW-ZDUSSCGKSA-N 2 0 253.390 1.047 20 30 CDEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169862 922930064 /nfs/dbraw/zinc/93/00/64/922930064.db2.gz DHRPHMGVKKWTGE-AWEZNQCLSA-N 2 0 267.417 1.437 20 30 CDEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001192342472 923013820 /nfs/dbraw/zinc/01/38/20/923013820.db2.gz FWTOFNHQCNCFCZ-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001080442596 924571889 /nfs/dbraw/zinc/57/18/89/924571889.db2.gz GVIJCILHHZQRHK-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001082611994 924964399 /nfs/dbraw/zinc/96/43/99/924964399.db2.gz LZGXGCFQZPYLGT-BZUAXINKSA-N 2 0 291.439 1.177 20 30 CDEDRP C#CC[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@]2(C)C1 ZINC001101440183 936972433 /nfs/dbraw/zinc/97/24/33/936972433.db2.gz JOPORBMPXOECBN-WBVHZDCISA-N 2 0 291.439 1.132 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)[C@@H]2C1 ZINC001084388742 925247908 /nfs/dbraw/zinc/24/79/08/925247908.db2.gz CQHLPVPBGDEAKS-OWCLPIDISA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084422157 925249722 /nfs/dbraw/zinc/24/97/22/925249722.db2.gz NWSPHFMUNZSFCK-BZUAXINKSA-N 2 0 291.439 1.580 20 30 CDEDRP C#CCC[N@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198243018 925375080 /nfs/dbraw/zinc/37/50/80/925375080.db2.gz CFIHMGDNTPQRMA-UHFFFAOYSA-N 2 0 291.439 1.420 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048914 937039488 /nfs/dbraw/zinc/03/94/88/937039488.db2.gz UTMHUHCIFINEGU-FVQBIDKESA-N 2 0 293.455 1.587 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001085422895 925942775 /nfs/dbraw/zinc/94/27/75/925942775.db2.gz MTECLWHPUHAAOH-ZIAGYGMSSA-N 2 0 299.846 1.852 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154909482 926022673 /nfs/dbraw/zinc/02/26/73/926022673.db2.gz OQMOQZSBNQTKDZ-CQSZACIVSA-N 2 0 269.433 1.731 20 30 CDEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169800107 928424752 /nfs/dbraw/zinc/42/47/52/928424752.db2.gz ZXHSMJCKBNXMPA-LSDHHAIUSA-N 2 0 281.444 1.921 20 30 CDEDRP CCCCCCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151065221 937267111 /nfs/dbraw/zinc/26/71/11/937267111.db2.gz IMSBAJHACVUKJG-AWEZNQCLSA-N 2 0 269.433 1.614 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672739 929005844 /nfs/dbraw/zinc/00/58/44/929005844.db2.gz RNGKYKHAYFTLQL-RDBSUJKOSA-N 2 0 265.401 1.236 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001202502522 929105320 /nfs/dbraw/zinc/10/53/20/929105320.db2.gz DJXCBMMKCISWEY-UKRRQHHQSA-N 2 0 279.428 1.341 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001170742650 929669277 /nfs/dbraw/zinc/66/92/77/929669277.db2.gz MNMJMFFOYWFIKJ-JKSUJKDBSA-N 2 0 293.455 1.757 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001170757332 929791214 /nfs/dbraw/zinc/79/12/14/929791214.db2.gz VTZXKEBXOOYTDG-UHFFFAOYSA-N 2 0 279.428 1.390 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135182233 930086265 /nfs/dbraw/zinc/08/62/65/930086265.db2.gz ZZVXYSIPOMPWGL-KBPBESRZSA-N 2 0 279.428 1.367 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135372904 930174745 /nfs/dbraw/zinc/17/47/45/930174745.db2.gz UEVWCSCGAXEHAM-KBPBESRZSA-N 2 0 269.433 1.777 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135372306 930175320 /nfs/dbraw/zinc/17/53/20/930175320.db2.gz QFLAOMJHJANSSH-CHWSQXEVSA-N 2 0 255.406 1.387 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938881 930551233 /nfs/dbraw/zinc/55/12/33/930551233.db2.gz PXJSPFBGGLXZST-STQMWFEESA-N 2 0 299.846 1.708 20 30 CDEDRP C=CCN(CC[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1)C(=O)OCC ZINC001205980892 930555689 /nfs/dbraw/zinc/55/56/89/930555689.db2.gz ALZVKEHASCGXOJ-CABCVRRESA-N 2 0 297.443 1.938 20 30 CDEDRP C[C@@H]([NH3+])CCNc1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001170890041 930680888 /nfs/dbraw/zinc/68/08/88/930680888.db2.gz BLOGKIQIWNWADR-VDCVXVNISA-N 2 0 259.357 1.929 20 30 CDEDRP N#Cc1cnc(N[C@H]([NH3+])CCC[NH3+])c2ccccc12 ZINC001170900007 930699970 /nfs/dbraw/zinc/69/99/70/930699970.db2.gz ZOJILPXSIJQTHB-ZDUSSCGKSA-N 2 0 255.325 1.542 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)CCCn1ccnc1 ZINC001153344754 937439769 /nfs/dbraw/zinc/43/97/69/937439769.db2.gz KBQHKKQLCLSYRP-UHFFFAOYSA-N 2 0 264.373 1.335 20 30 CDEDRP CCOC(=O)c1cc(N[C@H]([NH3+])CCC[NH3+])ccc1C#N ZINC001170905132 930719451 /nfs/dbraw/zinc/71/94/51/930719451.db2.gz SDYFGEZJWIXMHF-ZDUSSCGKSA-N 2 0 276.340 1.171 20 30 CDEDRP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001153727628 937464165 /nfs/dbraw/zinc/46/41/65/937464165.db2.gz FCMJZWARRUCQAN-CVEARBPZSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2nccn21 ZINC001153818876 937473612 /nfs/dbraw/zinc/47/36/12/937473612.db2.gz DPTWBJGCILLNKL-ZIAGYGMSSA-N 2 0 290.411 1.773 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001160003250 931134206 /nfs/dbraw/zinc/13/42/06/931134206.db2.gz FQBXGVVHMVSKSB-UHFFFAOYSA-N 2 0 267.417 1.533 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153828380 937475006 /nfs/dbraw/zinc/47/50/06/937475006.db2.gz KVZQKWOAGWCZNN-CQSZACIVSA-N 2 0 281.444 1.873 20 30 CDEDRP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C#N)cn3)C[C@H]2CC1 ZINC001275032633 931638156 /nfs/dbraw/zinc/63/81/56/931638156.db2.gz XAYHZUWZDJPIOA-GASCZTMLSA-N 2 0 270.380 1.727 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171226740 932039540 /nfs/dbraw/zinc/03/95/40/932039540.db2.gz KGOGVOLQTGNAOK-CQSZACIVSA-N 2 0 267.417 1.390 20 30 CDEDRP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146396917 932243431 /nfs/dbraw/zinc/24/34/31/932243431.db2.gz BTLRIMONXLEUDA-HUUCEWRRSA-N 2 0 297.443 1.158 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146718592 932289264 /nfs/dbraw/zinc/28/92/64/932289264.db2.gz DSAFKPBHDHOPEB-CYBMUJFWSA-N 2 0 255.406 1.389 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147825762 932614156 /nfs/dbraw/zinc/61/41/56/932614156.db2.gz REOKYVDAOPLKRM-OLZOCXBDSA-N 2 0 287.835 1.565 20 30 CDEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148161604 932657874 /nfs/dbraw/zinc/65/78/74/932657874.db2.gz WYWAZXVSWMWILQ-UHFFFAOYSA-N 2 0 291.439 1.439 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086875206 932838036 /nfs/dbraw/zinc/83/80/36/932838036.db2.gz KMXQCFBVANAOEA-SOUVJXGZSA-N 2 0 279.428 1.389 20 30 CDEDRP CC(C)CNC(=[NH2+])NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000303792233 935043329 /nfs/dbraw/zinc/04/33/29/935043329.db2.gz YHYDRGNZIAGUKU-CHWSQXEVSA-N 2 0 270.421 1.046 20 30 CDEDRP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001040401197 935787585 /nfs/dbraw/zinc/78/75/85/935787585.db2.gz YJUVQPHZRRADGF-RDJZCZTQSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001044767407 935869404 /nfs/dbraw/zinc/86/94/04/935869404.db2.gz OFMIAGWFCPZCAH-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]cnc1C)C2 ZINC001096435337 936086565 /nfs/dbraw/zinc/08/65/65/936086565.db2.gz XHWLAHAPBSFPGX-SNPRPXQTSA-N 2 0 286.379 1.005 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001121922531 937890904 /nfs/dbraw/zinc/89/09/04/937890904.db2.gz LEQXOBBZVLUXOD-GJZGRUSLSA-N 2 0 281.444 1.860 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC001121931563 937891636 /nfs/dbraw/zinc/89/16/36/937891636.db2.gz CCIRGRYTXZEVBT-CHWSQXEVSA-N 2 0 253.390 1.126 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157109769 938455134 /nfs/dbraw/zinc/45/51/34/938455134.db2.gz VRUYQQREPSCWDG-CYBMUJFWSA-N 2 0 255.406 1.339 20 30 CDEDRP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158404195 938619420 /nfs/dbraw/zinc/61/94/20/938619420.db2.gz RQFHMCCVMZLPCA-LSDHHAIUSA-N 2 0 297.443 1.015 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001159910983 938759510 /nfs/dbraw/zinc/75/95/10/938759510.db2.gz VNPFIIZVIKWECI-OAHLLOKOSA-N 2 0 281.444 1.921 20 30 CDEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001163820580 939338143 /nfs/dbraw/zinc/33/81/43/939338143.db2.gz GJURDGNSEAVMEK-ZDUSSCGKSA-N 2 0 299.846 1.709 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001166626804 939620744 /nfs/dbraw/zinc/62/07/44/939620744.db2.gz JQVYIBXEEVXHQD-CYBMUJFWSA-N 2 0 253.390 1.143 20 30 CDEDRP C#CCOc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205136276 939826598 /nfs/dbraw/zinc/82/65/98/939826598.db2.gz URGCIBSGRYKGOZ-DZGCQCFKSA-N 2 0 258.365 1.725 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001205490350 939893855 /nfs/dbraw/zinc/89/38/55/939893855.db2.gz BDKIHEZFURWOKG-HNNXBMFYSA-N 2 0 279.428 1.034 20 30 CDEDRP C[C@H]1C[N@H+](Cc2cncc(C#N)c2)CCC[C@H]1C[NH3+] ZINC001206012828 939967185 /nfs/dbraw/zinc/96/71/85/939967185.db2.gz OEJZLCWGXKOOCL-WFASDCNBSA-N 2 0 258.369 1.760 20 30 CDEDRP N#CCOc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206166447 939989969 /nfs/dbraw/zinc/98/99/69/939989969.db2.gz SNWZCNQBSWXULE-CABCVRRESA-N 2 0 277.343 1.850 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001206287507 940012487 /nfs/dbraw/zinc/01/24/87/940012487.db2.gz DFTQWTBUIIKJHN-UHFFFAOYSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208446993 940330885 /nfs/dbraw/zinc/33/08/85/940330885.db2.gz FLEXZZAVFNTGID-AWEZNQCLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208432257 940331152 /nfs/dbraw/zinc/33/11/52/940331152.db2.gz UKWYQXGPUAFPRC-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208492833 940335469 /nfs/dbraw/zinc/33/54/69/940335469.db2.gz QXXWIJOWMMPXKE-QLFBSQMISA-N 2 0 281.444 1.729 20 30 CDEDRP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208530439 940338300 /nfs/dbraw/zinc/33/83/00/940338300.db2.gz VQTPBEOCRIESJT-BZUAXINKSA-N 2 0 295.471 1.975 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001208571943 940342057 /nfs/dbraw/zinc/34/20/57/940342057.db2.gz UNKCLNRVLLJPTA-KFWWJZLASA-N 2 0 281.444 1.729 20 30 CDEDRP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001210529652 940697350 /nfs/dbraw/zinc/69/73/50/940697350.db2.gz YYTDAQOPAWWELM-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217927806 941030551 /nfs/dbraw/zinc/03/05/51/941030551.db2.gz XPRHRHRALPUBBL-QCODTGAPSA-N 2 0 280.412 1.467 20 30 CDEDRP C=C1CC[NH2+]C[C@H]1Oc1ccc2c(c1C)CC[NH2+]C2 ZINC001218206771 941044110 /nfs/dbraw/zinc/04/41/10/941044110.db2.gz NSJMGLRXGMWFRK-MRXNPFEDSA-N 2 0 258.365 1.938 20 30 CDEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001221921811 941555554 /nfs/dbraw/zinc/55/55/54/941555554.db2.gz KOLDQVFDOMBCEY-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)CC[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001225442468 941860922 /nfs/dbraw/zinc/86/09/22/941860922.db2.gz KTMQMBYTQVTCKD-UHFFFAOYSA-N 2 0 293.455 1.877 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228261732 942285552 /nfs/dbraw/zinc/28/55/52/942285552.db2.gz MOESVPGZKMBKRQ-HUUCEWRRSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CC[NH2+]CCN1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001235219361 944097921 /nfs/dbraw/zinc/09/79/21/944097921.db2.gz ZQVXKIOJGUWWAU-JKSUJKDBSA-N 2 0 257.381 1.333 20 30 CDEDRP C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1CCCC[NH3+] ZINC001235635571 944227530 /nfs/dbraw/zinc/22/75/30/944227530.db2.gz FDISIMIGSXDDIL-CQSZACIVSA-N 2 0 278.400 1.261 20 30 CDEDRP C#Cc1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1 ZINC001235998605 944366979 /nfs/dbraw/zinc/36/69/79/944366979.db2.gz ORHBIOYLLADBCA-XYPWUTKMSA-N 2 0 256.349 1.073 20 30 CDEDRP C=CCNCC[N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236571927 944510479 /nfs/dbraw/zinc/51/04/79/944510479.db2.gz KLUOPAUPDOJSII-CTYIDZIISA-N 2 0 251.418 1.886 20 30 CDEDRP C[NH2+]Cc1cc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)ncn1 ZINC001240342839 945794950 /nfs/dbraw/zinc/79/49/50/945794950.db2.gz AHOBSSQXNQLCDX-UHFFFAOYSA-N 2 0 279.347 1.421 20 30 CDEDRP N#Cc1cc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)ccc1N ZINC001244114218 947328059 /nfs/dbraw/zinc/32/80/59/947328059.db2.gz PZGVGLZNALYFGN-UHFFFAOYSA-N 2 0 279.347 1.612 20 30 CDEDRP C[NH+]1CCC(C#N)(N[C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254511512 947473137 /nfs/dbraw/zinc/47/31/37/947473137.db2.gz BHZHWNXJNISMOO-CYBMUJFWSA-N 2 0 250.390 1.048 20 30 CDEDRP CCCCCCCC[C@H](O)C[NH2+]C[C@]12C[NH2+]C[C@H]1COC2 ZINC001245984694 947879526 /nfs/dbraw/zinc/87/95/26/947879526.db2.gz OUJAPXKVAQIQEQ-ULQDDVLXSA-N 2 0 298.471 1.924 20 30 CDEDRP C=C[C@@](C)(O)C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001246031452 947910446 /nfs/dbraw/zinc/91/04/46/947910446.db2.gz IJIVWUHGBNYMKD-HUUCEWRRSA-N 2 0 252.402 1.778 20 30 CDEDRP C=C1C[C@@H]2CC([NH2+]CCN3CC[NH2+]CC3)C[C@H](C1)C2 ZINC001246119139 947970550 /nfs/dbraw/zinc/97/05/50/947970550.db2.gz CQKMUXJFHIXUNO-XYPWUTKMSA-N 2 0 263.429 1.616 20 30 CDEDRP COC(=O)c1ccc(C(=[NH2+])N[C@H]2CC[NH2+]C(C)(C)C2)cc1 ZINC001246305349 948094908 /nfs/dbraw/zinc/09/49/08/948094908.db2.gz PLNTWIMMQBGSSU-ZDUSSCGKSA-N 2 0 289.379 1.709 20 30 CDEDRP [NH2+]=C(NC1CC[NH2+]CC1)c1ccc2ccccc2n1 ZINC001246308355 948097239 /nfs/dbraw/zinc/09/72/39/948097239.db2.gz PZAUCHADKBFLJQ-UHFFFAOYSA-N 2 0 254.337 1.692 20 30 CDEDRP N#CC1(c2ccccc2)CCC([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246586794 948319032 /nfs/dbraw/zinc/31/90/32/948319032.db2.gz UJJWHALEYIQIPB-VNCIIQTRSA-N 2 0 299.418 1.642 20 30 CDEDRP C#CCOC[C@@H](O)C[NH2+]CC1CC[NH+](CC2CCC2)CC1 ZINC001251897094 950932277 /nfs/dbraw/zinc/93/22/77/950932277.db2.gz SHCRKNDZHRQFDH-KRWDZBQOSA-N 2 0 294.439 1.099 20 30 CDEDRP Cc1ccc(C(=[NH2+])NC[C@H](O)C[NH2+]C(C)(C)C)cc1C ZINC001253411924 951896104 /nfs/dbraw/zinc/89/61/04/951896104.db2.gz ZHVSEFSPQFZDTK-AWEZNQCLSA-N 2 0 277.412 1.758 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001493136114 971957251 /nfs/dbraw/zinc/95/72/51/971957251.db2.gz PJOIIDLZDRWJTF-HUUCEWRRSA-N 2 0 281.444 1.729 20 30 CDEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC001335381403 959756071 /nfs/dbraw/zinc/75/60/71/959756071.db2.gz KOZBTEDFTQRLJX-CQSZACIVSA-N 2 0 266.772 1.528 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC001340296350 962869361 /nfs/dbraw/zinc/86/93/61/962869361.db2.gz HUSDPAAGETWKSV-HOTGVXAUSA-N 2 0 287.407 1.673 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC001357443488 969589818 /nfs/dbraw/zinc/58/98/18/969589818.db2.gz BDFUKLNVEUACJW-OCCSQVGLSA-N 2 0 253.390 1.176 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001401176083 975495737 /nfs/dbraw/zinc/49/57/37/975495737.db2.gz RFDYGRMZLJJMKD-ZDUSSCGKSA-N 2 0 299.846 1.852 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001380066826 976228301 /nfs/dbraw/zinc/22/83/01/976228301.db2.gz INVXPVLRJYALIJ-LLVKDONJSA-N 2 0 271.792 1.072 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283901 1163223310 /nfs/dbraw/zinc/22/33/10/1163223310.db2.gz NTXVZIVVCQSDEA-CQSZACIVSA-N 2 0 281.444 1.921 20 30 CDEDRP CN(C)c1ccc(C#N)cc1C[NH+]1CC2(C1)CC[NH2+]CC2 ZINC001578424459 1171905081 /nfs/dbraw/zinc/90/50/81/1171905081.db2.gz HHFOIMBCWHLKQQ-UHFFFAOYSA-N 2 0 284.407 1.810 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccsc1 ZINC000170903927 342524805 /nfs/dbraw/zinc/52/48/05/342524805.db2.gz OWXBMNBYFPZFFR-CYBMUJFWSA-N 2 0 280.441 1.679 20 30 CDEDRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000192828387 282098220 /nfs/dbraw/zinc/09/82/20/282098220.db2.gz CSVQVHIHVZHBAG-IAGOWNOFSA-N 2 0 292.471 1.932 20 30 CDEDRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@H](C#N)CCC#N)C2)CC1 ZINC000591736727 342645019 /nfs/dbraw/zinc/64/50/19/342645019.db2.gz KLUCYJFKACIUNH-GJZGRUSLSA-N 2 0 289.427 1.188 20 30 CDEDRP N#Cc1cccc(C[NH+]2CCC(N[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000593320381 342788199 /nfs/dbraw/zinc/78/81/99/342788199.db2.gz HLTLMBTXPDBFIC-GOSISDBHSA-N 2 0 298.434 1.864 20 30 CDEDRP C[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[N@@H+]1CCCC[C@H]1C ZINC000594441774 342907695 /nfs/dbraw/zinc/90/76/95/342907695.db2.gz WRCXOSKWFAEDJC-RBSFLKMASA-N 2 0 294.443 1.777 20 30 CDEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCC#N)CC1 ZINC000595521298 343088254 /nfs/dbraw/zinc/08/82/54/343088254.db2.gz AFLBEFAOXKEANS-UHFFFAOYSA-N 2 0 252.406 1.296 20 30 CDEDRP C=CCCSCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000596649244 343370761 /nfs/dbraw/zinc/37/07/61/343370761.db2.gz DDJASXGSODDFRI-RWMBFGLXSA-N 2 0 258.431 1.638 20 30 CDEDRP CO[C@H]1CN(CCc2ccc(C#N)cc2)[C@](C)(C[NH3+])C1 ZINC000600888160 349889383 /nfs/dbraw/zinc/88/93/83/349889383.db2.gz ZCMLPFWXNIJSPB-CVEARBPZSA-N 2 0 273.380 1.539 20 30 CDEDRP C[C@@H](CNC(=[NH2+])Nc1ccccc1)N1CC[NH+](C)CC1 ZINC000264071849 362958072 /nfs/dbraw/zinc/95/80/72/362958072.db2.gz DMAYHDDXQGWSLR-ZDUSSCGKSA-N 2 0 275.400 1.049 20 30 CDEDRP C[NH+](C)CCCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000264091719 362964079 /nfs/dbraw/zinc/96/40/79/362964079.db2.gz LFIJJKOFEJMQPW-UHFFFAOYSA-N 2 0 260.385 1.854 20 30 CDEDRP COc1ccc(NC(=[NH2+])NCCN(C)C2CC2)cc1OC ZINC000264130605 362974540 /nfs/dbraw/zinc/97/45/40/362974540.db2.gz XVSMAGXHVOCCFW-UHFFFAOYSA-N 2 0 292.383 1.525 20 30 CDEDRP C[N@@H+]1CC[C@]2(CCN(Cc3ccnc(C#N)c3)C2)C1 ZINC000311579283 350695482 /nfs/dbraw/zinc/69/54/82/350695482.db2.gz WOLWCFGBZCPPNT-HNNXBMFYSA-N 2 0 256.353 1.481 20 30 CDEDRP C[NH+](C)CCCOc1ccc(CNC(=[NH2+])NC2CC2)cc1 ZINC000264259099 363012897 /nfs/dbraw/zinc/01/28/97/363012897.db2.gz IYRWNUZJMYKSAR-UHFFFAOYSA-N 2 0 290.411 1.584 20 30 CDEDRP C#C[C@@](C)(CC)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000328597260 359662450 /nfs/dbraw/zinc/66/24/50/359662450.db2.gz GHEUEAINMLFRGE-INIZCTEOSA-N 2 0 265.445 1.794 20 30 CDEDRP C=CCOCCC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000348031795 359782082 /nfs/dbraw/zinc/78/20/82/359782082.db2.gz KXCOWVNMFNENCC-INIZCTEOSA-N 2 0 295.471 1.679 20 30 CDEDRP CN(C)C(=[NH2+])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000170911757 365161151 /nfs/dbraw/zinc/16/11/51/365161151.db2.gz RZBPCEJZGYZFPG-UHFFFAOYSA-N 2 0 260.385 1.659 20 30 CDEDRP CN1CC[NH+]=C1NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000262686872 370448691 /nfs/dbraw/zinc/44/86/91/370448691.db2.gz YQXKIHSODVEUTJ-UHFFFAOYSA-N 2 0 286.423 1.790 20 30 CDEDRP C[C@H](CCN1CCOCC1)[NH2+]Cc1cc(C#N)cs1 ZINC000347766373 372331671 /nfs/dbraw/zinc/33/16/71/372331671.db2.gz BLRLFJQFVNSRDK-GFCCVEGCSA-N 2 0 279.409 1.820 20 30 CDEDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC1 ZINC000369278093 374349391 /nfs/dbraw/zinc/34/93/91/374349391.db2.gz PBZKNJAPHGNXSO-QGZVFWFLSA-N 2 0 298.434 1.816 20 30 CDEDRP C[C@@H](NC[C@@H]1C[NH2+]CCN1C)c1cccc(C#N)c1 ZINC000423517190 374388230 /nfs/dbraw/zinc/38/82/30/374388230.db2.gz OCGZMXDJJNYQQI-DOMZBBRYSA-N 2 0 258.369 1.112 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2cncc2C1 ZINC000328948005 376018042 /nfs/dbraw/zinc/01/80/42/376018042.db2.gz WARJAKDRZZOEIO-QWHCGFSZSA-N 2 0 276.384 1.886 20 30 CDEDRP C=CCNC(=O)[C@H](C)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246509863 376928091 /nfs/dbraw/zinc/92/80/91/376928091.db2.gz IEQPLBRPJWFKFI-LZWOXQAQSA-N 2 0 291.439 1.626 20 30 CDEDRP C=CCC[C@H](O)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000246645942 376963446 /nfs/dbraw/zinc/96/34/46/376963446.db2.gz CMXQIJXZZBEFEN-CVEARBPZSA-N 2 0 281.444 1.025 20 30 CDEDRP C[NH2+]CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423223050 390824907 /nfs/dbraw/zinc/82/49/07/390824907.db2.gz DQEBOEOKLCTWBD-UHFFFAOYSA-N 2 0 272.396 1.332 20 30 CDEDRP C=CCC[C@H](O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374423717 391162645 /nfs/dbraw/zinc/16/26/45/391162645.db2.gz XDBBLVVNXZIZGV-QKPAOTATSA-N 2 0 282.428 1.497 20 30 CDEDRP C[NH+]=C(NCc1cccn1C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261966492 391743584 /nfs/dbraw/zinc/74/35/84/391743584.db2.gz LOLDSJXSLNCQOO-DZGCQCFKSA-N 2 0 291.443 1.419 20 30 CDEDRP CCN1CC[NH+](CCCC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442724356 391748070 /nfs/dbraw/zinc/74/80/70/391748070.db2.gz ZHCQOTVYWMMBRQ-CVEARBPZSA-N 2 0 278.444 1.686 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1COc2ccccc21 ZINC000262663773 391809270 /nfs/dbraw/zinc/80/92/70/391809270.db2.gz MNUPOTDSRBWUOF-GXTWGEPZSA-N 2 0 288.395 1.509 20 30 CDEDRP CC[NH+](CC)CCOc1ccccc1CNC(NC)=[NH+]C ZINC000264112598 262873466 /nfs/dbraw/zinc/87/34/66/262873466.db2.gz RKYRRMVRDMYRFY-UHFFFAOYSA-N 2 0 292.427 1.702 20 30 CDEDRP C=CCNC(=[NH2+])NCc1ccncc1OCCC[NH+](C)C ZINC000288742590 263105857 /nfs/dbraw/zinc/10/58/57/263105857.db2.gz PJEVROMEZJPCME-UHFFFAOYSA-N 2 0 291.399 1.002 20 30 CDEDRP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000330727329 264026650 /nfs/dbraw/zinc/02/66/50/264026650.db2.gz GCKUAMCVBLBAAW-CYBMUJFWSA-N 2 0 280.416 1.021 20 30 CDEDRP C#CC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001673960599 1173901946 /nfs/dbraw/zinc/90/19/46/1173901946.db2.gz GBWKARWKOLDPON-AWEZNQCLSA-N 2 0 279.428 1.177 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCC[NH+](CC)CC)CC1 ZINC000171694995 329078606 /nfs/dbraw/zinc/07/86/06/329078606.db2.gz JVJDTACASKRYFQ-UHFFFAOYSA-N 2 0 282.432 1.278 20 30 CDEDRP COCC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185777096 329331584 /nfs/dbraw/zinc/33/15/84/329331584.db2.gz CIPXSMPHUKSIDQ-KBPBESRZSA-N 2 0 253.390 1.627 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[C@@H](COC)C1 ZINC000262451649 330013926 /nfs/dbraw/zinc/01/39/26/330013926.db2.gz JZTIVFNTRMILJP-UONOGXRCSA-N 2 0 294.443 1.014 20 30 CDEDRP C[C@@H]1C[NH+]=C(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)N1 ZINC000262682525 330026735 /nfs/dbraw/zinc/02/67/35/330026735.db2.gz WWGKYJQJQJWEFU-OCCSQVGLSA-N 2 0 264.417 1.721 20 30 CDEDRP COC1CC[NH+](C2(CNC3=[NH+]C[C@H](C)N3)CCCC2)CC1 ZINC000262689520 330027490 /nfs/dbraw/zinc/02/74/90/330027490.db2.gz ZSBHPXUOZQUROA-ZDUSSCGKSA-N 2 0 294.443 1.347 20 30 CDEDRP CCC(O)(CC)CNC(=[NH+]C)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262798708 330032248 /nfs/dbraw/zinc/03/22/48/330032248.db2.gz QIMBZURSHMTRBH-AWEZNQCLSA-N 2 0 294.443 1.059 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H](OC)C12CCC2 ZINC000263176767 330047378 /nfs/dbraw/zinc/04/73/78/330047378.db2.gz SUVLUXQHTPOZDZ-MCIONIFRSA-N 2 0 294.443 1.333 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CCC1(C)C ZINC000263190204 330048340 /nfs/dbraw/zinc/04/83/40/330048340.db2.gz YDMMMXRZWLOXPO-NWDGAFQWSA-N 2 0 252.406 1.564 20 30 CDEDRP C=C(C)C[NH+]1CCC(N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422981573 330162422 /nfs/dbraw/zinc/16/24/22/330162422.db2.gz SXTICLSPNQGTLI-ZFWWWQNUSA-N 2 0 251.418 1.615 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000424078847 330221382 /nfs/dbraw/zinc/22/13/82/330221382.db2.gz QKQPQSKBSRMELT-CHWSQXEVSA-N 2 0 266.389 1.031 20 30 CDEDRP CCC[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424132093 330264429 /nfs/dbraw/zinc/26/44/29/330264429.db2.gz KGQOEKXCLDARSZ-CQSZACIVSA-N 2 0 280.416 1.340 20 30 CDEDRP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424136377 330272369 /nfs/dbraw/zinc/27/23/69/330272369.db2.gz AMOYCFVMMIHODP-MCIONIFRSA-N 2 0 278.400 1.093 20 30 CDEDRP CCCNC(=[NH2+])NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195291842 331166794 /nfs/dbraw/zinc/16/67/94/331166794.db2.gz YOFFTKDQMVFYMO-OAHLLOKOSA-N 2 0 274.412 1.823 20 30 CDEDRP CNC(NCC1CC[NH+](Cc2ccccc2)CC1)=[NH+]C ZINC000195523151 331174853 /nfs/dbraw/zinc/17/48/53/331174853.db2.gz ZLAPHODGIGJBKI-UHFFFAOYSA-N 2 0 274.412 1.693 20 30 CDEDRP C#CCNC(=O)CC[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000491122612 332152914 /nfs/dbraw/zinc/15/29/14/332152914.db2.gz WYJZHDQKCYHVQE-DOTOQJQBSA-N 2 0 285.391 1.161 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)NCCC[NH+]1CCCCC1 ZINC000491670283 332277575 /nfs/dbraw/zinc/27/75/75/332277575.db2.gz DICBKHBNWXZOFT-UHFFFAOYSA-N 2 0 294.443 1.117 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000494707950 332484210 /nfs/dbraw/zinc/48/42/10/332484210.db2.gz IIJFZCDGSQCCBB-CYBMUJFWSA-N 2 0 265.401 1.285 20 30 CDEDRP CN1CC[NH+]=C1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261543088 334195723 /nfs/dbraw/zinc/19/57/23/334195723.db2.gz HKIDOARYZRMXMC-OAHLLOKOSA-N 2 0 272.396 1.400 20 30 CDEDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000069681201 521694114 /nfs/dbraw/zinc/69/41/14/521694114.db2.gz AMXFYQNZGXVCOA-OAHLLOKOSA-N 2 0 286.423 1.674 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001113671988 1162253999 /nfs/dbraw/zinc/25/39/99/1162253999.db2.gz KVLOSUCEXHPHJQ-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000037229194 525340028 /nfs/dbraw/zinc/34/00/28/525340028.db2.gz UAPJDJBJRXBNPN-HNNXBMFYSA-N 2 0 286.423 1.846 20 30 CDEDRP COc1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)ccc1C#N ZINC000415027503 536809646 /nfs/dbraw/zinc/80/96/46/536809646.db2.gz AZBMOHVPKZNUHS-SMDDNHRTSA-N 2 0 259.353 1.784 20 30 CDEDRP C#CCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000760866451 576519128 /nfs/dbraw/zinc/51/91/28/576519128.db2.gz IODXBFXFXMMHSO-UHFFFAOYSA-N 2 0 263.429 1.500 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000969956508 612963025 /nfs/dbraw/zinc/96/30/25/612963025.db2.gz XOCAQHXHDOQDSC-CZUORRHYSA-N 2 0 295.402 1.023 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000947496607 613256801 /nfs/dbraw/zinc/25/68/01/613256801.db2.gz CDUDGWGZUDBAGY-CABCVRRESA-N 2 0 289.423 1.217 20 30 CDEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000969701652 613299145 /nfs/dbraw/zinc/29/91/45/613299145.db2.gz XNFRCRFATOKVHJ-UMVBOHGHSA-N 2 0 279.428 1.339 20 30 CDEDRP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000974603063 613621697 /nfs/dbraw/zinc/62/16/97/613621697.db2.gz BGMBFGBOSMBLFN-KFWWJZLASA-N 2 0 291.439 1.177 20 30 CDEDRP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC000982013527 613679871 /nfs/dbraw/zinc/67/98/71/613679871.db2.gz UMGGLGWOUVEBTJ-HUUCEWRRSA-N 2 0 291.439 1.295 20 30 CDEDRP C#CCN(C)CCC[NH2+]C[C@H](OC)C1CCCC1 ZINC000894863785 619107236 /nfs/dbraw/zinc/10/72/36/619107236.db2.gz SJNSGMLPLFURIQ-HNNXBMFYSA-N 2 0 252.402 1.736 20 30 CDEDRP CC#CC[C@H](CO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000895131145 619329835 /nfs/dbraw/zinc/32/98/35/619329835.db2.gz GLIDKYZKLCUSLZ-MRXNPFEDSA-N 2 0 266.429 1.861 20 30 CDEDRP O=C1[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCN1O ZINC000895158925 619375074 /nfs/dbraw/zinc/37/50/74/619375074.db2.gz QVOXKQIGAKISSL-CQSZACIVSA-N 2 0 290.367 1.020 20 30 CDEDRP C#CC[C@@H](CCOC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000895672765 619798037 /nfs/dbraw/zinc/79/80/37/619798037.db2.gz XFFZZMJOWBZBNU-AVOUXACISA-N 2 0 250.386 1.630 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000928656749 620399542 /nfs/dbraw/zinc/39/95/42/620399542.db2.gz CLSBKYXNRJIJKK-HNNXBMFYSA-N 2 0 277.412 1.075 20 30 CDEDRP C[N@H+](CCCCC1(C#N)CCC1)CCN1CC[NH2+]CC1 ZINC000903715965 626070179 /nfs/dbraw/zinc/07/01/79/626070179.db2.gz DDSFKJAEVOAJOM-UHFFFAOYSA-N 2 0 278.444 1.688 20 30 CDEDRP N#CC1(CCCC[N@@H+]2CCCO[C@H](C[NH3+])C2)CCC1 ZINC000903759962 626081513 /nfs/dbraw/zinc/08/15/13/626081513.db2.gz CNBCACYGVAGVPE-CQSZACIVSA-N 2 0 265.401 1.900 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000913520881 630526676 /nfs/dbraw/zinc/52/66/76/630526676.db2.gz BPIXUEABBOYVIK-UHFFFAOYSA-N 2 0 279.428 1.322 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)C[C@@H](C)n2ccnc2)CC1 ZINC001167354724 1158635960 /nfs/dbraw/zinc/63/59/60/1158635960.db2.gz WVKXFEVIQAAGHX-CQSZACIVSA-N 2 0 288.395 1.344 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N(CCCOC)C1CC[NH+](C)CC1 ZINC000794041791 1162457272 /nfs/dbraw/zinc/45/72/72/1162457272.db2.gz KHTBJFGSKCGCEI-UHFFFAOYSA-N 2 0 297.443 1.064 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130709056 1162697605 /nfs/dbraw/zinc/69/76/05/1162697605.db2.gz RRHGRSOEXXXYID-AWEZNQCLSA-N 2 0 267.417 1.389 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001270293223 1160100933 /nfs/dbraw/zinc/10/09/33/1160100933.db2.gz LMUKWYJPNNKDHR-CABCVRRESA-N 2 0 281.444 1.729 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001086198386 1161966525 /nfs/dbraw/zinc/96/65/25/1161966525.db2.gz ROCGLWVESPRGSE-KBXIAJHMSA-N 2 0 279.428 1.245 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001133274441 1163622514 /nfs/dbraw/zinc/62/25/14/1163622514.db2.gz IDXHETBSKKVWHU-HOTGVXAUSA-N 2 0 293.455 1.426 20 30 CDEDRP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158857212 1163673074 /nfs/dbraw/zinc/67/30/74/1163673074.db2.gz XHCPWKLSOBGETR-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[NH2+]CC1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001717386556 1180642944 /nfs/dbraw/zinc/64/29/44/1180642944.db2.gz OLLOYTFPKQIXRI-NRXISQOPSA-N 2 0 281.444 1.633 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001732960214 1183206067 /nfs/dbraw/zinc/20/60/67/1183206067.db2.gz OEHVFGXIBPKJIP-KGLIPLIRSA-N 2 0 267.417 1.531 20 30 CDEDRP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001752158193 1184827212 /nfs/dbraw/zinc/82/72/12/1184827212.db2.gz UNTCOADXCGZOIZ-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[N@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001752181803 1184832000 /nfs/dbraw/zinc/83/20/00/1184832000.db2.gz LLTQIBBZXHBJJX-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001752470559 1184868170 /nfs/dbraw/zinc/86/81/70/1184868170.db2.gz HHZQUMILQPUYEX-HOTGVXAUSA-N 2 0 291.439 1.224 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001752880536 1184947286 /nfs/dbraw/zinc/94/72/86/1184947286.db2.gz UZVBJFBMGQJCDM-GFCCVEGCSA-N 2 0 253.390 1.141 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001753130581 1185077494 /nfs/dbraw/zinc/07/74/94/1185077494.db2.gz FQIAAAQTDWSWGK-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001753501548 1185238935 /nfs/dbraw/zinc/23/89/35/1185238935.db2.gz POFJGSLHKYMHJF-AWEZNQCLSA-N 2 0 279.428 1.675 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001753585550 1185259341 /nfs/dbraw/zinc/25/93/41/1185259341.db2.gz IYCKUMAKLSFQFK-SHTZXODSSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001753766414 1185330600 /nfs/dbraw/zinc/33/06/00/1185330600.db2.gz JKYGAEZOJVPDDR-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001754325158 1185577607 /nfs/dbraw/zinc/57/76/07/1185577607.db2.gz JSKCSJPLGCUANR-ZIAGYGMSSA-N 2 0 267.417 1.177 20 30 CDEDRP CC#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001755355418 1185926486 /nfs/dbraw/zinc/92/64/86/1185926486.db2.gz FORAPXDOSWUBMV-HNNXBMFYSA-N 2 0 291.439 1.370 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001755765824 1186060669 /nfs/dbraw/zinc/06/06/69/1186060669.db2.gz XPUKTPGTIOJXBM-LSDHHAIUSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001755765823 1186061100 /nfs/dbraw/zinc/06/11/00/1186061100.db2.gz XPUKTPGTIOJXBM-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001091066129 1164253882 /nfs/dbraw/zinc/25/38/82/1164253882.db2.gz NMQUQBHCYMWWNN-PCKAHOCUSA-N 2 0 291.439 1.082 20 30 CDEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])NCCc1ccccc1 ZINC000303980205 753895230 /nfs/dbraw/zinc/89/52/30/753895230.db2.gz NWBYKDTXMKIFPB-CQSZACIVSA-N 2 0 276.428 1.864 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001020161686 754007803 /nfs/dbraw/zinc/00/78/03/754007803.db2.gz LRVKNWUJXNGTIZ-RBSFLKMASA-N 2 0 277.412 1.141 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001075107238 754020461 /nfs/dbraw/zinc/02/04/61/754020461.db2.gz WRQSYIGKTNAYSV-MJBXVCDLSA-N 2 0 265.401 1.093 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000303779360 754025780 /nfs/dbraw/zinc/02/57/80/754025780.db2.gz KKKDTKIQXIJARQ-AWEZNQCLSA-N 2 0 284.448 1.438 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001008300137 754066668 /nfs/dbraw/zinc/06/66/68/754066668.db2.gz VVKNIYRCZTXUHG-SOUVJXGZSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CCOC ZINC000852749288 754069582 /nfs/dbraw/zinc/06/95/82/754069582.db2.gz VBWMPBXMGBXUCG-UHFFFAOYSA-N 2 0 295.471 1.374 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001031802867 754186751 /nfs/dbraw/zinc/18/67/51/754186751.db2.gz XCVXPRYINGOZKJ-HNNXBMFYSA-N 2 0 279.428 1.341 20 30 CDEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001016977123 754217053 /nfs/dbraw/zinc/21/70/53/754217053.db2.gz RTAAVIBQDIQAHA-HNNXBMFYSA-N 2 0 289.423 1.076 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001026100130 754222850 /nfs/dbraw/zinc/22/28/50/754222850.db2.gz YPCBHAXJZPMQNJ-OWYFMNJBSA-N 2 0 289.423 1.236 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001022584806 754337350 /nfs/dbraw/zinc/33/73/50/754337350.db2.gz GNMWMEGTMQBSKZ-KFWWJZLASA-N 2 0 279.428 1.531 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000999876583 754407841 /nfs/dbraw/zinc/40/78/41/754407841.db2.gz ONFQLEYHQXRXNM-YMAMQOFZSA-N 2 0 277.412 1.073 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001014628569 754467763 /nfs/dbraw/zinc/46/77/63/754467763.db2.gz IYDGYHBCXZYDRU-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCCN(C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790388260 754469533 /nfs/dbraw/zinc/46/95/33/754469533.db2.gz OMRDKCKQNSMDHD-HNNXBMFYSA-N 2 0 279.384 1.368 20 30 CDEDRP C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001032479818 754544478 /nfs/dbraw/zinc/54/44/78/754544478.db2.gz QHQJSCWUHLSDTO-KKUMJFAQSA-N 2 0 277.412 1.332 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC000996378482 754799239 /nfs/dbraw/zinc/79/92/39/754799239.db2.gz HTHBLRPFUNQDJV-HNNXBMFYSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[N@H+]1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001001373404 754830372 /nfs/dbraw/zinc/83/03/72/754830372.db2.gz JAHGJJCQTLVRNJ-UHFFFAOYSA-N 2 0 289.423 1.407 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001003252453 754856773 /nfs/dbraw/zinc/85/67/73/754856773.db2.gz UFXQRZIVBNTAIE-UHFFFAOYSA-N 2 0 296.374 1.552 20 30 CDEDRP C#CCCNC(N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)=[NH+]CC ZINC000261967925 754952480 /nfs/dbraw/zinc/95/24/80/754952480.db2.gz LYNYVXAYJUMYQY-TZMCWYRMSA-N 2 0 262.401 1.048 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014715420 755049976 /nfs/dbraw/zinc/04/99/76/755049976.db2.gz CEYCXQPYQMCRKS-HUUCEWRRSA-N 2 0 279.428 1.341 20 30 CDEDRP CC(C)[NH+](CCNC(=[NH2+])NC[C@H]1CCCO1)C(C)C ZINC000195522194 755073409 /nfs/dbraw/zinc/07/34/09/755073409.db2.gz KUTCBURSJVVYPA-CYBMUJFWSA-N 2 0 270.421 1.189 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001019383593 755232715 /nfs/dbraw/zinc/23/27/15/755232715.db2.gz IJVIBRWCKDZQLT-BBRMVZONSA-N 2 0 297.418 1.575 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)c2cccc3nccn32)C[C@H]1C ZINC001054895384 755270073 /nfs/dbraw/zinc/27/00/73/755270073.db2.gz DUPCVTRBQGEZBP-KGLIPLIRSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000996867495 755284766 /nfs/dbraw/zinc/28/47/66/755284766.db2.gz KCEVXCPZSCUDOY-UHFFFAOYSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[C@H](CO)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000717726231 755341964 /nfs/dbraw/zinc/34/19/64/755341964.db2.gz AXUQFCDTMJOVIH-CQSZACIVSA-N 2 0 259.353 1.024 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001028335316 755353814 /nfs/dbraw/zinc/35/38/14/755353814.db2.gz SEHMQBKIZGDQRR-MRXNPFEDSA-N 2 0 299.418 1.576 20 30 CDEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCO[C@@H](C)C#N)[C@@H](C)C1 ZINC000801943174 755355075 /nfs/dbraw/zinc/35/50/75/755355075.db2.gz MNWSLDXNQDHARJ-JYJNAYRXSA-N 2 0 297.443 1.642 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033582763 755485061 /nfs/dbraw/zinc/48/50/61/755485061.db2.gz QMEOWEMTAIARLD-KGLIPLIRSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001033413191 755530356 /nfs/dbraw/zinc/53/03/56/755530356.db2.gz FAGQGMLSFNRLDS-CHWSQXEVSA-N 2 0 288.395 1.548 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034401011 755599336 /nfs/dbraw/zinc/59/93/36/755599336.db2.gz ZTLWPHRXESULPJ-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[C@@H]1CCCCO1 ZINC000305802859 755619819 /nfs/dbraw/zinc/61/98/19/755619819.db2.gz FEXYIAWMOLOZCZ-CABCVRRESA-N 2 0 296.459 1.724 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001034738661 755680321 /nfs/dbraw/zinc/68/03/21/755680321.db2.gz VINYUQQAKDWVCS-YHUYYLMFSA-N 2 0 293.455 1.777 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001034012637 755780803 /nfs/dbraw/zinc/78/08/03/755780803.db2.gz IIRXGTHAVMZISD-AWEZNQCLSA-N 2 0 277.412 1.191 20 30 CDEDRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)CC1(C#N)CCC1)C2 ZINC000886220333 756078951 /nfs/dbraw/zinc/07/89/51/756078951.db2.gz GOOUAGGTHMQODS-DOTOQJQBSA-N 2 0 291.439 1.849 20 30 CDEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923361984 756193071 /nfs/dbraw/zinc/19/30/71/756193071.db2.gz JNLRPNQVSJIHFP-KFWWJZLASA-N 2 0 252.402 1.635 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CC1(C)C ZINC000996313529 756230955 /nfs/dbraw/zinc/23/09/55/756230955.db2.gz DPNHZZXNIYKKRL-STQMWFEESA-N 2 0 267.417 1.339 20 30 CDEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001034750032 756277666 /nfs/dbraw/zinc/27/76/66/756277666.db2.gz RURQFXMADVYQNW-WKILWMFISA-N 2 0 291.439 1.369 20 30 CDEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001039312577 756328992 /nfs/dbraw/zinc/32/89/92/756328992.db2.gz SQAVQCYDSQRVKY-MQVJKMGUSA-N 2 0 289.423 1.217 20 30 CDEDRP C#CC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071872232 756359119 /nfs/dbraw/zinc/35/91/19/756359119.db2.gz MKAXEPADRWZLCH-GDBMZVCRSA-N 2 0 291.439 1.321 20 30 CDEDRP C[NH+]=C(NCC(C)(C)C[NH+]1CCCC1)NC1CC1 ZINC000849021757 756387020 /nfs/dbraw/zinc/38/70/20/756387020.db2.gz GHTYGTAZLNHUJO-UHFFFAOYSA-N 2 0 252.406 1.436 20 30 CDEDRP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001052712284 756570916 /nfs/dbraw/zinc/57/09/16/756570916.db2.gz GPZWZPROIOHFFV-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001000430912 756574447 /nfs/dbraw/zinc/57/44/47/756574447.db2.gz WMKJETTXYMIIQX-STQMWFEESA-N 2 0 276.384 1.355 20 30 CDEDRP CCCCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000303897921 756603696 /nfs/dbraw/zinc/60/36/96/756603696.db2.gz QVIQVQCYJWNYOF-CHWSQXEVSA-N 2 0 254.422 1.954 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000838621828 756679141 /nfs/dbraw/zinc/67/91/41/756679141.db2.gz DUXKTEIMVVSROH-HNNXBMFYSA-N 2 0 294.443 1.067 20 30 CDEDRP CC[C@H](CNC(=[NH2+])NCCC(C)C)[NH+]1CCCC1 ZINC000303900217 756722992 /nfs/dbraw/zinc/72/29/92/756722992.db2.gz SDGRSLDRIICSTF-CYBMUJFWSA-N 2 0 254.422 1.811 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001000005695 756753840 /nfs/dbraw/zinc/75/38/40/756753840.db2.gz JTURPXZJMLOGMH-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C(C)C ZINC000841008332 756783509 /nfs/dbraw/zinc/78/35/09/756783509.db2.gz XOOHHDVUWNTZIS-ZDUSSCGKSA-N 2 0 253.390 1.080 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001015002214 756806006 /nfs/dbraw/zinc/80/60/06/756806006.db2.gz YYCUDPOJYHBGDF-ZIAGYGMSSA-N 2 0 288.395 1.212 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001054829774 756874390 /nfs/dbraw/zinc/87/43/90/756874390.db2.gz JBCAUKKIFZVPSN-BLLLJJGKSA-N 2 0 296.374 1.326 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001001265382 756895402 /nfs/dbraw/zinc/89/54/02/756895402.db2.gz SBPHWFBONNYNSX-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001018855226 756897838 /nfs/dbraw/zinc/89/78/38/756897838.db2.gz SQNRPBZNOFBFDF-GJZGRUSLSA-N 2 0 277.412 1.095 20 30 CDEDRP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001007327187 756912969 /nfs/dbraw/zinc/91/29/69/756912969.db2.gz LQDVMIMMVASJBV-JKSUJKDBSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC000995824823 756955600 /nfs/dbraw/zinc/95/56/00/756955600.db2.gz LGNQQYWFOSKXKK-MGPQQGTHSA-N 2 0 279.428 1.339 20 30 CDEDRP C=C(C)C[N@H+]1CCCN(C(=O)CCc2cncn2C)CC1 ZINC000989584550 757014809 /nfs/dbraw/zinc/01/48/09/757014809.db2.gz CQNRELTVUQJMLP-UHFFFAOYSA-N 2 0 290.411 1.463 20 30 CDEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001027928618 757151512 /nfs/dbraw/zinc/15/15/12/757151512.db2.gz ULHPQHZCWQAXKO-HOTGVXAUSA-N 2 0 293.455 1.731 20 30 CDEDRP C[C@@](C[NH3+])([NH2+]C[C@H](O)COc1ccccc1C#N)C1CC1 ZINC000923296424 757226370 /nfs/dbraw/zinc/22/63/70/757226370.db2.gz RQGJPVLXTDLKND-HOCLYGCPSA-N 2 0 289.379 1.015 20 30 CDEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001035669480 757332724 /nfs/dbraw/zinc/33/27/24/757332724.db2.gz RQEFNLSQMYHJKB-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001000187328 757351162 /nfs/dbraw/zinc/35/11/62/757351162.db2.gz WXMVIUNYLQQJIU-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000985469089 757390792 /nfs/dbraw/zinc/39/07/92/757390792.db2.gz DDEVKNYBENCTHR-UHFFFAOYSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC000986357963 757515490 /nfs/dbraw/zinc/51/54/90/757515490.db2.gz VCFUCWUHLQAMLS-GXTWGEPZSA-N 2 0 265.401 1.236 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003083 757841074 /nfs/dbraw/zinc/84/10/74/757841074.db2.gz AQKNWCFTSONZDU-CQSZACIVSA-N 2 0 277.412 1.239 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015796372 757865070 /nfs/dbraw/zinc/86/50/70/757865070.db2.gz LOMCELDZGGBNQI-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC ZINC001037860061 758087061 /nfs/dbraw/zinc/08/70/61/758087061.db2.gz MRIDPZSBIQEYDJ-GDBMZVCRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)Cc2[nH]cnc2C)C1 ZINC001044232534 758247477 /nfs/dbraw/zinc/24/74/77/758247477.db2.gz KXXATELJMDKMBW-UHFFFAOYSA-N 2 0 276.384 1.369 20 30 CDEDRP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000923361168 758399684 /nfs/dbraw/zinc/39/96/84/758399684.db2.gz DSYXWZBQWXZHCB-OKZBNKHCSA-N 2 0 299.418 1.913 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000863883841 758569953 /nfs/dbraw/zinc/56/99/53/758569953.db2.gz PBUDQLDRPVUCND-UHFFFAOYSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999188860 758575648 /nfs/dbraw/zinc/57/56/48/758575648.db2.gz DVLJVWWBCFLCKB-MGPQQGTHSA-N 2 0 265.401 1.093 20 30 CDEDRP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NC(C)C ZINC000303895544 758726225 /nfs/dbraw/zinc/72/62/25/758726225.db2.gz TYSYCZYKAPSIEX-ZDUSSCGKSA-N 2 0 254.422 1.954 20 30 CDEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001095242174 912679762 /nfs/dbraw/zinc/67/97/62/912679762.db2.gz HPTIVDUWEQHUSE-UGUYLWEFSA-N 2 0 291.439 1.768 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127260315 913315967 /nfs/dbraw/zinc/31/59/67/913315967.db2.gz BFGDLKUQNVJEPO-HUUCEWRRSA-N 2 0 279.428 1.533 20 30 CDEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175265551 913518365 /nfs/dbraw/zinc/51/83/65/913518365.db2.gz ZTAGETQZKCKQQH-HZPDHXFCSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249874 913719483 /nfs/dbraw/zinc/71/94/83/913719483.db2.gz UHQUOURVEGNCMU-FVQBIDKESA-N 2 0 293.455 1.587 20 30 CDEDRP C=CCCCCC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176058670 913943147 /nfs/dbraw/zinc/94/31/47/913943147.db2.gz ZQNHXPMIDCJESB-OAHLLOKOSA-N 2 0 281.444 1.780 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176285988 914016879 /nfs/dbraw/zinc/01/68/79/914016879.db2.gz SAFILAZDLOLDLK-OAHLLOKOSA-N 2 0 281.444 1.616 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167626554 897095351 /nfs/dbraw/zinc/09/53/51/897095351.db2.gz DCOLSXKPKBWKFO-OAHLLOKOSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CC[NH2+]CCN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235422317 914215938 /nfs/dbraw/zinc/21/59/38/914215938.db2.gz BFABJNXJKWCZEM-CABCVRRESA-N 2 0 251.418 1.474 20 30 CDEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001104812439 899533409 /nfs/dbraw/zinc/53/34/09/899533409.db2.gz PBTYIWVKGNVHGO-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001104938004 899688299 /nfs/dbraw/zinc/68/82/99/899688299.db2.gz MOYYKAZHKHTBBU-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001167746773 899963818 /nfs/dbraw/zinc/96/38/18/899963818.db2.gz YYSOBCJASGDJPG-UHFFFAOYSA-N 2 0 291.439 1.534 20 30 CDEDRP C=CCCC[NH2+]C1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001100872775 900869052 /nfs/dbraw/zinc/86/90/52/900869052.db2.gz JACKIIMMLHNCFJ-QQFBHYJXSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127480880 914747384 /nfs/dbraw/zinc/74/73/84/914747384.db2.gz NUEAMBVYWHGNSI-MRXNPFEDSA-N 2 0 293.455 1.780 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1CC ZINC001087578284 905706005 /nfs/dbraw/zinc/70/60/05/905706005.db2.gz MAXUIDKDXQBIFE-CAOSSQGBSA-N 2 0 291.439 1.319 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971087 906076384 /nfs/dbraw/zinc/07/63/84/906076384.db2.gz CJYBDTBUJVOXEJ-LVQVYYBASA-N 2 0 291.439 1.293 20 30 CDEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001088277444 906779291 /nfs/dbraw/zinc/77/92/91/906779291.db2.gz AIJJAGYBGAJJNT-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001088327278 906902972 /nfs/dbraw/zinc/90/29/72/906902972.db2.gz JKITWJSGAMTTRO-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC001271953304 907026403 /nfs/dbraw/zinc/02/64/03/907026403.db2.gz ACNSRJIFEXUDSH-UHFFFAOYSA-N 2 0 291.439 1.583 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001088424828 907150639 /nfs/dbraw/zinc/15/06/39/907150639.db2.gz GWJZETQNTVATGU-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001168135754 907356240 /nfs/dbraw/zinc/35/62/40/907356240.db2.gz DELXWWKVGVNMQG-AWEZNQCLSA-N 2 0 279.428 1.390 20 30 CDEDRP C#C[C@@H]1CCC[N@@H+](C2CCN(CCCOC)CC2)C1 ZINC001172253598 911532303 /nfs/dbraw/zinc/53/23/03/911532303.db2.gz VYEBRCPVVREIJJ-OAHLLOKOSA-N 2 0 264.413 1.833 20 30 CDEDRP C[C@@H](CCCC#N)[NH2+]CCCOCCOCCC[NH3+] ZINC001172483790 911688556 /nfs/dbraw/zinc/68/85/56/911688556.db2.gz UHXHAPHWWUSUNK-AWEZNQCLSA-N 2 0 271.405 1.430 20 30 CDEDRP C[C@@H](CCCC#N)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001172491233 911727899 /nfs/dbraw/zinc/72/78/99/911727899.db2.gz CVTICBMNHPFDQT-AWEZNQCLSA-N 2 0 252.406 1.248 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001206169468 911833413 /nfs/dbraw/zinc/83/34/13/911833413.db2.gz NQBHQMXNHQLYDX-MRXNPFEDSA-N 2 0 293.455 1.424 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001178502037 915443976 /nfs/dbraw/zinc/44/39/76/915443976.db2.gz HCGCXCNBXVSASR-INIZCTEOSA-N 2 0 293.455 1.780 20 30 CDEDRP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001089732244 915576725 /nfs/dbraw/zinc/57/67/25/915576725.db2.gz QATLDHLBGIRNLP-GJZGRUSLSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001106910664 915635143 /nfs/dbraw/zinc/63/51/43/915635143.db2.gz IXQOULYIYFFONF-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052870627 936404043 /nfs/dbraw/zinc/40/40/43/936404043.db2.gz VZZPTCSJVJYPPR-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001182473256 917909841 /nfs/dbraw/zinc/90/98/41/917909841.db2.gz OPTKMDOZPVVNNT-HUUCEWRRSA-N 2 0 277.412 1.073 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001182693547 918073370 /nfs/dbraw/zinc/07/33/70/918073370.db2.gz WKNGIKSEUIHEFV-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205255709 918304648 /nfs/dbraw/zinc/30/46/48/918304648.db2.gz KKRCBNUZSRORFO-KRWDZBQOSA-N 2 0 287.407 1.796 20 30 CDEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183411022 918475970 /nfs/dbraw/zinc/47/59/70/918475970.db2.gz WOGLGUARAQGFRN-BFYDXBDKSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183450542 918501398 /nfs/dbraw/zinc/50/13/98/918501398.db2.gz UPTBUSZBEZAXHZ-CABCVRRESA-N 2 0 281.444 1.729 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001185030290 919389550 /nfs/dbraw/zinc/38/95/50/919389550.db2.gz KPEBKLVZUCZWSG-HOTGVXAUSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121116 920370837 /nfs/dbraw/zinc/37/08/37/920370837.db2.gz CYWDAGFHOYXYTH-CQSZACIVSA-N 2 0 277.412 1.239 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187232221 920415539 /nfs/dbraw/zinc/41/55/39/920415539.db2.gz XIUIESCTJUSYSF-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001078812475 920471884 /nfs/dbraw/zinc/47/18/84/920471884.db2.gz LACXQNUDEDWFFV-UONOGXRCSA-N 2 0 277.412 1.285 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106342 920873669 /nfs/dbraw/zinc/87/36/69/920873669.db2.gz GJVUOPRPRIDPNF-OAHLLOKOSA-N 2 0 277.412 1.076 20 30 CDEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190445582 921999017 /nfs/dbraw/zinc/99/90/17/921999017.db2.gz ZBDOEJNPLZBSCF-LSDHHAIUSA-N 2 0 297.418 1.222 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192144204 922941447 /nfs/dbraw/zinc/94/14/47/922941447.db2.gz SFQGVATZJVXIMH-HNNXBMFYSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194036616 924022664 /nfs/dbraw/zinc/02/26/64/924022664.db2.gz AZJGKXFBWAVADS-CQSZACIVSA-N 2 0 265.401 1.191 20 30 CDEDRP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001080017463 924468000 /nfs/dbraw/zinc/46/80/00/924468000.db2.gz KWCDFPFGBCMHOO-OAGGEKHMSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CCCC[N@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196963444 925021572 /nfs/dbraw/zinc/02/15/72/925021572.db2.gz RPQSENVOVYLVKW-UHFFFAOYSA-N 2 0 281.444 1.829 20 30 CDEDRP C=CCCC[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001197150603 925073117 /nfs/dbraw/zinc/07/31/17/925073117.db2.gz UWCMJADTRCHJLU-INIZCTEOSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001084639143 925311687 /nfs/dbraw/zinc/31/16/87/925311687.db2.gz GSFZFNYZVKXWAJ-BZUAXINKSA-N 2 0 293.455 1.681 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC)[C@H]2C1 ZINC001084961255 925523902 /nfs/dbraw/zinc/52/39/02/925523902.db2.gz VZQWSFYZUBSGLU-PMPSAXMXSA-N 2 0 289.423 1.027 20 30 CDEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368260 937054436 /nfs/dbraw/zinc/05/44/36/937054436.db2.gz NDNVCPKFEIMKEH-OWCLPIDISA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001103147940 937124285 /nfs/dbraw/zinc/12/42/85/937124285.db2.gz HANRGDSYVZQETO-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](CC)CC)C1 ZINC001108286885 927269333 /nfs/dbraw/zinc/26/93/33/927269333.db2.gz FWFASIBSKLYTER-MRXNPFEDSA-N 2 0 297.443 1.111 20 30 CDEDRP C[C@H]1C[N@H+](Cc2cc(C#N)ccn2)CCC[C@@H]1C[NH3+] ZINC001206011741 928040894 /nfs/dbraw/zinc/04/08/94/928040894.db2.gz FYMPQPWMQOYDAC-GXTWGEPZSA-N 2 0 258.369 1.760 20 30 CDEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169800102 928423368 /nfs/dbraw/zinc/42/33/68/928423368.db2.gz ZXHSMJCKBNXMPA-CABCVRRESA-N 2 0 281.444 1.921 20 30 CDEDRP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+](CC)CC)C2 ZINC001108786297 928631230 /nfs/dbraw/zinc/63/12/30/928631230.db2.gz WPOQGTKIGZPSSD-JYJNAYRXSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[C@@H](C)n1ccnc1 ZINC001134498838 929775202 /nfs/dbraw/zinc/77/52/02/929775202.db2.gz PNXRCNITGIFRSA-ZIAGYGMSSA-N 2 0 278.400 1.895 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583439 929798708 /nfs/dbraw/zinc/79/87/08/929798708.db2.gz KJTJPHCJPZKYPN-ZIAGYGMSSA-N 2 0 281.444 1.920 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134783221 929897948 /nfs/dbraw/zinc/89/79/48/929897948.db2.gz TVODZDVZWBCNKU-UHFFFAOYSA-N 2 0 253.390 1.000 20 30 CDEDRP C#CCC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCCCC1 ZINC001115734359 937417207 /nfs/dbraw/zinc/41/72/07/937417207.db2.gz JQBWTMBNVVNRJE-HNNXBMFYSA-N 2 0 293.455 1.759 20 30 CDEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170862013 930511201 /nfs/dbraw/zinc/51/12/01/930511201.db2.gz JKQCZSLZTPDNKN-ARFHVFGLSA-N 2 0 293.455 1.615 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135961127 930578455 /nfs/dbraw/zinc/57/84/55/930578455.db2.gz LZBFRTZDMPYYCM-KBPBESRZSA-N 2 0 269.433 1.777 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135995676 930593656 /nfs/dbraw/zinc/59/36/56/930593656.db2.gz JGOMVESJBARAFY-HUUCEWRRSA-N 2 0 281.444 1.615 20 30 CDEDRP Cc1cc(N[C@H]([NH3+])CCC[NH3+])cc([N+](=O)[O-])c1C#N ZINC001170902845 930708509 /nfs/dbraw/zinc/70/85/09/930708509.db2.gz FYIWGGWFEVJSHG-LBPRGKRZSA-N 2 0 263.301 1.211 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CCS ZINC001143978574 931615164 /nfs/dbraw/zinc/61/51/64/931615164.db2.gz GCEGLSIXIBGTRU-UHFFFAOYSA-N 2 0 275.462 1.038 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001091032951 931736077 /nfs/dbraw/zinc/73/60/77/931736077.db2.gz RGXRUVWJBRGCLK-PFSRBDOWSA-N 2 0 279.428 1.387 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171217884 931990935 /nfs/dbraw/zinc/99/09/35/931990935.db2.gz OVQUBAVXRDAJRT-ZDUSSCGKSA-N 2 0 253.390 1.000 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147825764 932613480 /nfs/dbraw/zinc/61/34/80/932613480.db2.gz REOKYVDAOPLKRM-STQMWFEESA-N 2 0 287.835 1.565 20 30 CDEDRP N#CC1CCC([NH+]2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC001256973311 932725820 /nfs/dbraw/zinc/72/58/20/932725820.db2.gz OODAZKCZCJKIGI-UHFFFAOYSA-N 2 0 290.455 1.782 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155237771 937652562 /nfs/dbraw/zinc/65/25/62/937652562.db2.gz JBPSZXNWACSVIX-LSDHHAIUSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001155751545 937670776 /nfs/dbraw/zinc/67/07/76/937670776.db2.gz OYDOUIPOFHPSSF-UONOGXRCSA-N 2 0 292.427 1.991 20 30 CDEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001096015729 935879735 /nfs/dbraw/zinc/87/97/35/935879735.db2.gz QMHLKRRWCMOEDK-WCVJEAGWSA-N 2 0 289.423 1.073 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001097105369 936268629 /nfs/dbraw/zinc/26/86/29/936268629.db2.gz BUPFAQMYJLCHIS-JKJDWNRSSA-N 2 0 291.439 1.624 20 30 CDEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)CCC[NH+](C)C)C2)C1 ZINC001121663992 937879556 /nfs/dbraw/zinc/87/95/56/937879556.db2.gz WWUFKKJUZHIOAA-UHFFFAOYSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158030726 938576395 /nfs/dbraw/zinc/57/63/95/938576395.db2.gz XITNXDUGPXKOID-KBPBESRZSA-N 2 0 265.401 1.143 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158433948 938625700 /nfs/dbraw/zinc/62/57/00/938625700.db2.gz DHLBQPMUJUTZKL-MRXNPFEDSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166004039 939590176 /nfs/dbraw/zinc/59/01/76/939590176.db2.gz CNQADKKAOTTYFQ-CYBMUJFWSA-N 2 0 255.406 1.245 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001166736589 939633266 /nfs/dbraw/zinc/63/32/66/939633266.db2.gz OBBAFDOSDIVOPG-UHFFFAOYSA-N 2 0 267.417 1.390 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203516298 939690231 /nfs/dbraw/zinc/69/02/31/939690231.db2.gz XJWSSIJUUHMJEG-UONOGXRCSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203630913 939698472 /nfs/dbraw/zinc/69/84/72/939698472.db2.gz JGGVZKDRYRTBRT-GJZGRUSLSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001204797650 939792025 /nfs/dbraw/zinc/79/20/25/939792025.db2.gz ASHCTCBXHBQTQW-AWEZNQCLSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CCOc1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001205674002 939916060 /nfs/dbraw/zinc/91/60/60/939916060.db2.gz XHAYBWSKRZLCTN-KRWDZBQOSA-N 2 0 288.391 1.374 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001206886369 940107335 /nfs/dbraw/zinc/10/73/35/940107335.db2.gz HUSOVALOAYMACZ-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001206948107 940116215 /nfs/dbraw/zinc/11/62/15/940116215.db2.gz VAKTUDTXIMGXNN-GASCZTMLSA-N 2 0 293.455 1.873 20 30 CDEDRP C[NH+]1CCC(CC[NH+]2CCN(CCC#N)CC2)CC1 ZINC001207484452 940206116 /nfs/dbraw/zinc/20/61/16/940206116.db2.gz LBIXEYKUBLKKPY-UHFFFAOYSA-N 2 0 264.417 1.250 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207550949 940214501 /nfs/dbraw/zinc/21/45/01/940214501.db2.gz OOYPUKIKBIEBJR-FVQBIDKESA-N 2 0 293.455 1.729 20 30 CDEDRP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001210486259 940693894 /nfs/dbraw/zinc/69/38/94/940693894.db2.gz RNMYKOSPPRQDDE-HUUCEWRRSA-N 2 0 279.428 1.178 20 30 CDEDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(C#N)ccn1)C2 ZINC001276689017 940710133 /nfs/dbraw/zinc/71/01/33/940710133.db2.gz YHJXWLZWBDTBKE-WBVHZDCISA-N 2 0 299.422 1.021 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001215233095 940867104 /nfs/dbraw/zinc/86/71/04/940867104.db2.gz XKCATZMGJZDBMF-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000402181306 940890417 /nfs/dbraw/zinc/89/04/17/940890417.db2.gz WFVNETZNILWLJN-HOTGVXAUSA-N 2 0 275.396 1.897 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001215516278 940891392 /nfs/dbraw/zinc/89/13/92/940891392.db2.gz AMQUADWMMFMMOX-OAGGEKHMSA-N 2 0 293.455 1.567 20 30 CDEDRP C=C1CC[NH2+]C[C@H]1Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218210845 941044139 /nfs/dbraw/zinc/04/41/39/941044139.db2.gz KUKLPDRQBNAMBW-MRXNPFEDSA-N 2 0 273.380 1.393 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)Nc2ccc3c(c2)CC[NH2+]CC3)C1 ZINC001218937148 941290906 /nfs/dbraw/zinc/29/09/06/941290906.db2.gz LICWZPGZEBDFIB-KRWDZBQOSA-N 2 0 285.391 1.622 20 30 CDEDRP C#Cc1ccc(CNC(=O)[C@H](CCCC[NH3+])[NH2+]C)cc1 ZINC001220381635 941441759 /nfs/dbraw/zinc/44/17/59/941441759.db2.gz MAZRDWDDSIBZJL-HNNXBMFYSA-N 2 0 273.380 1.001 20 30 CDEDRP C#Cc1ccc(CNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)cc1 ZINC001220382503 941442666 /nfs/dbraw/zinc/44/26/66/941442666.db2.gz YIROSBOHYDBDCB-INIZCTEOSA-N 2 0 287.407 1.343 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)CCC[NH+](C)C)CC1 ZINC001224273411 941736376 /nfs/dbraw/zinc/73/63/76/941736376.db2.gz XMDWQWHKHMOBPJ-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP C#CCCC[NH2+]C12CC(C(=O)NC3CC[NH+](C)CC3)(C1)C2 ZINC001276977671 941764114 /nfs/dbraw/zinc/76/41/14/941764114.db2.gz CDRZAJNMLQZOOG-UHFFFAOYSA-N 2 0 289.423 1.123 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001224535210 941766619 /nfs/dbraw/zinc/76/66/19/941766619.db2.gz DZBAXYVWQLBNJK-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001229193039 942430676 /nfs/dbraw/zinc/43/06/76/942430676.db2.gz CCFLNHOGKOHYFU-GOEBONIOSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)Cc2c[nH]cn2)CC1 ZINC001229355651 942458103 /nfs/dbraw/zinc/45/81/03/942458103.db2.gz HUJPBMSJPFREET-ZDUSSCGKSA-N 2 0 290.411 1.888 20 30 CDEDRP C=CC[NH2+]CCN([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646186 944537698 /nfs/dbraw/zinc/53/76/98/944537698.db2.gz FAPAKMXUYVNISN-OAHLLOKOSA-N 2 0 251.418 1.759 20 30 CDEDRP C#Cc1cccc(CN(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236934295 944618887 /nfs/dbraw/zinc/61/88/87/944618887.db2.gz VHFUADXDXXCXCY-GOSISDBHSA-N 2 0 285.435 1.784 20 30 CDEDRP C=CCCCCCC[C@H](O)C[NH2+]CCCNCCC[NH3+] ZINC001246011548 947890170 /nfs/dbraw/zinc/89/01/70/947890170.db2.gz WIENZBOIPDZGDT-INIZCTEOSA-N 2 0 285.476 1.792 20 30 CDEDRP C=CCOC1CCC([NH2+][C@@H]2C[NH2+]CC23CC3)CC1 ZINC001246135683 947979591 /nfs/dbraw/zinc/97/95/91/947979591.db2.gz UMVHCNYBAHVRIK-JXQTWKCFSA-N 2 0 250.386 1.842 20 30 CDEDRP CC1(C#N)CCC([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246639926 948376408 /nfs/dbraw/zinc/37/64/08/948376408.db2.gz ZTZRDNGXTMJGHH-NRXISQOPSA-N 2 0 262.401 1.096 20 30 CDEDRP C[C@@H]1C[C@@H]([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC[NH2+]1 ZINC001246836785 948468200 /nfs/dbraw/zinc/46/82/00/948468200.db2.gz MQMFQDRTBBDOQY-ZBFHGGJFSA-N 2 0 299.422 1.606 20 30 CDEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001479969020 971516033 /nfs/dbraw/zinc/51/60/33/971516033.db2.gz RGEZTOFDPKKRKI-CABCVRRESA-N 2 0 291.439 1.627 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]C1CC[NH+](C(CC)CC)CC1 ZINC001252492023 951363113 /nfs/dbraw/zinc/36/31/13/951363113.db2.gz VERDYXFGYDLUNA-MRXNPFEDSA-N 2 0 284.444 1.793 20 30 CDEDRP C=C[C@@](C)(O)CN(CC[NH+](CC)CC)CC[NH+](CC)CC ZINC001252560073 951455297 /nfs/dbraw/zinc/45/52/97/951455297.db2.gz NAFVGLQMZIFWOZ-QGZVFWFLSA-N 2 0 299.503 1.909 20 30 CDEDRP C=C[C@H](O)C[NH+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001253576801 951962630 /nfs/dbraw/zinc/96/26/30/951962630.db2.gz HUMAHFQQKOTQJU-KURKYZTESA-N 2 0 286.419 1.906 20 30 CDEDRP C=C[C@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001253585394 951974591 /nfs/dbraw/zinc/97/45/91/951974591.db2.gz XCWNVNYNNAXWHV-IRXDYDNUSA-N 2 0 274.408 1.987 20 30 CDEDRP C=C[C@H](O)C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC001253609562 951994761 /nfs/dbraw/zinc/99/47/61/951994761.db2.gz VODBAJQXSSDAJW-AWEZNQCLSA-N 2 0 264.369 1.264 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@@H](O)C(C)C)CC1 ZINC001253767980 952102481 /nfs/dbraw/zinc/10/24/81/952102481.db2.gz KDWGQHHPFHPHRT-QGZVFWFLSA-N 2 0 295.471 1.295 20 30 CDEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001323468470 960754394 /nfs/dbraw/zinc/75/43/94/960754394.db2.gz MXAQGZCGNUYYDH-AWEZNQCLSA-N 2 0 281.444 1.777 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC001340151808 962780340 /nfs/dbraw/zinc/78/03/40/962780340.db2.gz OBQBNVBISISOBM-CQSZACIVSA-N 2 0 267.417 1.662 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001340914541 963187737 /nfs/dbraw/zinc/18/77/37/963187737.db2.gz ZQCUGKQTSXYJMA-HZSPNIEDSA-N 2 0 269.433 1.918 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001100319179 968004393 /nfs/dbraw/zinc/00/43/93/968004393.db2.gz APLHWSAOVXABCN-UYSNPLJNSA-N 2 0 291.439 1.367 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001100647441 968862235 /nfs/dbraw/zinc/86/22/35/968862235.db2.gz VHBSTIVUPLJNDZ-YMAMQOFZSA-N 2 0 279.428 1.080 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC001357443489 969589190 /nfs/dbraw/zinc/58/91/90/969589190.db2.gz BDFUKLNVEUACJW-TZMCWYRMSA-N 2 0 253.390 1.176 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001495810894 972646075 /nfs/dbraw/zinc/64/60/75/972646075.db2.gz ZCVCMBKUNZZBNH-ZYHUDNBSSA-N 2 0 273.808 1.033 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001378601446 975412221 /nfs/dbraw/zinc/41/22/21/975412221.db2.gz MLXMNTWYOKDBQL-DGCLKSJQSA-N 2 0 289.851 1.667 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001132736932 1163459340 /nfs/dbraw/zinc/45/93/40/1163459340.db2.gz GKRMCNJZQBLVLH-CYBMUJFWSA-N 2 0 287.835 1.567 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132983834 1163526751 /nfs/dbraw/zinc/52/67/51/1163526751.db2.gz MMFSNTAUQSHDHA-UHFFFAOYSA-N 2 0 279.384 1.627 20 30 CDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](C)CC)C1 ZINC001574851578 1171014986 /nfs/dbraw/zinc/01/49/86/1171014986.db2.gz HUFADDVWZPBHJP-WDEREUQCSA-N 2 0 259.781 1.009 20 30 CDEDRP C=CCNC(=O)C[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000075007932 342002863 /nfs/dbraw/zinc/00/28/63/342002863.db2.gz KPAQXTHLRWAACT-UHFFFAOYSA-N 2 0 297.443 1.111 20 30 CDEDRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(CC#N)CC1 ZINC000591570970 342637477 /nfs/dbraw/zinc/63/74/77/342637477.db2.gz MFAWLLUKGQTRKR-HOCLYGCPSA-N 2 0 278.444 1.875 20 30 CDEDRP C[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)C1CC[NH+](C)CC1 ZINC000600723272 342244874 /nfs/dbraw/zinc/24/48/74/342244874.db2.gz BVKSEIXGRHBACS-GXTWGEPZSA-N 2 0 265.401 1.361 20 30 CDEDRP C[N@@H+]1CCCN(CCNC(=[NH2+])NC2CCCCCC2)CC1 ZINC000092277654 342414097 /nfs/dbraw/zinc/41/40/97/342414097.db2.gz WPIMVNRWDSIYCK-UHFFFAOYSA-N 2 0 295.475 1.251 20 30 CDEDRP C[C@@H](CCC#N)C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000602548987 344463489 /nfs/dbraw/zinc/46/34/89/344463489.db2.gz QAUFVBNAZNDORN-GJZGRUSLSA-N 2 0 278.444 1.684 20 30 CDEDRP C[C@H](CCC#N)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000602656743 344518545 /nfs/dbraw/zinc/51/85/45/344518545.db2.gz MHTWAMSFMZEDFJ-OAHLLOKOSA-N 2 0 266.433 1.496 20 30 CDEDRP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC)Cc1ccccc1 ZINC000264084654 362962019 /nfs/dbraw/zinc/96/20/19/362962019.db2.gz IUBUQFYOODQKFW-CQSZACIVSA-N 2 0 262.401 1.474 20 30 CDEDRP [NH2+]=C(NCCC[NH+]1CCC(O)CC1)Nc1ccccc1 ZINC000264092938 362965234 /nfs/dbraw/zinc/96/52/34/362965234.db2.gz LRLHAIKWSYFWFH-UHFFFAOYSA-N 2 0 276.384 1.260 20 30 CDEDRP CNC(=[NH2+])NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264088935 362963853 /nfs/dbraw/zinc/96/38/53/362963853.db2.gz KJRUIXWZXNALGE-CQSZACIVSA-N 2 0 260.385 1.085 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1 ZINC000264139051 362976471 /nfs/dbraw/zinc/97/64/71/362976471.db2.gz VZKHETBDAPCXOX-UHFFFAOYSA-N 2 0 290.411 1.607 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2ccccc2C)CC1 ZINC000295158928 199377705 /nfs/dbraw/zinc/37/77/05/199377705.db2.gz KHODLCXWAHTKFG-INIZCTEOSA-N 2 0 287.407 1.761 20 30 CDEDRP CNC(NCC1CCN(c2cc[nH+]cc2)CC1)=[NH+]C ZINC000179712246 357221262 /nfs/dbraw/zinc/22/12/62/357221262.db2.gz ULQZWWLJIMDTFT-UHFFFAOYSA-N 2 0 261.373 1.093 20 30 CDEDRP CNC(NCc1cccc(C[NH+]2CCCC2)c1)=[NH+]C ZINC000057888055 357369411 /nfs/dbraw/zinc/36/94/11/357369411.db2.gz JZRGIGOMEAIYDI-UHFFFAOYSA-N 2 0 260.385 1.577 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]([NH3+])CCC)C(C)C ZINC000272296355 359452424 /nfs/dbraw/zinc/45/24/24/359452424.db2.gz GGDGFPBQHGUAAH-GJZGRUSLSA-N 2 0 281.444 1.929 20 30 CDEDRP C[NH+](CC#CC[N@@H+](C)[C@@H]1CCSC1)[C@@H]1CCSC1 ZINC000351328886 361644927 /nfs/dbraw/zinc/64/49/27/361644927.db2.gz NQCWBDWHAZLAKN-ZIAGYGMSSA-N 2 0 284.494 1.864 20 30 CDEDRP C[C@@H]1C[NH+](CCCNC(=[NH2+])Nc2ccccn2)C[C@@H](C)O1 ZINC000170909992 365161303 /nfs/dbraw/zinc/16/13/03/365161303.db2.gz CMBVDLAQHDGAJE-CHWSQXEVSA-N 2 0 291.399 1.308 20 30 CDEDRP N#Cc1ccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422993931 374366972 /nfs/dbraw/zinc/36/69/72/374366972.db2.gz UHCCJSUYBZGKTO-YIONKMFJSA-N 2 0 271.364 1.810 20 30 CDEDRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC1 ZINC000369278092 374349624 /nfs/dbraw/zinc/34/96/24/374349624.db2.gz PBZKNJAPHGNXSO-KRWDZBQOSA-N 2 0 298.434 1.816 20 30 CDEDRP C=CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000076324707 377352886 /nfs/dbraw/zinc/35/28/86/377352886.db2.gz XAYQAAZOXMRUSY-UHFFFAOYSA-N 2 0 281.444 1.588 20 30 CDEDRP C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000289995666 378357504 /nfs/dbraw/zinc/35/75/04/378357504.db2.gz YUGNFAVVXBPBOQ-DZGCQCFKSA-N 2 0 278.396 1.825 20 30 CDEDRP C=CCN(CC=C)C(=O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293110806 378538653 /nfs/dbraw/zinc/53/86/53/378538653.db2.gz YMSYWUNBRYKEBL-KRWDZBQOSA-N 2 0 291.439 1.605 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000345287007 391117552 /nfs/dbraw/zinc/11/75/52/391117552.db2.gz XETDYNVLKMOYOU-KBPBESRZSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CCC[C@@H](O)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000363879041 391271530 /nfs/dbraw/zinc/27/15/30/391271530.db2.gz JJELNTPXSUKVHD-DLBZAZTESA-N 2 0 295.471 1.414 20 30 CDEDRP C[C@H](C[NH2+]Cc1ccc(C#N)s1)CN1CC[NH+](C)CC1 ZINC000176962953 139974244 /nfs/dbraw/zinc/97/42/44/139974244.db2.gz SKIYJWOLUCHVRC-CYBMUJFWSA-N 2 0 292.452 1.593 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660659465 413351126 /nfs/dbraw/zinc/35/11/26/413351126.db2.gz PPHWVHLXGLEJHY-HUUCEWRRSA-N 2 0 252.402 1.731 20 30 CDEDRP C=CCCC(C)(C)[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000663507827 414308597 /nfs/dbraw/zinc/30/85/97/414308597.db2.gz ZYCZMSGMTVQBEG-ZDUSSCGKSA-N 2 0 267.417 1.518 20 30 CDEDRP C=CCNC(=[NH2+])NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186890045 262114963 /nfs/dbraw/zinc/11/49/63/262114963.db2.gz SLTSBZCAMBMUFL-MRXNPFEDSA-N 2 0 286.423 1.987 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000357817390 266373077 /nfs/dbraw/zinc/37/30/77/266373077.db2.gz ICYFYCTYFJCJAB-OAHLLOKOSA-N 2 0 279.428 1.627 20 30 CDEDRP C[C@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)N1CC[NH+](C)CC1 ZINC000353428287 279353854 /nfs/dbraw/zinc/35/38/54/279353854.db2.gz RFQVBOGGKCIAKY-KDOFPFPSSA-N 2 0 298.434 1.771 20 30 CDEDRP C[NH+]=C(NCc1cccn1C)NC1CC[NH+](C(C)C)CC1 ZINC000262425409 328150226 /nfs/dbraw/zinc/15/02/26/328150226.db2.gz HFPHATCHIATDBW-UHFFFAOYSA-N 2 0 291.443 1.563 20 30 CDEDRP CC1CC[NH+](CCCCNC2=[NH+]CCCN2)CC1 ZINC000341603527 328412831 /nfs/dbraw/zinc/41/28/31/328412831.db2.gz NEWQWGNPRPLPCA-UHFFFAOYSA-N 2 0 252.406 1.437 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+](CC)C2CC2)CC1 ZINC000171731598 329079603 /nfs/dbraw/zinc/07/96/03/329079603.db2.gz JKRUTLZHRXXWGM-UHFFFAOYSA-N 2 0 294.443 1.420 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCS1 ZINC000262432015 330010305 /nfs/dbraw/zinc/01/03/05/330010305.db2.gz SPAYPZHXLJWMHL-VXGBXAGGSA-N 2 0 270.446 1.271 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)N1 ZINC000262471732 330015648 /nfs/dbraw/zinc/01/56/48/330015648.db2.gz BFLQWMMGQIIUIB-JHJVBQTASA-N 2 0 266.433 1.680 20 30 CDEDRP C#CCNC(NCC[N@H+](C)C1CCCCC1)=[NH+]C ZINC000262629864 330023535 /nfs/dbraw/zinc/02/35/35/330023535.db2.gz VMLVTJHSDCJGCG-UHFFFAOYSA-N 2 0 250.390 1.049 20 30 CDEDRP C[C@@H]1C[NH+]=C(NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)N1 ZINC000262634669 330023695 /nfs/dbraw/zinc/02/36/95/330023695.db2.gz GLWCOJMDYXVKDF-HIFRSBDPSA-N 2 0 278.444 1.968 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@](C)([NH3+])CCC)CC1 ZINC000262710808 330028292 /nfs/dbraw/zinc/02/82/92/330028292.db2.gz QECRUMVYQOENLD-AWEZNQCLSA-N 2 0 253.390 1.271 20 30 CDEDRP C=CC[C@H](CO)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423014422 330165516 /nfs/dbraw/zinc/16/55/16/330165516.db2.gz INKBBMKFSAULPX-BPUTZDHNSA-N 2 0 262.397 1.719 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000423367898 330194578 /nfs/dbraw/zinc/19/45/78/330194578.db2.gz ATRVZQNTPSPIBA-GXTWGEPZSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CCN1CCC([NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000177907259 333065465 /nfs/dbraw/zinc/06/54/65/333065465.db2.gz YEFCDBLZKVVCDS-GDBMZVCRSA-N 2 0 265.445 1.957 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000572705079 334872792 /nfs/dbraw/zinc/87/27/92/334872792.db2.gz ICZLWUUZAVMEGI-CQSZACIVSA-N 2 0 294.443 1.468 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000194581257 336030654 /nfs/dbraw/zinc/03/06/54/336030654.db2.gz HIDFVNOFGVTCRU-UHFFFAOYSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CC[N@@H+](C)CCCNC1CC[NH+](C(C)C)CC1 ZINC000385606171 336152563 /nfs/dbraw/zinc/15/25/63/336152563.db2.gz MNXTVUGGJBCORH-UHFFFAOYSA-N 2 0 251.418 1.404 20 30 CDEDRP CC#CC[N@H+](CC)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001752228479 1159487710 /nfs/dbraw/zinc/48/77/10/1159487710.db2.gz CPYLEBFFQONOTJ-UHFFFAOYSA-N 2 0 293.455 1.714 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H]1C ZINC001088858198 1161023984 /nfs/dbraw/zinc/02/39/84/1161023984.db2.gz SJIKCVOVHBBQDJ-KFWWJZLASA-N 2 0 279.428 1.626 20 30 CDEDRP C#CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981147601 613003681 /nfs/dbraw/zinc/00/36/81/613003681.db2.gz VYPCHGYOTWQKEM-INIZCTEOSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000971780289 613079736 /nfs/dbraw/zinc/07/97/36/613079736.db2.gz WXMYLCZYXHLZMU-OAHLLOKOSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC000968920795 613146259 /nfs/dbraw/zinc/14/62/59/613146259.db2.gz YTHOLOZTYFJJBI-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000980833502 613253723 /nfs/dbraw/zinc/25/37/23/613253723.db2.gz HLIQHBQKUYCHIA-HNNXBMFYSA-N 2 0 279.428 1.581 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000971861280 613287724 /nfs/dbraw/zinc/28/77/24/613287724.db2.gz KYTZIWWZTKHXEP-HNNXBMFYSA-N 2 0 291.439 1.724 20 30 CDEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000972176196 613290488 /nfs/dbraw/zinc/29/04/88/613290488.db2.gz KTJZXBJEFSTDSE-JYJNAYRXSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000969971057 613302196 /nfs/dbraw/zinc/30/21/96/613302196.db2.gz WMQQLXUFAFHDEU-DZGCQCFKSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549406 613514878 /nfs/dbraw/zinc/51/48/78/613514878.db2.gz QIFBFLVGXPFWGH-CABCVRRESA-N 2 0 291.439 1.485 20 30 CDEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000970329784 613536994 /nfs/dbraw/zinc/53/69/94/613536994.db2.gz UOAZHVWLPQECPJ-KKUMJFAQSA-N 2 0 291.439 1.177 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968149883 613593028 /nfs/dbraw/zinc/59/30/28/613593028.db2.gz GFKHDJHNUYXRHJ-GOEBONIOSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000972268131 613629918 /nfs/dbraw/zinc/62/99/18/613629918.db2.gz WYQHMPKKNJRCPY-UONOGXRCSA-N 2 0 267.417 1.291 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCC(C)(C)[NH3+])CC1 ZINC000891521567 617458500 /nfs/dbraw/zinc/45/85/00/617458500.db2.gz ZDNFMVAEQXDDGH-UHFFFAOYSA-N 2 0 282.432 1.454 20 30 CDEDRP C#CCCN1CCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000895884612 619884069 /nfs/dbraw/zinc/88/40/69/619884069.db2.gz LHVAHWCATNOFSF-CQSZACIVSA-N 2 0 277.412 1.027 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC(C[NH2+]C)CC1 ZINC000911778266 629494068 /nfs/dbraw/zinc/49/40/68/629494068.db2.gz PCAIJUFDVBIQOY-ZDUSSCGKSA-N 2 0 253.390 1.128 20 30 CDEDRP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001754914897 1159487063 /nfs/dbraw/zinc/48/70/63/1159487063.db2.gz OOIHZCHSDDQEBJ-HOTGVXAUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106322376 1161143513 /nfs/dbraw/zinc/14/35/13/1161143513.db2.gz MPTJJDQPGIKXMG-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128779758 1161508932 /nfs/dbraw/zinc/50/89/32/1161508932.db2.gz XPPLBSXPJWCAEV-LSDHHAIUSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001113019211 1162075453 /nfs/dbraw/zinc/07/54/53/1162075453.db2.gz JVLXGPBSRMPPTR-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133687806 1163852505 /nfs/dbraw/zinc/85/25/05/1163852505.db2.gz QWBXRCOPFZNQTR-AWEZNQCLSA-N 2 0 269.433 1.779 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001252481340 1164471381 /nfs/dbraw/zinc/47/13/81/1164471381.db2.gz BOIOGTLTPJAFJR-CQSZACIVSA-N 2 0 256.390 1.012 20 30 CDEDRP CC#CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC001574962800 1171064971 /nfs/dbraw/zinc/06/49/71/1171064971.db2.gz OOUKZGAVCVQISD-HUUCEWRRSA-N 2 0 277.412 1.204 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1CCOC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261973170 1182202943 /nfs/dbraw/zinc/20/29/43/1182202943.db2.gz NFRAMWGKCVNIKE-VNHYZAJKSA-N 2 0 294.443 1.061 20 30 CDEDRP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001752980444 1184982402 /nfs/dbraw/zinc/98/24/02/1184982402.db2.gz NIOYOVVWJHULHU-ZIAGYGMSSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001753197330 1185113553 /nfs/dbraw/zinc/11/35/53/1185113553.db2.gz WHVJHSBSWCOSOY-OAHLLOKOSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001753301337 1185147621 /nfs/dbraw/zinc/14/76/21/1185147621.db2.gz GQOBBODMBSWKHA-DOTOQJQBSA-N 2 0 299.418 1.409 20 30 CDEDRP C#CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001753440013 1185208604 /nfs/dbraw/zinc/20/86/04/1185208604.db2.gz SIUSFCTWMKOOFI-GJZGRUSLSA-N 2 0 277.412 1.027 20 30 CDEDRP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001753462436 1185220666 /nfs/dbraw/zinc/22/06/66/1185220666.db2.gz WFGKNLHUYQAUDU-CVEARBPZSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)CC[N@@H+](C)CC ZINC001753720289 1185316047 /nfs/dbraw/zinc/31/60/47/1185316047.db2.gz WZDGMMVGRUCKKJ-CYBMUJFWSA-N 2 0 255.406 1.341 20 30 CDEDRP C=CCC[N@@H+](C)CCN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001753862633 1185369703 /nfs/dbraw/zinc/36/97/03/1185369703.db2.gz HNYDFIFEYIHWKN-UHFFFAOYSA-N 2 0 283.460 1.931 20 30 CDEDRP C=CC[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001754237099 1185523384 /nfs/dbraw/zinc/52/33/84/1185523384.db2.gz ZIPIIESUCBMQDD-CQSZACIVSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001754286042 1185551236 /nfs/dbraw/zinc/55/12/36/1185551236.db2.gz VNUXRXLKHOINEO-LSDHHAIUSA-N 2 0 279.428 1.367 20 30 CDEDRP C=CC[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001754371841 1185600498 /nfs/dbraw/zinc/60/04/98/1185600498.db2.gz RXTRREYIZWYFET-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001754598178 1185678697 /nfs/dbraw/zinc/67/86/97/1185678697.db2.gz HPYJNJJQGNEYDI-UONOGXRCSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CCC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001755123958 1185824091 /nfs/dbraw/zinc/82/40/91/1185824091.db2.gz WTDFBFMWGDZUOT-CABCVRRESA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001755197060 1185850500 /nfs/dbraw/zinc/85/05/00/1185850500.db2.gz FMCBAOCTHWIWSV-AWEZNQCLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)C[NH2+]CC1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001755221809 1185862205 /nfs/dbraw/zinc/86/22/05/1185862205.db2.gz LOTTYIBCCZQNKY-UHFFFAOYSA-N 2 0 267.417 1.387 20 30 CDEDRP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001755299697 1185901959 /nfs/dbraw/zinc/90/19/59/1185901959.db2.gz GKTCBJBAKJCCDS-BFHYXJOUSA-N 2 0 267.417 1.339 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001755313604 1185911123 /nfs/dbraw/zinc/91/11/23/1185911123.db2.gz NNVWDAGYYUVMQJ-CQSZACIVSA-N 2 0 281.444 1.731 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001755657572 1186026785 /nfs/dbraw/zinc/02/67/85/1186026785.db2.gz ARSPVNZZVMDENT-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001755734757 1186052704 /nfs/dbraw/zinc/05/27/04/1186052704.db2.gz DWBNWQSLSSVPJD-HUUCEWRRSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001755736815 1186053230 /nfs/dbraw/zinc/05/32/30/1186053230.db2.gz ANWONZOGBMNQMC-CABCVRRESA-N 2 0 291.439 1.675 20 30 CDEDRP C=CCC[N@@H+](C)CCN(C(=O)Cc1cnc[nH]1)C(C)C ZINC001755815027 1186075744 /nfs/dbraw/zinc/07/57/44/1186075744.db2.gz YCBKPKBBQNFXGK-UHFFFAOYSA-N 2 0 278.400 1.697 20 30 CDEDRP CCCCCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133863704 1163937573 /nfs/dbraw/zinc/93/75/73/1163937573.db2.gz OGLTUGKQSLLJJU-LSDHHAIUSA-N 2 0 283.460 1.860 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001133921823 1163968004 /nfs/dbraw/zinc/96/80/04/1163968004.db2.gz MJFSYPUURYOBHO-UHFFFAOYSA-N 2 0 289.423 1.443 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001135474459 1164143553 /nfs/dbraw/zinc/14/35/53/1164143553.db2.gz QIBSEFWCRKNYGU-CQSZACIVSA-N 2 0 267.417 1.082 20 30 CDEDRP C=C(C)CC[N@H+]1CCCN(C(=O)Cc2cncn2C)CC1 ZINC000989483300 758883876 /nfs/dbraw/zinc/88/38/76/758883876.db2.gz RUVVKCGXONHDTA-UHFFFAOYSA-N 2 0 290.411 1.463 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071796765 758903420 /nfs/dbraw/zinc/90/34/20/758903420.db2.gz WYWRXLWCFNXCGA-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH+]1CCC(N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001006084169 758945589 /nfs/dbraw/zinc/94/55/89/758945589.db2.gz OGNIMQHHKSTICF-UHFFFAOYSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CCN1Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C)cc2C1 ZINC001054258821 768845634 /nfs/dbraw/zinc/84/56/34/768845634.db2.gz DPUBRRMKFNGYAG-KRWDZBQOSA-N 2 0 299.418 1.899 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000987126437 768850301 /nfs/dbraw/zinc/85/03/01/768850301.db2.gz VSALQDLRPFIYNR-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CC[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001031850297 768889547 /nfs/dbraw/zinc/88/95/47/768889547.db2.gz UILDMPFEDFLRQV-UHFFFAOYSA-N 2 0 298.390 1.962 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001001002708 769275118 /nfs/dbraw/zinc/27/51/18/769275118.db2.gz OXQIARNRGRGHEH-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001036091500 769335489 /nfs/dbraw/zinc/33/54/89/769335489.db2.gz FHWHERDCDHKSIO-CZUORRHYSA-N 2 0 298.390 1.961 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001028661737 769420730 /nfs/dbraw/zinc/42/07/30/769420730.db2.gz NWHQFNVSAHSOGU-AWEZNQCLSA-N 2 0 296.374 1.409 20 30 CDEDRP CCCCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1 ZINC000304765526 769616433 /nfs/dbraw/zinc/61/64/33/769616433.db2.gz ZJOOHGOIMHBPSM-ZDUSSCGKSA-N 2 0 254.422 1.813 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001050074627 769623048 /nfs/dbraw/zinc/62/30/48/769623048.db2.gz MRDWJZFZPSLZRG-ARFHVFGLSA-N 2 0 293.455 1.826 20 30 CDEDRP CCCCCCNC(=[NH2+])NC[C@H](C1CC1)[NH+](C)C ZINC000303905082 769805774 /nfs/dbraw/zinc/80/57/74/769805774.db2.gz ZEHMFOAHBWJAEJ-CYBMUJFWSA-N 2 0 254.422 1.811 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001027463946 769808623 /nfs/dbraw/zinc/80/86/23/769808623.db2.gz ARJOZSNNVBJPAJ-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000987126441 769870722 /nfs/dbraw/zinc/87/07/22/769870722.db2.gz VSALQDLRPFIYNR-GOEBONIOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CCC[N@@H+](C)C[C@@H]1CC ZINC000846987415 769911837 /nfs/dbraw/zinc/91/18/37/769911837.db2.gz GDKJMPUUTMCAPW-ZDUSSCGKSA-N 2 0 253.390 1.047 20 30 CDEDRP CCCNC(=[NH2+])NC[C@H](c1ccco1)N(CC)CC ZINC000303876016 769958243 /nfs/dbraw/zinc/95/82/43/769958243.db2.gz HWMNCMCCWFBEFC-GFCCVEGCSA-N 2 0 266.389 1.977 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000996602541 769964608 /nfs/dbraw/zinc/96/46/08/769964608.db2.gz KBPZEQZGJCZAEA-TZMCWYRMSA-N 2 0 299.846 1.660 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001031764738 770238360 /nfs/dbraw/zinc/23/83/60/770238360.db2.gz MORGDMFTRAEMMT-UHFFFAOYSA-N 2 0 277.412 1.096 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034792906 770311002 /nfs/dbraw/zinc/31/10/02/770311002.db2.gz OLSQXOHJVRAPRG-MGPQQGTHSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@H]21 ZINC001036734981 770376019 /nfs/dbraw/zinc/37/60/19/770376019.db2.gz BKYJEVHHBBTTQB-HUUCEWRRSA-N 2 0 291.439 1.580 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000996679902 770594261 /nfs/dbraw/zinc/59/42/61/770594261.db2.gz RISXLYRXZAWOHU-CQSZACIVSA-N 2 0 299.846 1.660 20 30 CDEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001041296780 770696334 /nfs/dbraw/zinc/69/63/34/770696334.db2.gz JSQDAZUYBDSPQO-BFYDXBDKSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001045437480 770730597 /nfs/dbraw/zinc/73/05/97/770730597.db2.gz ADCDMQCXJHRDBC-OAHLLOKOSA-N 2 0 291.439 1.463 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001036054551 770884481 /nfs/dbraw/zinc/88/44/81/770884481.db2.gz LRXJKWAUQGHEEW-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001006294113 770894360 /nfs/dbraw/zinc/89/43/60/770894360.db2.gz LMDFVRZIFMLXIN-CQSZACIVSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000999492722 771290255 /nfs/dbraw/zinc/29/02/55/771290255.db2.gz CCNSUJOPLNECTN-CHWSQXEVSA-N 2 0 253.390 1.093 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001022201967 771290905 /nfs/dbraw/zinc/29/09/05/771290905.db2.gz OSOGZGXUGIPILX-QLFBSQMISA-N 2 0 279.428 1.672 20 30 CDEDRP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001028551850 771292891 /nfs/dbraw/zinc/29/28/91/771292891.db2.gz ZUITYJMZZWKTBF-QLFBSQMISA-N 2 0 279.428 1.341 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC)C1 ZINC001007519293 771315462 /nfs/dbraw/zinc/31/54/62/771315462.db2.gz NOXXSPDDKFQRPS-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001040263118 771324104 /nfs/dbraw/zinc/32/41/04/771324104.db2.gz YJUVQPHZRRADGF-NVXWUHKLSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000925486138 771352310 /nfs/dbraw/zinc/35/23/10/771352310.db2.gz FGQOAWZINCIEBE-CQSZACIVSA-N 2 0 288.395 1.237 20 30 CDEDRP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001026464288 771425278 /nfs/dbraw/zinc/42/52/78/771425278.db2.gz BGWDMVKCMHEEHB-NRXISQOPSA-N 2 0 279.428 1.674 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001026044137 771427846 /nfs/dbraw/zinc/42/78/46/771427846.db2.gz KOHBRFUSEJIDIF-ZVDSWSACSA-N 2 0 291.439 1.197 20 30 CDEDRP CCC[NH+]1CCC([N@H+](C)CCO[C@H](C)C#N)CC1 ZINC000801924665 771665912 /nfs/dbraw/zinc/66/59/12/771665912.db2.gz SLLXKMAYUKHTSN-CYBMUJFWSA-N 2 0 253.390 1.721 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC1(C)C ZINC000996012898 771708886 /nfs/dbraw/zinc/70/88/86/771708886.db2.gz XTMOSWVJNCSTGR-HNNXBMFYSA-N 2 0 298.390 1.961 20 30 CDEDRP COCC[N@H+](C)CCC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000924653203 771763437 /nfs/dbraw/zinc/76/34/37/771763437.db2.gz HPGZGALEAWALNT-ZDUSSCGKSA-N 2 0 255.406 1.873 20 30 CDEDRP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000985656485 771835729 /nfs/dbraw/zinc/83/57/29/771835729.db2.gz XYSJNFSVAHZCHW-UKRRQHHQSA-N 2 0 279.428 1.293 20 30 CDEDRP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001028636231 771855431 /nfs/dbraw/zinc/85/54/31/771855431.db2.gz MMSIGLCKINPUCX-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001027943326 771862371 /nfs/dbraw/zinc/86/23/71/771862371.db2.gz QEUUGRXEJFXILA-BFHYXJOUSA-N 2 0 286.379 1.117 20 30 CDEDRP C[NH+]=C(NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)NC1CC1 ZINC000303387429 771870626 /nfs/dbraw/zinc/87/06/26/771870626.db2.gz BHLWRTWVJNMTDT-DOMZBBRYSA-N 2 0 266.433 1.824 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001835521 771891847 /nfs/dbraw/zinc/89/18/47/771891847.db2.gz WZSBTZOJRBNJMS-HIFRSBDPSA-N 2 0 279.428 1.198 20 30 CDEDRP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001052712926 771904955 /nfs/dbraw/zinc/90/49/55/771904955.db2.gz PVSZHVDCUMXBRP-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001008300127 771972007 /nfs/dbraw/zinc/97/20/07/771972007.db2.gz VOJCXSKFXVCBQL-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[NH+]1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006292875 772030471 /nfs/dbraw/zinc/03/04/71/772030471.db2.gz VHGCGMQUENBKIA-HNNXBMFYSA-N 2 0 291.439 1.274 20 30 CDEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCCOCC)C1 ZINC000303898183 772056032 /nfs/dbraw/zinc/05/60/32/772056032.db2.gz VJYIHKABYJTTNO-ZDUSSCGKSA-N 2 0 270.421 1.049 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000999126425 772067868 /nfs/dbraw/zinc/06/78/68/772067868.db2.gz NJEGEUGCBRSXFX-UHFFFAOYSA-N 2 0 282.347 1.160 20 30 CDEDRP CC1([NH3+])CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000704518496 772091169 /nfs/dbraw/zinc/09/11/69/772091169.db2.gz MFCOXGNGZNERKQ-AWEZNQCLSA-N 2 0 259.353 1.405 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000999364303 772295369 /nfs/dbraw/zinc/29/53/69/772295369.db2.gz LJJAVUQWIYCXEL-AWEZNQCLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001038624441 772375445 /nfs/dbraw/zinc/37/54/45/772375445.db2.gz OHVVRMHBWIIZIP-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000923422822 772437705 /nfs/dbraw/zinc/43/77/05/772437705.db2.gz SSBKPCPAVINTJW-MJBXVCDLSA-N 2 0 259.353 1.307 20 30 CDEDRP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2C1 ZINC001049082440 772439698 /nfs/dbraw/zinc/43/96/98/772439698.db2.gz HLCDPINSZHMOEW-TXEJJXNPSA-N 2 0 294.786 1.095 20 30 CDEDRP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001026464289 772585369 /nfs/dbraw/zinc/58/53/69/772585369.db2.gz BGWDMVKCMHEEHB-YMAMQOFZSA-N 2 0 279.428 1.674 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001052713261 772618567 /nfs/dbraw/zinc/61/85/67/772618567.db2.gz UMDOLSYDPCFXDW-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP N#CC[C@@H](O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000929508844 772714613 /nfs/dbraw/zinc/71/46/13/772714613.db2.gz GKKLFJOOHLHCDV-JKSUJKDBSA-N 2 0 279.428 1.849 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076462086 772757878 /nfs/dbraw/zinc/75/78/78/772757878.db2.gz HNVKGXURSLAXNE-OWCLPIDISA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028844980 772766688 /nfs/dbraw/zinc/76/66/88/772766688.db2.gz FMGWVPLCLUJYGJ-HOTGVXAUSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCC)C[C@H]2C)CC1 ZINC000989829811 772817839 /nfs/dbraw/zinc/81/78/39/772817839.db2.gz WWMCQHWSYDRXDQ-GDBMZVCRSA-N 2 0 291.439 1.321 20 30 CDEDRP C[NH+]=C(NCC1(C)CC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261933776 772837915 /nfs/dbraw/zinc/83/79/15/772837915.db2.gz BZPLGQGLNQLILE-WCQYABFASA-N 2 0 264.417 1.434 20 30 CDEDRP CC[NH+]=C(NCC(F)F)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261976266 772846309 /nfs/dbraw/zinc/84/63/09/772846309.db2.gz NSQUEOOEONEWII-MWLCHTKSSA-N 2 0 274.359 1.289 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001016330381 772856482 /nfs/dbraw/zinc/85/64/82/772856482.db2.gz SBXMWEVGQDGSOO-INIZCTEOSA-N 2 0 299.418 1.576 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009200836 772857912 /nfs/dbraw/zinc/85/79/12/772857912.db2.gz HJOLGTRGCZMSBI-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+]C1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001026522225 772859459 /nfs/dbraw/zinc/85/94/59/772859459.db2.gz WGTTVUYKSYGJSO-UHFFFAOYSA-N 2 0 291.439 1.818 20 30 CDEDRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=[NH2+])N2CCOCC2)C1 ZINC000104178851 772877642 /nfs/dbraw/zinc/87/76/42/772877642.db2.gz REQBESJDWGERHV-ZIAGYGMSSA-N 2 0 296.459 1.390 20 30 CDEDRP C=C(C)CC[NH+]1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001031816708 772881912 /nfs/dbraw/zinc/88/19/12/772881912.db2.gz JEOCBPMCYXYUCA-UHFFFAOYSA-N 2 0 298.390 1.962 20 30 CDEDRP C=C(Cl)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000852751128 772947529 /nfs/dbraw/zinc/94/75/29/772947529.db2.gz QEUYQABVSKZDIT-STQMWFEESA-N 2 0 258.793 1.957 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014892192 772991311 /nfs/dbraw/zinc/99/13/11/772991311.db2.gz BXUIJUPTNFZNFK-OAHLLOKOSA-N 2 0 291.439 1.629 20 30 CDEDRP C#CCN(C(=O)C[NH+]1CCC(C)CC1)C1CC[NH+](C)CC1 ZINC000886579858 773003752 /nfs/dbraw/zinc/00/37/52/773003752.db2.gz LDOYKVQEPRGVNK-UHFFFAOYSA-N 2 0 291.439 1.274 20 30 CDEDRP CN(C)C(=[NH+]C[C@@H]1[N@H+](C)CCCC1(C)C)N(C)C ZINC000849024413 773019183 /nfs/dbraw/zinc/01/91/83/773019183.db2.gz WJZRHFKESNUQEQ-LBPRGKRZSA-N 2 0 254.422 1.586 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000996477701 773156397 /nfs/dbraw/zinc/15/63/97/773156397.db2.gz MWGYJTWEHRKFET-GDBMZVCRSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039321496 773394684 /nfs/dbraw/zinc/39/46/84/773394684.db2.gz BDJKVPKSAIFPPL-WZYMTQMTSA-N 2 0 291.439 1.626 20 30 CDEDRP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033353185 773528838 /nfs/dbraw/zinc/52/88/38/773528838.db2.gz DWNHORVFCPQJHZ-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001052498582 773549185 /nfs/dbraw/zinc/54/91/85/773549185.db2.gz ILZKBLSXAFSNRN-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001017616303 773565592 /nfs/dbraw/zinc/56/55/92/773565592.db2.gz AAEHZLKPXBVVDP-OWCLPIDISA-N 2 0 291.439 1.578 20 30 CDEDRP C=CCOC1CCC([NH+]2CCN(CCC[NH3+])CC2)CC1 ZINC001173313814 912413489 /nfs/dbraw/zinc/41/34/89/912413489.db2.gz FINYFSPNEPPGNN-UHFFFAOYSA-N 2 0 281.444 1.467 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106250046 913716078 /nfs/dbraw/zinc/71/60/78/913716078.db2.gz XDUJOQGYJPMJDG-BMFZPTHFSA-N 2 0 291.439 1.034 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106321530 913856846 /nfs/dbraw/zinc/85/68/46/913856846.db2.gz AIRZWQOGGUENIZ-OAGGEKHMSA-N 2 0 291.439 1.178 20 30 CDEDRP O=C(C[NH+]1CCCC1)NCCC[NH2+]CC#Cc1ccccc1 ZINC001176096343 913934665 /nfs/dbraw/zinc/93/46/65/913934665.db2.gz QTYAYRJURYZBOT-UHFFFAOYSA-N 2 0 299.418 1.230 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167626553 897094858 /nfs/dbraw/zinc/09/48/58/897094858.db2.gz DCOLSXKPKBWKFO-HNNXBMFYSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001105011755 899783251 /nfs/dbraw/zinc/78/32/51/899783251.db2.gz TWUCBYKQNLLIAL-HUUCEWRRSA-N 2 0 279.428 1.342 20 30 CDEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001112523312 900234961 /nfs/dbraw/zinc/23/49/61/900234961.db2.gz MOLWYBAHRCCKTJ-HOCLYGCPSA-N 2 0 279.428 1.342 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001270159616 904405482 /nfs/dbraw/zinc/40/54/82/904405482.db2.gz XLZBCCBJQUGIJD-MRXNPFEDSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189400822 921474245 /nfs/dbraw/zinc/47/42/45/921474245.db2.gz OLWJLKQTVDFMTR-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092774904 909510694 /nfs/dbraw/zinc/51/06/94/909510694.db2.gz YYWTWHJATVZQKQ-HUUCEWRRSA-N 2 0 291.439 1.485 20 30 CDEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCN1CC[NH+](C)CC1 ZINC001172291395 911590424 /nfs/dbraw/zinc/59/04/24/911590424.db2.gz JHKJMQWZUVEKFS-OAHLLOKOSA-N 2 0 286.423 1.326 20 30 CDEDRP C=CCNC(=O)[C@H]1CC12CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001273029494 921680911 /nfs/dbraw/zinc/68/09/11/921680911.db2.gz HKBVUOCBBVXBRN-OAHLLOKOSA-N 2 0 291.439 1.390 20 30 CDEDRP CC(C)(C)OC(=O)N1CC[C@H](NC(C)(C)C[NH3+])C[C@H]1C#N ZINC001172967599 912108676 /nfs/dbraw/zinc/10/86/76/912108676.db2.gz YPXJGAATKZUESG-RYUDHWBXSA-N 2 0 296.415 1.605 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001106910737 915647416 /nfs/dbraw/zinc/64/74/16/915647416.db2.gz MIKDXCQWYOQZBJ-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=C(C)C[NH2+]CCCCCCNC(=O)CC[NH+](C)C ZINC001179461125 915841166 /nfs/dbraw/zinc/84/11/66/915841166.db2.gz BAVRVVTZQIHALE-UHFFFAOYSA-N 2 0 269.433 1.780 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001179549744 915878874 /nfs/dbraw/zinc/87/88/74/915878874.db2.gz IRWSQPLTIMXUKK-GJZGRUSLSA-N 2 0 293.455 1.567 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001179591013 915887951 /nfs/dbraw/zinc/88/79/51/915887951.db2.gz NRAHTWFGNUTWND-HZPDHXFCSA-N 2 0 293.455 1.474 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001180221678 916202624 /nfs/dbraw/zinc/20/26/24/916202624.db2.gz CICQKHNLSJXSCC-STQMWFEESA-N 2 0 253.390 1.092 20 30 CDEDRP C=C[C@H](O)C[NH+]1CCN(CCC[NH+](CCC)CCC)CC1 ZINC001253585880 935270285 /nfs/dbraw/zinc/27/02/85/935270285.db2.gz DOBOHGNWCJRDNR-KRWDZBQOSA-N 2 0 297.487 1.663 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000303897551 935046835 /nfs/dbraw/zinc/04/68/35/935046835.db2.gz QPJOJNDDZWTLFO-FRRDWIJNSA-N 2 0 270.421 1.046 20 30 CDEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001181736324 917354354 /nfs/dbraw/zinc/35/43/54/917354354.db2.gz MOWHTQWRAKKILQ-RHSMWYFYSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001183082443 918278298 /nfs/dbraw/zinc/27/82/98/918278298.db2.gz VPWAIPIMFKBTPR-NVXWUHKLSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001183648748 918584045 /nfs/dbraw/zinc/58/40/45/918584045.db2.gz YRKGJSKAJKDSLF-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001185448260 919630819 /nfs/dbraw/zinc/63/08/19/919630819.db2.gz WWOXMVODAGBERX-CVEARBPZSA-N 2 0 293.455 1.426 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001185762114 919742864 /nfs/dbraw/zinc/74/28/64/919742864.db2.gz MFOICRVKVKALQL-LSDHHAIUSA-N 2 0 279.428 1.034 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187231506 920415614 /nfs/dbraw/zinc/41/56/14/920415614.db2.gz MUNUCLGAKWSJLE-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001188158502 920907000 /nfs/dbraw/zinc/90/70/00/920907000.db2.gz QSGAZIYFCYAKIU-CYBMUJFWSA-N 2 0 253.390 1.093 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203027225 936705813 /nfs/dbraw/zinc/70/58/13/936705813.db2.gz DAICHZOAPFBKLR-ZIAGYGMSSA-N 2 0 289.423 1.121 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033427058 922209399 /nfs/dbraw/zinc/20/93/99/922209399.db2.gz XJNRKKYTIKGVKR-OAHLLOKOSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001099353610 936786475 /nfs/dbraw/zinc/78/64/75/936786475.db2.gz DHQZIGXPVXHAAH-OAHLLOKOSA-N 2 0 293.455 1.567 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001101063678 936955179 /nfs/dbraw/zinc/95/51/79/936955179.db2.gz NIEMNLDPWAGJKS-UHFFFAOYSA-N 2 0 293.455 1.923 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101418473 936971432 /nfs/dbraw/zinc/97/14/32/936971432.db2.gz TZHCBRSBESHRGV-WBVHZDCISA-N 2 0 293.455 1.685 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001084448477 925257660 /nfs/dbraw/zinc/25/76/60/925257660.db2.gz ZBNNLPDZAYPPCO-BZUAXINKSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815371 937015741 /nfs/dbraw/zinc/01/57/41/937015741.db2.gz DEHHOYLGAQMKDQ-OAGGEKHMSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366494 937053951 /nfs/dbraw/zinc/05/39/51/937053951.db2.gz HEGSPXDEHVAUEH-RBSFLKMASA-N 2 0 279.428 1.341 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001201619289 926360683 /nfs/dbraw/zinc/36/06/83/926360683.db2.gz JUKUZLNXSYDZDW-UHFFFAOYSA-N 2 0 296.374 1.552 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001202170694 926487476 /nfs/dbraw/zinc/48/74/76/926487476.db2.gz GHXWOALOVMAYMA-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102780912 937087554 /nfs/dbraw/zinc/08/75/54/937087554.db2.gz VCGIDLWAILOIJW-OAGGEKHMSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001086253347 926898350 /nfs/dbraw/zinc/89/83/50/926898350.db2.gz BZRCPSVQBZETGY-WCVJEAGWSA-N 2 0 291.439 1.224 20 30 CDEDRP C=CCC[NH+]1CCO[C@](C)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001108325179 927391139 /nfs/dbraw/zinc/39/11/39/927391139.db2.gz MNYTZHVMDDQTFR-MRXNPFEDSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103998114 937183695 /nfs/dbraw/zinc/18/36/95/937183695.db2.gz JUKITEDXKLWSIA-KFWWJZLASA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001110711827 928617874 /nfs/dbraw/zinc/61/78/74/928617874.db2.gz QZCQZQHWILLOAD-TUVASFSCSA-N 2 0 279.428 1.624 20 30 CDEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CC)C2 ZINC001108790789 928634980 /nfs/dbraw/zinc/63/49/80/928634980.db2.gz IYVMCGKXLFZZII-XHSDSOJGSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001206030693 929072630 /nfs/dbraw/zinc/07/26/30/929072630.db2.gz HERQRFKZFZUJQO-HOCLYGCPSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152147909 937338974 /nfs/dbraw/zinc/33/89/74/937338974.db2.gz NHGALBHMUFXUKM-CHWSQXEVSA-N 2 0 253.390 1.141 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152148850 937339915 /nfs/dbraw/zinc/33/99/15/937339915.db2.gz SEBIHWHYEAGEJL-KBPBESRZSA-N 2 0 267.417 1.531 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135475459 930218493 /nfs/dbraw/zinc/21/84/93/930218493.db2.gz APXRFLOBJVKMLR-LSDHHAIUSA-N 2 0 295.471 1.861 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135688274 930360222 /nfs/dbraw/zinc/36/02/22/930360222.db2.gz JWNSTSKXVOIFIY-HNNXBMFYSA-N 2 0 281.444 1.779 20 30 CDEDRP N#Cc1ccc2ccnc(N[C@H]([NH3+])CCC[NH3+])c2c1 ZINC001159784912 930848125 /nfs/dbraw/zinc/84/81/25/930848125.db2.gz MDHLCYCXJZCTEG-ZDUSSCGKSA-N 2 0 255.325 1.542 20 30 CDEDRP C=C[C@@H](O)C[NH2+]CCSCc1ccc(C[NH+](C)C)o1 ZINC001253564912 931091331 /nfs/dbraw/zinc/09/13/31/931091331.db2.gz JYSMNFWKNQNUJP-GFCCVEGCSA-N 2 0 284.425 1.711 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146396586 932243403 /nfs/dbraw/zinc/24/34/03/932243403.db2.gz BEPMLSSLEBBRAU-JKSUJKDBSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146609651 932271582 /nfs/dbraw/zinc/27/15/82/932271582.db2.gz FUMKYEPRAMAAGG-GJZGRUSLSA-N 2 0 281.444 1.921 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCF)CC1 ZINC001146614552 932271782 /nfs/dbraw/zinc/27/17/82/932271782.db2.gz YJEMASAPZPSSTI-UONOGXRCSA-N 2 0 297.418 1.174 20 30 CDEDRP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001146718853 932289144 /nfs/dbraw/zinc/28/91/44/932289144.db2.gz IEYYAJRSFSOGGA-UHFFFAOYSA-N 2 0 294.424 1.167 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001148551042 932738277 /nfs/dbraw/zinc/73/82/77/932738277.db2.gz FLCCXYATLZQHBO-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001206132225 932842392 /nfs/dbraw/zinc/84/23/92/932842392.db2.gz AEQAAMVSAXDTKL-UHFFFAOYSA-N 2 0 279.428 1.342 20 30 CDEDRP C[C@@H]1C[NH+](CCCC[NH2+]C[C@@H](C#N)CCC#N)C[C@@H](C)O1 ZINC001120480896 937802080 /nfs/dbraw/zinc/80/20/80/937802080.db2.gz GYXPYDMQVVQPBJ-BZUAXINKSA-N 2 0 292.427 1.909 20 30 CDEDRP Cc1ccc(C)c(OC[C@H](O)C[NH2+]CC#CC[NH+](C)C)c1 ZINC001120492818 937803560 /nfs/dbraw/zinc/80/35/60/937803560.db2.gz PMWTUYOUSCACDH-MRXNPFEDSA-N 2 0 290.407 1.198 20 30 CDEDRP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001048816995 936080433 /nfs/dbraw/zinc/08/04/33/936080433.db2.gz GRKBMGGGYTYVPA-XHSDSOJGSA-N 2 0 291.439 1.435 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)CCC[NH+](C)C)C2)C1 ZINC001121653832 937878748 /nfs/dbraw/zinc/87/87/48/937878748.db2.gz MFWHDVDVFADGAT-UHFFFAOYSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)CC)C2)C1 ZINC001122021571 937899621 /nfs/dbraw/zinc/89/96/21/937899621.db2.gz ARGVBOFVVWNLDZ-UHFFFAOYSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374567 938359776 /nfs/dbraw/zinc/35/97/76/938359776.db2.gz STCKDDOVEOLERL-HUUCEWRRSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156466809 938370562 /nfs/dbraw/zinc/37/05/62/938370562.db2.gz VYCHSBKASOHTGB-CQSZACIVSA-N 2 0 269.433 1.731 20 30 CDEDRP N#Cc1cc2nc(NC(=[NH2+])NCCCC[NH3+])ccc2[nH]1 ZINC001157099222 938454067 /nfs/dbraw/zinc/45/40/67/938454067.db2.gz LKNSBMXFJYVCKT-UHFFFAOYSA-N 2 0 271.328 1.110 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001159911462 938759410 /nfs/dbraw/zinc/75/94/10/938759410.db2.gz YQOGZLJITATXJJ-OAHLLOKOSA-N 2 0 279.428 1.369 20 30 CDEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001161240274 938882370 /nfs/dbraw/zinc/88/23/70/938882370.db2.gz RACBIUWLSPZGJW-INIZCTEOSA-N 2 0 291.439 1.488 20 30 CDEDRP Cc1ccc(CC#N)c(NCCC[NH2+]CCCC[NH3+])n1 ZINC001162294257 938972845 /nfs/dbraw/zinc/97/28/45/938972845.db2.gz FIAJHCKZOFJYEB-UHFFFAOYSA-N 2 0 275.400 1.587 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163850895 939341978 /nfs/dbraw/zinc/34/19/78/939341978.db2.gz ATPJEMKNZMWKLM-UHFFFAOYSA-N 2 0 281.444 1.923 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166677556 939625383 /nfs/dbraw/zinc/62/53/83/939625383.db2.gz JYCZMXWTZKBTGS-GJZGRUSLSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166677173 939625567 /nfs/dbraw/zinc/62/55/67/939625567.db2.gz GHQOKQVOHZWCPC-CYBMUJFWSA-N 2 0 253.390 1.000 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001166690461 939626761 /nfs/dbraw/zinc/62/67/61/939626761.db2.gz BBHZTFURCKXVHF-UONOGXRCSA-N 2 0 267.417 1.246 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001166979465 939666058 /nfs/dbraw/zinc/66/60/58/939666058.db2.gz WOGAGNMZDUOGMS-UHFFFAOYSA-N 2 0 291.439 1.228 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203516301 939690440 /nfs/dbraw/zinc/69/04/40/939690440.db2.gz XJWSSIJUUHMJEG-ZIAGYGMSSA-N 2 0 279.428 1.531 20 30 CDEDRP N#Cc1cccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1F ZINC001205257479 939843505 /nfs/dbraw/zinc/84/35/05/939843505.db2.gz VTSXTLLBFAGRPZ-OAHLLOKOSA-N 2 0 277.343 1.373 20 30 CDEDRP N#Cc1cccc2c(C[N@H+]3CCCC[C@@](O)(C[NH3+])C3)c[nH]c21 ZINC001205682257 939918566 /nfs/dbraw/zinc/91/85/66/939918566.db2.gz QUAOZBCRRHIQGB-QGZVFWFLSA-N 2 0 298.390 1.715 20 30 CDEDRP C[C@H]1C[N@H+](Cc2cncc(C#N)c2)CCC[C@@H]1C[NH3+] ZINC001206012827 939967039 /nfs/dbraw/zinc/96/70/39/939967039.db2.gz OEJZLCWGXKOOCL-SWLSCSKDSA-N 2 0 258.369 1.760 20 30 CDEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206929054 940113538 /nfs/dbraw/zinc/11/35/38/940113538.db2.gz SKBITXPGYUKHCX-INIZCTEOSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208448192 940331106 /nfs/dbraw/zinc/33/11/06/940331106.db2.gz WEPWHUCNRUEPPA-AWEZNQCLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCCCC[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001209204938 940447438 /nfs/dbraw/zinc/44/74/38/940447438.db2.gz LYAZCVVFCWKTLY-UHFFFAOYSA-N 2 0 253.434 1.912 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209455426 940592978 /nfs/dbraw/zinc/59/29/78/940592978.db2.gz SEWVQAKSQUOIMY-ZDUSSCGKSA-N 2 0 253.390 1.095 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210684447 940706172 /nfs/dbraw/zinc/70/61/72/940706172.db2.gz GNKANLUYDFRTLN-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211125048 940731998 /nfs/dbraw/zinc/73/19/98/940731998.db2.gz BEAYIZQXUFMBEO-MRXNPFEDSA-N 2 0 291.439 1.466 20 30 CDEDRP C=CCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001213678428 940782498 /nfs/dbraw/zinc/78/24/98/940782498.db2.gz VVPJDNBBJZFMJE-HUUCEWRRSA-N 2 0 297.443 1.110 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214754803 940838042 /nfs/dbraw/zinc/83/80/42/940838042.db2.gz HSBVJFLGBJEYTR-RBSFLKMASA-N 2 0 297.418 1.126 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423533 940885729 /nfs/dbraw/zinc/88/57/29/940885729.db2.gz OSDGWHPNIISXGK-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP N#Cc1ccc([C@H](O)C[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000402204927 940891249 /nfs/dbraw/zinc/89/12/49/940891249.db2.gz DRVYUHPHFKFGPY-MRXNPFEDSA-N 2 0 273.380 1.652 20 30 CDEDRP CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218558651 941236524 /nfs/dbraw/zinc/23/65/24/941236524.db2.gz JUBASCVUQPJLJU-LBPRGKRZSA-N 2 0 291.399 1.510 20 30 CDEDRP Cc1cc(C#N)c(F)cc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001219112667 941309913 /nfs/dbraw/zinc/30/99/13/941309913.db2.gz PZORDUHHQARAFN-NSHDSACASA-N 2 0 264.304 1.011 20 30 CDEDRP CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001221292462 941513498 /nfs/dbraw/zinc/51/34/98/941513498.db2.gz MDVYZNLZHUSLBR-HOCLYGCPSA-N 2 0 296.459 1.927 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223378449 941674124 /nfs/dbraw/zinc/67/41/24/941674124.db2.gz JRHQNNSAMAUMJE-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)CCC[NH+](C)C)CC1 ZINC001224254025 941734280 /nfs/dbraw/zinc/73/42/80/941734280.db2.gz OXOFDRKPHUKSFM-UHFFFAOYSA-N 2 0 267.417 1.342 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230262933 942597231 /nfs/dbraw/zinc/59/72/31/942597231.db2.gz YGZCXGDVVPBQBA-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001234643076 943924482 /nfs/dbraw/zinc/92/44/82/943924482.db2.gz MALSKJRGIZYARJ-HUUCEWRRSA-N 2 0 299.434 1.775 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001277883252 943942489 /nfs/dbraw/zinc/94/24/89/943942489.db2.gz DULHMYSFTOAGGO-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C[NH+]1CCC(C[NH+]2CCN([C@@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC001254675080 947590207 /nfs/dbraw/zinc/59/02/07/947590207.db2.gz DXTGHVSSLXEHMB-DLBZAZTESA-N 2 0 290.455 1.638 20 30 CDEDRP C[C@@]1(C[NH3+])CCCC[N@@H+]([C@H]2CCN[C@H](C#N)C2)C1 ZINC001246597680 948335941 /nfs/dbraw/zinc/33/59/41/948335941.db2.gz YHXZREZEVRPNEB-IHRRRGAJSA-N 2 0 250.390 1.081 20 30 CDEDRP C[NH+]1CCC(C#N)(NC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256854483 948434863 /nfs/dbraw/zinc/43/48/63/948434863.db2.gz UFDRKQSDIFPVPN-UHFFFAOYSA-N 2 0 299.422 1.628 20 30 CDEDRP N#CC1CCC([NH2+]CCCOCCOCCC[NH3+])CC1 ZINC001256956658 948463332 /nfs/dbraw/zinc/46/33/32/948463332.db2.gz YPLDJEVYMIYXMW-UHFFFAOYSA-N 2 0 283.416 1.430 20 30 CDEDRP C#CCOCCOCC[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC001258004558 948677022 /nfs/dbraw/zinc/67/70/22/948677022.db2.gz GAXUPSUHEQDMMX-UHFFFAOYSA-N 2 0 282.428 1.363 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]C1CC[NH+](CC2CCC2)CC1 ZINC001252490602 951361016 /nfs/dbraw/zinc/36/10/16/951361016.db2.gz JRCPTUCSRMIYQG-INIZCTEOSA-N 2 0 282.428 1.404 20 30 CDEDRP CC[NH+](CC)C[C@@H](O)CNC(=[NH2+])c1ccc(C)c(C)c1 ZINC001253216121 951819600 /nfs/dbraw/zinc/81/96/00/951819600.db2.gz IJSAOWKKCNPWKJ-HNNXBMFYSA-N 2 0 277.412 1.711 20 30 CDEDRP C=C[C@H](O)C[NH2+]CC1CC[NH+](CC2CCC2)CC1 ZINC001253606627 951991704 /nfs/dbraw/zinc/99/17/04/951991704.db2.gz LGAXRALWZIRFPM-HNNXBMFYSA-N 2 0 252.402 1.635 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001328281413 955250093 /nfs/dbraw/zinc/25/00/93/955250093.db2.gz CPKMQWFPSPPFDF-GJZGRUSLSA-N 2 0 279.428 1.321 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001366386677 956788578 /nfs/dbraw/zinc/78/85/78/956788578.db2.gz AFTZOWCYFSXSSI-LBPRGKRZSA-N 2 0 273.808 1.271 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC001340853571 963156640 /nfs/dbraw/zinc/15/66/40/963156640.db2.gz OCCWLWIGDXRSRA-YPMHNXCESA-N 2 0 253.390 1.269 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001341892625 963573289 /nfs/dbraw/zinc/57/32/89/963573289.db2.gz IQCIUKZLUOACCJ-CHWSQXEVSA-N 2 0 265.401 1.461 20 30 CDEDRP C=CCN1CC[C@H]([N@@H+]2CCCC3(CC[NH2+]CC3)C2)C1=O ZINC001346017771 964889798 /nfs/dbraw/zinc/88/97/98/964889798.db2.gz PIMNSJNVFJBZAU-AWEZNQCLSA-N 2 0 277.412 1.239 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001100410963 968271504 /nfs/dbraw/zinc/27/15/04/968271504.db2.gz WHUWDZUIJATYEX-UHFFFAOYSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001100476486 968459575 /nfs/dbraw/zinc/45/95/75/968459575.db2.gz QKCUYFMILVWCTJ-UHFFFAOYSA-N 2 0 289.423 1.123 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001100674333 968923629 /nfs/dbraw/zinc/92/36/29/968923629.db2.gz ROAOJCAUMMIHSI-HSBZDZAISA-N 2 0 299.846 1.708 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001378556916 975392479 /nfs/dbraw/zinc/39/24/79/975392479.db2.gz PCKHRCDLHAGZJN-CMPLNLGQSA-N 2 0 273.808 1.175 20 30 CDEDRP C=CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132411255 1163278137 /nfs/dbraw/zinc/27/81/37/1163278137.db2.gz XAWAUZGASZVSOH-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001132435456 1163289618 /nfs/dbraw/zinc/28/96/18/1163289618.db2.gz DSLQQVDCBCCRAR-HUUCEWRRSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001132738015 1163459308 /nfs/dbraw/zinc/45/93/08/1163459308.db2.gz TWKUGCMZVAMQFE-CYBMUJFWSA-N 2 0 253.390 1.000 20 30 CDEDRP C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C[NH+]1CCCCC1 ZINC000594441572 342907465 /nfs/dbraw/zinc/90/74/65/342907465.db2.gz STQMRXDMRZDQEY-LSDHHAIUSA-N 2 0 294.443 1.636 20 30 CDEDRP N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]([NH3+])C3)CC2)nc1 ZINC000594583040 342921259 /nfs/dbraw/zinc/92/12/59/342921259.db2.gz RPSUHKLCFQDSTR-GOEBONIOSA-N 2 0 299.422 1.782 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595935175 343192422 /nfs/dbraw/zinc/19/24/22/343192422.db2.gz AQKFQAUCBQZPLT-LSDHHAIUSA-N 2 0 292.427 1.246 20 30 CDEDRP C[N@H+](CCCC[NH2+]C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598728240 343886867 /nfs/dbraw/zinc/88/68/67/343886867.db2.gz PLZZCUQYPJCCOZ-CQSZACIVSA-N 2 0 267.417 1.751 20 30 CDEDRP N#CCN1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000611104156 346609273 /nfs/dbraw/zinc/60/92/73/346609273.db2.gz CCQBRVNEDWGGOE-LSDHHAIUSA-N 2 0 262.401 1.191 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000069470804 349100966 /nfs/dbraw/zinc/10/09/66/349100966.db2.gz BNPDBKJVVNMDJR-OAHLLOKOSA-N 2 0 291.439 1.180 20 30 CDEDRP CC[C@@H](C)NC(=[NH2+])NCc1ccccc1OCC[NH+](C)C ZINC000264123703 362973127 /nfs/dbraw/zinc/97/31/27/362973127.db2.gz VRAARCYPFFBBKD-CYBMUJFWSA-N 2 0 292.427 1.830 20 30 CDEDRP CCNC(=[NH2+])NCc1cccc(C[NH+](CC)CC)c1 ZINC000264129789 362974555 /nfs/dbraw/zinc/97/45/55/362974555.db2.gz XOGRHQXWYNFLQM-UHFFFAOYSA-N 2 0 262.401 1.953 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000261800978 359063856 /nfs/dbraw/zinc/06/38/56/359063856.db2.gz LADGZVCBUXSMFJ-CYBMUJFWSA-N 2 0 265.401 1.143 20 30 CDEDRP C=CCOCCC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000348031796 359781668 /nfs/dbraw/zinc/78/16/68/359781668.db2.gz KXCOWVNMFNENCC-MRXNPFEDSA-N 2 0 295.471 1.679 20 30 CDEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000246882130 360957954 /nfs/dbraw/zinc/95/79/54/360957954.db2.gz IDWVLJMDZFFEQL-KBPBESRZSA-N 2 0 290.411 1.365 20 30 CDEDRP COc1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1C#N ZINC000266191178 370717816 /nfs/dbraw/zinc/71/78/16/370717816.db2.gz YOZYWIYSQRLEJB-UHFFFAOYSA-N 2 0 289.379 1.113 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCC(C)C)CC1 ZINC000638098813 368335644 /nfs/dbraw/zinc/33/56/44/368335644.db2.gz DEGWJRSZEHJTIQ-AWEZNQCLSA-N 2 0 267.417 1.517 20 30 CDEDRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421339483 244651206 /nfs/dbraw/zinc/65/12/06/244651206.db2.gz GLCAOSRTSUKJHS-UHFFFAOYSA-N 2 0 290.386 1.424 20 30 CDEDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000177685221 372109888 /nfs/dbraw/zinc/10/98/88/372109888.db2.gz ZUSFIXYYKUZXBU-CYBMUJFWSA-N 2 0 292.452 1.735 20 30 CDEDRP CC[C@H]([NH3+])C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423478439 374383039 /nfs/dbraw/zinc/38/30/39/374383039.db2.gz UPDJUXCFMOUMTG-AWEZNQCLSA-N 2 0 272.396 1.854 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417521528 377818984 /nfs/dbraw/zinc/81/89/84/377818984.db2.gz FMEYGLCINLWATN-HIFRSBDPSA-N 2 0 294.443 1.454 20 30 CDEDRP C=CCC[N@@H+](CCC)CCN1CC[NH+](CC)CC1 ZINC000344117662 379176085 /nfs/dbraw/zinc/17/60/85/379176085.db2.gz BRWGWPNFYQTLCK-UHFFFAOYSA-N 2 0 253.434 1.912 20 30 CDEDRP CCN(CCC#N)C(=O)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000152414787 390661431 /nfs/dbraw/zinc/66/14/31/390661431.db2.gz AKCIDSUILOMCHZ-AWEZNQCLSA-N 2 0 280.416 1.022 20 30 CDEDRP C=CCN1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000339066019 391248814 /nfs/dbraw/zinc/24/88/14/391248814.db2.gz AEPXHULYFNCDOJ-JKSUJKDBSA-N 2 0 263.429 1.853 20 30 CDEDRP CCN(CCC#N)C(=O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339440269 391303529 /nfs/dbraw/zinc/30/35/29/391303529.db2.gz PNBKQOXSNKDOSU-INIZCTEOSA-N 2 0 292.427 1.166 20 30 CDEDRP C#Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000283955661 391698761 /nfs/dbraw/zinc/69/87/61/391698761.db2.gz IFFWNHHVQGYWJW-LJQANCHMSA-N 2 0 297.446 1.880 20 30 CDEDRP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058184934 391917029 /nfs/dbraw/zinc/91/70/29/391917029.db2.gz NMODIIPCQRNMIB-INIZCTEOSA-N 2 0 286.423 1.989 20 30 CDEDRP C=CC[C@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000656787166 413666338 /nfs/dbraw/zinc/66/63/38/413666338.db2.gz FBBDWGHBOSCGQQ-LSDHHAIUSA-N 2 0 279.428 1.472 20 30 CDEDRP C#CCC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285418901 196278894 /nfs/dbraw/zinc/27/88/94/196278894.db2.gz JNDGWYKQOMQXKJ-UHFFFAOYSA-N 2 0 285.435 1.759 20 30 CDEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(N)=[NH2+] ZINC000057887190 260226367 /nfs/dbraw/zinc/22/63/67/260226367.db2.gz POJWWYXQNGXHSM-GFCCVEGCSA-N 2 0 260.385 1.834 20 30 CDEDRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)CCC#N)C2)CC1 ZINC000351489219 276386750 /nfs/dbraw/zinc/38/67/50/276386750.db2.gz CQGDSHPDEZMBPD-HUUCEWRRSA-N 2 0 264.417 1.390 20 30 CDEDRP C[NH+]=C(NCc1ccccn1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261948664 328143280 /nfs/dbraw/zinc/14/32/80/328143280.db2.gz GQNKUWTZFXJIJW-IUODEOHRSA-N 2 0 287.411 1.229 20 30 CDEDRP C[NH+]=C(NCc1nccs1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261945714 328143347 /nfs/dbraw/zinc/14/33/47/328143347.db2.gz FTKZJTXVYMCDIU-PWSUYJOCSA-N 2 0 293.440 1.291 20 30 CDEDRP CC(C)CNC(=[NH2+])NCCN(C)Cc1ccc(F)cc1 ZINC000267275884 328177027 /nfs/dbraw/zinc/17/70/27/328177027.db2.gz FWEKTCWRNALNEL-UHFFFAOYSA-N 2 0 280.391 1.818 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)CCCC[NH3+])CC1 ZINC000417527377 328496275 /nfs/dbraw/zinc/49/62/75/328496275.db2.gz NLIYKCWTIMGUDH-ZDUSSCGKSA-N 2 0 282.432 1.454 20 30 CDEDRP C=CCOCC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000559106493 327141649 /nfs/dbraw/zinc/14/16/49/327141649.db2.gz UDMOWANXROYFMM-INIZCTEOSA-N 2 0 281.444 1.289 20 30 CDEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)C1 ZINC000262295617 330004897 /nfs/dbraw/zinc/00/48/97/330004897.db2.gz NJFSZHPMQCBQOR-HUUCEWRRSA-N 2 0 296.459 1.390 20 30 CDEDRP C[C@@H]1C[NH+]=C(NC[C@H]2CCC[N@@H+]2C2CCCCC2)N1 ZINC000262682526 330026780 /nfs/dbraw/zinc/02/67/80/330026780.db2.gz WWGKYJQJQJWEFU-TZMCWYRMSA-N 2 0 264.417 1.721 20 30 CDEDRP CC(C)(C)CC[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424126414 330259060 /nfs/dbraw/zinc/25/90/60/330259060.db2.gz BPQDXJYMCJLDBA-AWEZNQCLSA-N 2 0 294.443 1.588 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000424174669 330314423 /nfs/dbraw/zinc/31/44/23/330314423.db2.gz NBYNRYXUZJPTOF-LBPRGKRZSA-N 2 0 290.342 1.431 20 30 CDEDRP C#CCN(C)CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000328127067 330322632 /nfs/dbraw/zinc/32/26/32/330322632.db2.gz UROSGSGKOUYDKR-SOUVJXGZSA-N 2 0 251.418 1.260 20 30 CDEDRP C[NH+]1CCC(N2CCC([NH2+][C@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000442774974 330782103 /nfs/dbraw/zinc/78/21/03/330782103.db2.gz FQBYOFUJBDXUQD-HOCLYGCPSA-N 2 0 290.455 1.827 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)CC1 ZINC000490687967 332104109 /nfs/dbraw/zinc/10/41/09/332104109.db2.gz GDQPZKIYNXBKKS-OAHLLOKOSA-N 2 0 291.439 1.132 20 30 CDEDRP C#CCNC(=O)CCNC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000491453554 332214635 /nfs/dbraw/zinc/21/46/35/332214635.db2.gz SJJPNHCZTCKVOG-MRXNPFEDSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001755560414 1160218965 /nfs/dbraw/zinc/21/89/65/1160218965.db2.gz WHGZZQOSESPGOJ-HNNXBMFYSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001014963708 1161057007 /nfs/dbraw/zinc/05/70/07/1161057007.db2.gz OLKJVDMXUSTLHA-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001113671990 1162254150 /nfs/dbraw/zinc/25/41/50/1162254150.db2.gz KVLOSUCEXHPHJQ-IYBDPMFKSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[NH+]1CCC(N[C@@H]2C[N@H+](CC)C[C@H]2C)CC1 ZINC000344259418 526604043 /nfs/dbraw/zinc/60/40/43/526604043.db2.gz MUILJJUCVIFETC-GDBMZVCRSA-N 2 0 265.445 1.957 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000764607058 575924482 /nfs/dbraw/zinc/92/44/82/575924482.db2.gz UAQHZXYDCNYUDT-UHFFFAOYSA-N 2 0 297.443 1.064 20 30 CDEDRP C#CCCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000766895458 576143765 /nfs/dbraw/zinc/14/37/65/576143765.db2.gz MRECZXIPBQBUCE-UHFFFAOYSA-N 2 0 250.386 1.444 20 30 CDEDRP C#CCCCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000760215578 576466722 /nfs/dbraw/zinc/46/67/22/576466722.db2.gz HTNUAGLMPREESR-MRXNPFEDSA-N 2 0 293.455 1.664 20 30 CDEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001690128026 1175382485 /nfs/dbraw/zinc/38/24/85/1175382485.db2.gz IRDDBHMLQLDYMQ-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000963562844 612955700 /nfs/dbraw/zinc/95/57/00/612955700.db2.gz FZXAYTGHXTWYII-GPANFISMSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000948069794 613131245 /nfs/dbraw/zinc/13/12/45/613131245.db2.gz KNDAWOVYUHYVNW-GOEBONIOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947935218 613334702 /nfs/dbraw/zinc/33/47/02/613334702.db2.gz PLMXKQRHTIFPMO-GJZGRUSLSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000968903970 613348670 /nfs/dbraw/zinc/34/86/70/613348670.db2.gz DFTGQUZMLHJMPA-HZPDHXFCSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+]1CCC ZINC000804777831 617330451 /nfs/dbraw/zinc/33/04/51/617330451.db2.gz LPCOKZWHMBXAGY-ZDUSSCGKSA-N 2 0 253.390 1.095 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939054795 613386900 /nfs/dbraw/zinc/38/69/00/613386900.db2.gz PFAMTGAIDPHJOY-FZMZJTMJSA-N 2 0 299.846 1.517 20 30 CDEDRP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000969144267 613491197 /nfs/dbraw/zinc/49/11/97/613491197.db2.gz ICOAMGFTXLSAEW-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969651814 613536347 /nfs/dbraw/zinc/53/63/47/613536347.db2.gz ARBMVHRHSBWPIQ-HOCLYGCPSA-N 2 0 291.439 1.319 20 30 CDEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000962767090 613838799 /nfs/dbraw/zinc/83/87/99/613838799.db2.gz UREPQVKHVDXBGP-LJISPDSOSA-N 2 0 277.412 1.093 20 30 CDEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000960330575 613870875 /nfs/dbraw/zinc/87/08/75/613870875.db2.gz UVQOZIAOFBVMQR-DJIMGWMZSA-N 2 0 299.418 1.496 20 30 CDEDRP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981527475 613871665 /nfs/dbraw/zinc/87/16/65/613871665.db2.gz JHTTWDIPMCYJDG-UONOGXRCSA-N 2 0 265.401 1.285 20 30 CDEDRP C=C(C)C[NH+]1CCC(N[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925608564 617553054 /nfs/dbraw/zinc/55/30/54/617553054.db2.gz FIUWAYXNKTYEJX-CQSZACIVSA-N 2 0 251.418 1.757 20 30 CDEDRP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCSCC2)C1 ZINC000157384365 617982082 /nfs/dbraw/zinc/98/20/82/617982082.db2.gz GVVKCQNASSWCOE-CQSZACIVSA-N 2 0 298.500 1.718 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000894218588 618730263 /nfs/dbraw/zinc/73/02/63/618730263.db2.gz HGHGZUZQGIBTKH-GJZGRUSLSA-N 2 0 252.402 1.899 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000911655880 629401998 /nfs/dbraw/zinc/40/19/98/629401998.db2.gz KWIMNSYIWIXVCZ-KGLIPLIRSA-N 2 0 269.433 1.885 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130192516 1162567429 /nfs/dbraw/zinc/56/74/29/1162567429.db2.gz PUFARPJZSZCTTG-CHWSQXEVSA-N 2 0 285.819 1.462 20 30 CDEDRP C#C[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397604926 1158586852 /nfs/dbraw/zinc/58/68/52/1158586852.db2.gz PKEHBLIXYXXWAK-OAHLLOKOSA-N 2 0 272.392 1.625 20 30 CDEDRP N#Cc1cccc(N2CC[NH+](CC3CC[NH2+]CC3)CC2)c1 ZINC001207440727 1159534324 /nfs/dbraw/zinc/53/43/24/1159534324.db2.gz GLNDDGSENSYZED-UHFFFAOYSA-N 2 0 284.407 1.680 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001086198385 1161966349 /nfs/dbraw/zinc/96/63/49/1161966349.db2.gz ROCGLWVESPRGSE-BYNSBNAKSA-N 2 0 279.428 1.245 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001113543780 1162210956 /nfs/dbraw/zinc/21/09/56/1162210956.db2.gz DFMBQQMLQMVNLT-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001153653831 1164813311 /nfs/dbraw/zinc/81/33/11/1164813311.db2.gz HJGBQOWHYJCSJG-ZIAGYGMSSA-N 2 0 287.423 1.679 20 30 CDEDRP C[NH+](C)CCCC[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000045697021 1166276142 /nfs/dbraw/zinc/27/61/42/1166276142.db2.gz MCRBJUBOSDFGAN-OAHLLOKOSA-N 2 0 291.395 1.229 20 30 CDEDRP C#CCC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001574545266 1170992039 /nfs/dbraw/zinc/99/20/39/1170992039.db2.gz PCRKPWKGWLUXGB-XGUBFFRZSA-N 2 0 250.386 1.271 20 30 CDEDRP C=CCCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001713913883 1178838376 /nfs/dbraw/zinc/83/83/76/1178838376.db2.gz KRAVJBKZKLXCHX-CQSZACIVSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001731543328 1182444135 /nfs/dbraw/zinc/44/41/35/1182444135.db2.gz RALBKFHHCUYXPA-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001731670710 1182511785 /nfs/dbraw/zinc/51/17/85/1182511785.db2.gz FCUCVWXNTOXOJF-KBPBESRZSA-N 2 0 267.417 1.341 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001732188317 1182840318 /nfs/dbraw/zinc/84/03/18/1182840318.db2.gz YZDCNSOAQQWRSQ-CABCVRRESA-N 2 0 281.444 1.826 20 30 CDEDRP C#CC[NH2+][C@@H](C)CCNC(=O)c1sccc1C[NH+](C)C ZINC001733905096 1183564844 /nfs/dbraw/zinc/56/48/44/1183564844.db2.gz FVDXEBFLQJAAKR-LBPRGKRZSA-N 2 0 293.436 1.541 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001752587959 1184879830 /nfs/dbraw/zinc/87/98/30/1184879830.db2.gz TVAYLVGMJGVFEJ-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001752737821 1184903378 /nfs/dbraw/zinc/90/33/78/1184903378.db2.gz QWFCRIIVDHOLHW-FRRDWIJNSA-N 2 0 253.390 1.140 20 30 CDEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001752766408 1184907259 /nfs/dbraw/zinc/90/72/59/1184907259.db2.gz ITGSTOAXSUINPV-QKPAOTATSA-N 2 0 289.423 1.263 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001752788453 1184913922 /nfs/dbraw/zinc/91/39/22/1184913922.db2.gz JYHLFUISUIKDRU-HNNXBMFYSA-N 2 0 279.428 1.180 20 30 CDEDRP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001752842205 1184928594 /nfs/dbraw/zinc/92/85/94/1184928594.db2.gz VSLFQJHLSRRXSU-CABCVRRESA-N 2 0 279.428 1.178 20 30 CDEDRP C=C(C)C[N@H+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001753053790 1185024875 /nfs/dbraw/zinc/02/48/75/1185024875.db2.gz UKAVABYTHGUTPZ-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001753130944 1185077932 /nfs/dbraw/zinc/07/79/32/1185077932.db2.gz JKTXKVIRUVURTD-HNNXBMFYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001753480032 1185228861 /nfs/dbraw/zinc/22/88/61/1185228861.db2.gz UWJDKSSTLFRAOI-UONOGXRCSA-N 2 0 267.417 1.531 20 30 CDEDRP C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)CCC ZINC001753811781 1185343468 /nfs/dbraw/zinc/34/34/68/1185343468.db2.gz AOTJNPSBKWZUPY-JKSUJKDBSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CC[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001753970998 1185413850 /nfs/dbraw/zinc/41/38/50/1185413850.db2.gz PXHQQLLKHLOLFH-LBPRGKRZSA-N 2 0 253.390 1.141 20 30 CDEDRP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001754182147 1185496043 /nfs/dbraw/zinc/49/60/43/1185496043.db2.gz PBRBVTYEAYOAEC-SGFLJFKBSA-N 2 0 291.439 1.841 20 30 CDEDRP CC#CC[NH2+]CCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001754407139 1185610926 /nfs/dbraw/zinc/61/09/26/1185610926.db2.gz MZWSFFYTFGNLFO-UHFFFAOYSA-N 2 0 293.455 1.568 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001754611830 1185683817 /nfs/dbraw/zinc/68/38/17/1185683817.db2.gz UPWCJSQVYYHGSW-AWEZNQCLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1CCCC1 ZINC001754648691 1185692926 /nfs/dbraw/zinc/69/29/26/1185692926.db2.gz DLBZESRUSRKCGM-INIZCTEOSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001755166833 1185836844 /nfs/dbraw/zinc/83/68/44/1185836844.db2.gz GVTBSZAPIXACOV-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001755197258 1185850455 /nfs/dbraw/zinc/85/04/55/1185850455.db2.gz HBTFOUVBFUDHCD-AWEZNQCLSA-N 2 0 267.417 1.437 20 30 CDEDRP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001755526178 1185980349 /nfs/dbraw/zinc/98/03/49/1185980349.db2.gz BTRWARTXWOKEOT-CABCVRRESA-N 2 0 279.428 1.369 20 30 CDEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001755708159 1186042633 /nfs/dbraw/zinc/04/26/33/1186042633.db2.gz KWPZBYWKGLGRDK-ARFHVFGLSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001755708160 1186043398 /nfs/dbraw/zinc/04/33/98/1186043398.db2.gz KWPZBYWKGLGRDK-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001031811952 778611575 /nfs/dbraw/zinc/61/15/75/778611575.db2.gz GXPJCJYPDZXWCB-UHFFFAOYSA-N 2 0 277.412 1.239 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001049369348 773825243 /nfs/dbraw/zinc/82/52/43/773825243.db2.gz NGFHBIUQUCUHDN-ZNMIVQPWSA-N 2 0 277.412 1.332 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001022290091 773845114 /nfs/dbraw/zinc/84/51/14/773845114.db2.gz FHBJEBYPEVJUID-HZSPNIEDSA-N 2 0 265.401 1.284 20 30 CDEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnc[nH]1 ZINC001017998940 773968308 /nfs/dbraw/zinc/96/83/08/773968308.db2.gz SCCGQCVLSGEALA-OKILXGFUSA-N 2 0 274.368 1.204 20 30 CDEDRP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041832165 773968378 /nfs/dbraw/zinc/96/83/78/773968378.db2.gz UODOARIEJXJHSN-RDJZCZTQSA-N 2 0 291.439 1.439 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000999488597 773984676 /nfs/dbraw/zinc/98/46/76/773984676.db2.gz GONBOXMRTBILNA-OAHLLOKOSA-N 2 0 289.423 1.076 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000999481171 774000856 /nfs/dbraw/zinc/00/08/56/774000856.db2.gz CODAQBYMIOIPRT-OAHLLOKOSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001019274572 774001350 /nfs/dbraw/zinc/00/13/50/774001350.db2.gz GFMCLEHGVHOKAZ-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033199846 774125127 /nfs/dbraw/zinc/12/51/27/774125127.db2.gz ZMUIQWYINDCTQP-ZIAGYGMSSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052935988 774227422 /nfs/dbraw/zinc/22/74/22/774227422.db2.gz XHZYHUXIAYKOAP-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001036059204 774254568 /nfs/dbraw/zinc/25/45/68/774254568.db2.gz CXKBYAIDKVZJTR-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049893748 774286152 /nfs/dbraw/zinc/28/61/52/774286152.db2.gz FACZEPRKNIAMHW-CVEARBPZSA-N 2 0 289.423 1.171 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000999406706 774485824 /nfs/dbraw/zinc/48/58/24/774485824.db2.gz PSMPICFPBHJKRT-HSBZDZAISA-N 2 0 299.846 1.802 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001019468375 774736611 /nfs/dbraw/zinc/73/66/11/774736611.db2.gz SADCCMQRICFTTD-GJZGRUSLSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2occc2CN(C)C)C1 ZINC001015622116 774763210 /nfs/dbraw/zinc/76/32/10/774763210.db2.gz CLSAPMRMNVCRDI-AWEZNQCLSA-N 2 0 289.379 1.169 20 30 CDEDRP C[C@@H](CNC(=[NH2+])N1CCCCC1)C[NH+]1CCCCC1 ZINC000104176436 774836382 /nfs/dbraw/zinc/83/63/82/774836382.db2.gz GMGRICBJWIXOBD-AWEZNQCLSA-N 2 0 266.433 1.909 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033532388 775059084 /nfs/dbraw/zinc/05/90/84/775059084.db2.gz QGGLHWYAPJPODU-INIZCTEOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC000989795970 775082684 /nfs/dbraw/zinc/08/26/84/775082684.db2.gz FLYCOTRUDVATRY-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052938343 775170623 /nfs/dbraw/zinc/17/06/23/775170623.db2.gz VYBAKHLWKIVINE-AWEZNQCLSA-N 2 0 265.401 1.239 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000987252301 775209598 /nfs/dbraw/zinc/20/95/98/775209598.db2.gz FDNCJAXZPRIZLJ-LSDHHAIUSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027962650 775234393 /nfs/dbraw/zinc/23/43/93/775234393.db2.gz XNLWPOYIDKTNSL-OAHLLOKOSA-N 2 0 289.423 1.076 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000996715969 775338535 /nfs/dbraw/zinc/33/85/35/775338535.db2.gz HIUXACIXORPGJU-CYBMUJFWSA-N 2 0 287.835 1.660 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)CC1 ZINC000844644080 775346650 /nfs/dbraw/zinc/34/66/50/775346650.db2.gz JZRIXWQXSBWMON-RBSFLKMASA-N 2 0 291.439 1.271 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001036131233 775491339 /nfs/dbraw/zinc/49/13/39/775491339.db2.gz KCSYODKXKKNGPQ-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001046834240 775671104 /nfs/dbraw/zinc/67/11/04/775671104.db2.gz PEOIOIKYPFNKQY-UKRRQHHQSA-N 2 0 265.401 1.095 20 30 CDEDRP N#Cc1ccc(CN2CCC([NH2+]C[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC000873258219 775810011 /nfs/dbraw/zinc/81/00/11/775810011.db2.gz YDZIWNOVBMEJFG-QAQDUYKDSA-N 2 0 298.434 1.850 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001036298339 776204728 /nfs/dbraw/zinc/20/47/28/776204728.db2.gz NBWRBIOEMZNJBK-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001036298341 776209532 /nfs/dbraw/zinc/20/95/32/776209532.db2.gz NBWRBIOEMZNJBK-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001008533132 776249432 /nfs/dbraw/zinc/24/94/32/776249432.db2.gz QYYDYOFJGONRDA-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP COCCNC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000161542621 776278521 /nfs/dbraw/zinc/27/85/21/776278521.db2.gz IHVCWYLMLWTDML-GFCCVEGCSA-N 2 0 270.421 1.048 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC000986564831 776388050 /nfs/dbraw/zinc/38/80/50/776388050.db2.gz FSINUXFZVIGBRN-SWLSCSKDSA-N 2 0 284.363 1.713 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOCC(C)C ZINC000303770003 776398567 /nfs/dbraw/zinc/39/85/67/776398567.db2.gz BJVTUBRHOMBJSV-CQSZACIVSA-N 2 0 284.448 1.438 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049896657 776424802 /nfs/dbraw/zinc/42/48/02/776424802.db2.gz NTXVKCGISVNAFR-JKSUJKDBSA-N 2 0 291.439 1.724 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001054862884 776832650 /nfs/dbraw/zinc/83/26/50/776832650.db2.gz MKKXQJOVGVKNBA-WFASDCNBSA-N 2 0 284.363 1.570 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033835328 776890426 /nfs/dbraw/zinc/89/04/26/776890426.db2.gz YECGRKTZQHOJJO-BZUAXINKSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032602808 777134833 /nfs/dbraw/zinc/13/48/33/777134833.db2.gz CJJSVAMAVIWOFD-HOTGVXAUSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001033689705 777144363 /nfs/dbraw/zinc/14/43/63/777144363.db2.gz GQTFZHQJVJXVKX-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CCOCC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000880517145 777183670 /nfs/dbraw/zinc/18/36/70/777183670.db2.gz JHXBETGROXEPHQ-UHFFFAOYSA-N 2 0 252.402 1.834 20 30 CDEDRP C=C(C)CC[NH+]1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001031258333 777242321 /nfs/dbraw/zinc/24/23/21/777242321.db2.gz HUVDUNBYSOHYQE-CYBMUJFWSA-N 2 0 265.401 1.095 20 30 CDEDRP COCCNC(=[NH2+])NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303258351 777251128 /nfs/dbraw/zinc/25/11/28/777251128.db2.gz KUMOYXGVVLCNJI-OKILXGFUSA-N 2 0 284.448 1.295 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050753299 777349287 /nfs/dbraw/zinc/34/92/87/777349287.db2.gz HONNKVZGQDUGEM-HNNXBMFYSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001054853660 777413607 /nfs/dbraw/zinc/41/36/07/777413607.db2.gz IUJQQOGXMYZJQZ-KBPBESRZSA-N 2 0 277.412 1.237 20 30 CDEDRP C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000878824599 777646348 /nfs/dbraw/zinc/64/63/48/777646348.db2.gz YOBYUARALDFZOJ-AWEZNQCLSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001003628418 777752324 /nfs/dbraw/zinc/75/23/24/777752324.db2.gz PDMLVZKLUKVPFN-AWEZNQCLSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H](C)C1 ZINC001044629616 777776628 /nfs/dbraw/zinc/77/66/28/777776628.db2.gz NTZSFGOQFMIUII-KBPBESRZSA-N 2 0 277.412 1.073 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001019518415 777818799 /nfs/dbraw/zinc/81/87/99/777818799.db2.gz NILVQUYPBUMEAH-INIZCTEOSA-N 2 0 285.391 1.186 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001075106213 777819286 /nfs/dbraw/zinc/81/92/86/777819286.db2.gz ZZVKRMHMBLMLLI-AVGNSLFASA-N 2 0 285.819 1.270 20 30 CDEDRP CCCCCCC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000385410434 777845887 /nfs/dbraw/zinc/84/58/87/777845887.db2.gz RMRIFJVHDXDTOG-HNNXBMFYSA-N 2 0 253.434 1.936 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)CC2 ZINC001035794558 777994340 /nfs/dbraw/zinc/99/43/40/777994340.db2.gz FWVONVQDOVVNKP-HNNXBMFYSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000923400649 778072034 /nfs/dbraw/zinc/07/20/34/778072034.db2.gz CWINIVSDRCNCOY-WOPDTQHZSA-N 2 0 280.334 1.773 20 30 CDEDRP C#CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034308440 778235432 /nfs/dbraw/zinc/23/54/32/778235432.db2.gz BNZUIBNUQGUOHD-OAHLLOKOSA-N 2 0 296.374 1.552 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001054742258 778400424 /nfs/dbraw/zinc/40/04/24/778400424.db2.gz YUCMIDXDXOCGJO-KGLIPLIRSA-N 2 0 279.428 1.483 20 30 CDEDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000924669601 778512855 /nfs/dbraw/zinc/51/28/55/778512855.db2.gz UPWUPUXDDXJOOL-GJZGRUSLSA-N 2 0 280.460 1.930 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001050663402 778515532 /nfs/dbraw/zinc/51/55/32/778515532.db2.gz TWLPJZWMGMPNNM-HNNXBMFYSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001042354719 778753926 /nfs/dbraw/zinc/75/39/26/778753926.db2.gz CNMRMTLNVRKXDE-HZPDHXFCSA-N 2 0 291.439 1.581 20 30 CDEDRP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001035166560 778832989 /nfs/dbraw/zinc/83/29/89/778832989.db2.gz QDYCHRDSHSKEPZ-HNNXBMFYSA-N 2 0 289.423 1.028 20 30 CDEDRP CCCCCCNC(=[NH2+])NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000303909312 778897165 /nfs/dbraw/zinc/89/71/65/778897165.db2.gz YCCUTLUSEUKYAN-HNNXBMFYSA-N 2 0 297.491 1.497 20 30 CDEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992506717 778978480 /nfs/dbraw/zinc/97/84/80/778978480.db2.gz UHGTXEMAYOZPRP-HLLBOEOZSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049480856 778988255 /nfs/dbraw/zinc/98/82/55/778988255.db2.gz GTLXNGCQCUJXOU-KLHDSHLOSA-N 2 0 291.439 1.578 20 30 CDEDRP C#CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014726287 778989407 /nfs/dbraw/zinc/98/94/07/778989407.db2.gz FIYFQSRDHWAFLH-HUUCEWRRSA-N 2 0 277.412 1.073 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000836346928 779014968 /nfs/dbraw/zinc/01/49/68/779014968.db2.gz ZUQPGHLTLIGSNP-HNNXBMFYSA-N 2 0 294.443 1.115 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073426218 779047353 /nfs/dbraw/zinc/04/73/53/779047353.db2.gz VAMKJINHDRMZBC-CQSZACIVSA-N 2 0 277.412 1.049 20 30 CDEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997423597 779244712 /nfs/dbraw/zinc/24/47/12/779244712.db2.gz GCSBOVYQKHPPBG-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000997950099 779337968 /nfs/dbraw/zinc/33/79/68/779337968.db2.gz QBNWALMVJODIRQ-HZPDHXFCSA-N 2 0 291.439 1.417 20 30 CDEDRP CC(=NNC1=[NH+]C[C@@H](C)N1)c1ccc(C[NH+](C)C)cc1 ZINC000814898459 779339081 /nfs/dbraw/zinc/33/90/81/779339081.db2.gz SWRUFAXIIGFLBU-LLVKDONJSA-N 2 0 273.384 1.410 20 30 CDEDRP C=CC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001042215683 779341264 /nfs/dbraw/zinc/34/12/64/779341264.db2.gz FUPFZWQBWIYXNU-HOCLYGCPSA-N 2 0 291.439 1.437 20 30 CDEDRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000923420286 779346726 /nfs/dbraw/zinc/34/67/26/779346726.db2.gz HKKWGJAGPZBAKL-YUELXQCFSA-N 2 0 289.379 1.013 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001022975148 779396981 /nfs/dbraw/zinc/39/69/81/779396981.db2.gz GLWJKHRQBRRVIV-APIJFGDWSA-N 2 0 279.428 1.530 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034130148 779618232 /nfs/dbraw/zinc/61/82/32/779618232.db2.gz GHEVLRYYNWXUPV-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000998902835 779706127 /nfs/dbraw/zinc/70/61/27/779706127.db2.gz YULAZPQNPHWYBM-PCKAHOCUSA-N 2 0 291.439 1.462 20 30 CDEDRP CC(C)[N@H+](C)CC1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801917776 779940773 /nfs/dbraw/zinc/94/07/73/779940773.db2.gz PARARKDCNFRQJB-AWEZNQCLSA-N 2 0 267.417 1.967 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001006300708 779976560 /nfs/dbraw/zinc/97/65/60/779976560.db2.gz YDXQABWURXIZOC-UHFFFAOYSA-N 2 0 277.412 1.191 20 30 CDEDRP C#CC[N@H+]1CC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001041353648 780003869 /nfs/dbraw/zinc/00/38/69/780003869.db2.gz IOUPKOUDIVPLBE-INIZCTEOSA-N 2 0 289.423 1.028 20 30 CDEDRP CC1CC[NH+](CCC[NH+]=C(N(C)C)N(C)C)CC1 ZINC000303771917 780043850 /nfs/dbraw/zinc/04/38/50/780043850.db2.gz CZRUATVJAZQWGS-UHFFFAOYSA-N 2 0 254.422 1.588 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001000020882 780063084 /nfs/dbraw/zinc/06/30/84/780063084.db2.gz RGOYFYMMGRSGJB-KKUMJFAQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001022310835 780094009 /nfs/dbraw/zinc/09/40/09/780094009.db2.gz KBSWDFKUZXDXKE-MCIONIFRSA-N 2 0 288.395 1.258 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001014988917 780116610 /nfs/dbraw/zinc/11/66/10/780116610.db2.gz DFMIALSVVNJQNX-KGLIPLIRSA-N 2 0 288.395 1.212 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015597568 780167839 /nfs/dbraw/zinc/16/78/39/780167839.db2.gz UTPDHPUSUAUYNB-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C[N@H+](CCNC(=[NH2+])NCC1CCC1)C1CCCC1 ZINC000304756803 780175179 /nfs/dbraw/zinc/17/51/79/780175179.db2.gz OAEZGGQUJHFVQV-UHFFFAOYSA-N 2 0 252.406 1.565 20 30 CDEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174950637 913414355 /nfs/dbraw/zinc/41/43/55/913414355.db2.gz XWDVAMHSDUNTMN-AWEZNQCLSA-N 2 0 281.444 1.779 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249222 913712769 /nfs/dbraw/zinc/71/27/69/913712769.db2.gz CTISVYTVVTVCML-FVQBIDKESA-N 2 0 293.455 1.587 20 30 CDEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)C[NH+](CC)CC ZINC001175769651 913781389 /nfs/dbraw/zinc/78/13/89/913781389.db2.gz TZQQTPRVPIKSPO-AWEZNQCLSA-N 2 0 269.433 1.779 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176024265 913902574 /nfs/dbraw/zinc/90/25/74/913902574.db2.gz NWBKJRITLJFNJY-AWEZNQCLSA-N 2 0 267.417 1.226 20 30 CDEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001176164937 913987385 /nfs/dbraw/zinc/98/73/85/913987385.db2.gz FWVZVYROMIYIJS-OAHLLOKOSA-N 2 0 299.459 1.405 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106664957 914114027 /nfs/dbraw/zinc/11/40/27/914114027.db2.gz DCGNUTKVMTYERN-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001167608509 897009605 /nfs/dbraw/zinc/00/96/05/897009605.db2.gz FILUWFKOGFGWFF-CQSZACIVSA-N 2 0 267.417 1.533 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176889866 914340243 /nfs/dbraw/zinc/34/02/43/914340243.db2.gz GUIXZBKNHQPKKA-UHFFFAOYSA-N 2 0 287.407 1.481 20 30 CDEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001104937815 899688382 /nfs/dbraw/zinc/68/83/82/899688382.db2.gz IEGHVAXWRBZXBM-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001105014708 899789654 /nfs/dbraw/zinc/78/96/54/899789654.db2.gz YDEYYBQTDZOGBR-HZPDHXFCSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CCN(C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C1CCCCC1 ZINC001161248161 902091983 /nfs/dbraw/zinc/09/19/83/902091983.db2.gz RNUVLXZBFFDRPC-RHSMWYFYSA-N 2 0 291.439 1.533 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001270187684 904428389 /nfs/dbraw/zinc/42/83/89/904428389.db2.gz JZHNLIUUJBJJDM-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090546 906296125 /nfs/dbraw/zinc/29/61/25/906296125.db2.gz UQOZGWSDQRSUHD-CVEARBPZSA-N 2 0 291.439 1.295 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001088327277 906902816 /nfs/dbraw/zinc/90/28/16/906902816.db2.gz JKITWJSGAMTTRO-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001272158693 908649784 /nfs/dbraw/zinc/64/97/84/908649784.db2.gz SAQBIMRKPMBVGM-HNNXBMFYSA-N 2 0 283.460 1.929 20 30 CDEDRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCC[NH3+])C[C@H]1C#N ZINC001172969571 912108244 /nfs/dbraw/zinc/10/82/44/912108244.db2.gz XRAMEAJYJVZETL-STQMWFEESA-N 2 0 296.415 1.607 20 30 CDEDRP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001089732165 915572025 /nfs/dbraw/zinc/57/20/25/915572025.db2.gz NUELWUOMNWCXKD-CABCVRRESA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001179337541 915821138 /nfs/dbraw/zinc/82/11/38/915821138.db2.gz RCBGZTGKGYEKOA-KKUMJFAQSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001097639541 936319000 /nfs/dbraw/zinc/31/90/00/936319000.db2.gz YJQCXECCWZVFSX-KFWWJZLASA-N 2 0 289.423 1.216 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCC1 ZINC001484638742 915994040 /nfs/dbraw/zinc/99/40/40/915994040.db2.gz HQHNKTPWYUBDKR-ZDUSSCGKSA-N 2 0 299.846 1.852 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001179979392 916100380 /nfs/dbraw/zinc/10/03/80/916100380.db2.gz VRPYRLNFHRPJKK-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001179967905 916119335 /nfs/dbraw/zinc/11/93/35/916119335.db2.gz KVKCWHLMMGDORG-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124877718 936341822 /nfs/dbraw/zinc/34/18/22/936341822.db2.gz IHLDVWUVYBUUOQ-CHWSQXEVSA-N 2 0 253.390 1.141 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)NCC[NH+](CC)CC ZINC001183027935 918264816 /nfs/dbraw/zinc/26/48/16/918264816.db2.gz XHFPPNIEDZPXQS-UHFFFAOYSA-N 2 0 253.390 1.096 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)NCC12CC[NH+](CC1)CC2 ZINC001183086217 918282724 /nfs/dbraw/zinc/28/27/24/918282724.db2.gz SFJLKLIVEJFLEF-UHFFFAOYSA-N 2 0 277.412 1.241 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185084586 919416839 /nfs/dbraw/zinc/41/68/39/919416839.db2.gz KOAIUQPJIYHEIE-GJZGRUSLSA-N 2 0 279.428 1.036 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001185548274 919650180 /nfs/dbraw/zinc/65/01/80/919650180.db2.gz KZTXWHHZEGDOCZ-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CC[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033154304 921936687 /nfs/dbraw/zinc/93/66/87/921936687.db2.gz ZPMJQEFMSBZGDH-HZPDHXFCSA-N 2 0 291.439 1.415 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC)C1 ZINC001190725753 922154856 /nfs/dbraw/zinc/15/48/56/922154856.db2.gz REVSUDZMYXMWIM-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190949073 922298089 /nfs/dbraw/zinc/29/80/89/922298089.db2.gz XFTNNSLSWPAQTB-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169603 922930942 /nfs/dbraw/zinc/93/09/42/922930942.db2.gz BDLCWVPBXVHFQX-ZDUSSCGKSA-N 2 0 253.390 1.047 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192387764 923051619 /nfs/dbraw/zinc/05/16/19/923051619.db2.gz ZAYMMKZKFSVBSV-CQSZACIVSA-N 2 0 279.428 1.130 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CCN(Cc2cn[nH]c2)CC1 ZINC001203102054 936829415 /nfs/dbraw/zinc/82/94/15/936829415.db2.gz XEDMYFZSIBLFEZ-UHFFFAOYSA-N 2 0 289.427 1.201 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193558612 923798019 /nfs/dbraw/zinc/79/80/19/923798019.db2.gz CTBWWUPWRXBYLA-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001080659416 924613177 /nfs/dbraw/zinc/61/31/77/924613177.db2.gz JJDJVGSDPVUUNF-HUUCEWRRSA-N 2 0 279.428 1.341 20 30 CDEDRP C#CCN1CC2(CCC1=O)CC[NH+](CCC[NH+](C)C)CC2 ZINC001273712175 924810947 /nfs/dbraw/zinc/81/09/47/924810947.db2.gz QJSKNHGDBFGGSA-UHFFFAOYSA-N 2 0 291.439 1.276 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001101036569 936953472 /nfs/dbraw/zinc/95/34/72/936953472.db2.gz TZLBKEPIQYOGFR-UYSNPLJNSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCCC[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001197150604 925072481 /nfs/dbraw/zinc/07/24/81/925072481.db2.gz UWCMJADTRCHJLU-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154579760 925798543 /nfs/dbraw/zinc/79/85/43/925798543.db2.gz CMOBRNRDDYUGIY-OAHLLOKOSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001085353094 925903145 /nfs/dbraw/zinc/90/31/45/925903145.db2.gz MUGNFUUJRGELRI-HZPDHXFCSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001085393734 925931912 /nfs/dbraw/zinc/93/19/12/925931912.db2.gz JGLNASATBNYSQQ-RBSFLKMASA-N 2 0 279.428 1.531 20 30 CDEDRP C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001085673069 926269680 /nfs/dbraw/zinc/26/96/80/926269680.db2.gz PEFDFJLEJBQSGH-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600988 937067852 /nfs/dbraw/zinc/06/78/52/937067852.db2.gz GCFDLPMKTSNAQG-HUUCEWRRSA-N 2 0 279.428 1.034 20 30 CDEDRP Cn1cnc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c1C#N ZINC001201656873 926377282 /nfs/dbraw/zinc/37/72/82/926377282.db2.gz BURUFTQACHHKAL-UHFFFAOYSA-N 2 0 297.366 1.182 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086254103 926893761 /nfs/dbraw/zinc/89/37/61/926893761.db2.gz JKCRKUYRKBKAJX-OKILXGFUSA-N 2 0 277.412 1.143 20 30 CDEDRP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001108325178 927392260 /nfs/dbraw/zinc/39/22/60/927392260.db2.gz MNYTZHVMDDQTFR-INIZCTEOSA-N 2 0 297.443 1.111 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153368388 928975136 /nfs/dbraw/zinc/97/51/36/928975136.db2.gz MAJTVWOLDNRCTM-OAHLLOKOSA-N 2 0 293.455 1.711 20 30 CDEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672404 929006000 /nfs/dbraw/zinc/00/60/00/929006000.db2.gz DKKBFORPANVSSS-RDBSUJKOSA-N 2 0 265.401 1.236 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134891906 929949319 /nfs/dbraw/zinc/94/93/19/929949319.db2.gz IFQCLGJQDOUISA-UONOGXRCSA-N 2 0 298.390 1.844 20 30 CDEDRP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001135511641 930243253 /nfs/dbraw/zinc/24/32/53/930243253.db2.gz WTJPUEHWPZOMSK-UHFFFAOYSA-N 2 0 294.424 1.167 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001170818844 930244003 /nfs/dbraw/zinc/24/40/03/930244003.db2.gz HNTDRTALGQVZFC-KRWDZBQOSA-N 2 0 289.423 1.745 20 30 CDEDRP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135937948 930548985 /nfs/dbraw/zinc/54/89/85/930548985.db2.gz CBAWQYIIXYZGEA-HUUCEWRRSA-N 2 0 293.455 1.921 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153492337 937448112 /nfs/dbraw/zinc/44/81/12/937448112.db2.gz YDQMMEDHJPIQLE-RBSFLKMASA-N 2 0 279.428 1.177 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001153678086 937460431 /nfs/dbraw/zinc/46/04/31/937460431.db2.gz WOEBOFRQRCXZCT-HUUCEWRRSA-N 2 0 299.434 1.516 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153910440 937482358 /nfs/dbraw/zinc/48/23/58/937482358.db2.gz PRZTVMHUYKNWMQ-CABCVRRESA-N 2 0 283.460 1.975 20 30 CDEDRP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001274964647 931618038 /nfs/dbraw/zinc/61/80/38/931618038.db2.gz SGRSGVYIFAFCQA-GASCZTMLSA-N 2 0 251.418 1.663 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001091283738 932073027 /nfs/dbraw/zinc/07/30/27/932073027.db2.gz RHKATZLNJTUTTO-UHFFFAOYSA-N 2 0 299.418 1.479 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001091326360 932093965 /nfs/dbraw/zinc/09/39/65/932093965.db2.gz JKCRKUYRKBKAJX-UHFFFAOYSA-N 2 0 277.412 1.143 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC)CC1 ZINC001146609689 932271681 /nfs/dbraw/zinc/27/16/81/932271681.db2.gz GAYSRCIDXLBCFM-LSDHHAIUSA-N 2 0 293.455 1.615 20 30 CDEDRP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001146718702 932288985 /nfs/dbraw/zinc/28/89/85/932288985.db2.gz FUSIVUZYKRZMKP-UHFFFAOYSA-N 2 0 288.395 1.106 20 30 CDEDRP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001147657796 932569654 /nfs/dbraw/zinc/56/96/54/932569654.db2.gz CENBZQITSZEAAP-AWEZNQCLSA-N 2 0 297.418 1.387 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001155180905 937645456 /nfs/dbraw/zinc/64/54/56/937645456.db2.gz WAGNMCWZZQLLGK-HZPDHXFCSA-N 2 0 295.471 1.957 20 30 CDEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111169324 934209856 /nfs/dbraw/zinc/20/98/56/934209856.db2.gz NXNZNWNVUZGBEH-KFWWJZLASA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750987 934952504 /nfs/dbraw/zinc/95/25/04/934952504.db2.gz RPXPWBGOXKIDBE-FOLVSLTJSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001097444462 936303145 /nfs/dbraw/zinc/30/31/45/936303145.db2.gz ZXAZZYNIHRVFEC-BMFZPTHFSA-N 2 0 296.374 1.855 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC001122004973 937898478 /nfs/dbraw/zinc/89/84/78/937898478.db2.gz UDGINLZQJXGYFX-KGLIPLIRSA-N 2 0 267.417 1.661 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001122020217 937899810 /nfs/dbraw/zinc/89/98/10/937899810.db2.gz FFZLTSOQQCFISN-GJZGRUSLSA-N 2 0 279.428 1.518 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001122136443 937907882 /nfs/dbraw/zinc/90/78/82/937907882.db2.gz JVARKKDNWLPUDF-KGLIPLIRSA-N 2 0 281.444 1.907 20 30 CDEDRP C[N@@H+]1CC[C@H](Nc2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001156575802 938387937 /nfs/dbraw/zinc/38/79/37/938387937.db2.gz MDZOWCRIIVQADO-LBPRGKRZSA-N 2 0 271.368 1.105 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156961572 938438775 /nfs/dbraw/zinc/43/87/75/938438775.db2.gz XEGZWXZGLZPFDG-MRXNPFEDSA-N 2 0 293.455 1.712 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CC=C)CC1 ZINC001157091832 938452997 /nfs/dbraw/zinc/45/29/97/938452997.db2.gz DMQMNZCYMFJFOP-OAHLLOKOSA-N 2 0 291.439 1.344 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158202459 938594921 /nfs/dbraw/zinc/59/49/21/938594921.db2.gz WLBNUOQMRPFJJU-AWEZNQCLSA-N 2 0 265.401 1.000 20 30 CDEDRP N#Cc1c2c(sc1N=C1CC[NH2+]CC1)C[NH2+]CC2 ZINC001159159922 938706912 /nfs/dbraw/zinc/70/69/12/938706912.db2.gz UQVVZUUYMPMVGF-UHFFFAOYSA-N 2 0 260.366 1.555 20 30 CDEDRP N#Cc1cnc2cnc(Cl)cc2c1N[C@H]([NH3+])CCC[NH3+] ZINC001159780293 938752165 /nfs/dbraw/zinc/75/21/65/938752165.db2.gz WXRQBEDWSQZVGO-LBPRGKRZSA-N 2 0 290.758 1.012 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160267063 938778131 /nfs/dbraw/zinc/77/81/31/938778131.db2.gz JUZGRXOEGHCFCB-ZDUSSCGKSA-N 2 0 287.835 1.709 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161053154 938865295 /nfs/dbraw/zinc/86/52/95/938865295.db2.gz QGSKEDFTCKDSEE-ZDUSSCGKSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CC[N@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161101619 938871236 /nfs/dbraw/zinc/87/12/36/938871236.db2.gz HJSCINJFVOBBNP-UHFFFAOYSA-N 2 0 291.439 1.653 20 30 CDEDRP C=CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C1CCCCC1 ZINC001161248291 938882604 /nfs/dbraw/zinc/88/26/04/938882604.db2.gz XFBJQAWHYWEXSJ-ZDUSSCGKSA-N 2 0 253.390 1.400 20 30 CDEDRP C=CCOc1cc(C)nc(NCCC[NH2+]CCCC[NH3+])n1 ZINC001162293239 938972373 /nfs/dbraw/zinc/97/23/73/938972373.db2.gz VBRFQUKCHCVHMU-UHFFFAOYSA-N 2 0 293.415 1.480 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001165314677 939544587 /nfs/dbraw/zinc/54/45/87/939544587.db2.gz JXJPLOZDAKQONC-CQSZACIVSA-N 2 0 299.434 1.728 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166971348 939663851 /nfs/dbraw/zinc/66/38/51/939663851.db2.gz LCKWDCZIZBKVDW-UHFFFAOYSA-N 2 0 267.417 1.390 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203325228 939683148 /nfs/dbraw/zinc/68/31/48/939683148.db2.gz KQDYQNYXPYSWQF-CABCVRRESA-N 2 0 293.455 1.921 20 30 CDEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203327434 939683242 /nfs/dbraw/zinc/68/32/42/939683242.db2.gz YCAGTEODGZJNMZ-LSDHHAIUSA-N 2 0 291.439 1.369 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203521335 939690804 /nfs/dbraw/zinc/69/08/04/939690804.db2.gz ITYBPIVLHIFUML-CABCVRRESA-N 2 0 293.455 1.921 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001205854075 939945772 /nfs/dbraw/zinc/94/57/72/939945772.db2.gz SCHZKFRTHUMCMG-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP N#Cc1ccc2c(c1)CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207436986 940195855 /nfs/dbraw/zinc/19/58/55/940195855.db2.gz YWPGWMJBPOEWEM-UHFFFAOYSA-N 2 0 255.365 1.916 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207601260 940220442 /nfs/dbraw/zinc/22/04/42/940220442.db2.gz FHKQXGOODCPIRR-OWCLPIDISA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001208261178 940312981 /nfs/dbraw/zinc/31/29/81/940312981.db2.gz KDKNIAYJKWKQLG-HUUCEWRRSA-N 2 0 297.418 1.270 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001208362508 940324323 /nfs/dbraw/zinc/32/43/23/940324323.db2.gz OZYOLVPCCMEISM-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214855603 940841361 /nfs/dbraw/zinc/84/13/61/940841361.db2.gz HWWSVBPEEGAQJA-FVQBIDKESA-N 2 0 293.455 1.729 20 30 CDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217927805 941030344 /nfs/dbraw/zinc/03/03/44/941030344.db2.gz XPRHRHRALPUBBL-JKJDWNRSSA-N 2 0 280.412 1.467 20 30 CDEDRP Cc1cc(C#N)c(F)cc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001219112632 941309842 /nfs/dbraw/zinc/30/98/42/941309842.db2.gz OQDJVLMUFDWIPL-CQSZACIVSA-N 2 0 290.342 1.271 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221408626 941532632 /nfs/dbraw/zinc/53/26/32/941532632.db2.gz JTHGPZZSUACHJG-JKSUJKDBSA-N 2 0 293.455 1.955 20 30 CDEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001221444829 941536858 /nfs/dbraw/zinc/53/68/58/941536858.db2.gz PDGMNYYOINVIKK-BZUAXINKSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791527 941551707 /nfs/dbraw/zinc/55/17/07/941551707.db2.gz QFXVBAZRSULUHE-ARFHVFGLSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001221921708 941554748 /nfs/dbraw/zinc/55/47/48/941554748.db2.gz GDAXVLJKGONUAZ-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001224592449 941773131 /nfs/dbraw/zinc/77/31/31/941773131.db2.gz KXZDHYFNHDTTJM-HNNXBMFYSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)C[NH+](CC)CC)CC1 ZINC001229685693 942512760 /nfs/dbraw/zinc/51/27/60/942512760.db2.gz IHBHAWJIYUPUFI-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001265193679 944266856 /nfs/dbraw/zinc/26/68/56/944266856.db2.gz QIUOBBXMQYYGCQ-OAHLLOKOSA-N 2 0 279.428 1.273 20 30 CDEDRP C=CC[NH2+]CCN1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236004080 944371132 /nfs/dbraw/zinc/37/11/32/944371132.db2.gz BRWZSXODGKNNRX-SJORKVTESA-N 2 0 271.408 1.235 20 30 CDEDRP C=CC[NH2+]CCN(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001236478439 944500972 /nfs/dbraw/zinc/50/09/72/944500972.db2.gz JLFGBQLUKPJILK-INIZCTEOSA-N 2 0 274.412 1.411 20 30 CDEDRP N#Cc1cc(-c2ncnc3c2C[NH2+]CC3)cc(C2C[NH2+]C2)c1 ZINC001240337428 945792751 /nfs/dbraw/zinc/79/27/51/945792751.db2.gz IGQYISJRHAKBGN-UHFFFAOYSA-N 2 0 291.358 1.348 20 30 CDEDRP C[N@@H+]1CCC=C(c2ccc(N3CC[NH2+]CC3)c(C#N)c2)C1 ZINC001241569473 946354179 /nfs/dbraw/zinc/35/41/79/946354179.db2.gz AWQBQFTURUKGMC-UHFFFAOYSA-N 2 0 282.391 1.687 20 30 CDEDRP N#Cc1cc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)ccc1O ZINC001242564942 946794155 /nfs/dbraw/zinc/79/41/55/946794155.db2.gz BYVZKPABBICSLB-UHFFFAOYSA-N 2 0 280.331 1.735 20 30 CDEDRP CC[NH+](CC)CCN(CC[NH3+])[C@H]1CC[C@@H](C#N)C1 ZINC001254644535 947567402 /nfs/dbraw/zinc/56/74/02/947567402.db2.gz YWORUGBOXBBLIR-KGLIPLIRSA-N 2 0 252.406 1.281 20 30 CDEDRP C=CCOC[C@H](O)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246022835 947903910 /nfs/dbraw/zinc/90/39/10/947903910.db2.gz PGJASVGAXVQJFV-KGLIPLIRSA-N 2 0 256.390 1.001 20 30 CDEDRP C=CCCCCCC[C@@H](O)C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246047174 947915366 /nfs/dbraw/zinc/91/53/66/947915366.db2.gz PXMNMLPXJUOEKY-LVYZTWJOSA-N 2 0 296.455 1.779 20 30 CDEDRP CC[C@H](CC#N)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246145357 947987283 /nfs/dbraw/zinc/98/72/83/947987283.db2.gz MONBARIKEXOUBB-CHWSQXEVSA-N 2 0 250.390 1.142 20 30 CDEDRP Cc1ccc(C(=[NH2+])N[C@@H]2CCNC3(C[NH2+]C3)C2)cc1C ZINC001246481735 948200128 /nfs/dbraw/zinc/20/01/28/948200128.db2.gz CIFOKHRTXVDCEV-CQSZACIVSA-N 2 0 272.396 1.103 20 30 CDEDRP C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246763600 948428988 /nfs/dbraw/zinc/42/89/88/948428988.db2.gz BWWKOWFOYPMMDA-CVEARBPZSA-N 2 0 280.412 1.565 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@H](O)CC)CC1 ZINC001251782506 950819343 /nfs/dbraw/zinc/81/93/43/950819343.db2.gz FWSHTCXOISMQKI-MRXNPFEDSA-N 2 0 281.444 1.049 20 30 CDEDRP C#CCOC[C@H](O)C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001251848246 950865179 /nfs/dbraw/zinc/86/51/79/950865179.db2.gz XBBPBUWLQPRJBN-DLBZAZTESA-N 2 0 294.439 1.338 20 30 CDEDRP C=C[C@@](C)(O)C[NH2+]Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001252571818 951464911 /nfs/dbraw/zinc/46/49/11/951464911.db2.gz KGXXBDVMMDHSBJ-QGZVFWFLSA-N 2 0 289.423 1.465 20 30 CDEDRP C=C[C@](C)(O)C[NH2+]C1CC[NH+](CC2CCC2)CC1 ZINC001252578621 951471431 /nfs/dbraw/zinc/47/14/31/951471431.db2.gz FINUSOOKRDHMOD-HNNXBMFYSA-N 2 0 252.402 1.778 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC001328077442 955186373 /nfs/dbraw/zinc/18/63/73/955186373.db2.gz IOCLPKAOORQAFE-HNNXBMFYSA-N 2 0 281.444 1.731 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001421912279 955648294 /nfs/dbraw/zinc/64/82/94/955648294.db2.gz YIJQWRGKQDIJEN-OLZOCXBDSA-N 2 0 289.851 1.762 20 30 CDEDRP CN(CCC#N)C[C@@H](O)C[NH2+]CCC[NH+]1CCCCCC1 ZINC001335315504 959704398 /nfs/dbraw/zinc/70/43/98/959704398.db2.gz XIRCWSWZZQFPEV-INIZCTEOSA-N 2 0 296.459 1.048 20 30 CDEDRP C#CCNC(=O)CC[NH2+][C@@H](Cn1ccnc1)C(C)(C)C ZINC001336732131 960516577 /nfs/dbraw/zinc/51/65/77/960516577.db2.gz AOFAHBQYSJBKHQ-ZDUSSCGKSA-N 2 0 276.384 1.027 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC001340146204 962773564 /nfs/dbraw/zinc/77/35/64/962773564.db2.gz DGIFOEUJXVZCSK-OAHLLOKOSA-N 2 0 273.380 1.590 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC001340185662 962799882 /nfs/dbraw/zinc/79/98/82/962799882.db2.gz VYHKHWHJYAWGJV-OLZOCXBDSA-N 2 0 253.390 1.126 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001100426461 968310411 /nfs/dbraw/zinc/31/04/11/968310411.db2.gz JJSSJAJUNHAFRH-NRXISQOPSA-N 2 0 281.444 1.633 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@@H+](C)CCC)CC1 ZINC001375530512 974414063 /nfs/dbraw/zinc/41/40/63/974414063.db2.gz OWNGBTWJAOTGDN-UHFFFAOYSA-N 2 0 273.808 1.319 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001376748277 974753485 /nfs/dbraw/zinc/75/34/85/974753485.db2.gz CLHRHYHJQUKMTF-LBPRGKRZSA-N 2 0 285.819 1.462 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283900 1163222556 /nfs/dbraw/zinc/22/25/56/1163222556.db2.gz NTXVZIVVCQSDEA-AWEZNQCLSA-N 2 0 281.444 1.921 20 30 CDEDRP C#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001132435455 1163290879 /nfs/dbraw/zinc/29/08/79/1163290879.db2.gz DSLQQVDCBCCRAR-GJZGRUSLSA-N 2 0 279.428 1.321 20 30 CDEDRP C#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001132435454 1163291307 /nfs/dbraw/zinc/29/13/07/1163291307.db2.gz DSLQQVDCBCCRAR-CABCVRRESA-N 2 0 279.428 1.321 20 30 CDEDRP C=CC[C@H](C(=O)OC)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC001574887814 1171038190 /nfs/dbraw/zinc/03/81/90/1171038190.db2.gz CMYQKLKPMLXMJL-HUUCEWRRSA-N 2 0 280.412 1.816 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC001574902537 1171042735 /nfs/dbraw/zinc/04/27/35/1171042735.db2.gz CBQJKROCPMIZAT-DZGCQCFKSA-N 2 0 265.401 1.271 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635530642 361768432 /nfs/dbraw/zinc/76/84/32/361768432.db2.gz GIVWBIBYHOOEBA-ZDUSSCGKSA-N 2 0 265.401 1.095 20 30 CDEDRP Cc1cnc2cc(C(=O)NC3(C#N)CCN(C)CC3)ccn12 ZINC000594282005 342884478 /nfs/dbraw/zinc/88/44/78/342884478.db2.gz MEPGRNUBZMWPRG-UHFFFAOYSA-N 2 0 297.362 1.361 20 30 CDEDRP CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000598592945 343838801 /nfs/dbraw/zinc/83/88/01/343838801.db2.gz OKNNBYGVOFWJOU-CABCVRRESA-N 2 0 279.428 1.705 20 30 CDEDRP CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000598592946 343838827 /nfs/dbraw/zinc/83/88/27/343838827.db2.gz OKNNBYGVOFWJOU-GJZGRUSLSA-N 2 0 279.428 1.705 20 30 CDEDRP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598612051 343842209 /nfs/dbraw/zinc/84/22/09/343842209.db2.gz YJWUWMYNGDXLPV-UONOGXRCSA-N 2 0 267.417 1.703 20 30 CDEDRP COCC1(C[NH2+]Cc2ccc(C#N)o2)CC[NH2+]CC1 ZINC000600770404 349880238 /nfs/dbraw/zinc/88/02/38/349880238.db2.gz YNTJDPSLSHWZCX-UHFFFAOYSA-N 2 0 263.341 1.257 20 30 CDEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000598723041 343884661 /nfs/dbraw/zinc/88/46/61/343884661.db2.gz CWYJVGHPGRANEO-OAHLLOKOSA-N 2 0 279.428 1.751 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC(C)(C)C ZINC000263245979 362382693 /nfs/dbraw/zinc/38/26/93/362382693.db2.gz MWXFMLFLJLDZMA-LBPRGKRZSA-N 2 0 266.433 1.824 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)OCCC[NH+](CC)CC)CC1 ZINC000491192187 347579303 /nfs/dbraw/zinc/57/93/03/347579303.db2.gz MAPHXKORLRQWPO-UHFFFAOYSA-N 2 0 280.412 1.607 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CCC)CC2)CC1 ZINC000074254491 349208533 /nfs/dbraw/zinc/20/85/33/349208533.db2.gz BGVXXOVYKSGCHH-UHFFFAOYSA-N 2 0 291.439 1.276 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(O)cc1 ZINC000264058023 362954161 /nfs/dbraw/zinc/95/41/61/362954161.db2.gz BSVCKLZNUQHRQA-AWEZNQCLSA-N 2 0 290.411 1.323 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000264091742 362963748 /nfs/dbraw/zinc/96/37/48/362963748.db2.gz LFWDMLOMPYKOHL-ZDUSSCGKSA-N 2 0 276.384 1.906 20 30 CDEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(C#N)c1 ZINC000185879617 357588471 /nfs/dbraw/zinc/58/84/71/357588471.db2.gz KQWUUHGWJWXCTR-HNNXBMFYSA-N 2 0 286.423 1.674 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000449348287 358386872 /nfs/dbraw/zinc/38/68/72/358386872.db2.gz SPVYDIHGFYCOOP-UKRRQHHQSA-N 2 0 279.428 1.661 20 30 CDEDRP C#CCC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000270669451 359407368 /nfs/dbraw/zinc/40/73/68/359407368.db2.gz WXRCLVVWTGXWLS-UHFFFAOYSA-N 2 0 285.435 1.759 20 30 CDEDRP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001660823193 1172283799 /nfs/dbraw/zinc/28/37/99/1172283799.db2.gz ZESDMKIKDGIFEC-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP CN(C)C(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1 ZINC000170911394 365161039 /nfs/dbraw/zinc/16/10/39/365161039.db2.gz GUGZEXFBZZPFPY-UHFFFAOYSA-N 2 0 264.373 1.003 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000368811826 369599646 /nfs/dbraw/zinc/59/96/46/369599646.db2.gz ACXYOQZJWVBFKB-INIZCTEOSA-N 2 0 289.423 1.028 20 30 CDEDRP COc1cc(CN2CC[C@H](C[NH+](C)C)C2)ccc1C#N ZINC000282229409 375073678 /nfs/dbraw/zinc/07/36/78/375073678.db2.gz IKLWLDMGIOQHAN-CQSZACIVSA-N 2 0 273.380 1.950 20 30 CDEDRP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524047 375804605 /nfs/dbraw/zinc/80/46/05/375804605.db2.gz HGZHOSATSWDEAQ-CQSZACIVSA-N 2 0 294.443 1.411 20 30 CDEDRP C=CCN1CC[C@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)C1=O ZINC000420331216 376329223 /nfs/dbraw/zinc/32/92/23/376329223.db2.gz DJYDCTOQWBMQIM-CABCVRRESA-N 2 0 277.412 1.237 20 30 CDEDRP C[N@@H+]1CCCN(CCC[NH2+]CC(C)(C)CCC#N)CC1 ZINC000174354841 379461490 /nfs/dbraw/zinc/46/14/90/379461490.db2.gz ZZAKCBLKJZVIMZ-UHFFFAOYSA-N 2 0 280.460 1.934 20 30 CDEDRP C=CCN(CC=C)C(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158942326 390937564 /nfs/dbraw/zinc/93/75/64/390937564.db2.gz IPZIODZQTKBYQB-CVEARBPZSA-N 2 0 291.439 1.603 20 30 CDEDRP COCCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442778544 391029279 /nfs/dbraw/zinc/02/92/79/391029279.db2.gz HDQXSFHXLZZWIA-HIFRSBDPSA-N 2 0 265.401 1.769 20 30 CDEDRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCC[C@H](C#N)C3)C2)CC1 ZINC000373171770 391108504 /nfs/dbraw/zinc/10/85/04/391108504.db2.gz BVQPVNJLQKFMSK-XHSDSOJGSA-N 2 0 290.455 1.827 20 30 CDEDRP C=CC[N@@H+](C)CCN(CC)CC[NH+]1CCCOCC1 ZINC000411640982 391489411 /nfs/dbraw/zinc/48/94/11/391489411.db2.gz FZFMEYRMKUPYPJ-UHFFFAOYSA-N 2 0 269.433 1.148 20 30 CDEDRP COCCC[N@H+](C)CCNc1cc(C)ncc1C#N ZINC000425240222 393002245 /nfs/dbraw/zinc/00/22/45/393002245.db2.gz YJGAAKPAVDALIG-UHFFFAOYSA-N 2 0 262.357 1.064 20 30 CDEDRP C[C@H]([NH3+])CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423228160 397602863 /nfs/dbraw/zinc/60/28/63/397602863.db2.gz YJWWQPCUIOWMET-ZDUSSCGKSA-N 2 0 272.396 1.854 20 30 CDEDRP Cn1cc(C[NH+]2CCC(c3c[nH]cn3)CC2)cc1C#N ZINC000335831386 151057562 /nfs/dbraw/zinc/05/75/62/151057562.db2.gz PNADCMNLHLPLOV-UHFFFAOYSA-N 2 0 269.352 1.999 20 30 CDEDRP C[NH+]=C(NCc1nccs1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261945717 328143218 /nfs/dbraw/zinc/14/32/18/328143218.db2.gz FTKZJTXVYMCDIU-ZYHUDNBSSA-N 2 0 293.440 1.291 20 30 CDEDRP CCNC(NCCc1cn2ccccc2n1)=[NH+]CC ZINC000264149405 328157918 /nfs/dbraw/zinc/15/79/18/328157918.db2.gz YSKYIBKRQBGMGS-UHFFFAOYSA-N 2 0 259.357 1.452 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)C(C)C ZINC000188725595 329370596 /nfs/dbraw/zinc/37/05/96/329370596.db2.gz BNLOYXRSZCTBJX-RRFJBIMHSA-N 2 0 297.418 1.501 20 30 CDEDRP CN(C)C(=[NH+]CC(C)(C)C[NH+]1CCCC1)N(C)C ZINC000262405920 330008272 /nfs/dbraw/zinc/00/82/72/330008272.db2.gz RSMXORDCZVZCHF-UHFFFAOYSA-N 2 0 254.422 1.588 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263290162 330051790 /nfs/dbraw/zinc/05/17/90/330051790.db2.gz VOPSKJYHESLRAZ-GDBMZVCRSA-N 2 0 279.428 1.661 20 30 CDEDRP C=CCC[C@H](CO)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423149065 330172951 /nfs/dbraw/zinc/17/29/51/330172951.db2.gz AGTDLDWSOQXFGY-GXTWGEPZSA-N 2 0 263.385 1.826 20 30 CDEDRP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]1CCC(C)CC1 ZINC000424140620 330281197 /nfs/dbraw/zinc/28/11/97/330281197.db2.gz BMBVJKKFNWAXDN-KBPBESRZSA-N 2 0 280.416 1.244 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000120657238 330389840 /nfs/dbraw/zinc/38/98/40/330389840.db2.gz DHKXCOZLBYPCMV-HOCLYGCPSA-N 2 0 291.439 1.130 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC(C)(C)CCC[NH+](C)C)CC1 ZINC000491339619 332193185 /nfs/dbraw/zinc/19/31/85/332193185.db2.gz REXVCMUYQIZDTB-UHFFFAOYSA-N 2 0 293.455 1.568 20 30 CDEDRP C#CC[NH2+]CC(C)(C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001755286205 1159820930 /nfs/dbraw/zinc/82/09/30/1159820930.db2.gz RXSFSSCLROFMNW-UHFFFAOYSA-N 2 0 279.428 1.036 20 30 CDEDRP Cc1ncc(C=NN2CCN(C)CC2)n1-c1ccccc1 ZINC000755465663 576946040 /nfs/dbraw/zinc/94/60/40/576946040.db2.gz NGBDTYHBKXNVMJ-UHFFFAOYSA-N 2 0 283.379 1.762 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000948244246 613008200 /nfs/dbraw/zinc/00/82/00/613008200.db2.gz GFQZDPXRDGIWNH-JKSUJKDBSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CCC[NH+]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977451995 613037312 /nfs/dbraw/zinc/03/73/12/613037312.db2.gz KBAQOQOAFDVLPG-CABCVRRESA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC000947502403 613272317 /nfs/dbraw/zinc/27/23/17/613272317.db2.gz NZZDNXDGBOYCKE-HIFRSBDPSA-N 2 0 296.374 1.550 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972733307 613283174 /nfs/dbraw/zinc/28/31/74/613283174.db2.gz BUTNDGYZVOURQL-CQSZACIVSA-N 2 0 277.412 1.191 20 30 CDEDRP C=C(C)C[N@H+]1CCCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000981973171 613310595 /nfs/dbraw/zinc/31/05/95/613310595.db2.gz FOKRLHPXOWOQMZ-AWEZNQCLSA-N 2 0 267.417 1.437 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000947685246 613327252 /nfs/dbraw/zinc/32/72/52/613327252.db2.gz LZOXVKGIDFWEMJ-GOEBONIOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000949862764 613508388 /nfs/dbraw/zinc/50/83/88/613508388.db2.gz NZUHQQWUZPOUQE-GJZGRUSLSA-N 2 0 279.428 1.437 20 30 CDEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000970163129 613538600 /nfs/dbraw/zinc/53/86/00/613538600.db2.gz LRQBLOOBEWTVNA-ZDUSSCGKSA-N 2 0 296.374 1.408 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000971674518 613610451 /nfs/dbraw/zinc/61/04/51/613610451.db2.gz UPVOAVGXYQVRLZ-CYBMUJFWSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000972649858 613626977 /nfs/dbraw/zinc/62/69/77/613626977.db2.gz GBGDHMJIHLOZKX-INIZCTEOSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000970667066 613668084 /nfs/dbraw/zinc/66/80/84/613668084.db2.gz CZHHXRQPIGJBJB-AWEZNQCLSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CC[NH+]1CCCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC000982013590 613678216 /nfs/dbraw/zinc/67/82/16/613678216.db2.gz WRLGPSYJHDFWRH-HNNXBMFYSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CC[NH+]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981332389 613689335 /nfs/dbraw/zinc/68/93/35/613689335.db2.gz WJTSTYMPDZVSLS-INIZCTEOSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944944978 613742755 /nfs/dbraw/zinc/74/27/55/613742755.db2.gz PNSDXTDMVRGNOI-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942556368 613778993 /nfs/dbraw/zinc/77/89/93/613778993.db2.gz ZWOQBOKVSYTZJX-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC000946784878 613832752 /nfs/dbraw/zinc/83/27/52/613832752.db2.gz YWGFIICGLCHPKT-XHSDSOJGSA-N 2 0 293.455 1.683 20 30 CDEDRP CC[C@H](CNC(=[NH2+])N1CCSCC1)[NH+]1CCCC1 ZINC000104166896 617978994 /nfs/dbraw/zinc/97/89/94/617978994.db2.gz DXJWLURDBZMJCX-GFCCVEGCSA-N 2 0 270.446 1.224 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000911699288 629423548 /nfs/dbraw/zinc/42/35/48/629423548.db2.gz PEXULNRLVRNVTI-CHWSQXEVSA-N 2 0 255.406 1.542 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911787783 629511858 /nfs/dbraw/zinc/51/18/58/629511858.db2.gz MEJUGTANAUDBRT-ZIAGYGMSSA-N 2 0 269.433 1.885 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000911883804 629611433 /nfs/dbraw/zinc/61/14/33/629611433.db2.gz ZYYPPLCXDXCODK-SOUVJXGZSA-N 2 0 299.459 1.639 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130709057 1162697198 /nfs/dbraw/zinc/69/71/98/1162697198.db2.gz RRHGRSOEXXXYID-CQSZACIVSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001158329577 1162870926 /nfs/dbraw/zinc/87/09/26/1162870926.db2.gz RGWKGCJDEHNDHQ-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001131799809 1163056903 /nfs/dbraw/zinc/05/69/03/1163056903.db2.gz WVASJRNVSYVTRC-UHFFFAOYSA-N 2 0 281.444 1.780 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001113301792 1162149292 /nfs/dbraw/zinc/14/92/92/1162149292.db2.gz WLSFHOMGQWUWDB-UHFFFAOYSA-N 2 0 253.390 1.049 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001113543858 1162211996 /nfs/dbraw/zinc/21/19/96/1162211996.db2.gz JCQVFSFXHDEJGL-UHFFFAOYSA-N 2 0 277.412 1.193 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001133183372 1163598870 /nfs/dbraw/zinc/59/88/70/1163598870.db2.gz ZMACWHLFPOZVKW-HOTGVXAUSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001133253463 1163618418 /nfs/dbraw/zinc/61/84/18/1163618418.db2.gz IAECZVJAZITQBK-CVEARBPZSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134020694 1164006887 /nfs/dbraw/zinc/00/68/87/1164006887.db2.gz FWSLUNMZZOAABS-HNNXBMFYSA-N 2 0 297.443 1.159 20 30 CDEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114407396 1164887374 /nfs/dbraw/zinc/88/73/74/1164887374.db2.gz XUHVVQLYAQAULI-WDNDVIMCSA-N 2 0 277.412 1.093 20 30 CDEDRP C[C@H](CC[NH+](C)C)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001647232036 1168473577 /nfs/dbraw/zinc/47/35/77/1168473577.db2.gz NKBBPCZVRCPVNV-CYBMUJFWSA-N 2 0 288.395 1.817 20 30 CDEDRP C#CC[C@]1(C(=O)N(CC)CCC[NH+](CC)CC)CCC[NH2+]1 ZINC001574504361 1170988482 /nfs/dbraw/zinc/98/84/82/1170988482.db2.gz HLUXYRIWVMKKJE-QGZVFWFLSA-N 2 0 293.455 1.712 20 30 CDEDRP C#CCN(C(=O)[C@H]1CCC[N@@H+](C(C)C)C1)C1CC[NH2+]CC1 ZINC001574583651 1170994895 /nfs/dbraw/zinc/99/48/95/1170994895.db2.gz KLULJHDJTRWLDG-HNNXBMFYSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)CC[N@@H+](C)CC)CC1 ZINC000073436828 1171972844 /nfs/dbraw/zinc/97/28/44/1171972844.db2.gz CVNRIENDHYLXDF-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)CCC[NH+](C)C ZINC001690616758 1175523583 /nfs/dbraw/zinc/52/35/83/1175523583.db2.gz OTOOTWXFWKITEF-LLVKDONJSA-N 2 0 261.797 1.175 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001713508724 1178617010 /nfs/dbraw/zinc/61/70/10/1178617010.db2.gz PJOIIDLZDRWJTF-CABCVRRESA-N 2 0 281.444 1.729 20 30 CDEDRP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001731543326 1182443100 /nfs/dbraw/zinc/44/31/00/1182443100.db2.gz RALBKFHHCUYXPA-UONOGXRCSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001752484724 1184870422 /nfs/dbraw/zinc/87/04/22/1184870422.db2.gz REBZLPPGMZQPKS-DZGCQCFKSA-N 2 0 279.428 1.389 20 30 CDEDRP C#CC[NH+]1CCCC[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001752824889 1184925841 /nfs/dbraw/zinc/92/58/41/1184925841.db2.gz GOSFBKNYQRMCCO-HNNXBMFYSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CCCC[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001753133974 1185079078 /nfs/dbraw/zinc/07/90/78/1185079078.db2.gz SCLVCRGDNWGLBV-AWEZNQCLSA-N 2 0 267.417 1.342 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001753140262 1185081143 /nfs/dbraw/zinc/08/11/43/1185081143.db2.gz MJMBELVESFGZKN-HNNXBMFYSA-N 2 0 279.428 1.487 20 30 CDEDRP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001753354945 1185166855 /nfs/dbraw/zinc/16/68/55/1185166855.db2.gz MBHCOVQKTOGRIR-XHSDSOJGSA-N 2 0 293.455 1.683 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001754291577 1185555505 /nfs/dbraw/zinc/55/55/05/1185555505.db2.gz QISXGYJMASCTBJ-NSHDSACASA-N 2 0 261.797 1.175 20 30 CDEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001754955985 1185769556 /nfs/dbraw/zinc/76/95/56/1185769556.db2.gz YBIUMKCTJRHDOM-SHTZXODSSA-N 2 0 279.428 1.226 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001755123574 1185823502 /nfs/dbraw/zinc/82/35/02/1185823502.db2.gz RAQIXSRTQKWVIC-KGLIPLIRSA-N 2 0 267.417 1.341 20 30 CDEDRP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001755143883 1185830724 /nfs/dbraw/zinc/83/07/24/1185830724.db2.gz RGHKZBBGRNTRIN-CQSZACIVSA-N 2 0 279.428 1.177 20 30 CDEDRP C=CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001755213411 1185858148 /nfs/dbraw/zinc/85/81/48/1185858148.db2.gz FXTZUPSBBLCQOK-GPANFISMSA-N 2 0 293.455 1.777 20 30 CDEDRP C#CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CCC)CC1(C)C ZINC001755765695 1186060608 /nfs/dbraw/zinc/06/06/08/1186060608.db2.gz VQOLQNRAVZKSFA-AWEZNQCLSA-N 2 0 279.428 1.178 20 30 CDEDRP N#Cc1cccc([C@H](O)C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000402137934 1186437576 /nfs/dbraw/zinc/43/75/76/1186437576.db2.gz JMKKJAYFFUEKDM-UKRRQHHQSA-N 2 0 259.353 1.262 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133690054 1163852067 /nfs/dbraw/zinc/85/20/67/1163852067.db2.gz HFXDAZXBGQKDKW-CQSZACIVSA-N 2 0 269.433 1.779 20 30 CDEDRP C#CCSCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000775411396 782365357 /nfs/dbraw/zinc/36/53/57/782365357.db2.gz PAIKTXJDMBDECC-UHFFFAOYSA-N 2 0 252.427 1.817 20 30 CDEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000985468900 782565443 /nfs/dbraw/zinc/56/54/43/782565443.db2.gz CFNDAAMMODCUFZ-INIZCTEOSA-N 2 0 293.455 1.826 20 30 CDEDRP C#CC[N@H+]1CC[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001028764209 782820398 /nfs/dbraw/zinc/82/03/98/782820398.db2.gz AWGYJCPVZDTYCQ-CYBMUJFWSA-N 2 0 289.379 1.026 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001050566055 782855835 /nfs/dbraw/zinc/85/58/35/782855835.db2.gz MOGUNXHTBBXWCF-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001036302964 782869423 /nfs/dbraw/zinc/86/94/23/782869423.db2.gz KSUIREVXXNDMLM-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001018180364 782874533 /nfs/dbraw/zinc/87/45/33/782874533.db2.gz UKKSTSWKJYRJDX-OAGGEKHMSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC000995996727 782910353 /nfs/dbraw/zinc/91/03/53/782910353.db2.gz MJCMDJOFMYOIEB-CQSZACIVSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001049889092 783053809 /nfs/dbraw/zinc/05/38/09/783053809.db2.gz BNPQGZRXNQFTEL-ARFHVFGLSA-N 2 0 291.439 1.580 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC=C)C1 ZINC001028603880 783061912 /nfs/dbraw/zinc/06/19/12/783061912.db2.gz KPFGSJWUUOEFIG-CVEARBPZSA-N 2 0 289.423 1.098 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001009634970 783063979 /nfs/dbraw/zinc/06/39/79/783063979.db2.gz KHMHGGFWHIWPSW-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000999833573 783073438 /nfs/dbraw/zinc/07/34/38/783073438.db2.gz ZKZRVKHCNWOCTA-PNESKVBLSA-N 2 0 285.819 1.270 20 30 CDEDRP C=C(Cl)CN1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001005178218 780252638 /nfs/dbraw/zinc/25/26/38/780252638.db2.gz HACZYCSWCJUJHL-AWEZNQCLSA-N 2 0 299.846 1.756 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001015705452 780731923 /nfs/dbraw/zinc/73/19/23/780731923.db2.gz LKAMKTONXHEPOP-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052393352 781012636 /nfs/dbraw/zinc/01/26/36/781012636.db2.gz HJJIDXFUMDSTJN-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP C[NH+]=C(NC[C@H](C1CC1)[NH+](C)C)NC1CCCC1 ZINC000103906010 781110244 /nfs/dbraw/zinc/11/02/44/781110244.db2.gz ALDKHGBILGJMOE-CYBMUJFWSA-N 2 0 252.406 1.434 20 30 CDEDRP C[C@H]1CCCN(C(=[NH2+])NCCc2cn3c(n2)CCCC3)C1 ZINC000261983805 781171632 /nfs/dbraw/zinc/17/16/32/781171632.db2.gz JGEPWOQQWREWKP-ZDUSSCGKSA-N 2 0 289.427 1.809 20 30 CDEDRP C=CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001000756205 781192324 /nfs/dbraw/zinc/19/23/24/781192324.db2.gz DFLPQQMPSIUCID-MRXNPFEDSA-N 2 0 291.439 1.795 20 30 CDEDRP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049552379 781338702 /nfs/dbraw/zinc/33/87/02/781338702.db2.gz URKYDJGFTGGNTK-OAGGEKHMSA-N 2 0 291.439 1.415 20 30 CDEDRP C=CCC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000883192193 781376587 /nfs/dbraw/zinc/37/65/87/781376587.db2.gz SORBKOLPLQJSAL-CABCVRRESA-N 2 0 282.428 1.547 20 30 CDEDRP C=CC[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033152676 781391159 /nfs/dbraw/zinc/39/11/59/781391159.db2.gz QUMRGZNMMCNSQY-JKSUJKDBSA-N 2 0 293.455 1.968 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CC ZINC001037917856 781454931 /nfs/dbraw/zinc/45/49/31/781454931.db2.gz DGIXVJRBSZHQFZ-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC)C1 ZINC001033161605 781711599 /nfs/dbraw/zinc/71/15/99/781711599.db2.gz NUPULRHWPAJEPY-GJZGRUSLSA-N 2 0 277.412 1.027 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000303871218 781723715 /nfs/dbraw/zinc/72/37/15/781723715.db2.gz BOOTWYPITIFQGX-KBPBESRZSA-N 2 0 284.448 1.580 20 30 CDEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001016544213 783255330 /nfs/dbraw/zinc/25/53/30/783255330.db2.gz UUJQFLRFNWLGEB-GJZGRUSLSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001033127562 783259249 /nfs/dbraw/zinc/25/92/49/783259249.db2.gz VUYBHTHSCCJJNT-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001049996035 783283565 /nfs/dbraw/zinc/28/35/65/783283565.db2.gz TVHCOCQMHOSWLI-ARFHVFGLSA-N 2 0 291.439 1.580 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001039050359 783371987 /nfs/dbraw/zinc/37/19/87/783371987.db2.gz OKZDMEQFWCMAJG-MRXNPFEDSA-N 2 0 299.418 1.576 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001008527997 783397175 /nfs/dbraw/zinc/39/71/75/783397175.db2.gz AKGKIYRFBLCGHI-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCOCCC#N ZINC000887134197 783458093 /nfs/dbraw/zinc/45/80/93/783458093.db2.gz FBLXVHHVJPKZPM-AWEZNQCLSA-N 2 0 274.368 1.522 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC000928657634 783547798 /nfs/dbraw/zinc/54/77/98/783547798.db2.gz QPPAKAJGKBMXOF-UHFFFAOYSA-N 2 0 291.439 1.466 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001100831112 1166999845 /nfs/dbraw/zinc/99/98/45/1166999845.db2.gz GTMQXCVGINOZNV-UHFFFAOYSA-N 2 0 267.417 1.389 20 30 CDEDRP CC[N@@H+]1CC[C@H]([NH+]=C(C)NCc2cccc(C[NH3+])c2)C1 ZINC001173357766 912476617 /nfs/dbraw/zinc/47/66/17/912476617.db2.gz RRVDIZPHVIONKQ-INIZCTEOSA-N 3 0 274.412 1.748 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001106198820 913586509 /nfs/dbraw/zinc/58/65/09/913586509.db2.gz PCKSCSISSBSFKL-KFWWJZLASA-N 2 0 299.434 1.536 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001175785884 913785385 /nfs/dbraw/zinc/78/53/85/913785385.db2.gz GEQLWMYACIJBEO-OAHLLOKOSA-N 2 0 281.444 1.616 20 30 CDEDRP C#CCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001209266951 894576981 /nfs/dbraw/zinc/57/69/81/894576981.db2.gz GWDLWGXQSNDWNI-PMPSAXMXSA-N 2 0 287.411 1.086 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023489969 897594196 /nfs/dbraw/zinc/59/41/96/897594196.db2.gz PKJVWCPVIUVDHJ-CQSZACIVSA-N 2 0 298.390 1.962 20 30 CDEDRP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024762036 898240069 /nfs/dbraw/zinc/24/00/69/898240069.db2.gz MCDVSSXZXMYLGW-HNNXBMFYSA-N 2 0 291.439 1.629 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267576604 898489566 /nfs/dbraw/zinc/48/95/66/898489566.db2.gz UGDJJUNCQYMWIE-CABCVRRESA-N 2 0 279.428 1.178 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267686631 899276402 /nfs/dbraw/zinc/27/64/02/899276402.db2.gz SQMFHZDYQJFMPH-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001167733288 899533164 /nfs/dbraw/zinc/53/31/64/899533164.db2.gz YFPQEDJCRGIPSQ-OAHLLOKOSA-N 2 0 293.455 1.780 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993760936 914399619 /nfs/dbraw/zinc/39/96/19/914399619.db2.gz OIYSXSQCRQPIQZ-GDBMZVCRSA-N 2 0 291.439 1.321 20 30 CDEDRP CC[NH+]=C(NC[C@H](C)C[NH+]1CCN(C)CC1)NC(C)(C)C ZINC000103895904 900037111 /nfs/dbraw/zinc/03/71/11/900037111.db2.gz ICCKAGYCBGUJHT-AWEZNQCLSA-N 2 0 297.491 1.224 20 30 CDEDRP C#CC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000993928245 914411713 /nfs/dbraw/zinc/41/17/13/914411713.db2.gz MKTULLXVTDKTJF-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP N#CCOc1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)cc1 ZINC001222532517 900216476 /nfs/dbraw/zinc/21/64/76/900216476.db2.gz MPCZOMUSJDADON-UHFFFAOYSA-N 2 0 277.343 1.852 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001027463972 900516502 /nfs/dbraw/zinc/51/65/02/900516502.db2.gz BAEMNZPXYLNQLI-GJZGRUSLSA-N 2 0 277.412 1.027 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694053 900745396 /nfs/dbraw/zinc/74/53/96/900745396.db2.gz QDNSYLMAJXPVOS-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027891697 900949286 /nfs/dbraw/zinc/94/92/86/900949286.db2.gz FXQXCRMDEDNSNK-HZSPNIEDSA-N 2 0 265.401 1.093 20 30 CDEDRP CC(C)(C)c1ccc(C#N)c(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001167880640 901633707 /nfs/dbraw/zinc/63/37/07/901633707.db2.gz SUEVAAIHPYMDSC-UHFFFAOYSA-N 2 0 288.399 1.926 20 30 CDEDRP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028647288 903182258 /nfs/dbraw/zinc/18/22/58/903182258.db2.gz HABJCAOQNORUJY-CVEARBPZSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001028985885 904544915 /nfs/dbraw/zinc/54/49/15/904544915.db2.gz NTWRWIKRPJPCJO-GJZGRUSLSA-N 2 0 279.428 1.342 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CC[C@]2(CCOC2)C1 ZINC000262021770 904823836 /nfs/dbraw/zinc/82/38/36/904823836.db2.gz YZJIZMYFOIDHQS-HOCLYGCPSA-N 2 0 294.443 1.016 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088199805 906439057 /nfs/dbraw/zinc/43/90/57/906439057.db2.gz CXTFXXCCMIHXIW-OAGGEKHMSA-N 2 0 291.439 1.295 20 30 CDEDRP C#CC[N@@H+](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000985802291 907137574 /nfs/dbraw/zinc/13/75/74/907137574.db2.gz OZSGUAXFOPKICA-UHFFFAOYSA-N 2 0 291.439 1.418 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001003515133 921336543 /nfs/dbraw/zinc/33/65/43/921336543.db2.gz ZGNDIGAGXXVBQR-UHFFFAOYSA-N 2 0 289.379 1.169 20 30 CDEDRP C#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001092604398 909467568 /nfs/dbraw/zinc/46/75/68/909467568.db2.gz JWAQMKXMUUQVDA-OAGGEKHMSA-N 2 0 291.439 1.177 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)C[N@@H+](C)CCC ZINC001171769935 910939635 /nfs/dbraw/zinc/93/96/35/910939635.db2.gz IEEQQPXWPQQDSR-UHFFFAOYSA-N 2 0 255.406 1.390 20 30 CDEDRP C[C@@H](Cc1ccc(C#N)cc1)NC(=[NH2+])NCCCC[NH3+] ZINC001172295158 911594400 /nfs/dbraw/zinc/59/44/00/911594400.db2.gz PROLSPZSMTWEDJ-LBPRGKRZSA-N 2 0 273.384 1.342 20 30 CDEDRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@@H](C)CCCC#N)O1 ZINC001172485129 911688286 /nfs/dbraw/zinc/68/82/86/911688286.db2.gz MEOLVJXLRUVAKR-REWJHTLYSA-N 2 0 269.389 1.383 20 30 CDEDRP C[C@H](CCCC#N)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001172493869 911730230 /nfs/dbraw/zinc/73/02/30/911730230.db2.gz WFYNNPBUUMTKGK-CYBMUJFWSA-N 2 0 265.401 1.769 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001031765747 915750628 /nfs/dbraw/zinc/75/06/28/915750628.db2.gz NVYIVBCONUGLGS-HOTGVXAUSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001179430949 915832983 /nfs/dbraw/zinc/83/29/83/915832983.db2.gz JQPQBYOJWAERJC-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001179580261 915908485 /nfs/dbraw/zinc/90/84/85/915908485.db2.gz BFSMCGURUPKOKC-INIZCTEOSA-N 2 0 293.455 1.760 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCCC[N@H+](C)C1CCCCC1 ZINC000303891252 935047357 /nfs/dbraw/zinc/04/73/57/935047357.db2.gz MXTZVVZVRIFYIH-ZDUSSCGKSA-N 2 0 284.448 1.580 20 30 CDEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001054240208 936432293 /nfs/dbraw/zinc/43/22/93/936432293.db2.gz PIAZVBYQGCSFAP-QGZVFWFLSA-N 2 0 289.423 1.030 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N[C@]1(C)CCC[N@@H+](C)C1 ZINC001183091959 918286786 /nfs/dbraw/zinc/28/67/86/918286786.db2.gz RJASBGDLCBKSAM-OAHLLOKOSA-N 2 0 265.401 1.239 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000996664373 918357836 /nfs/dbraw/zinc/35/78/36/918357836.db2.gz VLKAYDUKDDLZAR-HNNXBMFYSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001050565143 936561201 /nfs/dbraw/zinc/56/12/01/936561201.db2.gz WTNXTVIRORBZFD-OAHLLOKOSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001185361331 919546021 /nfs/dbraw/zinc/54/60/21/919546021.db2.gz YHKKQOGKWHYLTB-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185401195 919573156 /nfs/dbraw/zinc/57/31/56/919573156.db2.gz MLCOVOWOTQKJOC-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001185763267 919744428 /nfs/dbraw/zinc/74/44/28/919744428.db2.gz RQDWHWFEGRQQNI-CVEARBPZSA-N 2 0 293.455 1.424 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000999512833 919761802 /nfs/dbraw/zinc/76/18/02/919761802.db2.gz RHNXMJCOEZJYHY-KGLIPLIRSA-N 2 0 299.846 1.804 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115774 920348825 /nfs/dbraw/zinc/34/88/25/920348825.db2.gz SHKKVALOJBYNJD-HUUCEWRRSA-N 2 0 297.443 1.110 20 30 CDEDRP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099215482 936783521 /nfs/dbraw/zinc/78/35/21/936783521.db2.gz VGJNAAXJLCQYID-OAHLLOKOSA-N 2 0 293.455 1.568 20 30 CDEDRP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099334200 936785515 /nfs/dbraw/zinc/78/55/15/936785515.db2.gz FUAFPNQVIDWHNM-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001036059202 923093984 /nfs/dbraw/zinc/09/39/84/923093984.db2.gz CXKBYAIDKVZJTR-GOEBONIOSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194419114 924213646 /nfs/dbraw/zinc/21/36/46/924213646.db2.gz FLZNSCJXLYONTI-INIZCTEOSA-N 2 0 291.439 1.418 20 30 CDEDRP C=CCN1CCC2(CC[NH+](CCC[NH+](C)C)CC2)C1=O ZINC001273711852 924807848 /nfs/dbraw/zinc/80/78/48/924807848.db2.gz KZVZPAFJJWTLDB-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001082782517 924998799 /nfs/dbraw/zinc/99/87/99/924998799.db2.gz CLIMKWSDQDFBDX-OAGGEKHMSA-N 2 0 291.439 1.319 20 30 CDEDRP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001197158348 925078391 /nfs/dbraw/zinc/07/83/91/925078391.db2.gz MVXWMXNOVAOGTQ-JKSUJKDBSA-N 2 0 293.455 1.685 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101477529 936973946 /nfs/dbraw/zinc/97/39/46/936973946.db2.gz YPQRPNDFOULIPH-ZBFHGGJFSA-N 2 0 279.428 1.293 20 30 CDEDRP C=CCCC[N@H+]1CCCN(C(=O)C[NH+](CC)CC)CC1 ZINC001197510543 925156326 /nfs/dbraw/zinc/15/63/26/925156326.db2.gz DHUVWXIGVGCJJW-UHFFFAOYSA-N 2 0 281.444 1.829 20 30 CDEDRP CC#CCN1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001084661326 925335514 /nfs/dbraw/zinc/33/55/14/925335514.db2.gz POAGPWIYGWRXDX-ARFHVFGLSA-N 2 0 289.423 1.027 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001084831208 925448180 /nfs/dbraw/zinc/44/81/80/925448180.db2.gz CNNPBSOVWCATOS-HUUCEWRRSA-N 2 0 277.412 1.191 20 30 CDEDRP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085593225 926192523 /nfs/dbraw/zinc/19/25/23/926192523.db2.gz FJFGEFXMTWMCRI-HOTGVXAUSA-N 2 0 291.439 1.415 20 30 CDEDRP C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085589355 926196799 /nfs/dbraw/zinc/19/67/99/926196799.db2.gz JXYJNDHKOMIBPC-JKSUJKDBSA-N 2 0 293.455 1.968 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001085606533 926205165 /nfs/dbraw/zinc/20/51/65/926205165.db2.gz PYQCLYZQGFSVFC-OWCLPIDISA-N 2 0 293.455 1.826 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085606255 926205526 /nfs/dbraw/zinc/20/55/26/926205526.db2.gz IAVYPIDNTBZXFN-RBSFLKMASA-N 2 0 279.428 1.435 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514327 937061877 /nfs/dbraw/zinc/06/18/77/937061877.db2.gz UCFHCFOHWQXHMI-OWCLPIDISA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001085629602 926228329 /nfs/dbraw/zinc/22/83/29/926228329.db2.gz YBSHYPLWUNJAPI-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCCO1 ZINC001202164425 926484625 /nfs/dbraw/zinc/48/46/25/926484625.db2.gz MOBAVPFFSCDWPM-OAHLLOKOSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202239280 926511805 /nfs/dbraw/zinc/51/18/05/926511805.db2.gz VGONTYCAEMEDNS-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001086278258 926931225 /nfs/dbraw/zinc/93/12/25/926931225.db2.gz OFPODQRZWHWXTI-WOVMCDHWSA-N 2 0 299.418 1.479 20 30 CDEDRP C#CC(C)(C)[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256678711 937178043 /nfs/dbraw/zinc/17/80/43/937178043.db2.gz ZEPPUEIZMCEURL-UHFFFAOYSA-N 2 0 250.386 1.631 20 30 CDEDRP C#CCC[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000776593450 927786185 /nfs/dbraw/zinc/78/61/85/927786185.db2.gz JSWVIPSAFWAWDR-INIZCTEOSA-N 2 0 263.429 1.502 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001086533234 929096631 /nfs/dbraw/zinc/09/66/31/929096631.db2.gz BZRCPSVQBZETGY-KLHDSHLOSA-N 2 0 291.439 1.224 20 30 CDEDRP C#CC[C@@H](CCOC)[NH2+]C1CC[NH+](CCC)CC1 ZINC000862547403 929423959 /nfs/dbraw/zinc/42/39/59/929423959.db2.gz DZCIXIZKVQSVFT-AWEZNQCLSA-N 2 0 252.402 1.879 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CCC ZINC001115152171 937330040 /nfs/dbraw/zinc/33/00/40/937330040.db2.gz RQEKAKBDCNJIBE-FOLVSLTJSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CCC ZINC001115156192 937330643 /nfs/dbraw/zinc/33/06/43/937330643.db2.gz KEOKKSRGQTVQQU-QLPKVWCKSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCCC=C)CC1 ZINC001152329962 937354288 /nfs/dbraw/zinc/35/42/88/937354288.db2.gz FVENBOYCWCCNNG-UHFFFAOYSA-N 2 0 277.412 1.004 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001170757737 929793704 /nfs/dbraw/zinc/79/37/04/929793704.db2.gz ZTDKFGBGFFFESR-UHFFFAOYSA-N 2 0 291.439 1.228 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152426933 937361217 /nfs/dbraw/zinc/36/12/17/937361217.db2.gz QQJSSUIUPZOVAK-UHFFFAOYSA-N 2 0 269.433 1.779 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135375835 930176639 /nfs/dbraw/zinc/17/66/39/930176639.db2.gz OKIRUFIMZUBYAU-ZIAGYGMSSA-N 2 0 279.428 1.224 20 30 CDEDRP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135924665 930543410 /nfs/dbraw/zinc/54/34/10/930543410.db2.gz VACQXSWTBZLJOU-CABCVRRESA-N 2 0 299.459 1.404 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001153266348 937435722 /nfs/dbraw/zinc/43/57/22/937435722.db2.gz DQQNOPIMIODLRV-UHFFFAOYSA-N 2 0 291.395 1.464 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+]1C1CCCC1 ZINC000823187860 931266462 /nfs/dbraw/zinc/26/64/62/931266462.db2.gz KUBFHYIYZXDSHB-HNNXBMFYSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(CC[NH+](C)C)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000889220350 931308531 /nfs/dbraw/zinc/30/85/31/931308531.db2.gz VCKLHXXPFUZAIZ-UHFFFAOYSA-N 2 0 265.401 1.191 20 30 CDEDRP C[C@H]1CCCC[N@@H+]1CCCNC(=[NH2+])N1CCSCC1 ZINC000104156687 931320819 /nfs/dbraw/zinc/32/08/19/931320819.db2.gz GQVUEMHLEDHLKF-ZDUSSCGKSA-N 2 0 284.473 1.614 20 30 CDEDRP CCCCCCNC(=[NH2+])NCCC[NH+]1CCC(O)CC1 ZINC000104168437 931322521 /nfs/dbraw/zinc/32/25/21/931322521.db2.gz FRKYELPWYIPAOC-UHFFFAOYSA-N 2 0 284.448 1.318 20 30 CDEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=[NH2+])N2CCOCC2)C1 ZINC000104170053 931322711 /nfs/dbraw/zinc/32/27/11/931322711.db2.gz NPEAJTOOYAZJSB-GASCZTMLSA-N 2 0 296.459 1.391 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@H](C)C[NH+]1CCCCC1 ZINC000104176374 931323244 /nfs/dbraw/zinc/32/32/44/931323244.db2.gz COOJJNVRYDAJKA-AWEZNQCLSA-N 2 0 284.448 1.439 20 30 CDEDRP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H](CC)[NH+](C)C ZINC001274511156 931505319 /nfs/dbraw/zinc/50/53/19/931505319.db2.gz OFYFLRRDLWMGRJ-GWJCSSMESA-N 2 0 253.390 1.165 20 30 CDEDRP C=CCCCC[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001274975116 931621579 /nfs/dbraw/zinc/62/15/79/931621579.db2.gz WUMOLKMOWSSRHK-IYBDPMFKSA-N 2 0 281.444 1.289 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001091198868 932000716 /nfs/dbraw/zinc/00/07/16/932000716.db2.gz YLTWELISOZPCCN-HWOWSKLDSA-N 2 0 293.455 1.779 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001091377448 932121394 /nfs/dbraw/zinc/12/13/94/932121394.db2.gz KPRDLLRFQNXZMN-UHFFFAOYSA-N 2 0 299.418 1.479 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844749 937595165 /nfs/dbraw/zinc/59/51/65/937595165.db2.gz YBJXPZDCSGZDDH-XHSDSOJGSA-N 2 0 293.455 1.567 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001147358683 932482287 /nfs/dbraw/zinc/48/22/87/932482287.db2.gz ILHUCEDQFQPJMA-HNNXBMFYSA-N 2 0 279.428 1.370 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155016280 937621765 /nfs/dbraw/zinc/62/17/65/937621765.db2.gz JFJLYKVJKRHMIW-CQSZACIVSA-N 2 0 281.444 1.731 20 30 CDEDRP CC(C)C[C@@H](CNC(=[NH2+])N1CCOCC1)[NH+]1CCCC1 ZINC000303769083 935043808 /nfs/dbraw/zinc/04/38/08/935043808.db2.gz ATRBYQCBCXJDRY-AWEZNQCLSA-N 2 0 282.432 1.144 20 30 CDEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])NC(C)(C)C ZINC000304820207 935089898 /nfs/dbraw/zinc/08/98/98/935089898.db2.gz BITQKFJUQUTWEI-LLVKDONJSA-N 2 0 258.410 1.046 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001008529252 935405621 /nfs/dbraw/zinc/40/56/21/935405621.db2.gz DZIJUKJEDFBZRU-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014415744 935537120 /nfs/dbraw/zinc/53/71/20/935537120.db2.gz VXZKPJWBXUPSAW-GJZGRUSLSA-N 2 0 277.412 1.073 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001016340251 935610963 /nfs/dbraw/zinc/61/09/63/935610963.db2.gz VXABSBCCMWFGSD-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001020288886 935733878 /nfs/dbraw/zinc/73/38/78/935733878.db2.gz MKWLBJHKJVWXTK-KLHDSHLOSA-N 2 0 291.439 1.816 20 30 CDEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041785463 935803752 /nfs/dbraw/zinc/80/37/52/935803752.db2.gz ICCFWNKQIODOSR-DOTOQJQBSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001046314335 935940723 /nfs/dbraw/zinc/94/07/23/935940723.db2.gz CBYKPGXIAYTENO-GOEBONIOSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@@H](C)[NH2+]CC)C2)CC1 ZINC001048069321 936028366 /nfs/dbraw/zinc/02/83/66/936028366.db2.gz PDVDQGVHAZIUGW-ZBFHGGJFSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001096348430 936048113 /nfs/dbraw/zinc/04/81/13/936048113.db2.gz OLKUEKBDHZQJPM-WCVJEAGWSA-N 2 0 291.439 1.626 20 30 CDEDRP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001049717091 936173964 /nfs/dbraw/zinc/17/39/64/936173964.db2.gz CRVPLHHRASHOEA-ARFHVFGLSA-N 2 0 289.423 1.027 20 30 CDEDRP N#Cc1cc(N[C@@H]([NH3+])CCC[NH3+])nc2ccccc12 ZINC001159787356 938753628 /nfs/dbraw/zinc/75/36/28/938753628.db2.gz UWMDYUQNBWOLKD-CYBMUJFWSA-N 2 0 255.325 1.542 20 30 CDEDRP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001160500753 938791679 /nfs/dbraw/zinc/79/16/79/938791679.db2.gz RUTWJOTXYPVDHF-MRXNPFEDSA-N 2 0 289.423 1.242 20 30 CDEDRP C#CCC[N@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161030328 938859740 /nfs/dbraw/zinc/85/97/40/938859740.db2.gz YQVDRTWKBLZJSA-UHFFFAOYSA-N 2 0 291.439 1.490 20 30 CDEDRP C[NH+]1CCC(C#N)(Nc2ccc3c(n2)CC[NH2+]C3)CC1 ZINC001162226154 938964762 /nfs/dbraw/zinc/96/47/62/938964762.db2.gz XDYSOKYKQGTPSR-UHFFFAOYSA-N 2 0 271.368 1.127 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)c1occc1C[NH+](C)C ZINC001165245798 939532602 /nfs/dbraw/zinc/53/26/02/939532602.db2.gz HRNTYFADRZLAKO-UHFFFAOYSA-N 2 0 279.384 1.627 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001166541971 939612149 /nfs/dbraw/zinc/61/21/49/939612149.db2.gz WTDLVZHUWJRFJE-UHFFFAOYSA-N 2 0 293.455 1.923 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001166987373 939667617 /nfs/dbraw/zinc/66/76/17/939667617.db2.gz RQQULMRWBAWMHY-UHFFFAOYSA-N 2 0 293.455 1.780 20 30 CDEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203793747 939704853 /nfs/dbraw/zinc/70/48/53/939704853.db2.gz TVQLFMNWGRYJTJ-LSDHHAIUSA-N 2 0 291.439 1.367 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211284202 940745583 /nfs/dbraw/zinc/74/55/83/940745583.db2.gz JRZFTDRCGYRIAJ-HNNXBMFYSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001216053310 940918770 /nfs/dbraw/zinc/91/87/70/940918770.db2.gz JREBHZNSSUTTHQ-HZPDHXFCSA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001216511548 940943105 /nfs/dbraw/zinc/94/31/05/940943105.db2.gz SZYHIGVZGZMUDO-HUUCEWRRSA-N 2 0 279.428 1.178 20 30 CDEDRP N#Cc1c2c(sc1NC(=O)[C@@H]1CCCC[NH2+]1)C[NH2+]CC2 ZINC001218553603 941235548 /nfs/dbraw/zinc/23/55/48/941235548.db2.gz QLZHOQAOQGNONX-NSHDSACASA-N 2 0 290.392 1.346 20 30 CDEDRP N#Cc1cc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])ccc1O ZINC001218955061 941293485 /nfs/dbraw/zinc/29/34/85/941293485.db2.gz WJKZOHAZUTWRDB-NSHDSACASA-N 2 0 276.340 1.049 20 30 CDEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001221444830 941536499 /nfs/dbraw/zinc/53/64/99/941536499.db2.gz PDGMNYYOINVIKK-OWCLPIDISA-N 2 0 291.439 1.580 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001221968041 941557101 /nfs/dbraw/zinc/55/71/01/941557101.db2.gz DSLMISDDPZXRAJ-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222052928 941558503 /nfs/dbraw/zinc/55/85/03/941558503.db2.gz ASHMMUOMJARGAU-HZPDHXFCSA-N 2 0 293.455 1.826 20 30 CDEDRP N#Cc1ccc(F)c(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222090775 941563059 /nfs/dbraw/zinc/56/30/59/941563059.db2.gz KEHMVPLVUGJTLE-UHFFFAOYSA-N 2 0 288.370 1.225 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001223525356 941684163 /nfs/dbraw/zinc/68/41/63/941684163.db2.gz SBQLTEBJXMLEEY-INIZCTEOSA-N 2 0 295.471 1.977 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)CC ZINC001227157977 942142784 /nfs/dbraw/zinc/14/27/84/942142784.db2.gz AOSVNKSUACTUBP-ZIAGYGMSSA-N 2 0 279.428 1.367 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C ZINC001229746076 942525257 /nfs/dbraw/zinc/52/52/57/942525257.db2.gz HACRIEQFQUGFGH-KFWWJZLASA-N 2 0 281.444 1.920 20 30 CDEDRP C=CC[NH2+]CCN([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646181 944537994 /nfs/dbraw/zinc/53/79/94/944537994.db2.gz FAPAKMXUYVNISN-HNNXBMFYSA-N 2 0 251.418 1.759 20 30 CDEDRP CCC[NH+]1CCC(NC(=[NH2+])c2ccc(C(N)=O)cc2)CC1 ZINC001258769595 945406253 /nfs/dbraw/zinc/40/62/53/945406253.db2.gz XIMLPXSEQAILJC-UHFFFAOYSA-N 2 0 288.395 1.365 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001479338668 971301839 /nfs/dbraw/zinc/30/18/39/971301839.db2.gz QPNQXUGIMPJPQW-BETUJISGSA-N 2 0 287.835 1.565 20 30 CDEDRP C=CCN1CCC[C@H]1C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254507486 947469631 /nfs/dbraw/zinc/46/96/31/947469631.db2.gz CABHFYBNIRKOSN-CABCVRRESA-N 2 0 251.418 1.711 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])N[C@H]1CC[C@@H](C#N)C1 ZINC001254654855 947575881 /nfs/dbraw/zinc/57/58/81/947575881.db2.gz XQILUVILJXEWLP-NEPJUHHUSA-N 2 0 251.378 1.134 20 30 CDEDRP C=CCCCCCC[C@@H](O)C[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246011613 947892082 /nfs/dbraw/zinc/89/20/82/947892082.db2.gz XOFLCGAIGYQCAK-KGLIPLIRSA-N 2 0 252.402 1.825 20 30 CDEDRP COC(=O)c1ccc(C(=[NH2+])NC2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC001246306401 948094224 /nfs/dbraw/zinc/09/42/24/948094224.db2.gz VACWNKAUTVAEEU-GHMZBOCLSA-N 2 0 289.379 1.708 20 30 CDEDRP N#Cc1cc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)ccc1Cl ZINC001246472541 948192557 /nfs/dbraw/zinc/19/25/57/948192557.db2.gz YLUBKKFPHMLYHC-ZDUSSCGKSA-N 2 0 290.798 1.395 20 30 CDEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246528761 948229285 /nfs/dbraw/zinc/22/92/85/948229285.db2.gz XYIREGRCFSRJAY-MLGOLLRUSA-N 3 0 274.412 1.794 20 30 CDEDRP N#C[C@H]1CCN(C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256860829 948438336 /nfs/dbraw/zinc/43/83/36/948438336.db2.gz GMZULEGKBKNLLQ-CYBMUJFWSA-N 2 0 256.353 1.896 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]CCC[NH+]1CCCCC1 ZINC001252487903 951352582 /nfs/dbraw/zinc/35/25/82/951352582.db2.gz BHJNPQVHSFCULT-AWEZNQCLSA-N 2 0 256.390 1.016 20 30 CDEDRP C=C[C@@H](O)C[NH2+]CC1CC[NH+](Cc2cccnc2)CC1 ZINC001253606588 951990709 /nfs/dbraw/zinc/99/07/09/951990709.db2.gz KHWMYQCAXKFCKA-MRXNPFEDSA-N 2 0 275.396 1.430 20 30 CDEDRP C=C[C@H](O)C[NH2+]CC1CC[NH+](Cc2cccnc2)CC1 ZINC001253606587 951990724 /nfs/dbraw/zinc/99/07/24/951990724.db2.gz KHWMYQCAXKFCKA-INIZCTEOSA-N 2 0 275.396 1.430 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001367381741 957970876 /nfs/dbraw/zinc/97/08/76/957970876.db2.gz ZWQBGDUZGJUREY-LBPRGKRZSA-N 2 0 287.835 1.517 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001319122840 958385504 /nfs/dbraw/zinc/38/55/04/958385504.db2.gz QKVRYQWNPXJHBA-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001419839891 962148729 /nfs/dbraw/zinc/14/87/29/962148729.db2.gz QIJOBULVANKJAQ-NSHDSACASA-N 2 0 273.808 1.175 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001340056710 962714535 /nfs/dbraw/zinc/71/45/35/962714535.db2.gz OPMFDBKISTXIDQ-UONOGXRCSA-N 2 0 267.417 1.517 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)c2ccc(CC[NH3+])cc2)CC1 ZINC001341605123 963479235 /nfs/dbraw/zinc/47/92/35/963479235.db2.gz LDLAASNGEFEDFW-UHFFFAOYSA-N 2 0 287.407 1.568 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001200507513 968359495 /nfs/dbraw/zinc/35/94/95/968359495.db2.gz OUUYVVWLVJUGRW-MRXNPFEDSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001100460301 968414947 /nfs/dbraw/zinc/41/49/47/968414947.db2.gz ZDAXEPHGKFEKDE-UHFFFAOYSA-N 2 0 279.428 1.224 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001100674055 968925058 /nfs/dbraw/zinc/92/50/58/968925058.db2.gz KXNIPUFJOFILRD-IYXRBSQSSA-N 2 0 265.401 1.141 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001132736936 1163459355 /nfs/dbraw/zinc/45/93/55/1163459355.db2.gz GKRMCNJZQBLVLH-ZDUSSCGKSA-N 2 0 287.835 1.567 20 30 CDEDRP C=CCN1CC[C@H]([NH+]2CCC3(CCC[C@@H]3C[NH3+])CC2)C1=O ZINC001574936957 1171055265 /nfs/dbraw/zinc/05/52/65/1171055265.db2.gz QGEHFJYVXGJUSH-CABCVRRESA-N 2 0 291.439 1.614 20 30 CDEDRP C[C@H](CCC#N)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000590593190 342578787 /nfs/dbraw/zinc/57/87/87/342578787.db2.gz LLNPBMAUMHKURR-OAHLLOKOSA-N 2 0 279.428 1.970 20 30 CDEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523983 342268841 /nfs/dbraw/zinc/26/88/41/342268841.db2.gz KRZOIXUEMZPMOC-CYBMUJFWSA-N 2 0 267.417 1.341 20 30 CDEDRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)CC(C)(C)C#N)CC[C@H]21 ZINC000598592618 343838731 /nfs/dbraw/zinc/83/87/31/343838731.db2.gz KEYMRJNGJOLVFT-QLFBSQMISA-N 2 0 279.428 1.703 20 30 CDEDRP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)CC(C)(C)C#N)CCO1 ZINC000598629121 343848516 /nfs/dbraw/zinc/84/85/16/343848516.db2.gz XNLRVYSPQACEQB-HUUCEWRRSA-N 2 0 297.443 1.330 20 30 CDEDRP C[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C[NH+]1CCCC1 ZINC000598719415 343883129 /nfs/dbraw/zinc/88/31/29/343883129.db2.gz HXPHIBTVEFWYNK-ZIAGYGMSSA-N 2 0 267.417 1.609 20 30 CDEDRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598720973 343883790 /nfs/dbraw/zinc/88/37/90/343883790.db2.gz RFWDVLMIERBKLB-HNNXBMFYSA-N 2 0 281.444 1.999 20 30 CDEDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCCC#N)C2)CC1 ZINC000610250290 346229628 /nfs/dbraw/zinc/22/96/28/346229628.db2.gz MKRPGYZATDNHCW-HNNXBMFYSA-N 2 0 264.417 1.390 20 30 CDEDRP N#Cc1cnn2cc(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cnc12 ZINC000603894040 350326798 /nfs/dbraw/zinc/32/67/98/350326798.db2.gz GHDBVBNGKKOUAY-LSDHHAIUSA-N 2 0 296.378 1.317 20 30 CDEDRP CCNC(=[NH2+])NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000264093870 362965176 /nfs/dbraw/zinc/96/51/76/362965176.db2.gz LZQCXUJFYONDMN-LBPRGKRZSA-N 2 0 280.441 1.884 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(F)cc1 ZINC000264124093 362973520 /nfs/dbraw/zinc/97/35/20/362973520.db2.gz RTVOXXUVSQJZAT-CQSZACIVSA-N 2 0 278.375 1.714 20 30 CDEDRP C[C@H]1CCCC[N@@H+]1CCCNC(=[NH2+])N(C)C1CC1 ZINC000305840880 781935000 /nfs/dbraw/zinc/93/50/00/781935000.db2.gz ZCVGGRDQTNVDAX-LBPRGKRZSA-N 2 0 252.406 1.660 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000564431147 357329706 /nfs/dbraw/zinc/32/97/06/357329706.db2.gz XMKZEJWNOLJISY-UHFFFAOYSA-N 2 0 292.427 1.246 20 30 CDEDRP C=CCN1CC[C@@H](N2CC[C@@H](C[N@@H+](C)CC)C2)C1=O ZINC000337187053 360029928 /nfs/dbraw/zinc/02/99/28/360029928.db2.gz PHRLECFPXUCGNB-UONOGXRCSA-N 2 0 265.401 1.047 20 30 CDEDRP CC(C)C[C@@H](CNC(=[NH2+])Nc1ccccn1)[NH+](C)C ZINC000170910250 365160967 /nfs/dbraw/zinc/16/09/67/365160967.db2.gz IQZSCFYGNGIKOH-LBPRGKRZSA-N 2 0 263.389 1.785 20 30 CDEDRP CC[C@@H](C(=O)NC1(C#N)CC[NH+](C)CC1)[NH+](CC)CC ZINC000545188530 369157552 /nfs/dbraw/zinc/15/75/52/369157552.db2.gz KUSASRGBDLIBLX-ZDUSSCGKSA-N 2 0 280.416 1.211 20 30 CDEDRP N#CCC[C@H](C#N)C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000582421093 370617903 /nfs/dbraw/zinc/61/79/03/370617903.db2.gz WNIFMGJKNJYGDI-CABCVRRESA-N 2 0 278.400 1.256 20 30 CDEDRP CC[C@@H]([NH3+])CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423462990 374383059 /nfs/dbraw/zinc/38/30/59/374383059.db2.gz KZRBHPOKFPQGSZ-MRXNPFEDSA-N 2 0 286.423 1.850 20 30 CDEDRP COc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)ccc1C#N ZINC000281669200 195328766 /nfs/dbraw/zinc/32/87/66/195328766.db2.gz LLFCFYXLMMWMOL-UHFFFAOYSA-N 2 0 271.364 1.918 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000236660638 390918167 /nfs/dbraw/zinc/91/81/67/390918167.db2.gz DZWXXINXKYDCEX-VHRNVKJDSA-N 2 0 291.439 1.674 20 30 CDEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000261966719 391743889 /nfs/dbraw/zinc/74/38/89/391743889.db2.gz BNOFUMPZJAEWOD-LBPRGKRZSA-N 2 0 272.396 1.854 20 30 CDEDRP C[C@H]1C[NH+]=C(NC[C@@H](c2ccccc2)[NH+]2CCCC2)N1 ZINC000262683663 391812546 /nfs/dbraw/zinc/81/25/46/391812546.db2.gz XKJRFDICIKEKOR-ZFWWWQNUSA-N 2 0 272.396 1.761 20 30 CDEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366865442 391908502 /nfs/dbraw/zinc/90/85/02/391908502.db2.gz OFEAYGPXRJVXKE-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[C@]1(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000662679964 413299385 /nfs/dbraw/zinc/29/93/85/413299385.db2.gz QNYHMOZUAQQWHR-BFYDXBDKSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)Cn2cncc2C)CC1 ZINC001052562256 782023669 /nfs/dbraw/zinc/02/36/69/782023669.db2.gz NURLIZDMJQFVCB-HNNXBMFYSA-N 2 0 288.395 1.186 20 30 CDEDRP C=CCNC(=[NH2+])NCc1ccccc1C[NH+]1CCCC1 ZINC000195522138 262251975 /nfs/dbraw/zinc/25/19/75/262251975.db2.gz SKIXTHLUPFKQEN-UHFFFAOYSA-N 2 0 272.396 1.873 20 30 CDEDRP C=C(C)C[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000160670937 262295676 /nfs/dbraw/zinc/29/56/76/262295676.db2.gz LWYPCTXQKOTBER-MRXNPFEDSA-N 2 0 289.423 1.913 20 30 CDEDRP CCc1cccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C)C2)c1 ZINC000264088866 262868666 /nfs/dbraw/zinc/86/86/66/262868666.db2.gz KIHDVOOCPVATKC-CYBMUJFWSA-N 2 0 260.385 1.927 20 30 CDEDRP C=CCN1CC[C@@H]([NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)C1=O ZINC000662291145 423919803 /nfs/dbraw/zinc/91/98/03/423919803.db2.gz BVCLQKDHNYSYPT-HZPDHXFCSA-N 2 0 291.439 1.485 20 30 CDEDRP CC#CCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000368139093 267147567 /nfs/dbraw/zinc/14/75/67/267147567.db2.gz NHCDFLQDEMPDCL-HOTGVXAUSA-N 2 0 263.429 1.358 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001019820202 782043232 /nfs/dbraw/zinc/04/32/32/782043232.db2.gz ANPSZTYSUIPJMB-UONOGXRCSA-N 2 0 299.846 1.804 20 30 CDEDRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000192931192 282051594 /nfs/dbraw/zinc/05/15/94/282051594.db2.gz VCNAAIHNCZWQBN-LSDHHAIUSA-N 2 0 278.444 1.684 20 30 CDEDRP C=CC[N@@H+]1CCCC[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001034547334 782089003 /nfs/dbraw/zinc/08/90/03/782089003.db2.gz PJBWCMZGBVMKNR-CYBMUJFWSA-N 2 0 262.357 1.040 20 30 CDEDRP CC#CCN1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001007799711 782093846 /nfs/dbraw/zinc/09/38/46/782093846.db2.gz KPHKHMMILUXXGC-OAHLLOKOSA-N 2 0 296.374 1.552 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000171698067 329078559 /nfs/dbraw/zinc/07/85/59/329078559.db2.gz WZSZWTPCQIWSSV-UHFFFAOYSA-N 2 0 280.416 1.030 20 30 CDEDRP C#C[C@@H](NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)C(C)(C)C ZINC000262334098 330006567 /nfs/dbraw/zinc/00/65/67/330006567.db2.gz WIFOWCKEROHBDW-QWHCGFSZSA-N 2 0 264.417 1.423 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CCCO1)NCC1([NH+](C)C)CCCC1 ZINC000262523647 330022777 /nfs/dbraw/zinc/02/27/77/330022777.db2.gz FWFFMOCXOIZVTA-ZDUSSCGKSA-N 2 0 282.432 1.205 20 30 CDEDRP C[NH+](C)Cc1cccc(CNC(=O)[C@H]([NH3+])CCCC#N)c1 ZINC000424137278 330274759 /nfs/dbraw/zinc/27/47/59/330274759.db2.gz RWZZSWLNFWEUJI-OAHLLOKOSA-N 2 0 288.395 1.386 20 30 CDEDRP C[NH+](C)C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424143133 330287006 /nfs/dbraw/zinc/28/70/06/330287006.db2.gz VZVNWVAMDJUHHW-GJZGRUSLSA-N 2 0 288.395 1.427 20 30 CDEDRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424154806 330301953 /nfs/dbraw/zinc/30/19/53/330301953.db2.gz MAMDFRWZTQAJGN-ZIAGYGMSSA-N 2 0 294.443 1.634 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000424155648 330303412 /nfs/dbraw/zinc/30/34/12/330303412.db2.gz NJAZQUOFQCXWKX-GXTWGEPZSA-N 2 0 278.400 1.141 20 30 CDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000424298864 330336633 /nfs/dbraw/zinc/33/66/33/330336633.db2.gz UEWDDVLCHCZZAB-FQKPHLNHSA-N 2 0 252.402 1.896 20 30 CDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000424298865 330336739 /nfs/dbraw/zinc/33/67/39/330336739.db2.gz UEWDDVLCHCZZAB-LXFSFDBISA-N 2 0 252.402 1.896 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000491813099 332365174 /nfs/dbraw/zinc/36/51/74/332365174.db2.gz PXLWZYWHYQAJNQ-HNNXBMFYSA-N 2 0 291.439 1.180 20 30 CDEDRP C#CCOc1ccccc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000265917959 334689000 /nfs/dbraw/zinc/68/90/00/334689000.db2.gz ZGWOTFFGASIPOW-UHFFFAOYSA-N 2 0 288.391 1.245 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001754806955 1159461577 /nfs/dbraw/zinc/46/15/77/1159461577.db2.gz JTFQHKXFNIJPBS-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001753788597 1159906314 /nfs/dbraw/zinc/90/63/14/1159906314.db2.gz PJWSWMSNCIHHHO-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000992910203 1161131820 /nfs/dbraw/zinc/13/18/20/1161131820.db2.gz TYHQDJXMYJSAMG-OWCLPIDISA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000764369907 575901943 /nfs/dbraw/zinc/90/19/43/575901943.db2.gz BCMWVAOUPFMPEG-UHFFFAOYSA-N 2 0 291.395 1.683 20 30 CDEDRP C#CC[NH2+]C1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC000964393788 612955565 /nfs/dbraw/zinc/95/55/65/612955565.db2.gz XCCIWYPLEATVLK-UHFFFAOYSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977452002 613031430 /nfs/dbraw/zinc/03/14/30/613031430.db2.gz KBAQOQOAFDVLPG-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)CC[N@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000981872338 613251957 /nfs/dbraw/zinc/25/19/57/613251957.db2.gz ICJNDMUDFLQTLG-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000972336543 613288835 /nfs/dbraw/zinc/28/88/35/613288835.db2.gz YCNJRGXZKYVOAJ-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981462614 613350514 /nfs/dbraw/zinc/35/05/14/613350514.db2.gz YCCILMJPGVIQHV-LSDHHAIUSA-N 2 0 291.439 1.675 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939547831 613386172 /nfs/dbraw/zinc/38/61/72/613386172.db2.gz ZXBOPYOPONUMHB-DGCLKSJQSA-N 2 0 297.830 1.271 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948038775 613579359 /nfs/dbraw/zinc/57/93/59/613579359.db2.gz BKZNSMCRZKLAHY-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000948241172 613704765 /nfs/dbraw/zinc/70/47/65/613704765.db2.gz KSPFLEGJIVBXKK-LSDHHAIUSA-N 2 0 279.428 1.580 20 30 CDEDRP C[C@H](C#N)OCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000801933859 625380530 /nfs/dbraw/zinc/38/05/30/625380530.db2.gz GSYKQJNNXAPMFV-YCPHGPKFSA-N 2 0 277.412 1.864 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911750582 629468923 /nfs/dbraw/zinc/46/89/23/629468923.db2.gz DRSLNKHNWHHMOH-UONOGXRCSA-N 2 0 269.433 1.933 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000913517557 630522039 /nfs/dbraw/zinc/52/20/39/630522039.db2.gz GLWBIZRSEQIODT-QGZVFWFLSA-N 2 0 299.418 1.332 20 30 CDEDRP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001691364884 1159037303 /nfs/dbraw/zinc/03/73/03/1159037303.db2.gz JNEIRDDNJXTKDV-ZDUSSCGKSA-N 2 0 253.390 1.095 20 30 CDEDRP CC[C@H](C(=O)NCC[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001130197494 1162569129 /nfs/dbraw/zinc/56/91/29/1162569129.db2.gz JQNVERVOYSDDRP-MRXNPFEDSA-N 2 0 287.407 1.084 20 30 CDEDRP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024634225 1159423793 /nfs/dbraw/zinc/42/37/93/1159423793.db2.gz SRQZYAVAAPLXHI-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001024796508 1159434819 /nfs/dbraw/zinc/43/48/19/1159434819.db2.gz CFGMNPKNDUSPBO-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001024796510 1159435021 /nfs/dbraw/zinc/43/50/21/1159435021.db2.gz CFGMNPKNDUSPBO-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)c1ccccc1CC[NH+](C)C ZINC001131801625 1163058632 /nfs/dbraw/zinc/05/86/32/1163058632.db2.gz LOUZJDQFIKAVLU-UHFFFAOYSA-N 2 0 289.423 1.686 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH+]C)N1CC[C@]2(CCOC2)C1 ZINC000157980872 1161003353 /nfs/dbraw/zinc/00/33/53/1161003353.db2.gz OXSOYSCEZBQYJI-ZBFHGGJFSA-N 2 0 294.443 1.159 20 30 CDEDRP C=CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132410222 1163278970 /nfs/dbraw/zinc/27/89/70/1163278970.db2.gz KIZILYKQYUATLC-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP C[NH+](C)CCCC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001133040443 1163540342 /nfs/dbraw/zinc/54/03/42/1163540342.db2.gz RLUPSXLDORTHBK-UHFFFAOYSA-N 2 0 288.395 1.106 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001133063517 1163556182 /nfs/dbraw/zinc/55/61/82/1163556182.db2.gz BULCBDBOCBZQAN-GJZGRUSLSA-N 2 0 293.455 1.588 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001133226558 1163609164 /nfs/dbraw/zinc/60/91/64/1163609164.db2.gz WBPYYKNMEGFNPJ-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000037894341 1165808394 /nfs/dbraw/zinc/80/83/94/1165808394.db2.gz MYZATIQOBWXTMO-ZFWWWQNUSA-N 2 0 259.353 1.133 20 30 CDEDRP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001691856830 1175637824 /nfs/dbraw/zinc/63/78/24/1175637824.db2.gz ORTFSXODTARUPG-HZPDHXFCSA-N 2 0 293.455 1.663 20 30 CDEDRP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001691965091 1175659210 /nfs/dbraw/zinc/65/92/10/1175659210.db2.gz JHVHQYFHULDGHU-HOTGVXAUSA-N 2 0 293.455 1.376 20 30 CDEDRP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001753203521 1182237582 /nfs/dbraw/zinc/23/75/82/1182237582.db2.gz ZANQOAWKTPKIPX-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001752686775 1184893669 /nfs/dbraw/zinc/89/36/69/1184893669.db2.gz AGUYWPPEKZRMFK-KKUMJFAQSA-N 2 0 279.428 1.530 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001752806992 1184919491 /nfs/dbraw/zinc/91/94/91/1184919491.db2.gz WLVKSDOOAZFRDR-HZPDHXFCSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001752899169 1184955726 /nfs/dbraw/zinc/95/57/26/1184955726.db2.gz AEWLOKHYCKRSDF-GXTWGEPZSA-N 2 0 290.411 1.424 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001753232016 1185126061 /nfs/dbraw/zinc/12/60/61/1185126061.db2.gz HIXCDCKUKUEBQC-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001753713127 1185313256 /nfs/dbraw/zinc/31/32/56/1185313256.db2.gz YVHCYXISSTVWAN-BBRMVZONSA-N 2 0 297.418 1.269 20 30 CDEDRP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001753739002 1185324307 /nfs/dbraw/zinc/32/43/07/1185324307.db2.gz UQLPIWXDAREGBY-AWEZNQCLSA-N 2 0 279.428 1.082 20 30 CDEDRP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001754206842 1185504368 /nfs/dbraw/zinc/50/43/68/1185504368.db2.gz VYXKMHXEEVALEG-ISZGNANSSA-N 2 0 265.401 1.166 20 30 CDEDRP C=CCC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001754225393 1185516976 /nfs/dbraw/zinc/51/69/76/1185516976.db2.gz UWUDCWVVKUTUIF-CQSZACIVSA-N 2 0 281.444 1.921 20 30 CDEDRP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001754255623 1185532785 /nfs/dbraw/zinc/53/27/85/1185532785.db2.gz UUOJFBZVHIYXRY-CABCVRRESA-N 2 0 279.428 1.224 20 30 CDEDRP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001754311035 1185570085 /nfs/dbraw/zinc/57/00/85/1185570085.db2.gz NVIPVLYIBYILER-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)CCC ZINC001755201774 1185852861 /nfs/dbraw/zinc/85/28/61/1185852861.db2.gz VLDOXRCXZLBGEH-HNNXBMFYSA-N 2 0 279.428 1.274 20 30 CDEDRP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)CC[NH+](C)C ZINC001755286768 1185890178 /nfs/dbraw/zinc/89/01/78/1185890178.db2.gz ZNRKKCNMIYVPKH-UHFFFAOYSA-N 2 0 267.417 1.036 20 30 CDEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001755458930 1185955557 /nfs/dbraw/zinc/95/55/57/1185955557.db2.gz WFIQCIHVIAGIFC-UHFFFAOYSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC1(C)C ZINC001755762694 1186060886 /nfs/dbraw/zinc/06/08/86/1186060886.db2.gz IRVWAHZNXJZFFB-CQSZACIVSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858156 1164108110 /nfs/dbraw/zinc/10/81/10/1164108110.db2.gz OYUYTEZSUWBJLG-KBPBESRZSA-N 2 0 279.428 1.674 20 30 CDEDRP C=CCOCc1nn([C@H]2CC[N@@H+](CC)C2)c2c1C[NH2+]C2 ZINC001173364759 912488955 /nfs/dbraw/zinc/48/89/55/912488955.db2.gz UCLFWPBEHMDHPP-LBPRGKRZSA-N 2 0 276.384 1.456 20 30 CDEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175054693 913444463 /nfs/dbraw/zinc/44/44/63/913444463.db2.gz AVMFJIJXKKOFCI-OAHLLOKOSA-N 2 0 293.455 1.616 20 30 CDEDRP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001272566062 913454422 /nfs/dbraw/zinc/45/44/22/913454422.db2.gz QYVPJHHPEHBOAI-CABCVRRESA-N 2 0 279.428 1.178 20 30 CDEDRP C#CCC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001039040123 894211971 /nfs/dbraw/zinc/21/19/71/894211971.db2.gz NYYVJGCZNDSFTA-KRWDZBQOSA-N 2 0 299.418 1.576 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001206948109 895010047 /nfs/dbraw/zinc/01/00/47/895010047.db2.gz VAKTUDTXIMGXNN-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001021088586 895100950 /nfs/dbraw/zinc/10/09/50/895100950.db2.gz UVHBUTIOYRDOAL-XUXIUFHCSA-N 2 0 265.401 1.282 20 30 CDEDRP C[C@H](CNC(=[NH2+])NC(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC000262018652 896572343 /nfs/dbraw/zinc/57/23/43/896572343.db2.gz XATLOTFZANIRDO-VXGBXAGGSA-N 2 0 254.422 1.952 20 30 CDEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104624130 898809564 /nfs/dbraw/zinc/80/95/64/898809564.db2.gz PBIKOXPDUQUYPW-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP COc1ccccc1CNC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000170912081 898946527 /nfs/dbraw/zinc/94/65/27/898946527.db2.gz XWIDJNBTTQJZHJ-UHFFFAOYSA-N 2 0 290.411 1.441 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCC2CC2)CC1 ZINC001176926789 914358904 /nfs/dbraw/zinc/35/89/04/914358904.db2.gz VGLHCDPNOCDZOO-UHFFFAOYSA-N 2 0 291.439 1.228 20 30 CDEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105010645 899785739 /nfs/dbraw/zinc/78/57/39/899785739.db2.gz UOUQPNDBMAYHEJ-OAGGEKHMSA-N 2 0 293.455 1.588 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000993928240 914408924 /nfs/dbraw/zinc/40/89/24/914408924.db2.gz MKTULLXVTDKTJF-GOEBONIOSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001008553005 900145548 /nfs/dbraw/zinc/14/55/48/900145548.db2.gz SRGWZCVPWZHWPH-HNNXBMFYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176999450 914423745 /nfs/dbraw/zinc/42/37/45/914423745.db2.gz WWZPIBKMJQLXEL-HNNXBMFYSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176991454 914419662 /nfs/dbraw/zinc/41/96/62/914419662.db2.gz BJCLYZNGVDKKQM-OAHLLOKOSA-N 2 0 281.444 1.923 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176998892 914424008 /nfs/dbraw/zinc/42/40/08/914424008.db2.gz KKOYJKWSOALGIM-HNNXBMFYSA-N 2 0 279.428 1.226 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001015705359 914437075 /nfs/dbraw/zinc/43/70/75/914437075.db2.gz JUZMKAQWTUZSHR-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001027631499 900694136 /nfs/dbraw/zinc/69/41/36/900694136.db2.gz URAPRPMZUCDNQT-ZDUSSCGKSA-N 2 0 276.384 1.451 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001167814892 901048044 /nfs/dbraw/zinc/04/80/44/901048044.db2.gz JMJIELRGYQMVRV-UHFFFAOYSA-N 2 0 281.444 1.780 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001481823777 902173855 /nfs/dbraw/zinc/17/38/55/902173855.db2.gz LKNLYPBMALYQLM-GJZGRUSLSA-N 2 0 281.444 1.921 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177336403 914605872 /nfs/dbraw/zinc/60/58/72/914605872.db2.gz DAJRXGDZESPOHU-UHFFFAOYSA-N 2 0 279.428 1.372 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001028579494 902655212 /nfs/dbraw/zinc/65/52/12/902655212.db2.gz FVRDHGLVFGFBQR-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP CC[N@H+](CCNC(=[NH+]C)N1CC[C@@]2(CCOC2)C1)C1CC1 ZINC000261957101 904577239 /nfs/dbraw/zinc/57/72/39/904577239.db2.gz JBRZWEGHSMLMEI-MRXNPFEDSA-N 2 0 294.443 1.159 20 30 CDEDRP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1CC ZINC001087523077 905373082 /nfs/dbraw/zinc/37/30/82/905373082.db2.gz IOZLUGSXFZRBHM-ZNMIVQPWSA-N 2 0 277.412 1.073 20 30 CDEDRP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1C#N ZINC000087824045 906115739 /nfs/dbraw/zinc/11/57/39/906115739.db2.gz BVVSNUWSNYAUAK-CQSZACIVSA-N 2 0 273.380 1.998 20 30 CDEDRP CC[N@H+](CCNC(=[NH2+])N1CCC[C@H](C)C1)C(C)C ZINC000303980281 906684732 /nfs/dbraw/zinc/68/47/32/906684732.db2.gz OBLICWPWNIVUSH-ZDUSSCGKSA-N 2 0 254.422 1.763 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000985639580 906932488 /nfs/dbraw/zinc/93/24/88/906932488.db2.gz VESAYKMEYRTEJM-OAHLLOKOSA-N 2 0 281.444 1.681 20 30 CDEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000985752430 907091409 /nfs/dbraw/zinc/09/14/09/907091409.db2.gz TYZUXYMSZRUUQD-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC000986357966 907468371 /nfs/dbraw/zinc/46/83/71/907468371.db2.gz VCFUCWUHLQAMLS-OCCSQVGLSA-N 2 0 265.401 1.236 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001003627144 921364613 /nfs/dbraw/zinc/36/46/13/921364613.db2.gz DGDJILAYBFSEFF-AWEZNQCLSA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001003740898 921421201 /nfs/dbraw/zinc/42/12/01/921421201.db2.gz LVNZSJLEYBZZIX-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2cncn2C)C1 ZINC000989735498 908991449 /nfs/dbraw/zinc/99/14/49/908991449.db2.gz BFURRJAVCIMXQS-QWHCGFSZSA-N 2 0 276.384 1.118 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]C(C)C)C[C@H]2C)CC1 ZINC000989828574 909016824 /nfs/dbraw/zinc/01/68/24/909016824.db2.gz FYMABBHMYBHQPZ-ZBFHGGJFSA-N 2 0 291.439 1.319 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001171500643 910805136 /nfs/dbraw/zinc/80/51/36/910805136.db2.gz MTYQXUUSXYSRNV-ZIAGYGMSSA-N 2 0 267.417 1.224 20 30 CDEDRP CC(C)[NH+]1CCN(CC[NH2+][C@@H](C)CCCC#N)CC1 ZINC001172483522 911687268 /nfs/dbraw/zinc/68/72/68/911687268.db2.gz RTJPFFYQYWCBOG-HNNXBMFYSA-N 2 0 266.433 1.684 20 30 CDEDRP C[C@@H](CCCC#N)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001172493872 911729634 /nfs/dbraw/zinc/72/96/34/911729634.db2.gz WFYNNPBUUMTKGK-ZDUSSCGKSA-N 2 0 265.401 1.769 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178925920 915671832 /nfs/dbraw/zinc/67/18/32/915671832.db2.gz NEMZGYXQQXMOSJ-JYJNAYRXSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001097719022 936353140 /nfs/dbraw/zinc/35/31/40/936353140.db2.gz VVLBCINNGHRPGN-RBZJEDDUSA-N 2 0 291.439 1.624 20 30 CDEDRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=[NH2+])N2CCOCC2)C1 ZINC000303888377 935046578 /nfs/dbraw/zinc/04/65/78/935046578.db2.gz LJCKKCUYYMLLKI-KBPBESRZSA-N 2 0 282.432 1.001 20 30 CDEDRP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000303895532 935047228 /nfs/dbraw/zinc/04/72/28/935047228.db2.gz TYNAITDHSPTJMR-CQSZACIVSA-N 2 0 266.433 1.907 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052678123 936396603 /nfs/dbraw/zinc/39/66/03/936396603.db2.gz UUYDMIOBXLPGKZ-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001052712500 936398695 /nfs/dbraw/zinc/39/86/95/936398695.db2.gz JMZSMPKTRKTXAD-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032128791 917838506 /nfs/dbraw/zinc/83/85/06/917838506.db2.gz KIESBASXKXAQME-HOTGVXAUSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001054664952 936466409 /nfs/dbraw/zinc/46/64/09/936466409.db2.gz ZDISHGRTOBLYFK-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001182591660 917981051 /nfs/dbraw/zinc/98/10/51/917981051.db2.gz YVEIXZYMHQWBJD-OAHLLOKOSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)CC1(C)C ZINC000996354966 918250784 /nfs/dbraw/zinc/25/07/84/918250784.db2.gz KKSJFILGCQKESS-CYBMUJFWSA-N 2 0 276.384 1.355 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001183240405 918403634 /nfs/dbraw/zinc/40/36/34/918403634.db2.gz DACAZAIYYVWEHX-JKSUJKDBSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001000381304 936529940 /nfs/dbraw/zinc/52/99/40/936529940.db2.gz YEHOVHINEFNABS-HOTGVXAUSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001000991944 936544891 /nfs/dbraw/zinc/54/48/91/936544891.db2.gz KCFJEFLJNCRJGU-HNNXBMFYSA-N 2 0 279.428 1.629 20 30 CDEDRP C#CC[N@H+]1CC=C(CNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001000913190 936542722 /nfs/dbraw/zinc/54/27/22/936542722.db2.gz IOEWONCRDVTBJU-UHFFFAOYSA-N 2 0 294.358 1.329 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050181213 936556758 /nfs/dbraw/zinc/55/67/58/936556758.db2.gz GDPQHDKENSBXBX-OWCLPIDISA-N 2 0 291.439 1.437 20 30 CDEDRP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001032454351 919154114 /nfs/dbraw/zinc/15/41/14/919154114.db2.gz NTOFHOUCGJTZPE-KKUMJFAQSA-N 2 0 277.412 1.332 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001184555937 919192492 /nfs/dbraw/zinc/19/24/92/919192492.db2.gz NEGIDNUKCRAOCJ-LSDHHAIUSA-N 2 0 293.455 1.731 20 30 CDEDRP C[NH+](C)CCOc1ccc(CN2CC[C@H](C#N)C2)cc1 ZINC001138773037 936565432 /nfs/dbraw/zinc/56/54/32/936565432.db2.gz MQEGUISYFVYSRH-OAHLLOKOSA-N 2 0 273.380 1.972 20 30 CDEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000997642900 919321441 /nfs/dbraw/zinc/32/14/41/919321441.db2.gz VYHKTTZVGFXLTM-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001185335165 919555016 /nfs/dbraw/zinc/55/50/16/919555016.db2.gz APMXXWPJOHRGJX-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999409389 919751752 /nfs/dbraw/zinc/75/17/52/919751752.db2.gz XPLGYEOUXHKKCW-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001187276590 920447684 /nfs/dbraw/zinc/44/76/84/920447684.db2.gz OGFRXXAABHRYHS-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001078809580 920470000 /nfs/dbraw/zinc/47/00/00/920470000.db2.gz JUZAKXYQXWJZNZ-LSDHHAIUSA-N 2 0 291.439 1.675 20 30 CDEDRP C[C@@H]1CNC(NN=C[C@](C)(C[NH+](C)C)c2ccccc2)=[NH+]1 ZINC000834971027 936712090 /nfs/dbraw/zinc/71/20/90/936712090.db2.gz TUIFXAFSOOUOII-CZUORRHYSA-N 2 0 287.411 1.429 20 30 CDEDRP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001072953197 936713112 /nfs/dbraw/zinc/71/31/12/936713112.db2.gz SCAIGQPNWDPZPP-OAHLLOKOSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190221845 921905117 /nfs/dbraw/zinc/90/51/17/921905117.db2.gz QNIJUKKZXIAUNI-HZPDHXFCSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001190491286 922047371 /nfs/dbraw/zinc/04/73/71/922047371.db2.gz FKZJHUFAAYLCMM-HZPDHXFCSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001044745790 922081024 /nfs/dbraw/zinc/08/10/24/922081024.db2.gz ZUZIZURRKXHROU-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001190675063 922130687 /nfs/dbraw/zinc/13/06/87/922130687.db2.gz GZYPYPLQCKLETI-INIZCTEOSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296228 922138959 /nfs/dbraw/zinc/13/89/59/922138959.db2.gz RGJKZEMILRZFNB-HOTGVXAUSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001074663229 936739022 /nfs/dbraw/zinc/73/90/22/936739022.db2.gz SCARXRDVOLNSOQ-ZQDZILKHSA-N 2 0 279.428 1.482 20 30 CDEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190945820 922303243 /nfs/dbraw/zinc/30/32/43/922303243.db2.gz FQTJPZXKUFVUID-CABCVRRESA-N 2 0 277.412 1.027 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034378059 922616867 /nfs/dbraw/zinc/61/68/67/922616867.db2.gz OUMBVAWDEIABPS-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034490369 922647581 /nfs/dbraw/zinc/64/75/81/922647581.db2.gz KYPMWZWFYBNPJJ-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034526602 922655570 /nfs/dbraw/zinc/65/55/70/922655570.db2.gz ZOZSZTXLJVEAHE-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001036158491 923114896 /nfs/dbraw/zinc/11/48/96/923114896.db2.gz BUFNBSUJJUPFPE-HIFRSBDPSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192946726 923330233 /nfs/dbraw/zinc/33/02/33/923330233.db2.gz FMKNWHCZSQLOIY-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP C#CCN1CCC[C@H](NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)C1 ZINC000923565873 923944783 /nfs/dbraw/zinc/94/47/83/923944783.db2.gz LMTRQKBAVXFCDE-KGLIPLIRSA-N 2 0 279.428 1.367 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001079697931 924408523 /nfs/dbraw/zinc/40/85/23/924408523.db2.gz BRUHMZYQARXTMD-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001079707443 924409699 /nfs/dbraw/zinc/40/96/99/924409699.db2.gz FWXXZUXIGFFXLS-VNQPRFMTSA-N 2 0 291.439 1.341 20 30 CDEDRP CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001079806437 924432456 /nfs/dbraw/zinc/43/24/56/924432456.db2.gz GSRKOIXRIKGJDR-BZUAXINKSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001080852656 924645587 /nfs/dbraw/zinc/64/55/87/924645587.db2.gz OFWDCIDMGFZRLG-BXUZGUMPSA-N 2 0 276.384 1.273 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001100872935 936942202 /nfs/dbraw/zinc/94/22/02/936942202.db2.gz OPDIZJQZBNVGGC-QQFBHYJXSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001101031540 936953127 /nfs/dbraw/zinc/95/31/27/936953127.db2.gz HWOYZWRMXYGFJJ-UHFFFAOYSA-N 2 0 293.455 1.923 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001082782486 924998415 /nfs/dbraw/zinc/99/84/15/924998415.db2.gz AZQBPFXNWUTMRW-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCC(=C)C)CC1 ZINC001152324115 925102773 /nfs/dbraw/zinc/10/27/73/925102773.db2.gz LLPMYDWGKVSFIO-UHFFFAOYSA-N 2 0 277.412 1.004 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340083 925153311 /nfs/dbraw/zinc/15/33/11/925153311.db2.gz FZDBKWBJOUUMIM-UHFFFAOYSA-N 2 0 253.390 1.144 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084232209 925196500 /nfs/dbraw/zinc/19/65/00/925196500.db2.gz WNSHJZNEKATBJE-QLFBSQMISA-N 2 0 277.412 1.189 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084905584 925488804 /nfs/dbraw/zinc/48/88/04/925488804.db2.gz DDLHJLXOOJJZRA-OAGGEKHMSA-N 2 0 291.439 1.580 20 30 CDEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051725 937039135 /nfs/dbraw/zinc/03/91/35/937039135.db2.gz ISTUMRCJVPOMGM-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375607 937055242 /nfs/dbraw/zinc/05/52/42/937055242.db2.gz SUESMVYPIFNVHM-HUUCEWRRSA-N 2 0 293.455 1.282 20 30 CDEDRP CC#CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001085988268 926569907 /nfs/dbraw/zinc/56/99/07/926569907.db2.gz YIPOHWDDWQRNGQ-JKSUJKDBSA-N 2 0 291.439 1.417 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001202473665 926755825 /nfs/dbraw/zinc/75/58/25/926755825.db2.gz NIAWDNZDQPDZLD-INIZCTEOSA-N 2 0 293.455 1.711 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378955 937138430 /nfs/dbraw/zinc/13/84/30/937138430.db2.gz RTKPHVXQGOTTGF-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP CCC[NH+](CCC)CCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852862130 927898276 /nfs/dbraw/zinc/89/82/76/927898276.db2.gz ULJMUXJPIBDUSL-UHFFFAOYSA-N 2 0 293.455 1.618 20 30 CDEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110693959 928326630 /nfs/dbraw/zinc/32/66/30/928326630.db2.gz WXCPRXYLMNGOFN-WCVJEAGWSA-N 2 0 293.455 1.870 20 30 CDEDRP CCNC(NC[C@H]1CC[N@@H+](C(C)(C)C)C1)=[NH+]CC ZINC000693006985 937237795 /nfs/dbraw/zinc/23/77/95/937237795.db2.gz SLDCYQBMXBVPDS-GFCCVEGCSA-N 2 0 254.422 1.682 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129357499 928612301 /nfs/dbraw/zinc/61/23/01/928612301.db2.gz MTCSULRHHQJFFM-UHFFFAOYSA-N 2 0 253.390 1.143 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CCC)C2 ZINC001108802698 928637516 /nfs/dbraw/zinc/63/75/16/928637516.db2.gz KHQMLCJCDOTOON-JYJNAYRXSA-N 2 0 291.439 1.321 20 30 CDEDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000857234857 928684498 /nfs/dbraw/zinc/68/44/98/928684498.db2.gz NULOBDMDIJTAPW-MCIONIFRSA-N 2 0 267.417 1.750 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001110016394 929105659 /nfs/dbraw/zinc/10/56/59/929105659.db2.gz MEJJCQDCNBPBSC-RDBSUJKOSA-N 2 0 265.401 1.236 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001202504297 929146139 /nfs/dbraw/zinc/14/61/39/929146139.db2.gz SODUMGJQESQFBM-HOCLYGCPSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+](CC)CC)C2 ZINC001112548348 929156207 /nfs/dbraw/zinc/15/62/07/929156207.db2.gz VBIQPVPIBNBDOS-RDJZCZTQSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584867 929798052 /nfs/dbraw/zinc/79/80/52/929798052.db2.gz XRISWULTUROXMN-STQMWFEESA-N 2 0 267.417 1.530 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858807 929935815 /nfs/dbraw/zinc/93/58/15/929935815.db2.gz YVESXRINTYIKON-GJZGRUSLSA-N 2 0 291.439 1.511 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180047 930085927 /nfs/dbraw/zinc/08/59/27/930085927.db2.gz CFGWWJLSCWJDPS-GJZGRUSLSA-N 2 0 293.455 1.757 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299338 930135706 /nfs/dbraw/zinc/13/57/06/930135706.db2.gz WENWRYSONOYJJA-STQMWFEESA-N 2 0 267.417 1.387 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135481353 930219466 /nfs/dbraw/zinc/21/94/66/930219466.db2.gz UAUBLWLXNNBKES-LSDHHAIUSA-N 2 0 295.471 1.861 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939002 930550682 /nfs/dbraw/zinc/55/06/82/930550682.db2.gz RPQKYQPDSWLGRR-CHWSQXEVSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939004 930551080 /nfs/dbraw/zinc/55/10/80/930551080.db2.gz RPQKYQPDSWLGRR-QWHCGFSZSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135955093 930563817 /nfs/dbraw/zinc/56/38/17/930563817.db2.gz GTJJIVLRGKAJBG-KGLIPLIRSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135961390 930579487 /nfs/dbraw/zinc/57/94/87/930579487.db2.gz POUJOMZPIBNOFX-ZIAGYGMSSA-N 2 0 267.417 1.224 20 30 CDEDRP N#Cc1cc(Cl)c(Cl)nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159782993 930840545 /nfs/dbraw/zinc/84/05/45/930840545.db2.gz AGJPWDMKZNVGOP-MRVPVSSYSA-N 2 0 274.155 1.696 20 30 CDEDRP CCCCOCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000104153631 931320901 /nfs/dbraw/zinc/32/09/01/931320901.db2.gz HFOIVSFOISXKBA-CQSZACIVSA-N 2 0 284.448 1.582 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171247301 932118080 /nfs/dbraw/zinc/11/80/80/932118080.db2.gz LARDJQNZXUJDRP-ZBFHGGJFSA-N 2 0 293.455 1.615 20 30 CDEDRP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146408393 932245655 /nfs/dbraw/zinc/24/56/55/932245655.db2.gz IMAROQXJOVDOTF-CABCVRRESA-N 2 0 281.444 1.921 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146593859 932270427 /nfs/dbraw/zinc/27/04/27/932270427.db2.gz QSOKIXCZZDHLAJ-KBPBESRZSA-N 2 0 267.417 1.223 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001171317705 932636099 /nfs/dbraw/zinc/63/60/99/932636099.db2.gz KFDKPICIPRMJFP-CVEARBPZSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CC[N@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148153056 932655189 /nfs/dbraw/zinc/65/51/89/932655189.db2.gz HSHPRJJOUAYSMO-UHFFFAOYSA-N 2 0 277.412 1.049 20 30 CDEDRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000929505690 933242231 /nfs/dbraw/zinc/24/22/31/933242231.db2.gz JDNCYDQMPSEGLQ-CQSZACIVSA-N 2 0 253.390 1.313 20 30 CDEDRP C#CCC[NH2+]C1(CNC(=O)C[N@@H+](C)CCC)CCCCC1 ZINC001120045963 937776269 /nfs/dbraw/zinc/77/62/69/937776269.db2.gz KHUYFSOMMVDVRI-UHFFFAOYSA-N 2 0 293.455 1.760 20 30 CDEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120129873 937782383 /nfs/dbraw/zinc/78/23/83/937782383.db2.gz PYGZMTRSZQJILR-OAHLLOKOSA-N 2 0 291.439 1.370 20 30 CDEDRP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778527 934962632 /nfs/dbraw/zinc/96/26/32/934962632.db2.gz MBELWUZQGFCWMB-QLPKVWCKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001114826024 934996710 /nfs/dbraw/zinc/99/67/10/934996710.db2.gz BLMKQQUEHVAHMG-BARDWOONSA-N 2 0 279.428 1.339 20 30 CDEDRP COCCNC(=[NH2+])NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000303258353 935023608 /nfs/dbraw/zinc/02/36/08/935023608.db2.gz KUMOYXGVVLCNJI-ZIAGYGMSSA-N 2 0 284.448 1.295 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccco1 ZINC000303793075 935043259 /nfs/dbraw/zinc/04/32/59/935043259.db2.gz YYRZGFFLHQDVFS-LBPRGKRZSA-N 2 0 264.373 1.211 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH+]1CCC[C@H](C)C1 ZINC000303878967 935045771 /nfs/dbraw/zinc/04/57/71/935045771.db2.gz GHDZJPQIKQWAKQ-GJZGRUSLSA-N 3 0 295.475 1.107 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038671132 935233305 /nfs/dbraw/zinc/23/33/05/935233305.db2.gz PPICTOSISZONAA-CQSZACIVSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001009203854 935421331 /nfs/dbraw/zinc/42/13/31/935421331.db2.gz SUTQSFCSUQEBEL-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014482291 935539327 /nfs/dbraw/zinc/53/93/27/935539327.db2.gz FLRZQGJVPTZARX-HZSPNIEDSA-N 2 0 265.401 1.093 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015929592 935593421 /nfs/dbraw/zinc/59/34/21/935593421.db2.gz YLTJXYMMGKQLCQ-MRXNPFEDSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001016827519 935624243 /nfs/dbraw/zinc/62/42/43/935624243.db2.gz WVIAIPYYPBCCFE-HUUCEWRRSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001017944529 935656055 /nfs/dbraw/zinc/65/60/55/935656055.db2.gz MAXFJAWVXAZYDC-LVQVYYBASA-N 2 0 291.439 1.435 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001020355339 935735162 /nfs/dbraw/zinc/73/51/62/935735162.db2.gz YZYTXSPYRUVZHQ-JOCQHMNTSA-N 2 0 270.336 1.371 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001038454570 935745469 /nfs/dbraw/zinc/74/54/69/935745469.db2.gz NDBFUYGQWYHEHB-OAHLLOKOSA-N 2 0 291.439 1.772 20 30 CDEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001041141711 935792954 /nfs/dbraw/zinc/79/29/54/935792954.db2.gz PSEZPTSGDWWAKZ-GOEBONIOSA-N 2 0 277.412 1.191 20 30 CDEDRP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001041142200 935794555 /nfs/dbraw/zinc/79/45/55/935794555.db2.gz VAAQWFZLIIZWIT-WBVHZDCISA-N 2 0 289.423 1.028 20 30 CDEDRP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001041685561 935802989 /nfs/dbraw/zinc/80/29/89/935802989.db2.gz HRMHOCGYDMOVBV-RDJZCZTQSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CCc2cncn2C)[C@@H](C)C1 ZINC001044836986 935871353 /nfs/dbraw/zinc/87/13/53/935871353.db2.gz NKLZFTPRNZLUEW-KBPBESRZSA-N 2 0 290.411 1.508 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC)C[C@H]2C)CC1 ZINC001044869579 935871876 /nfs/dbraw/zinc/87/18/76/935871876.db2.gz ATCDXBIZRZHFGI-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(Cl)CN1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046598245 935961831 /nfs/dbraw/zinc/96/18/31/935961831.db2.gz NBIKRTMHTPODEX-HNNXBMFYSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829755 936081269 /nfs/dbraw/zinc/08/12/69/936081269.db2.gz VYDGZTVMFNUOGW-LVQVYYBASA-N 2 0 291.439 1.293 20 30 CDEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001048859976 936085752 /nfs/dbraw/zinc/08/57/52/936085752.db2.gz BEKKAAZVBKJFLT-GASCZTMLSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001096539395 936150609 /nfs/dbraw/zinc/15/06/09/936150609.db2.gz XYCRPMMKZDAWQU-FZKCQIBNSA-N 2 0 291.439 1.626 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC001122004974 937898419 /nfs/dbraw/zinc/89/84/19/937898419.db2.gz UDGINLZQJXGYFX-UONOGXRCSA-N 2 0 267.417 1.661 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC001122055750 937902417 /nfs/dbraw/zinc/90/24/17/937902417.db2.gz NCMDJXQNHGEHRC-JKSUJKDBSA-N 2 0 293.455 1.908 20 30 CDEDRP C=CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)CCC ZINC001156525680 938379359 /nfs/dbraw/zinc/37/93/59/938379359.db2.gz UDBIDBXZLVTXRB-CYBMUJFWSA-N 2 0 255.406 1.341 20 30 CDEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156934215 938436058 /nfs/dbraw/zinc/43/60/58/938436058.db2.gz BAIDNFFGBRLUNU-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP N#Cc1c2c(sc1NC1=CCC[NH2+]C1)C[NH2+]CC2 ZINC001159159673 938706939 /nfs/dbraw/zinc/70/69/39/938706939.db2.gz NIHXTAIILUFXTJ-UHFFFAOYSA-N 2 0 260.366 1.555 20 30 CDEDRP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001160500751 938791553 /nfs/dbraw/zinc/79/15/53/938791553.db2.gz RUTWJOTXYPVDHF-INIZCTEOSA-N 2 0 289.423 1.242 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160966836 938852274 /nfs/dbraw/zinc/85/22/74/938852274.db2.gz DGHIGIXMCLOYQK-NEPJUHHUSA-N 2 0 289.370 1.645 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001162317057 939022561 /nfs/dbraw/zinc/02/25/61/939022561.db2.gz UWPIVOAJFMSAII-UHFFFAOYSA-N 2 0 299.378 1.553 20 30 CDEDRP C[C@H]1CC[C@@H](C[NH3+])N(c2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001164061638 939402754 /nfs/dbraw/zinc/40/27/54/939402754.db2.gz GDPYPHIJVKDWFF-JSGCOSHPSA-N 2 0 299.422 1.553 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165776446 939576910 /nfs/dbraw/zinc/57/69/10/939576910.db2.gz JCULVURYMLMAHV-UHFFFAOYSA-N 2 0 253.390 1.000 20 30 CDEDRP C[C@H]1C[N@H+](Cc2ccc(C#N)cn2)CCC[C@@H]1C[NH3+] ZINC001206011193 939967363 /nfs/dbraw/zinc/96/73/63/939967363.db2.gz ANBSDKWVEASOOP-GXTWGEPZSA-N 2 0 258.369 1.760 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001206275511 940009941 /nfs/dbraw/zinc/00/99/41/940009941.db2.gz UXOJBWKQZSTXFV-AWEZNQCLSA-N 2 0 279.428 1.342 20 30 CDEDRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(C#N)cn2)CC1 ZINC001206318452 940017268 /nfs/dbraw/zinc/01/72/68/940017268.db2.gz PQSULTRWEJXNGT-HNNXBMFYSA-N 2 0 258.369 1.904 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001208362138 940324659 /nfs/dbraw/zinc/32/46/59/940324659.db2.gz KZMDXSOQWZXZOJ-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208453647 940332270 /nfs/dbraw/zinc/33/22/70/940332270.db2.gz MIHGLTJFPJXOPH-CYBMUJFWSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCN1CC[NH+](CC2CC[NH+](CC)CC2)CC1 ZINC001208599995 940346836 /nfs/dbraw/zinc/34/68/36/940346836.db2.gz NZMYJQOCDLKHHQ-UHFFFAOYSA-N 2 0 251.418 1.522 20 30 CDEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378265 940771707 /nfs/dbraw/zinc/77/17/07/940771707.db2.gz JJXXVPKVGZCTIW-RBSFLKMASA-N 2 0 297.443 1.108 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214664147 940835067 /nfs/dbraw/zinc/83/50/67/940835067.db2.gz NCYDSMSODHNACA-KBUPBQIOSA-N 2 0 279.428 1.339 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216756192 940964720 /nfs/dbraw/zinc/96/47/20/940964720.db2.gz WIQCMDHMHFWTSI-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP N#CCc1cccc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c1 ZINC001218987960 941298098 /nfs/dbraw/zinc/29/80/98/941298098.db2.gz PYFVIAGLZKTBJG-ZDUSSCGKSA-N 2 0 260.341 1.147 20 30 CDEDRP N#Cc1c[nH]c2cc(NC(=O)[C@H]([NH3+])C3CC[NH2+]CC3)ccc12 ZINC001219044335 941302125 /nfs/dbraw/zinc/30/21/25/941302125.db2.gz BTKXDLTUNYTRFK-OAHLLOKOSA-N 2 0 297.362 1.305 20 30 CDEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCC1(C#N)CCC1 ZINC001219633046 941366648 /nfs/dbraw/zinc/36/66/48/941366648.db2.gz WJYSYJONUKEZEW-ZDUSSCGKSA-N 2 0 280.416 1.292 20 30 CDEDRP CCc1cc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)ccc1C#N ZINC001222104604 941566372 /nfs/dbraw/zinc/56/63/72/941566372.db2.gz IVNMAOWPEKWYBO-UHFFFAOYSA-N 2 0 298.434 1.648 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001223533452 941684528 /nfs/dbraw/zinc/68/45/28/941684528.db2.gz JNAVZNCOWUAKFW-INIZCTEOSA-N 2 0 293.455 1.424 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001228595306 942339904 /nfs/dbraw/zinc/33/99/04/942339904.db2.gz UQSCFUDAZHDHPW-BZUAXINKSA-N 2 0 291.439 1.511 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001230353451 942610906 /nfs/dbraw/zinc/61/09/06/942610906.db2.gz YVPMJYUMNHVRHB-UHFFFAOYSA-N 2 0 277.412 1.076 20 30 CDEDRP C=CCCCCCCC[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235870177 944302482 /nfs/dbraw/zinc/30/24/82/944302482.db2.gz PEUIFMSTZKQDCX-UHFFFAOYSA-N 2 0 296.503 1.597 20 30 CDEDRP C=C(C)[C@@H]1CC=C(CN2C[C@H]([NH3+])C3(COC3)C2)CC1 ZINC001237175295 944675604 /nfs/dbraw/zinc/67/56/04/944675604.db2.gz HYERDZJKGNGTFU-CABCVRRESA-N 2 0 262.397 1.949 20 30 CDEDRP C=CCCCCCC[C@@H](O)C[NH2+]CCCN1CC[NH2+]CC1 ZINC001245981693 947876588 /nfs/dbraw/zinc/87/65/88/947876588.db2.gz QFTKAKKQMQFFMY-QGZVFWFLSA-N 2 0 297.487 1.759 20 30 CDEDRP N#Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246310177 948096811 /nfs/dbraw/zinc/09/68/11/948096811.db2.gz ZGYWDZZHXCMTCH-CZUORRHYSA-N 2 0 282.391 1.229 20 30 CDEDRP [NH2+]=C(N[C@H]1CCNC2(C[NH2+]C2)C1)c1ccc2ccccc2n1 ZINC001246308609 948097965 /nfs/dbraw/zinc/09/79/65/948097965.db2.gz RGUJSLWPZQDXFY-ZDUSSCGKSA-N 2 0 295.390 1.034 20 30 CDEDRP C[N@H+](CCC#N)C1CCC([NH+]2CCOCC2)CC1 ZINC001256689120 948397956 /nfs/dbraw/zinc/39/79/56/948397956.db2.gz POPWADJBWMTADG-UHFFFAOYSA-N 2 0 251.374 1.475 20 30 CDEDRP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246763602 948427285 /nfs/dbraw/zinc/42/72/85/948427285.db2.gz BWWKOWFOYPMMDA-HZPDHXFCSA-N 2 0 280.412 1.565 20 30 CDEDRP C=CCOC1CCC([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CC1 ZINC001246858355 948485997 /nfs/dbraw/zinc/48/59/97/948485997.db2.gz FYQZOGOQHSANLO-RWCNBJKUSA-N 2 0 280.412 1.406 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CCN([C@@H]2CCC[NH2+]C2)CC1 ZINC001246951122 948535733 /nfs/dbraw/zinc/53/57/33/948535733.db2.gz XQZBAIWCTCSEFX-QGZVFWFLSA-N 2 0 292.471 1.030 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]CCC[N@@H+](C)CCCC ZINC001252482301 951343598 /nfs/dbraw/zinc/34/35/98/951343598.db2.gz KOSAJQRBBRIPKO-AWEZNQCLSA-N 2 0 258.406 1.262 20 30 CDEDRP C=C[C@](C)(O)C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001252555060 951447242 /nfs/dbraw/zinc/44/72/42/951447242.db2.gz OLDOJRMTUTZCBM-BZSNNMDCSA-N 2 0 286.419 1.987 20 30 CDEDRP C=C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001253581050 951972064 /nfs/dbraw/zinc/97/20/64/951972064.db2.gz GDSVCHLEHDEPAQ-HUUCEWRRSA-N 2 0 252.402 1.874 20 30 CDEDRP C=C[C@H](COC)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001324700310 953529663 /nfs/dbraw/zinc/52/96/63/953529663.db2.gz IDGZULXWUCAEBC-CYBMUJFWSA-N 2 0 261.369 1.841 20 30 CDEDRP C=C(Cl)CN(C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001424273849 957182861 /nfs/dbraw/zinc/18/28/61/957182861.db2.gz JAWWENWXDGXKSL-ZDUSSCGKSA-N 2 0 287.835 1.613 20 30 CDEDRP C#CCN(CC(=O)NC1CC[NH+](C(C)C)CC1)CC1CC1 ZINC001320134555 958959717 /nfs/dbraw/zinc/95/97/17/958959717.db2.gz DTLYXAZFOZPKMI-UHFFFAOYSA-N 2 0 291.439 1.321 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N(C)[C@H](C)C[NH3+] ZINC001335263543 959670892 /nfs/dbraw/zinc/67/08/92/959670892.db2.gz IRDOQQZVBFDFTN-CHWSQXEVSA-N 2 0 257.422 1.870 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H](CC)[NH+](C)C ZINC001419269394 961569227 /nfs/dbraw/zinc/56/92/27/961569227.db2.gz VAQJRSPSDAGMFZ-RYUDHWBXSA-N 2 0 275.824 1.564 20 30 CDEDRP C[N@@H+]1CCC[C@@H]1CNC(NC(C)(C)C)=[NH+]C[C@H]1CCOC1 ZINC001338384695 961773066 /nfs/dbraw/zinc/77/30/66/961773066.db2.gz VDXPKIQGJYBUIC-ZIAGYGMSSA-N 2 0 296.459 1.451 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC001340312120 962884152 /nfs/dbraw/zinc/88/41/52/962884152.db2.gz MAYIZURVVVLHSX-CHWSQXEVSA-N 2 0 253.390 1.318 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001340788076 963128236 /nfs/dbraw/zinc/12/82/36/963128236.db2.gz CLZLTSHHZLOUDI-CQSZACIVSA-N 2 0 265.401 1.413 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC001340853547 963155935 /nfs/dbraw/zinc/15/59/35/963155935.db2.gz NKVILBHVFVBVNQ-KBPBESRZSA-N 2 0 267.417 1.661 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001341465140 963426131 /nfs/dbraw/zinc/42/61/31/963426131.db2.gz ZVIJJTKRAVAKNE-ZIAGYGMSSA-N 2 0 285.432 1.169 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC001341778370 963539807 /nfs/dbraw/zinc/53/98/07/963539807.db2.gz QVDOEYSGPSIHNA-CQSZACIVSA-N 2 0 259.353 1.912 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001343085093 963902255 /nfs/dbraw/zinc/90/22/55/963902255.db2.gz KRMJZFKVKMUXRD-CHWSQXEVSA-N 2 0 253.390 1.318 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001825160 967309355 /nfs/dbraw/zinc/30/93/55/967309355.db2.gz JJMPOPFRJVFACD-GDBMZVCRSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCNC(=[NH2+])NC[C@H](C(CC)CC)N1CCOCC1 ZINC000848983879 969378750 /nfs/dbraw/zinc/37/87/50/969378750.db2.gz NXRXQSJLFCUZQW-CQSZACIVSA-N 2 0 282.432 1.423 20 30 CDEDRP C[C@@H]1CCC[N@H+](CCCCNC2=[NH+]CCCN2C)C1 ZINC000848990089 969385138 /nfs/dbraw/zinc/38/51/38/969385138.db2.gz YAPSIWDSSKVYPJ-CQSZACIVSA-N 2 0 266.433 1.780 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000848996087 969388585 /nfs/dbraw/zinc/38/85/85/969388585.db2.gz CGKQJWUWXAOQAU-ZDUSSCGKSA-N 2 0 278.400 1.675 20 30 CDEDRP C[NH+]=C(NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)NC1CC1 ZINC000848997170 969390292 /nfs/dbraw/zinc/39/02/92/969390292.db2.gz DPTZGFUUIAVTLI-GFCCVEGCSA-N 2 0 266.433 1.824 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132280240 1163222370 /nfs/dbraw/zinc/22/23/70/1163222370.db2.gz DFALQWHGVOPQOP-UHFFFAOYSA-N 2 0 273.808 1.319 20 30 CDEDRP C=CCOCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132277402 1163225541 /nfs/dbraw/zinc/22/55/41/1163225541.db2.gz GRYAERREPOCHIJ-HUUCEWRRSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001133181876 1163597579 /nfs/dbraw/zinc/59/75/79/1163597579.db2.gz KEXKYOXAUIAEGK-JKSUJKDBSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)CCCCCC[NH3+])CC1 ZINC001574674148 1170998121 /nfs/dbraw/zinc/99/81/21/1170998121.db2.gz VWLZKHUGEYNQDU-UHFFFAOYSA-N 2 0 279.428 1.309 20 30 CDEDRP CC#CC[C@H]([NH3+])C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC001574972749 1171070473 /nfs/dbraw/zinc/07/04/73/1171070473.db2.gz PMEVALMXQAAPLZ-UONOGXRCSA-N 2 0 291.395 1.519 20 30 CDEDRP C[C@H](CCC#N)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000590592859 342578619 /nfs/dbraw/zinc/57/86/19/342578619.db2.gz AKXNAEGINQSNNW-CQSZACIVSA-N 2 0 267.417 1.705 20 30 CDEDRP C=CCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000439075102 361792889 /nfs/dbraw/zinc/79/28/89/361792889.db2.gz ZOLHLXBYYFLYCO-LSDHHAIUSA-N 2 0 252.402 1.778 20 30 CDEDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@H](C#N)CCC#N)C2)CC1 ZINC000591736729 342645003 /nfs/dbraw/zinc/64/50/03/342645003.db2.gz KLUCYJFKACIUNH-LSDHHAIUSA-N 2 0 289.427 1.188 20 30 CDEDRP N#Cc1cccc(CN2CCC([NH2+]CCC[NH3+])CC2)c1 ZINC000593317027 342787936 /nfs/dbraw/zinc/78/79/36/342787936.db2.gz DXEAMJZWBRKHDG-UHFFFAOYSA-N 2 0 272.396 1.461 20 30 CDEDRP C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)C1C[NH2+]C1 ZINC000593323642 342788469 /nfs/dbraw/zinc/78/84/69/342788469.db2.gz RZYYQLXWNWCJHX-AWEZNQCLSA-N 2 0 298.434 1.720 20 30 CDEDRP C[NH+]=C(NCc1ccsc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083803846 342377817 /nfs/dbraw/zinc/37/78/17/342377817.db2.gz IRJIABRKUCCVAQ-LBPRGKRZSA-N 2 0 292.452 1.897 20 30 CDEDRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)CC(C)(C)C#N)CC[C@@H]21 ZINC000598592616 343838967 /nfs/dbraw/zinc/83/89/67/343838967.db2.gz KEYMRJNGJOLVFT-ILXRZTDVSA-N 2 0 279.428 1.703 20 30 CDEDRP CCN1CCC([N@H+](C)C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598596550 343841034 /nfs/dbraw/zinc/84/10/34/343841034.db2.gz SRWPKHGQASNXGD-AWEZNQCLSA-N 2 0 267.417 1.703 20 30 CDEDRP C[C@H](CCC#N)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000602485268 344449222 /nfs/dbraw/zinc/44/92/22/344449222.db2.gz WZQNLSLFCDBESX-IXDOHACOSA-N 2 0 292.471 1.884 20 30 CDEDRP C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N1CCc2ccccc21 ZINC000263268474 362413933 /nfs/dbraw/zinc/41/39/33/362413933.db2.gz VZARKYGGUSCDOD-CQSZACIVSA-N 2 0 272.396 1.719 20 30 CDEDRP CC1(C#N)CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000449093279 362623087 /nfs/dbraw/zinc/62/30/87/362623087.db2.gz OJMIAOAXLARYOM-SLTAFYQDSA-N 2 0 265.401 1.505 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C)[NH2+]CCC)CC1 ZINC000449123118 362625850 /nfs/dbraw/zinc/62/58/50/362625850.db2.gz MQKTUIVVCMKXEX-LBPRGKRZSA-N 2 0 253.390 1.141 20 30 CDEDRP C[C@@H]([NH2+]C1CCN(CC#N)CC1)C1CC[NH+](C)CC1 ZINC000610813613 346444600 /nfs/dbraw/zinc/44/46/00/346444600.db2.gz MNMADWNPWOOKDW-CYBMUJFWSA-N 2 0 264.417 1.294 20 30 CDEDRP CCCNC(=[NH2+])NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264092747 362965743 /nfs/dbraw/zinc/96/57/43/362965743.db2.gz LJCZIZVKOTUNSN-MRXNPFEDSA-N 2 0 288.439 1.865 20 30 CDEDRP CN(C[C@H](O)C[NH2+]CC1CCC(C#N)CC1)C1CC1 ZINC000569962042 363252722 /nfs/dbraw/zinc/25/27/22/363252722.db2.gz OJBQOLVJMDRJNC-SSDMNJCBSA-N 2 0 265.401 1.361 20 30 CDEDRP C=CCN(CC=C)C(=O)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000277318891 359561510 /nfs/dbraw/zinc/56/15/10/359561510.db2.gz VAIPXUPJZXOCMI-HNNXBMFYSA-N 2 0 279.428 1.603 20 30 CDEDRP C=CC1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433127905 361212131 /nfs/dbraw/zinc/21/21/31/361212131.db2.gz JWFXEWVOFLDDPK-UHFFFAOYSA-N 2 0 279.428 1.614 20 30 CDEDRP COc1ccccc1CNC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1 ZINC000170905382 365158657 /nfs/dbraw/zinc/15/86/57/365158657.db2.gz JZCGHQLSENGTPQ-LBPRGKRZSA-N 2 0 276.384 1.051 20 30 CDEDRP CN(C)C(=[NH2+])NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000170906546 365159866 /nfs/dbraw/zinc/15/98/66/365159866.db2.gz DKXXKEAVCLVTEU-AWEZNQCLSA-N 2 0 260.385 1.700 20 30 CDEDRP C=CCCCC[C@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000579220589 372554938 /nfs/dbraw/zinc/55/49/38/372554938.db2.gz JSYNQJIUFYWIDM-ZDUSSCGKSA-N 2 0 253.390 1.143 20 30 CDEDRP Cn1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1C#N ZINC000282258280 375075225 /nfs/dbraw/zinc/07/52/25/375075225.db2.gz GXVWACJPQUPXLJ-UHFFFAOYSA-N 2 0 289.427 1.012 20 30 CDEDRP COCCNC(=[NH2+])NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195165090 375991187 /nfs/dbraw/zinc/99/11/87/375991187.db2.gz NVZSAQGSBGIUOD-HNNXBMFYSA-N 2 0 290.411 1.059 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000343760280 378959469 /nfs/dbraw/zinc/95/94/69/378959469.db2.gz AGDUEYKKFBFMHR-UKRRQHHQSA-N 2 0 294.443 1.419 20 30 CDEDRP C=CCC[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001663204988 1172655962 /nfs/dbraw/zinc/65/59/62/1172655962.db2.gz BEHYHSLEEWPTLR-ZDUSSCGKSA-N 2 0 255.406 1.197 20 30 CDEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976126 391373317 /nfs/dbraw/zinc/37/33/17/391373317.db2.gz KKHOCVCZNHQUJP-KKUMJFAQSA-N 2 0 279.428 1.389 20 30 CDEDRP Cn1cc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1C#N ZINC000361509373 392759692 /nfs/dbraw/zinc/75/96/92/392759692.db2.gz UQCMZHNYVSJNPY-UHFFFAOYSA-N 2 0 260.385 1.670 20 30 CDEDRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1C#N ZINC000261573611 140351910 /nfs/dbraw/zinc/35/19/10/140351910.db2.gz VSWKCAGDGYQUCM-YPMHNXCESA-N 2 0 259.353 1.736 20 30 CDEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290784 414617516 /nfs/dbraw/zinc/61/75/16/414617516.db2.gz KKRJTRHPGLTKHN-DZGCQCFKSA-N 2 0 279.428 1.389 20 30 CDEDRP CC[C@H](C)NC(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1 ZINC000134476084 260913231 /nfs/dbraw/zinc/91/32/31/260913231.db2.gz MBLDCOHTAZMANP-LBPRGKRZSA-N 2 0 293.415 1.225 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])C(C)C ZINC000249115368 261246523 /nfs/dbraw/zinc/24/65/23/261246523.db2.gz WHGGREOOTNEVHQ-QLFBSQMISA-N 2 0 281.444 1.785 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000491023494 261300511 /nfs/dbraw/zinc/30/05/11/261300511.db2.gz YAMKOPAZABZVQE-UHFFFAOYSA-N 2 0 291.439 1.276 20 30 CDEDRP CC#CCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000364534352 262253661 /nfs/dbraw/zinc/25/36/61/262253661.db2.gz RNRLSPGQPNFOOP-UHFFFAOYSA-N 2 0 277.456 1.749 20 30 CDEDRP CN1CC[NH+]=C1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000262687735 262783886 /nfs/dbraw/zinc/78/38/86/262783886.db2.gz ZAYDPDKZMYTDHD-ZDUSSCGKSA-N 2 0 292.452 1.851 20 30 CDEDRP C[NH+]=C(NC[C@@H](C)SC)N1CCN(CC(C)C)CC1 ZINC000121586463 263297409 /nfs/dbraw/zinc/29/74/09/263297409.db2.gz KAXIYTYNIWISMW-CYBMUJFWSA-N 2 0 286.489 1.587 20 30 CDEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N1CCSC(C)(C)C1 ZINC000126638168 264217220 /nfs/dbraw/zinc/21/72/20/264217220.db2.gz JSKCWIPGJSEPIA-GFCCVEGCSA-N 2 0 284.473 1.341 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)C(C)C ZINC000236686111 277851960 /nfs/dbraw/zinc/85/19/60/277851960.db2.gz ZZEXFEMZGXEPJL-WBVHZDCISA-N 2 0 293.455 1.801 20 30 CDEDRP CCCNC(=[NH2+])NC[C@@H](c1cccc(F)c1)N(C)C ZINC000264148306 328157894 /nfs/dbraw/zinc/15/78/94/328157894.db2.gz YMAHFSKJMCOYRE-ZDUSSCGKSA-N 2 0 266.364 1.743 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000264149445 328157914 /nfs/dbraw/zinc/15/79/14/328157914.db2.gz YTEVAYYEUZVSSX-HNNXBMFYSA-N 2 0 290.411 1.778 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1c(C)noc1C ZINC000267398076 328178178 /nfs/dbraw/zinc/17/81/78/328178178.db2.gz FIPRLGWLZDVXJF-CYBMUJFWSA-N 2 0 293.415 1.223 20 30 CDEDRP CC[NH+]=C(NCC[NH+]1CCCC1)N1CCS[C@H](CC)C1 ZINC000179126612 329205430 /nfs/dbraw/zinc/20/54/30/329205430.db2.gz DKLPPOFRHOLCTO-CQSZACIVSA-N 2 0 298.500 1.875 20 30 CDEDRP C[C@@H](CC[NH2+]C[C@@H](O)CN(C)CCC#N)[NH+]1CCCCC1 ZINC000564872960 327062075 /nfs/dbraw/zinc/06/20/75/327062075.db2.gz JULXGPAGHVHNSE-JKSUJKDBSA-N 2 0 296.459 1.047 20 30 CDEDRP C[C@H](C(=O)NC1(C#N)CC[NH+](C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000558696216 327114495 /nfs/dbraw/zinc/11/44/95/327114495.db2.gz OVICGHNOBHHFGS-MGPQQGTHSA-N 2 0 292.427 1.352 20 30 CDEDRP C[N@H+](CCCSCC#N)CCCN1CC[NH+](C)CC1 ZINC000119676749 327247170 /nfs/dbraw/zinc/24/71/70/327247170.db2.gz UDLWKECPXQQTBD-UHFFFAOYSA-N 2 0 284.473 1.203 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCSC1 ZINC000262328327 330006325 /nfs/dbraw/zinc/00/63/25/330006325.db2.gz URDHTDNLSQCNDJ-STQMWFEESA-N 2 0 284.473 1.518 20 30 CDEDRP CC(C)(C)[NH2+]CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000262509990 330018735 /nfs/dbraw/zinc/01/87/35/330018735.db2.gz CTJBBTIUGQEOEY-CYBMUJFWSA-N 2 0 290.411 1.803 20 30 CDEDRP CN(C)C(=[NH+]C[C@H]1CCCC[N@@H+]1C1CC1)N(C)C ZINC000262741697 330028907 /nfs/dbraw/zinc/02/89/07/330028907.db2.gz JCMYISUPNDARQW-CYBMUJFWSA-N 2 0 252.406 1.483 20 30 CDEDRP C=CCN(CC=C)C(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424286003 330334125 /nfs/dbraw/zinc/33/41/25/330334125.db2.gz GQIZENYZDTUMDZ-HNNXBMFYSA-N 2 0 291.439 1.651 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001022974776 1159192514 /nfs/dbraw/zinc/19/25/14/1159192514.db2.gz BQMMUBSPLPATSO-CAOSSQGBSA-N 2 0 293.455 1.920 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000491691422 332288061 /nfs/dbraw/zinc/28/80/61/332288061.db2.gz GESFLFNKTNUZCV-UHFFFAOYSA-N 2 0 294.443 1.115 20 30 CDEDRP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001023367148 1159249832 /nfs/dbraw/zinc/24/98/32/1159249832.db2.gz WIOAFZRYFLLQKU-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024759835 1159431805 /nfs/dbraw/zinc/43/18/05/1159431805.db2.gz LGPJONJMVYBFDE-HNNXBMFYSA-N 2 0 291.439 1.629 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482058407 1159970623 /nfs/dbraw/zinc/97/06/23/1159970623.db2.gz BYSLPLZKTMEVLQ-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000236706780 482601947 /nfs/dbraw/zinc/60/19/47/482601947.db2.gz UNQADRPHFWHWMW-CYBMUJFWSA-N 2 0 253.390 1.126 20 30 CDEDRP C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001080779005 1161568335 /nfs/dbraw/zinc/56/83/35/1161568335.db2.gz DVNNDKRPHPWPDG-KWCYVHTRSA-N 2 0 299.846 1.517 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000740738199 576512932 /nfs/dbraw/zinc/51/29/32/576512932.db2.gz YMJKDEYSRWZGPS-HNNXBMFYSA-N 2 0 279.428 1.177 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000763971854 576769484 /nfs/dbraw/zinc/76/94/84/576769484.db2.gz KWOKDESNBHKXDW-HNNXBMFYSA-N 2 0 293.386 1.662 20 30 CDEDRP C[C@@H]1CC(=Nn2cc(Br)cn2)CC[N@@H+]1C ZINC000752746685 577122986 /nfs/dbraw/zinc/12/29/86/577122986.db2.gz SWWJBHHXXQHDEP-MRVPVSSYSA-N 2 0 271.162 1.964 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000980477607 613080113 /nfs/dbraw/zinc/08/01/13/613080113.db2.gz HWUSXWDFZVPKRB-OAHLLOKOSA-N 2 0 277.412 1.028 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000971844820 613083138 /nfs/dbraw/zinc/08/31/38/613083138.db2.gz RVDXVJPHBASSBI-CVEARBPZSA-N 2 0 291.439 1.273 20 30 CDEDRP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000948240485 613178266 /nfs/dbraw/zinc/17/82/66/613178266.db2.gz GMVCGDAAVABFAJ-GJZGRUSLSA-N 2 0 277.412 1.027 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944917948 613266235 /nfs/dbraw/zinc/26/62/35/613266235.db2.gz FWCSFNSGHQJFPC-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000970050339 613298672 /nfs/dbraw/zinc/29/86/72/613298672.db2.gz MGLCXBMPZVFLRY-CQSZACIVSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000981960903 613310166 /nfs/dbraw/zinc/31/01/66/613310166.db2.gz ZUCQPEAAFBMCPD-LSDHHAIUSA-N 2 0 279.428 1.295 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971554094 613617775 /nfs/dbraw/zinc/61/77/75/613617775.db2.gz YMZMTWHXTGKHQT-CABCVRRESA-N 2 0 277.412 1.047 20 30 CDEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000969832855 613663259 /nfs/dbraw/zinc/66/32/59/613663259.db2.gz JXIBWALWJVWDQP-CABCVRRESA-N 2 0 293.455 1.587 20 30 CDEDRP C=CC[N@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000981872549 613688633 /nfs/dbraw/zinc/68/86/33/613688633.db2.gz NERXXBPLRPPWFZ-UHFFFAOYSA-N 2 0 265.401 1.049 20 30 CDEDRP C=CC[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000981152309 613695670 /nfs/dbraw/zinc/69/56/70/613695670.db2.gz HHAFJWNUCALFJL-HOTGVXAUSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944152213 613741191 /nfs/dbraw/zinc/74/11/91/613741191.db2.gz CCGFFGRRWSUSDF-ZIAGYGMSSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000968850700 613864764 /nfs/dbraw/zinc/86/47/64/613864764.db2.gz FGMCNHDYQMCXFS-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000969954947 613865601 /nfs/dbraw/zinc/86/56/01/613865601.db2.gz IJVIBRWCKDZQLT-CJNGLKHVSA-N 2 0 297.418 1.575 20 30 CDEDRP C#C[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCCO1 ZINC000800375109 618407237 /nfs/dbraw/zinc/40/72/37/618407237.db2.gz XUZGHUJVURROMO-SJORKVTESA-N 2 0 293.455 1.173 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894863818 619107503 /nfs/dbraw/zinc/10/75/03/619107503.db2.gz VMHYCRRSPUHYRU-UHFFFAOYSA-N 2 0 276.380 1.754 20 30 CDEDRP C[C@H]1[C@@H]([NH3+])CCCN1c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001157731913 1162360164 /nfs/dbraw/zinc/36/01/64/1162360164.db2.gz GLZFKZWCTPJTKB-NHYWBVRUSA-N 2 0 285.395 1.305 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207684430 1159935665 /nfs/dbraw/zinc/93/56/65/1159935665.db2.gz NZKJVYMLUNEGDZ-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000990276902 1160720036 /nfs/dbraw/zinc/72/00/36/1160720036.db2.gz KUFQGYMALIDVQA-AWEZNQCLSA-N 2 0 265.401 1.237 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133090378 1163568040 /nfs/dbraw/zinc/56/80/40/1163568040.db2.gz GZVUHKJNLLJXBK-LSDHHAIUSA-N 2 0 279.428 1.036 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001133274888 1163622913 /nfs/dbraw/zinc/62/29/13/1163622913.db2.gz ODIVTFCLUOYXLT-CVEARBPZSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCC[C@H](O)C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001252619362 1164707080 /nfs/dbraw/zinc/70/70/80/1164707080.db2.gz LYVGGUDPJILKHC-KRWDZBQOSA-N 2 0 296.455 1.794 20 30 CDEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])N1CCCCCC1 ZINC000126108860 1165895702 /nfs/dbraw/zinc/89/57/02/1165895702.db2.gz HAJLHECVTKYARY-CQSZACIVSA-N 2 0 284.448 1.534 20 30 CDEDRP C#CC[C@]1(C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCC[NH2+]1 ZINC001574526028 1170991958 /nfs/dbraw/zinc/99/19/58/1170991958.db2.gz XCQXJIGQGZJGNH-GOSISDBHSA-N 2 0 299.418 1.875 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001752939023 1184971547 /nfs/dbraw/zinc/97/15/47/1184971547.db2.gz OHHLSNIQCWQILX-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@@H+](CCNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001753161686 1185094563 /nfs/dbraw/zinc/09/45/63/1185094563.db2.gz KERHXIOZSXWWGN-UHFFFAOYSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001753283756 1185141483 /nfs/dbraw/zinc/14/14/83/1185141483.db2.gz YSWYRBDJPGTRCX-CQSZACIVSA-N 2 0 279.428 1.177 20 30 CDEDRP C#CC[NH2+][C@@H](CC)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001753492364 1185235458 /nfs/dbraw/zinc/23/54/58/1185235458.db2.gz MMIDZNMVZMUORK-HNNXBMFYSA-N 2 0 279.428 1.224 20 30 CDEDRP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001753734667 1185322308 /nfs/dbraw/zinc/32/23/08/1185322308.db2.gz GQKVSGXUPYLOOA-HOTGVXAUSA-N 2 0 291.439 1.082 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001754500152 1185646856 /nfs/dbraw/zinc/64/68/56/1185646856.db2.gz LHBBBALTTCEOCP-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001754730035 1185716079 /nfs/dbraw/zinc/71/60/79/1185716079.db2.gz BSLATDSNKZESSF-RDJZCZTQSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001755024765 1185788860 /nfs/dbraw/zinc/78/88/60/1185788860.db2.gz IDVGIQGXKRNNTA-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001755526189 1185980033 /nfs/dbraw/zinc/98/00/33/1185980033.db2.gz BWCXLLJHHWIFPU-JKSUJKDBSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001027547959 783879108 /nfs/dbraw/zinc/87/91/08/783879108.db2.gz YWOAWDPOIZGIFV-JYJNAYRXSA-N 2 0 293.455 1.826 20 30 CDEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001034642220 784127300 /nfs/dbraw/zinc/12/73/00/784127300.db2.gz CHBMTEMIRHFZEU-BZUAXINKSA-N 2 0 291.439 1.509 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001019380520 784338823 /nfs/dbraw/zinc/33/88/23/784338823.db2.gz CDKTVRHBFSAUTN-OLZOCXBDSA-N 2 0 285.819 1.414 20 30 CDEDRP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001009717753 784786523 /nfs/dbraw/zinc/78/65/23/784786523.db2.gz PJNPNDUDYOAEEG-CQSZACIVSA-N 2 0 276.384 1.430 20 30 CDEDRP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001023554823 784826899 /nfs/dbraw/zinc/82/68/99/784826899.db2.gz QKWZZGKWSADQSY-XHSDSOJGSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000996688204 784861666 /nfs/dbraw/zinc/86/16/66/784861666.db2.gz LEZZXGLWIQEKNY-AWEZNQCLSA-N 2 0 267.417 1.339 20 30 CDEDRP CC(C)CNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000261993871 784863862 /nfs/dbraw/zinc/86/38/62/784863862.db2.gz NDTNVBDGYOMQGZ-CHWSQXEVSA-N 2 0 254.422 1.667 20 30 CDEDRP CC(C)[NH+]1CCC(CCNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000877200604 784897853 /nfs/dbraw/zinc/89/78/53/784897853.db2.gz MQOZWLBECFWLJX-OAHLLOKOSA-N 2 0 294.443 1.634 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000804523218 784899218 /nfs/dbraw/zinc/89/92/18/784899218.db2.gz MXQRMLXVGUGDHX-KGLIPLIRSA-N 2 0 265.401 1.189 20 30 CDEDRP CC[C@@H](C)NC(=[NH2+])NCC1(C[NH+](C)C)CCCC1 ZINC000305818591 784908354 /nfs/dbraw/zinc/90/83/54/784908354.db2.gz NMDJFYQCGYZEKJ-GFCCVEGCSA-N 2 0 254.422 1.811 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001020171063 785018312 /nfs/dbraw/zinc/01/83/12/785018312.db2.gz LEALYLLVTCCGQC-AAVRWANBSA-N 2 0 265.401 1.140 20 30 CDEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001043882437 785051591 /nfs/dbraw/zinc/05/15/91/785051591.db2.gz QUWLSOCKOZLMGG-DZGCQCFKSA-N 2 0 279.428 1.293 20 30 CDEDRP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000304756088 785823826 /nfs/dbraw/zinc/82/38/26/785823826.db2.gz NKAWGDSPBSKHFW-GFCCVEGCSA-N 2 0 276.384 1.764 20 30 CDEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001034796837 785827203 /nfs/dbraw/zinc/82/72/03/785827203.db2.gz PPHFJIJBVCFQKC-KLHDSHLOSA-N 2 0 291.439 1.509 20 30 CDEDRP CC[NH+]1CCC(CCNC(=[NH2+])N(C)C2CC2)CC1 ZINC000305829994 785848805 /nfs/dbraw/zinc/84/88/05/785848805.db2.gz SYYSNGPMJLNLTH-UHFFFAOYSA-N 2 0 252.406 1.517 20 30 CDEDRP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024442791 785881800 /nfs/dbraw/zinc/88/18/00/785881800.db2.gz YEJDBCOGYOGDKO-HOTGVXAUSA-N 2 0 291.439 1.485 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000303905516 785887134 /nfs/dbraw/zinc/88/71/34/785887134.db2.gz ZMGQMYVCYGQFTP-KCQAQPDRSA-N 2 0 284.448 1.436 20 30 CDEDRP CCCCNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000303789936 785899835 /nfs/dbraw/zinc/89/98/35/785899835.db2.gz VXEDHPNNWVELBQ-CYBMUJFWSA-N 2 0 254.422 1.811 20 30 CDEDRP C=CCNC(=[NH2+])NCCC[N@@H+](C)C1CCCCC1 ZINC000848987907 785937409 /nfs/dbraw/zinc/93/74/09/785937409.db2.gz NUHBBZXKRLLWSN-UHFFFAOYSA-N 2 0 252.406 1.941 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001009198804 785981621 /nfs/dbraw/zinc/98/16/21/785981621.db2.gz CXXMFBRBFKJEIN-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CCC(Nc2ccccn2)CC1 ZINC000927083457 786002195 /nfs/dbraw/zinc/00/21/95/786002195.db2.gz LESNWCUFATYAHD-UHFFFAOYSA-N 2 0 288.395 1.602 20 30 CDEDRP C=CC[NH2+]C1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001026494761 786276192 /nfs/dbraw/zinc/27/61/92/786276192.db2.gz FQHRNQLZZMBHJJ-GPANFISMSA-N 2 0 291.439 1.531 20 30 CDEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995805152 786305128 /nfs/dbraw/zinc/30/51/28/786305128.db2.gz SVPIEWGIQOSZIA-GJZGRUSLSA-N 2 0 291.439 1.319 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001026420841 786326506 /nfs/dbraw/zinc/32/65/06/786326506.db2.gz LYAGDJDBHQALAY-HRCADAONSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028548434 786326626 /nfs/dbraw/zinc/32/66/26/786326626.db2.gz AJZIRVPEVKAYDW-QLFBSQMISA-N 2 0 279.428 1.341 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCO[C@@H](C)C1 ZINC000261999265 786376894 /nfs/dbraw/zinc/37/68/94/786376894.db2.gz PARVPVRQSXGELU-MELADBBJSA-N 2 0 282.432 1.190 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001022808222 786635923 /nfs/dbraw/zinc/63/59/23/786635923.db2.gz RHFADMKOLJEBQZ-QLFBSQMISA-N 2 0 279.428 1.672 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025598140 786691943 /nfs/dbraw/zinc/69/19/43/786691943.db2.gz VBVSIWXFHQSVTI-HUUCEWRRSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052933765 786709203 /nfs/dbraw/zinc/70/92/03/786709203.db2.gz FGFYUNAKUOWXFA-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP CNC(N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)=[NH+]C ZINC000261729388 786721276 /nfs/dbraw/zinc/72/12/76/786721276.db2.gz HBVRRLQKOOKLSO-GXTWGEPZSA-N 2 0 260.385 1.617 20 30 CDEDRP C[C@@H](C#N)OCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878748460 786843143 /nfs/dbraw/zinc/84/31/43/786843143.db2.gz VNRFSZONFHAGQC-AWEZNQCLSA-N 2 0 274.368 1.522 20 30 CDEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000995928409 786858545 /nfs/dbraw/zinc/85/85/45/786858545.db2.gz TZAOCXLUOMFECY-KBPBESRZSA-N 2 0 279.428 1.032 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001042314648 786865209 /nfs/dbraw/zinc/86/52/09/786865209.db2.gz UKHFPLZHGLIKDT-LSDHHAIUSA-N 2 0 289.423 1.191 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NCCC[N@@H+]1CCCC[C@H]1C ZINC000303781028 786881971 /nfs/dbraw/zinc/88/19/71/786881971.db2.gz LXWVXLXPSOCATI-CHWSQXEVSA-N 2 0 270.421 1.190 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@H](C)C[NH+]1CCCC1 ZINC000303900263 787025409 /nfs/dbraw/zinc/02/54/09/787025409.db2.gz WRJYXWZJHALVKH-ZDUSSCGKSA-N 2 0 270.421 1.049 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000985652264 787081523 /nfs/dbraw/zinc/08/15/23/787081523.db2.gz DQWHASAEVBVYCR-AWEZNQCLSA-N 2 0 267.417 1.435 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001015795050 787084570 /nfs/dbraw/zinc/08/45/70/787084570.db2.gz KXANSNMTIVEWKF-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001022076973 787362915 /nfs/dbraw/zinc/36/29/15/787362915.db2.gz GYMLJQNWPDLDQW-LVQVYYBASA-N 2 0 291.439 1.674 20 30 CDEDRP C#CCN(C)CCC[NH2+][C@@H](COC)Cc1ccccc1 ZINC000815651776 787531916 /nfs/dbraw/zinc/53/19/16/787531916.db2.gz CKIGMEMZHWCLDG-QGZVFWFLSA-N 2 0 274.408 1.789 20 30 CDEDRP CCCNC(N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)=[NH+]CC ZINC000261980771 787733137 /nfs/dbraw/zinc/73/31/37/787733137.db2.gz OVRDKYFVIQWMFU-DGCLKSJQSA-N 2 0 252.406 1.434 20 30 CDEDRP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001026497033 787788426 /nfs/dbraw/zinc/78/84/26/787788426.db2.gz IDZUPXLYFBYGPT-SSHXOBKSSA-N 2 0 291.439 1.367 20 30 CDEDRP C#CC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034394214 787823010 /nfs/dbraw/zinc/82/30/10/787823010.db2.gz KBPAVUUIOSWMLH-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001023403282 787834422 /nfs/dbraw/zinc/83/44/22/787834422.db2.gz IMEXKDZLJJYXTL-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000987552069 787840934 /nfs/dbraw/zinc/84/09/34/787840934.db2.gz QFNIWRGSJRIHBS-YOEHRIQHSA-N 2 0 299.418 1.574 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995805157 787856869 /nfs/dbraw/zinc/85/68/69/787856869.db2.gz SVPIEWGIQOSZIA-LSDHHAIUSA-N 2 0 291.439 1.319 20 30 CDEDRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)CC3(C#N)CCC3)C2)C1 ZINC000886218355 787869538 /nfs/dbraw/zinc/86/95/38/787869538.db2.gz TTXGIAHHKCACER-RDJZCZTQSA-N 2 0 291.439 1.849 20 30 CDEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001031776828 787879274 /nfs/dbraw/zinc/87/92/74/787879274.db2.gz PHOGVVIQQUPDLQ-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001050118483 787887660 /nfs/dbraw/zinc/88/76/60/787887660.db2.gz CRFVVKHRACUIER-HRCADAONSA-N 2 0 291.439 1.580 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1CCCC[N@@H+]1CC)N1CCC(O)CC1 ZINC000086834834 787891362 /nfs/dbraw/zinc/89/13/62/787891362.db2.gz PXRSVANBOCLUPO-AWEZNQCLSA-N 2 0 296.459 1.283 20 30 CDEDRP C[NH+](C)CC1(O)CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000931481247 788051760 /nfs/dbraw/zinc/05/17/60/788051760.db2.gz ODGYXKGYSPKXLB-UHFFFAOYSA-N 2 0 287.407 1.489 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001019466092 788093326 /nfs/dbraw/zinc/09/33/26/788093326.db2.gz QNJQFZRRAAZQFW-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001020926608 788267306 /nfs/dbraw/zinc/26/73/06/788267306.db2.gz GLWJKHRQBRRVIV-KBUPBQIOSA-N 2 0 279.428 1.530 20 30 CDEDRP NC(=[NH2+])N=NC1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000834939266 788595444 /nfs/dbraw/zinc/59/54/44/788595444.db2.gz WSOKGVFGTQDKNV-UKRRQHHQSA-N 2 0 285.395 1.900 20 30 CDEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997865536 788764134 /nfs/dbraw/zinc/76/41/34/788764134.db2.gz FLXUTBFQAILNTR-HOCLYGCPSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996518216 788769200 /nfs/dbraw/zinc/76/92/00/788769200.db2.gz IJNPEABJHJGYGY-ZIAGYGMSSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000261975383 788809046 /nfs/dbraw/zinc/80/90/46/788809046.db2.gz FSCXXZAXOBTTGV-HIFRSBDPSA-N 2 0 266.433 1.977 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000999347331 788814638 /nfs/dbraw/zinc/81/46/38/788814638.db2.gz JFZRIVPEPFKKKR-HZPDHXFCSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050754234 788844064 /nfs/dbraw/zinc/84/40/64/788844064.db2.gz SAPJGJVRSJRJFM-AWEZNQCLSA-N 2 0 277.412 1.049 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052393353 788865880 /nfs/dbraw/zinc/86/58/80/788865880.db2.gz HJJIDXFUMDSTJN-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000261763786 788896410 /nfs/dbraw/zinc/89/64/10/788896410.db2.gz LTPVCAVFQHBZRR-ZIAGYGMSSA-N 2 0 296.459 1.580 20 30 CDEDRP C[NH+]=C(NCC1CC1)NCC1([NH+](C)C)CCCC1 ZINC000080528714 789172151 /nfs/dbraw/zinc/17/21/51/789172151.db2.gz MLRWBXAEXSMJOV-UHFFFAOYSA-N 2 0 252.406 1.436 20 30 CDEDRP C[C@@H](CNC(=[NH2+])N1CCCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000303909327 789192591 /nfs/dbraw/zinc/19/25/91/789192591.db2.gz YCRIRHOAMQSAPV-KBPBESRZSA-N 2 0 266.433 1.907 20 30 CDEDRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000923295828 789211653 /nfs/dbraw/zinc/21/16/53/789211653.db2.gz IOAGZDJYGZEANG-HOCLYGCPSA-N 2 0 291.395 1.261 20 30 CDEDRP C#CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@H]12 ZINC000992172810 789364476 /nfs/dbraw/zinc/36/44/76/789364476.db2.gz BAMKQHZVYUKDPZ-HLLBOEOZSA-N 2 0 289.423 1.217 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027477236 789554873 /nfs/dbraw/zinc/55/48/73/789554873.db2.gz DDJFTCZYFDYBDU-OAHLLOKOSA-N 2 0 291.439 1.724 20 30 CDEDRP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049552033 789754402 /nfs/dbraw/zinc/75/44/02/789754402.db2.gz SIWOTVVXVRUFGC-KFWWJZLASA-N 2 0 279.428 1.578 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000855809507 789811761 /nfs/dbraw/zinc/81/17/61/789811761.db2.gz GVLYAYJZBPSJPL-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001052711977 789830895 /nfs/dbraw/zinc/83/08/95/789830895.db2.gz CIDJBEOSIPIQBI-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001014635127 789847620 /nfs/dbraw/zinc/84/76/20/789847620.db2.gz WJCXQKCAYMKGAU-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001752950799 1166985965 /nfs/dbraw/zinc/98/59/65/1166985965.db2.gz BDVSCDRFDQUBCD-HZPDHXFCSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001168425759 912617259 /nfs/dbraw/zinc/61/72/59/912617259.db2.gz UDZOTNVGEGOYML-UHFFFAOYSA-N 2 0 273.380 1.091 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174905441 913393767 /nfs/dbraw/zinc/39/37/67/913393767.db2.gz KNCQABLIMSJGEU-PMPSAXMXSA-N 2 0 293.455 1.615 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208917798 894392581 /nfs/dbraw/zinc/39/25/81/894392581.db2.gz BIRSGYWKHBJBQI-OAHLLOKOSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167635165 897125898 /nfs/dbraw/zinc/12/58/98/897125898.db2.gz KZOFLIKZAFQPTG-HNNXBMFYSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001206273918 914150481 /nfs/dbraw/zinc/15/04/81/914150481.db2.gz DRNPEQMKDQTWCS-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176591545 914172132 /nfs/dbraw/zinc/17/21/32/914172132.db2.gz LVFIPNNDXFEDRR-OAHLLOKOSA-N 2 0 279.428 1.370 20 30 CDEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104622451 898800439 /nfs/dbraw/zinc/80/04/39/898800439.db2.gz XSKRRMQIHBJBBE-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176991781 914419729 /nfs/dbraw/zinc/41/97/29/914419729.db2.gz DQMQRQURKRFLBL-HNNXBMFYSA-N 2 0 297.443 1.159 20 30 CDEDRP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027892702 900951315 /nfs/dbraw/zinc/95/13/15/900951315.db2.gz BCCGDTPFMSNUNL-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP N#CCc1c[nH]c2cccc(NC(=[NH2+])NCCCC[NH3+])c12 ZINC001167881978 901637649 /nfs/dbraw/zinc/63/76/49/901637649.db2.gz OODRTHIODLZUCB-UHFFFAOYSA-N 2 0 284.367 1.909 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089562561 914810657 /nfs/dbraw/zinc/81/06/57/914810657.db2.gz HTVSHEZBKNQKJW-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001106898235 914820922 /nfs/dbraw/zinc/82/09/22/914820922.db2.gz ZQKDNJWXMGYCGM-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP CC[N@H+](CCNC(=[NH+]C)N1CC[C@@]2(CCOC2)C1)C(C)C ZINC000261960359 904617121 /nfs/dbraw/zinc/61/71/21/904617121.db2.gz JZFMLVUVNHRIAP-MRXNPFEDSA-N 2 0 296.459 1.405 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093195721 909683453 /nfs/dbraw/zinc/68/34/53/909683453.db2.gz UVGKPZLWOQQACD-RBSFLKMASA-N 2 0 279.428 1.198 20 30 CDEDRP CC(C)C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)NO ZINC001172115517 911284485 /nfs/dbraw/zinc/28/44/85/911284485.db2.gz XXLFGYHKWDJUBX-CRWXNKLISA-N 2 0 283.416 1.511 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001094937221 911845107 /nfs/dbraw/zinc/84/51/07/911845107.db2.gz IHKYMLQWUVYNCA-LZWOXQAQSA-N 2 0 291.439 1.626 20 30 CDEDRP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001484619722 915958463 /nfs/dbraw/zinc/95/84/63/915958463.db2.gz SQYDBDJKNYXULE-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001179967709 916119804 /nfs/dbraw/zinc/11/98/04/916119804.db2.gz HZLCRWSWMSFPAQ-GJZGRUSLSA-N 2 0 279.428 1.321 20 30 CDEDRP N#C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC001254646503 936431299 /nfs/dbraw/zinc/43/12/99/936431299.db2.gz BAPGPXJKMSKHJJ-VGWMRTNUSA-N 2 0 277.412 1.912 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001182473255 917911136 /nfs/dbraw/zinc/91/11/36/917911136.db2.gz OPTKMDOZPVVNNT-CABCVRRESA-N 2 0 277.412 1.073 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676191 918039166 /nfs/dbraw/zinc/03/91/66/918039166.db2.gz DQSDOHWMFSUTRM-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001183240711 918402365 /nfs/dbraw/zinc/40/23/65/918402365.db2.gz QIBRKJOJXRFJKZ-HZPDHXFCSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576192 918653375 /nfs/dbraw/zinc/65/33/75/918653375.db2.gz APRBERADEWJSMM-HUUCEWRRSA-N 2 0 293.455 1.921 20 30 CDEDRP N#Cc1ccc(CC[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001205209404 918914706 /nfs/dbraw/zinc/91/47/06/918914706.db2.gz JAAHKNOSUMRIHN-MRXNPFEDSA-N 2 0 273.380 1.276 20 30 CDEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001001263872 936549770 /nfs/dbraw/zinc/54/97/70/936549770.db2.gz LWZSNRYWVSQAAP-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001185062104 919385818 /nfs/dbraw/zinc/38/58/18/919385818.db2.gz RFSHUTXPJCGQOK-HOCLYGCPSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000998865750 919637393 /nfs/dbraw/zinc/63/73/93/919637393.db2.gz IAWORNLHPNOPLQ-YMAMQOFZSA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001185683606 919703527 /nfs/dbraw/zinc/70/35/27/919703527.db2.gz YJIWNFMLODBWRF-JKSUJKDBSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CC[N@@H+](C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139258595 936611804 /nfs/dbraw/zinc/61/18/04/936611804.db2.gz UQEOQHPNIKAHPS-UHFFFAOYSA-N 2 0 262.353 1.527 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001186555714 920071987 /nfs/dbraw/zinc/07/19/87/920071987.db2.gz VLJCSQGQWOFWDF-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCn1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cn1 ZINC001139769966 936644776 /nfs/dbraw/zinc/64/47/76/936644776.db2.gz XAEHYGRQMCRDCS-CABCVRRESA-N 2 0 260.385 1.453 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001187034506 920339346 /nfs/dbraw/zinc/33/93/46/920339346.db2.gz HWGOXKIWMKNFFQ-SJORKVTESA-N 2 0 299.418 1.503 20 30 CDEDRP C#CCCC[N@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001273541394 920554400 /nfs/dbraw/zinc/55/44/00/920554400.db2.gz AANYAUYAZGECRS-KRWDZBQOSA-N 2 0 291.439 1.418 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001486120424 920730450 /nfs/dbraw/zinc/73/04/50/920730450.db2.gz ATLIVMYQSISMBU-QWHCGFSZSA-N 2 0 287.835 1.660 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106610 920839161 /nfs/dbraw/zinc/83/91/61/920839161.db2.gz OPPGFVIVEPUMCQ-OAHLLOKOSA-N 2 0 279.428 1.629 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203027222 936705783 /nfs/dbraw/zinc/70/57/83/936705783.db2.gz DAICHZOAPFBKLR-KBPBESRZSA-N 2 0 289.423 1.121 20 30 CDEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190645029 922120796 /nfs/dbraw/zinc/12/07/96/922120796.db2.gz PKGYALFRTSBWKI-AWEZNQCLSA-N 2 0 277.412 1.027 20 30 CDEDRP C=CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001033416566 922204458 /nfs/dbraw/zinc/20/44/58/922204458.db2.gz QHSWRIRHHQBIIF-KBPBESRZSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190949074 922304190 /nfs/dbraw/zinc/30/41/90/922304190.db2.gz XFTNNSLSWPAQTB-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001192550918 923125270 /nfs/dbraw/zinc/12/52/70/923125270.db2.gz LZEKFGCTEUZCII-ZDUSSCGKSA-N 2 0 262.357 1.061 20 30 CDEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194293387 924167288 /nfs/dbraw/zinc/16/72/88/924167288.db2.gz GZBLSXNLNSSERK-CQSZACIVSA-N 2 0 267.417 1.435 20 30 CDEDRP N#Cc1ccc(CN2CCCC[C@](O)(C[NH3+])C2)s1 ZINC001205688928 924486812 /nfs/dbraw/zinc/48/68/12/924486812.db2.gz MCOPGCJNMZTVRV-ZDUSSCGKSA-N 2 0 265.382 1.295 20 30 CDEDRP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001080448838 924562242 /nfs/dbraw/zinc/56/22/42/924562242.db2.gz DDTNUHZQDYGOJJ-RBSFLKMASA-N 2 0 279.428 1.341 20 30 CDEDRP C#CCC[N@H+]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001196024193 924789369 /nfs/dbraw/zinc/78/93/69/924789369.db2.gz FBGUZKLSFPZQDI-OAHLLOKOSA-N 2 0 297.418 1.224 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100986286 936951135 /nfs/dbraw/zinc/95/11/35/936951135.db2.gz PTTVKQRSVBOGRH-QQFBHYJXSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001082515176 924950824 /nfs/dbraw/zinc/95/08/24/924950824.db2.gz CTUDZFHREJSQIY-VNQPRFMTSA-N 2 0 291.439 1.341 20 30 CDEDRP C=CC[N@@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198243368 925374904 /nfs/dbraw/zinc/37/49/04/925374904.db2.gz IVQAAYBRKVOPSB-UHFFFAOYSA-N 2 0 279.428 1.583 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084905846 925490560 /nfs/dbraw/zinc/49/05/60/925490560.db2.gz PKMSWIOSNOKIJI-PMPSAXMXSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047263 937039149 /nfs/dbraw/zinc/03/91/49/937039149.db2.gz AIPSFLNCVAUXBJ-BPLDGKMQSA-N 2 0 279.428 1.197 20 30 CDEDRP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102337767 937053380 /nfs/dbraw/zinc/05/33/80/937053380.db2.gz RQQLCEVGRGCAPW-RBSFLKMASA-N 2 0 281.444 1.443 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366493 937054338 /nfs/dbraw/zinc/05/43/38/937054338.db2.gz HEGSPXDEHVAUEH-QLFBSQMISA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCCO1 ZINC001201412356 926288458 /nfs/dbraw/zinc/28/84/58/926288458.db2.gz ZMEURLJAMYSBFH-CABCVRRESA-N 2 0 297.443 1.110 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001202354248 926542773 /nfs/dbraw/zinc/54/27/73/926542773.db2.gz XDMTWUFWHLTUQS-OAHLLOKOSA-N 2 0 279.428 1.177 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001410897061 926746511 /nfs/dbraw/zinc/74/65/11/926746511.db2.gz YMAMFLXMFHQOAP-CHWSQXEVSA-N 2 0 287.835 1.660 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001086148454 926752652 /nfs/dbraw/zinc/75/26/52/926752652.db2.gz KVFRDEZCDRTWBG-XBXGTLAGSA-N 2 0 284.363 1.618 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001103139860 937124492 /nfs/dbraw/zinc/12/44/92/937124492.db2.gz BLAIDUWXCXKMEB-BZUAXINKSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550638 937145673 /nfs/dbraw/zinc/14/56/73/937145673.db2.gz ZXDMFOYTLSZDPK-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103718775 937152711 /nfs/dbraw/zinc/15/27/11/937152711.db2.gz DTRVMZBTNMXSBC-RBSFLKMASA-N 2 0 279.428 1.198 20 30 CDEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104000127 937184276 /nfs/dbraw/zinc/18/42/76/937184276.db2.gz WMTOREGDSWJILS-OAGGEKHMSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001150619563 937241314 /nfs/dbraw/zinc/24/13/14/937241314.db2.gz ASLNYBGVMOWBPA-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214862928 937249446 /nfs/dbraw/zinc/24/94/46/937249446.db2.gz AAOBGHWKROIPLY-UKRRQHHQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115144114 937328532 /nfs/dbraw/zinc/32/85/32/937328532.db2.gz QIBXNOJWTJOHCP-QLPKVWCKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001112987321 929624386 /nfs/dbraw/zinc/62/43/86/929624386.db2.gz CPGDJEFZDAYYAP-HNNXBMFYSA-N 2 0 281.444 1.683 20 30 CDEDRP C=C[C@](C)(O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001252582909 929624310 /nfs/dbraw/zinc/62/43/10/929624310.db2.gz YXEBACPHNACXBB-HNNXBMFYSA-N 2 0 261.369 1.577 20 30 CDEDRP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135861825 930480869 /nfs/dbraw/zinc/48/08/69/930480869.db2.gz XXFHUIXDHOBAEY-LSDHHAIUSA-N 2 0 299.459 1.404 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135973747 930585105 /nfs/dbraw/zinc/58/51/05/930585105.db2.gz CWGCPHXAKLNKPO-CABCVRRESA-N 2 0 281.444 1.615 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153910240 937482584 /nfs/dbraw/zinc/48/25/84/937482584.db2.gz LEFPOWSNUJFEOK-CABCVRRESA-N 2 0 283.460 1.975 20 30 CDEDRP C[NH+](C)CCC[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000243791772 937578816 /nfs/dbraw/zinc/57/88/16/937578816.db2.gz QLDZCKVSNNLGDF-UHFFFAOYSA-N 2 0 274.368 1.428 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146599336 932270685 /nfs/dbraw/zinc/27/06/85/932270685.db2.gz AXGYEFZCRAVINM-KGLIPLIRSA-N 2 0 267.417 1.223 20 30 CDEDRP C=CCC[N@H+]1CCC2(CN(C(=O)C[NH+](CC)CC)C2)C1 ZINC001148469235 932712233 /nfs/dbraw/zinc/71/22/33/932712233.db2.gz FZCSNKIOFVTEKE-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956344 933197993 /nfs/dbraw/zinc/19/79/93/933197993.db2.gz DZDDEYMMDIKOLA-KFWWJZLASA-N 2 0 289.423 1.073 20 30 CDEDRP CC(N=NC(N)=[NH2+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779768228 934703838 /nfs/dbraw/zinc/70/38/38/934703838.db2.gz JOEVJJHNMUQYDB-CYBMUJFWSA-N 2 0 259.357 1.367 20 30 CDEDRP C=C[C@H](O)C[NH2+]C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001253610807 935358701 /nfs/dbraw/zinc/35/87/01/935358701.db2.gz IWGIVDDROHYHBA-HOCLYGCPSA-N 2 0 264.413 1.944 20 30 CDEDRP C#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014726282 935548074 /nfs/dbraw/zinc/54/80/74/935548074.db2.gz FIYFQSRDHWAFLH-GJZGRUSLSA-N 2 0 277.412 1.073 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001016931996 935626171 /nfs/dbraw/zinc/62/61/71/935626171.db2.gz ZVHHZVPUVKYTTA-AWEZNQCLSA-N 2 0 289.423 1.239 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3ccnc3)C2)C1 ZINC001041855836 935804685 /nfs/dbraw/zinc/80/46/85/935804685.db2.gz QCBIRDAKKVWZTG-MRXNPFEDSA-N 2 0 288.395 1.384 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])C[C@H](C)CC)CC1 ZINC001121998375 937897703 /nfs/dbraw/zinc/89/77/03/937897703.db2.gz XLHMCOJRBCWJHH-OCCSQVGLSA-N 2 0 267.417 1.517 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159853771 938757414 /nfs/dbraw/zinc/75/74/14/938757414.db2.gz KIZAOADXWNHGDX-UHFFFAOYSA-N 2 0 267.417 1.533 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001163291124 939240876 /nfs/dbraw/zinc/24/08/76/939240876.db2.gz ZKYGTIWJJFNWTO-UHFFFAOYSA-N 2 0 281.444 1.923 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001166759311 939636795 /nfs/dbraw/zinc/63/67/95/939636795.db2.gz RARLGWWKBBUWBN-UHFFFAOYSA-N 2 0 287.835 1.567 20 30 CDEDRP C=CC[NH2+]CCN(CC[NH+](C)C)Cc1ccccc1 ZINC001204604671 939781760 /nfs/dbraw/zinc/78/17/60/939781760.db2.gz UXCCNLQIOYRWGG-UHFFFAOYSA-N 2 0 261.413 1.826 20 30 CDEDRP C[C@@H]1CC[N@H+](Cc2cc(C#N)ccn2)CC[C@@H]1C[NH3+] ZINC001205639235 939910577 /nfs/dbraw/zinc/91/05/77/939910577.db2.gz XTVDMXVEOPLQEO-TZMCWYRMSA-N 2 0 258.369 1.760 20 30 CDEDRP C=CCN1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207482801 940206120 /nfs/dbraw/zinc/20/61/20/940206120.db2.gz GNMZFNNHGWNSEJ-UHFFFAOYSA-N 2 0 251.418 1.522 20 30 CDEDRP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001207749992 940239453 /nfs/dbraw/zinc/23/94/53/940239453.db2.gz ILWRHUPVJDJUSQ-ZIAGYGMSSA-N 2 0 279.428 1.177 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001208341300 940321721 /nfs/dbraw/zinc/32/17/21/940321721.db2.gz YFKQFKBMUFMPJK-CQSZACIVSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001208362509 940323910 /nfs/dbraw/zinc/32/39/10/940323910.db2.gz OZYOLVPCCMEISM-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001209250947 940452809 /nfs/dbraw/zinc/45/28/09/940452809.db2.gz KFBOTPLZKVABLE-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209303736 940458009 /nfs/dbraw/zinc/45/80/09/940458009.db2.gz LNXYESQQISFYNL-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209315527 940459786 /nfs/dbraw/zinc/45/97/86/940459786.db2.gz QQPHWYJFKUTCCY-AWEZNQCLSA-N 2 0 267.417 1.485 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209456214 940592540 /nfs/dbraw/zinc/59/25/40/940592540.db2.gz YESGDMPHKQSWED-AWEZNQCLSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210684448 940705900 /nfs/dbraw/zinc/70/59/00/940705900.db2.gz GNKANLUYDFRTLN-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210743211 940709645 /nfs/dbraw/zinc/70/96/45/940709645.db2.gz GWJCFPSWOFJFDR-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001211258175 940742991 /nfs/dbraw/zinc/74/29/91/940742991.db2.gz ZPBKTLCWNRCWKF-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000402177786 940890127 /nfs/dbraw/zinc/89/01/27/940890127.db2.gz WZHKOPDNRJARRT-UGFHNGPFSA-N 2 0 259.353 1.403 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215541308 940893368 /nfs/dbraw/zinc/89/33/68/940893368.db2.gz XTVCAVWMTYFCPO-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP N#Cc1c(F)ccc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])c1F ZINC001218914476 941288208 /nfs/dbraw/zinc/28/82/08/941288208.db2.gz XEPKPEUQTVBQID-VIFPVBQESA-N 2 0 296.321 1.621 20 30 CDEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791528 941551415 /nfs/dbraw/zinc/55/14/15/941551415.db2.gz QFXVBAZRSULUHE-BZUAXINKSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001223604888 941687577 /nfs/dbraw/zinc/68/75/77/941687577.db2.gz OBBRVKXMWXZZBD-CQSZACIVSA-N 2 0 267.417 1.341 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001224577222 941773050 /nfs/dbraw/zinc/77/30/50/941773050.db2.gz WEDNUMHZCJPDGY-UHFFFAOYSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001225167995 941827793 /nfs/dbraw/zinc/82/77/93/941827793.db2.gz ITDAGPPAJQLLPI-INIZCTEOSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001226831117 942080521 /nfs/dbraw/zinc/08/05/21/942080521.db2.gz OIRKPZUSOYGHTP-HZPDHXFCSA-N 2 0 291.439 1.511 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001316606322 942492193 /nfs/dbraw/zinc/49/21/93/942492193.db2.gz NLCPYMRNWNJJHJ-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP C#Cc1cccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1 ZINC001231659154 942962766 /nfs/dbraw/zinc/96/27/66/942962766.db2.gz HSZCXHQXVCGXBQ-UHFFFAOYSA-N 2 0 297.446 1.880 20 30 CDEDRP C=C(C)CN1CC[C@@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235339666 944129235 /nfs/dbraw/zinc/12/92/35/944129235.db2.gz XUTJUSKJYPGLCF-CQSZACIVSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[NH2+]CCN(Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236561195 944511276 /nfs/dbraw/zinc/51/12/76/944511276.db2.gz OFXVNRGECWOQPX-QAQDUYKDSA-N 2 0 288.439 1.929 20 30 CDEDRP C[N@@H+]1CCC[C@H](NC(=[NH2+])c2ccc(C#N)cc2)CC1 ZINC001254500846 947456391 /nfs/dbraw/zinc/45/63/91/947456391.db2.gz MGXHQMIIBZBCGO-AWEZNQCLSA-N 2 0 256.353 1.748 20 30 CDEDRP C[NH+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254649707 947572845 /nfs/dbraw/zinc/57/28/45/947572845.db2.gz VMWPWHRADJUDGW-TUVASFSCSA-N 2 0 292.427 1.257 20 30 CDEDRP C[NH+]1CCC(C#N)(N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001255106356 947736898 /nfs/dbraw/zinc/73/68/98/947736898.db2.gz SGEHXXNPXWLYDR-KRWDZBQOSA-N 2 0 298.434 1.838 20 30 CDEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001246306436 948093917 /nfs/dbraw/zinc/09/39/17/948093917.db2.gz WAEQQHQPWQWACA-GXFFZTMASA-N 2 0 275.352 1.319 20 30 CDEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246525151 948225590 /nfs/dbraw/zinc/22/55/90/948225590.db2.gz MNIROHLIEGRXNY-WBMJQRKESA-N 3 0 274.412 1.794 20 30 CDEDRP CN1CCC([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001256207838 948238403 /nfs/dbraw/zinc/23/84/03/948238403.db2.gz UZYORNJGQXSSHI-UHFFFAOYSA-N 2 0 299.422 1.560 20 30 CDEDRP C=C1C[C@@H]2CC([N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)C[C@H](C1)C2 ZINC001246643864 948380889 /nfs/dbraw/zinc/38/08/89/948380889.db2.gz QPZGTCVBESZYLH-WFVVYAPDSA-N 2 0 275.440 1.759 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001480120745 971585653 /nfs/dbraw/zinc/58/56/53/971585653.db2.gz PHBJMGQTWCDYLW-UONOGXRCSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@](C)(O)C=C)CC1 ZINC001252556715 951449422 /nfs/dbraw/zinc/44/94/22/951449422.db2.gz IZUPCDZZNCIHQZ-QGZVFWFLSA-N 2 0 293.455 1.215 20 30 CDEDRP C=C[C@@](C)(O)C[NH2+]C1CC[NH+](CC2CCC2)CC1 ZINC001252578622 951471231 /nfs/dbraw/zinc/47/12/31/951471231.db2.gz FINUSOOKRDHMOD-OAHLLOKOSA-N 2 0 252.402 1.778 20 30 CDEDRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C12CCC(C#N)(CC1)CC2 ZINC001253406263 951889164 /nfs/dbraw/zinc/88/91/64/951889164.db2.gz DMMNQQPICYDBSY-IUDNXUCKSA-N 2 0 279.428 1.942 20 30 CDEDRP C=C[C@H](O)C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001253578451 951968492 /nfs/dbraw/zinc/96/84/92/951968492.db2.gz BGKKWUUHHWSIIM-ULQDDVLXSA-N 2 0 272.392 1.597 20 30 CDEDRP C=C[C@H](O)C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001253578452 951969413 /nfs/dbraw/zinc/96/94/13/951969413.db2.gz BGKKWUUHHWSIIM-ZACQAIPSSA-N 2 0 272.392 1.597 20 30 CDEDRP C=C[C@H](O)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001253585709 951977805 /nfs/dbraw/zinc/97/78/05/951977805.db2.gz ZAQFIARDAKESKK-KKUMJFAQSA-N 2 0 252.402 1.872 20 30 CDEDRP C=C[C@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001253606412 951990544 /nfs/dbraw/zinc/99/05/44/951990544.db2.gz HGDWCCYGEBQZEO-HNNXBMFYSA-N 2 0 252.402 1.920 20 30 CDEDRP C#CCNN=Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001324849458 953607471 /nfs/dbraw/zinc/60/74/71/953607471.db2.gz VPXXOEPIXQNCOW-UHFFFAOYSA-N 2 0 274.343 1.134 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001437290340 962786973 /nfs/dbraw/zinc/78/69/73/962786973.db2.gz IVULSVICGKCEKX-AWEZNQCLSA-N 2 0 299.846 1.805 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC001343391392 963965720 /nfs/dbraw/zinc/96/57/20/963965720.db2.gz IRYQDRQQPKVPSO-QWHCGFSZSA-N 2 0 253.390 1.128 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001100406803 968260611 /nfs/dbraw/zinc/26/06/11/968260611.db2.gz MPQRKMFABKFNTD-UYSNPLJNSA-N 2 0 291.439 1.367 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001100409751 968267465 /nfs/dbraw/zinc/26/74/65/968267465.db2.gz HZTWRQPBRIWGGK-UHFFFAOYSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001100445712 968376367 /nfs/dbraw/zinc/37/63/67/968376367.db2.gz BESNLSWWXKCWRE-GPANFISMSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001100668826 968909000 /nfs/dbraw/zinc/90/90/00/968909000.db2.gz HXEXYORGSSNPMA-YMAMQOFZSA-N 2 0 279.428 1.224 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001521439561 970298081 /nfs/dbraw/zinc/29/80/81/970298081.db2.gz SHTGMHXTHPLFKE-HNNXBMFYSA-N 2 0 279.428 1.661 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001400837680 977217579 /nfs/dbraw/zinc/21/75/79/977217579.db2.gz YUXKWKJMOSIDIW-NWDGAFQWSA-N 2 0 273.808 1.318 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001133230779 1163610336 /nfs/dbraw/zinc/61/03/36/1163610336.db2.gz YKDWGVHPDHRHNO-HOTGVXAUSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001133275894 1163624062 /nfs/dbraw/zinc/62/40/62/1163624062.db2.gz XYPDYYSRFHQREQ-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001574903794 1171044869 /nfs/dbraw/zinc/04/48/69/1171044869.db2.gz WWFFOWIEMGSDTM-MJBXVCDLSA-N 2 0 265.401 1.365 20 30 CDEDRP C[NH+](C)CC1(CNC(=O)[C@H]([NH3+])CCCCC#N)CCCC1 ZINC001578412682 1171901961 /nfs/dbraw/zinc/90/19/61/1171901961.db2.gz SHINWBOGELVTBW-CQSZACIVSA-N 2 0 294.443 1.636 20 30 CDEDRP C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)C1CC[NH+](C)CC1 ZINC000600723273 342244945 /nfs/dbraw/zinc/24/49/45/342244945.db2.gz BVKSEIXGRHBACS-JSGCOSHPSA-N 2 0 265.401 1.361 20 30 CDEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524780 342270087 /nfs/dbraw/zinc/27/00/87/342270087.db2.gz GFEJMQSJSVSNKV-UHFFFAOYSA-N 2 0 293.455 1.851 20 30 CDEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442842840 362095148 /nfs/dbraw/zinc/09/51/48/362095148.db2.gz JAKICJOCVAFBFH-ILXRZTDVSA-N 2 0 264.417 1.294 20 30 CDEDRP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598592188 343838331 /nfs/dbraw/zinc/83/83/31/343838331.db2.gz HLHHTUIASBIBJH-CHWSQXEVSA-N 2 0 253.390 1.171 20 30 CDEDRP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598592189 343838347 /nfs/dbraw/zinc/83/83/47/343838347.db2.gz HLHHTUIASBIBJH-OLZOCXBDSA-N 2 0 253.390 1.171 20 30 CDEDRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598596068 343840386 /nfs/dbraw/zinc/84/03/86/343840386.db2.gz QJJDZZALODLTRO-GJZGRUSLSA-N 2 0 281.444 1.951 20 30 CDEDRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598713342 343879777 /nfs/dbraw/zinc/87/97/77/343879777.db2.gz BEZCYDZVLZNEBL-AWEZNQCLSA-N 2 0 267.417 1.750 20 30 CDEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCCC#N)C2)CC1 ZINC000610250291 346229644 /nfs/dbraw/zinc/22/96/44/346229644.db2.gz MKRPGYZATDNHCW-OAHLLOKOSA-N 2 0 264.417 1.390 20 30 CDEDRP CCC[NH+]1CCC([NH2+]C2CCN(CC#N)CC2)CC1 ZINC000610812724 346443809 /nfs/dbraw/zinc/44/38/09/346443809.db2.gz LDTBIWAPIOJSQR-UHFFFAOYSA-N 2 0 264.417 1.438 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000491661199 347585076 /nfs/dbraw/zinc/58/50/76/347585076.db2.gz DGNUEADWWFIXRN-OAHLLOKOSA-N 2 0 294.443 1.148 20 30 CDEDRP N#CC1(CCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCOCC1 ZINC000619620102 349262386 /nfs/dbraw/zinc/26/23/86/349262386.db2.gz QBMDNPTYHXJUQF-ZIAGYGMSSA-N 2 0 263.385 1.238 20 30 CDEDRP Cc1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C)C2)cc1C ZINC000264063479 362955220 /nfs/dbraw/zinc/95/52/20/362955220.db2.gz AGSRJFIVBFEWQH-CYBMUJFWSA-N 2 0 260.385 1.982 20 30 CDEDRP C[C@H](CNC(=[NH2+])Nc1ccccc1)N1CC[NH+](C)CC1 ZINC000264071845 362957713 /nfs/dbraw/zinc/95/77/13/362957713.db2.gz DMAYHDDXQGWSLR-CYBMUJFWSA-N 2 0 275.400 1.049 20 30 CDEDRP CNC(=[NH2+])NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000264084384 362961530 /nfs/dbraw/zinc/96/15/30/362961530.db2.gz JHWRLHRRYDOACV-STQMWFEESA-N 2 0 290.411 1.330 20 30 CDEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000264086374 362963071 /nfs/dbraw/zinc/96/30/71/362963071.db2.gz JNYXWUDGHYSDBU-LBPRGKRZSA-N 2 0 262.357 1.516 20 30 CDEDRP CC[N@H+](CCNC(=[NH2+])Nc1ccc(OC)cc1)C1CC1 ZINC000264261537 363013098 /nfs/dbraw/zinc/01/30/98/363013098.db2.gz JNYZHUQHSRXMON-UHFFFAOYSA-N 2 0 276.384 1.906 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1([NH3+])CC1)C(C)C ZINC000165196506 363626220 /nfs/dbraw/zinc/62/62/20/363626220.db2.gz NNKFVHUAGGUCBZ-ZDUSSCGKSA-N 2 0 265.401 1.293 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCC[NH+](C)C)C(C)C ZINC000270650104 359408205 /nfs/dbraw/zinc/40/82/05/359408205.db2.gz LRWNWQZIJDCBLG-HNNXBMFYSA-N 2 0 296.459 1.546 20 30 CDEDRP C=CCN1CC[C@@H]([NH+]2CCC(CC[NH+](C)C)CC2)C1=O ZINC000337127264 359995577 /nfs/dbraw/zinc/99/55/77/359995577.db2.gz GOYKUTQEIMRVND-OAHLLOKOSA-N 2 0 279.428 1.437 20 30 CDEDRP C[C@H](CCC#N)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000429684851 360867580 /nfs/dbraw/zinc/86/75/80/360867580.db2.gz NFORUARCXUUUBR-CQSZACIVSA-N 2 0 252.406 1.248 20 30 CDEDRP C=CC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000363676090 260603515 /nfs/dbraw/zinc/60/35/15/260603515.db2.gz ZUIFKSDMXIZCQD-KBPBESRZSA-N 2 0 252.402 1.994 20 30 CDEDRP N#Cc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)o1 ZINC000304255989 371098981 /nfs/dbraw/zinc/09/89/81/371098981.db2.gz AQFXBBKSLZSAPQ-ZDUSSCGKSA-N 2 0 277.368 1.478 20 30 CDEDRP COc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)ccc1C#N ZINC000414911950 374222276 /nfs/dbraw/zinc/22/22/76/374222276.db2.gz HKFAMGPBDGHXGM-KBPBESRZSA-N 2 0 259.353 1.926 20 30 CDEDRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(C#N)o2)CC1(C)C ZINC000282508209 375090917 /nfs/dbraw/zinc/09/09/17/375090917.db2.gz XFHISBAUCVLDDY-UHFFFAOYSA-N 2 0 276.384 1.267 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000417534738 377877796 /nfs/dbraw/zinc/87/77/96/377877796.db2.gz WAPNTGBNWXMEKI-HIFRSBDPSA-N 2 0 294.443 1.548 20 30 CDEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343929306 379020508 /nfs/dbraw/zinc/02/05/08/379020508.db2.gz JCBVPEFQQRDNAN-IKGGRYGDSA-N 2 0 295.471 1.271 20 30 CDEDRP C=CCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343930104 379021554 /nfs/dbraw/zinc/02/15/54/379021554.db2.gz XMMXQASTCONGLJ-JKSUJKDBSA-N 2 0 265.445 1.910 20 30 CDEDRP C[N@H+]1CC=C(CNC(=[NH2+])Nc2cc(F)ccc2F)CC1 ZINC000262321034 391089824 /nfs/dbraw/zinc/08/98/24/391089824.db2.gz VTVNOFRSHASOCJ-UHFFFAOYSA-N 2 0 280.322 1.953 20 30 CDEDRP C[NH+]=C(NCc1ccoc1)NC[C@H]1CCC[N@@H+]1C ZINC000176328281 391151417 /nfs/dbraw/zinc/15/14/17/391151417.db2.gz OWWWGFYRVPHXKI-GFCCVEGCSA-N 2 0 250.346 1.039 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H](C)C[NH3+])C(C)C ZINC000417060341 391341909 /nfs/dbraw/zinc/34/19/09/391341909.db2.gz JVNIOZCGPWPVGM-KGLIPLIRSA-N 2 0 282.432 1.331 20 30 CDEDRP C=CC[NH+](C)CCN(CC)CC[C@H]1CCC[N@@H+]1C ZINC000411634722 391494177 /nfs/dbraw/zinc/49/41/77/391494177.db2.gz APZCSRVDBDUREN-OAHLLOKOSA-N 2 0 253.434 1.910 20 30 CDEDRP N#Cc1csc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000304656525 392210881 /nfs/dbraw/zinc/21/08/81/392210881.db2.gz RYXSWRKXISDQKF-AWEZNQCLSA-N 2 0 293.436 1.946 20 30 CDEDRP C=CC[C@H](C)[C@@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290899 414028837 /nfs/dbraw/zinc/02/88/37/414028837.db2.gz OBHJDAFZFZMZIQ-VHSXEESVSA-N 2 0 250.346 1.331 20 30 CDEDRP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])C1=O ZINC000662314430 414633223 /nfs/dbraw/zinc/63/32/23/414633223.db2.gz DBSLVBXDXJHCRI-KFWWJZLASA-N 2 0 279.428 1.613 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)/C=C\C[NH+](C)C)CC1 ZINC000491887286 262141438 /nfs/dbraw/zinc/14/14/38/262141438.db2.gz SPQRQFXWCSLNQB-WAYWQWQTSA-N 2 0 265.401 1.261 20 30 CDEDRP C[C@@H]1C[N@H+](CCCNC(=[NH2+])Nc2ccccn2)CCCO1 ZINC000277243203 263040439 /nfs/dbraw/zinc/04/04/39/263040439.db2.gz HLZFXDFYJPWACD-CYBMUJFWSA-N 2 0 291.399 1.309 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000341088055 263321795 /nfs/dbraw/zinc/32/17/95/263321795.db2.gz JXZUSHONWKSDRR-ZFWWWQNUSA-N 2 0 294.443 1.419 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000341088054 263321808 /nfs/dbraw/zinc/32/18/08/263321808.db2.gz JXZUSHONWKSDRR-UKRRQHHQSA-N 2 0 294.443 1.419 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000370683772 267338431 /nfs/dbraw/zinc/33/84/31/267338431.db2.gz ZUCDTVFQTWYUDK-AWEZNQCLSA-N 2 0 265.401 1.191 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(C#N)s1 ZINC000573526640 294834578 /nfs/dbraw/zinc/83/45/78/294834578.db2.gz KJZYAFIZUXVYDS-UHFFFAOYSA-N 2 0 280.441 1.545 20 30 CDEDRP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001671779792 1173711310 /nfs/dbraw/zinc/71/13/10/1173711310.db2.gz MRDYUNADXLOISK-WBVHZDCISA-N 2 0 293.455 1.424 20 30 CDEDRP C[NH+]=C(NCC[N@@H+]1CCCC[C@@H]1C)N(C)Cc1ccon1 ZINC000261749564 328141049 /nfs/dbraw/zinc/14/10/49/328141049.db2.gz LQVVNAKSXNRVCE-ZDUSSCGKSA-N 2 0 293.415 1.556 20 30 CDEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000340598861 328295675 /nfs/dbraw/zinc/29/56/75/328295675.db2.gz ASGQJUVZAGGZGN-AWEZNQCLSA-N 2 0 281.444 1.731 20 30 CDEDRP C[C@H](CC[NH2+]C[C@@H](O)CN(C)CCC#N)[NH+]1CCCCC1 ZINC000564872958 327062101 /nfs/dbraw/zinc/06/21/01/327062101.db2.gz JULXGPAGHVHNSE-HZPDHXFCSA-N 2 0 296.459 1.047 20 30 CDEDRP C[NH+]=C(NCC1(SC)CC[NH+](C)CC1)NC1CC1 ZINC000262352600 330007684 /nfs/dbraw/zinc/00/76/84/330007684.db2.gz GJWBSKCNCJDNJF-UHFFFAOYSA-N 2 0 270.446 1.141 20 30 CDEDRP [NH2+]=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CCSCC1 ZINC000262721528 330028526 /nfs/dbraw/zinc/02/85/26/330028526.db2.gz FVEQSJHQTNBJQL-CYBMUJFWSA-N 2 0 282.457 1.367 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000263237740 330050065 /nfs/dbraw/zinc/05/00/65/330050065.db2.gz KEBTWVKMNVUSHC-BETUJISGSA-N 2 0 282.432 1.355 20 30 CDEDRP C=CCN1CCC([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422857961 330157707 /nfs/dbraw/zinc/15/77/07/330157707.db2.gz HUWMJQXIQMDZGK-ZFWWWQNUSA-N 2 0 251.418 1.615 20 30 CDEDRP C=CCC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccco1 ZINC000423207447 330177463 /nfs/dbraw/zinc/17/74/63/330177463.db2.gz RMZKGENVVKVEOA-AWEZNQCLSA-N 2 0 263.385 1.782 20 30 CDEDRP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000423455009 330203396 /nfs/dbraw/zinc/20/33/96/330203396.db2.gz MCTRFMZSPKJCTB-SHFYGJNESA-N 2 0 293.455 1.824 20 30 CDEDRP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1CCCCC1 ZINC000424131743 330264026 /nfs/dbraw/zinc/26/40/26/330264026.db2.gz JQZRQDWXPGWEEC-HUUCEWRRSA-N 2 0 294.443 1.634 20 30 CDEDRP C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C(C)(C)C[NH+](C)C ZINC000424145727 330291508 /nfs/dbraw/zinc/29/15/08/330291508.db2.gz OILXAGLXCCSZIS-RYUDHWBXSA-N 2 0 268.405 1.100 20 30 CDEDRP C#CCNC(=O)CC[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000491747072 332324567 /nfs/dbraw/zinc/32/45/67/332324567.db2.gz CCYHMBPGEDVGLE-JKSUJKDBSA-N 2 0 293.455 1.616 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCC1 ZINC001754987109 1159495339 /nfs/dbraw/zinc/49/53/39/1159495339.db2.gz HCBBDXMFRYWTAL-UHFFFAOYSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108756465 1162022637 /nfs/dbraw/zinc/02/26/37/1162022637.db2.gz KVYTXZOPQVOTDE-MJBXVCDLSA-N 2 0 265.401 1.093 20 30 CDEDRP C#CCN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000970019601 613117555 /nfs/dbraw/zinc/11/75/55/613117555.db2.gz HKFHHFIDIHCBRA-GDBMZVCRSA-N 2 0 291.439 1.177 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)C(C)C)C2)CC1 ZINC000980477693 613129680 /nfs/dbraw/zinc/12/96/80/613129680.db2.gz JBPKUOGIJFZASB-INIZCTEOSA-N 2 0 291.439 1.273 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CC)C[C@@H]2C)CC1 ZINC000980815301 613129778 /nfs/dbraw/zinc/12/97/78/613129778.db2.gz BHGDFSCPCTTZNC-LSDHHAIUSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)CC[N@H+]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000981324921 613252321 /nfs/dbraw/zinc/25/23/21/613252321.db2.gz XNCMRHUOGHRREM-UHFFFAOYSA-N 2 0 293.455 1.971 20 30 CDEDRP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942517980 613270192 /nfs/dbraw/zinc/27/01/92/613270192.db2.gz KBAIEOHIGFGANA-BBRMVZONSA-N 2 0 296.374 1.408 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944917946 613271082 /nfs/dbraw/zinc/27/10/82/613271082.db2.gz FWCSFNSGHQJFPC-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000977920633 613278742 /nfs/dbraw/zinc/27/87/42/613278742.db2.gz MTBBNCYDZCHUBI-JONQDZQNSA-N 2 0 291.439 1.341 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC000958414506 613280076 /nfs/dbraw/zinc/28/00/76/613280076.db2.gz GBGVEENMJSYKRJ-LJISPDSOSA-N 2 0 277.412 1.093 20 30 CDEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000971688514 613289013 /nfs/dbraw/zinc/28/90/13/613289013.db2.gz WKKYDENUZHLPQY-HNNXBMFYSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000969971064 613299319 /nfs/dbraw/zinc/29/93/19/613299319.db2.gz WMQQLXUFAFHDEU-UKRRQHHQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947935222 613326898 /nfs/dbraw/zinc/32/68/98/613326898.db2.gz PLMXKQRHTIFPMO-LSDHHAIUSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC000970372033 613485210 /nfs/dbraw/zinc/48/52/10/613485210.db2.gz KPZFZNJBLHUEIV-ZDUSSCGKSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000957325696 613508507 /nfs/dbraw/zinc/50/85/07/613508507.db2.gz UEVXPWDPHXMURQ-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000972071179 613610708 /nfs/dbraw/zinc/61/07/08/613610708.db2.gz UUPVAUWVRPIBHL-CQSZACIVSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000970326671 613663280 /nfs/dbraw/zinc/66/32/80/613663280.db2.gz VDBCZCSHHUTRGL-MJBXVCDLSA-N 2 0 279.428 1.339 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000961341125 613839919 /nfs/dbraw/zinc/83/99/19/613839919.db2.gz HUGJCRBKYZDJAP-JJXSEGSLSA-N 2 0 289.423 1.093 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000968966812 613863401 /nfs/dbraw/zinc/86/34/01/613863401.db2.gz DCDAQJLUISLFJA-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000981366378 613871515 /nfs/dbraw/zinc/87/15/15/613871515.db2.gz BXUHMWMUEFYAIN-JKSUJKDBSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CC[C@@H](CO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000895963020 619923744 /nfs/dbraw/zinc/92/37/44/619923744.db2.gz FTTSUMZDLSPEKA-HNNXBMFYSA-N 2 0 252.402 1.471 20 30 CDEDRP C=CC[C@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903132254 625861815 /nfs/dbraw/zinc/86/18/15/625861815.db2.gz OYJPLUJWPMHXAQ-WYQXTGKHSA-N 2 0 264.413 1.918 20 30 CDEDRP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])NC(C)C)C1 ZINC000157399565 630598155 /nfs/dbraw/zinc/59/81/55/630598155.db2.gz PKECDENBDVTTCO-CYBMUJFWSA-N 2 0 254.422 1.667 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000917098431 632148632 /nfs/dbraw/zinc/14/86/32/632148632.db2.gz XOQFFVTYAQLNKK-UHFFFAOYSA-N 2 0 294.443 1.420 20 30 CDEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158435213 1163003289 /nfs/dbraw/zinc/00/32/89/1163003289.db2.gz XSHKYZUFSMXKDG-MRXNPFEDSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001754707997 1159436303 /nfs/dbraw/zinc/43/63/03/1159436303.db2.gz LZABQPUXPJSZHL-HNNXBMFYSA-N 2 0 267.417 1.342 20 30 CDEDRP N#Cc1cccc(C[NH+]2CCC(c3nnc(C[NH3+])[nH]3)CC2)c1 ZINC001574250281 1170931459 /nfs/dbraw/zinc/93/14/59/1170931459.db2.gz WQXUUPLFHHXKMR-UHFFFAOYSA-N 2 0 296.378 1.515 20 30 CDEDRP C#Cc1ccc(NC(=O)CCN2CCCC[C@H]2C[NH3+])cc1 ZINC001574757452 1171006447 /nfs/dbraw/zinc/00/64/47/1171006447.db2.gz PWXKKPDWAQOWBA-INIZCTEOSA-N 2 0 285.391 1.810 20 30 CDEDRP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001731372606 1182342081 /nfs/dbraw/zinc/34/20/81/1182342081.db2.gz PWGVJWCTYMFZBS-JKSUJKDBSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CC[NH2+]C1CCC(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001752854122 1184933719 /nfs/dbraw/zinc/93/37/19/1184933719.db2.gz SSRYOQVXPDSIPJ-UYSNPLJNSA-N 2 0 293.455 1.757 20 30 CDEDRP C=C(C)C[NH2+]C1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001752854251 1184933722 /nfs/dbraw/zinc/93/37/22/1184933722.db2.gz YVECFWYIBMSZIY-UHFFFAOYSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CC[NH2+]C[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001753644890 1185283520 /nfs/dbraw/zinc/28/35/20/1185283520.db2.gz OTYWKWSNXYZQAW-AWEZNQCLSA-N 2 0 287.407 1.337 20 30 CDEDRP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[NH+]1CCCC1 ZINC001753740157 1185323611 /nfs/dbraw/zinc/32/36/11/1185323611.db2.gz AGYYAWSRGDJGMP-CQSZACIVSA-N 2 0 267.417 1.389 20 30 CDEDRP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001754321707 1185576141 /nfs/dbraw/zinc/57/61/41/1185576141.db2.gz QAWKJOCUKSQJFN-CVEARBPZSA-N 2 0 293.455 1.568 20 30 CDEDRP CC#CC[N@H+](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001754332646 1185584814 /nfs/dbraw/zinc/58/48/14/1185584814.db2.gz FMYNHKQRBIFTHF-MRXNPFEDSA-N 2 0 293.455 1.712 20 30 CDEDRP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001754722701 1185714542 /nfs/dbraw/zinc/71/45/42/1185714542.db2.gz ATUBHVJNSRPBQZ-DOTOQJQBSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCOCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001755163038 1185837627 /nfs/dbraw/zinc/83/76/27/1185837627.db2.gz CHGFPOMNQMBSBS-CABCVRRESA-N 2 0 297.443 1.110 20 30 CDEDRP C=CC[NH2+]CCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001755511946 1185976504 /nfs/dbraw/zinc/97/65/04/1185976504.db2.gz RPQFGKOVFGXFNG-AWEZNQCLSA-N 2 0 281.444 1.921 20 30 CDEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001755619638 1186014508 /nfs/dbraw/zinc/01/45/08/1186014508.db2.gz YCJVDNMEPOQHLR-OAHLLOKOSA-N 2 0 279.428 1.322 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114405463 1164842273 /nfs/dbraw/zinc/84/22/73/1164842273.db2.gz SQMWMYQVTPECND-FICVDOATSA-N 2 0 291.439 1.483 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848353111 790310955 /nfs/dbraw/zinc/31/09/55/790310955.db2.gz XJBXAYNPYHYXIS-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072081585 790810367 /nfs/dbraw/zinc/81/03/67/790810367.db2.gz OBIIBUDYPFUORN-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049231804 790820371 /nfs/dbraw/zinc/82/03/71/790820371.db2.gz LVCRWVHTZPRCAZ-YHUYYLMFSA-N 2 0 291.439 1.435 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](NC(=O)Cn2ccnc2)CC[C@H]1C ZINC001072122233 790874008 /nfs/dbraw/zinc/87/40/08/790874008.db2.gz GQTAHTBUVCSHIC-KGLIPLIRSA-N 2 0 276.384 1.428 20 30 CDEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCCCCC2)C1 ZINC000305067909 790975914 /nfs/dbraw/zinc/97/59/14/790975914.db2.gz NQDQKJFDCPPQCR-AWEZNQCLSA-N 2 0 266.433 1.909 20 30 CDEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001005994889 791123008 /nfs/dbraw/zinc/12/30/08/791123008.db2.gz DOLNOQKCFKFIBB-ZBFHGGJFSA-N 2 0 291.439 1.130 20 30 CDEDRP CNC(NC[C@H](C(C)C)[NH+]1CCC(C)CC1)=[NH+]C ZINC000303269070 789876329 /nfs/dbraw/zinc/87/63/29/789876329.db2.gz ZSYMKEFSXQEBTM-CYBMUJFWSA-N 2 0 254.422 1.538 20 30 CDEDRP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001028636232 789901669 /nfs/dbraw/zinc/90/16/69/789901669.db2.gz MMSIGLCKINPUCX-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C(C)C)C1)NC1CC1 ZINC000303412862 789982856 /nfs/dbraw/zinc/98/28/56/789982856.db2.gz YHHMLDORSXLOEC-LBPRGKRZSA-N 2 0 252.406 1.434 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=C)C)C2)CC1 ZINC001016330755 791234705 /nfs/dbraw/zinc/23/47/05/791234705.db2.gz GZDDAGBFZRZCIC-INIZCTEOSA-N 2 0 289.423 1.098 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001027680827 791245280 /nfs/dbraw/zinc/24/52/80/791245280.db2.gz KCBDAMWZGDGIIH-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028549366 791353700 /nfs/dbraw/zinc/35/37/00/791353700.db2.gz PLSRAPSEQMFQEI-RBSFLKMASA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015652385 791403761 /nfs/dbraw/zinc/40/37/61/791403761.db2.gz DOMSAKQCKAAXRC-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001054852940 791528642 /nfs/dbraw/zinc/52/86/42/791528642.db2.gz AKJNYCVKYHSRBO-LSDHHAIUSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999789404 791532370 /nfs/dbraw/zinc/53/23/70/791532370.db2.gz HDZFKXSSZDPLAZ-JKSUJKDBSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024630266 791649265 /nfs/dbraw/zinc/64/92/65/791649265.db2.gz MGTMMCXBKZQFTI-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000985459655 791706323 /nfs/dbraw/zinc/70/63/23/791706323.db2.gz LUKJDIRVUNXJLC-INIZCTEOSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000989636404 791790392 /nfs/dbraw/zinc/79/03/92/791790392.db2.gz WRFLNVQJWSONDD-ZBFHGGJFSA-N 2 0 293.455 1.872 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028029645 791818933 /nfs/dbraw/zinc/81/89/33/791818933.db2.gz IVABRMYXKYXCCQ-OAHLLOKOSA-N 2 0 296.374 1.552 20 30 CDEDRP CCN(CC)C(=[NH2+])NCC[C@@H](C)[NH+]1CCCCC1 ZINC000305833480 791856510 /nfs/dbraw/zinc/85/65/10/791856510.db2.gz VQNGIUOGPGSHIY-CYBMUJFWSA-N 2 0 254.422 1.907 20 30 CDEDRP CNC(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)=[NH+]C ZINC000068041911 791955259 /nfs/dbraw/zinc/95/52/59/791955259.db2.gz ZOZJCNIPRPWYNH-CQSZACIVSA-N 2 0 266.433 1.826 20 30 CDEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC000999510681 792138486 /nfs/dbraw/zinc/13/84/86/792138486.db2.gz YADWUWGBSJVBMH-UHFFFAOYSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCN1CC[C@H]([N@H+](C)CC2CC[NH+](C)CC2)C1=O ZINC000799122067 792159298 /nfs/dbraw/zinc/15/92/98/792159298.db2.gz NGVGXGYDUTZKEH-AWEZNQCLSA-N 2 0 265.401 1.047 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000987294030 792460062 /nfs/dbraw/zinc/46/00/62/792460062.db2.gz QFAVGVTUQPKWES-HOCLYGCPSA-N 2 0 291.439 1.319 20 30 CDEDRP C[NH+]=C(NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)NC1CC1 ZINC000848988092 792604896 /nfs/dbraw/zinc/60/48/96/792604896.db2.gz FPUQFMMHPPXKGF-CHWSQXEVSA-N 2 0 266.433 1.682 20 30 CDEDRP CC[C@@H](C)NC(=[NH2+])NC[C@@H](C)C[NH+]1CCCCC1 ZINC000303258596 792603435 /nfs/dbraw/zinc/60/34/35/792603435.db2.gz LBCILFYDVNWIMN-CHWSQXEVSA-N 2 0 254.422 1.811 20 30 CDEDRP C=CCC[C@@H](O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000923384249 792842351 /nfs/dbraw/zinc/84/23/51/792842351.db2.gz VJKFLSWRMDAKBV-ZIAGYGMSSA-N 2 0 252.402 1.778 20 30 CDEDRP CCC(CC)[C@H](CNC(=[NH2+])N(C)C)[NH+]1CCCC1 ZINC000170910291 792861654 /nfs/dbraw/zinc/86/16/54/792861654.db2.gz UQMMWSVJWORPDL-ZDUSSCGKSA-N 2 0 254.422 1.763 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000997094856 792872502 /nfs/dbraw/zinc/87/25/02/792872502.db2.gz VZLPDNQPBSZTTH-JKSUJKDBSA-N 2 0 291.439 1.770 20 30 CDEDRP CC[C@@H]1CN(C(NC[C@H](C)[N@H+](C)C2CC2)=[NH+]C)CCS1 ZINC000261929581 792897778 /nfs/dbraw/zinc/89/77/78/792897778.db2.gz LJPZEBQTKLQPJA-GXTWGEPZSA-N 2 0 298.500 1.872 20 30 CDEDRP C[C@@H](CO)N(C)[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000842541140 793066708 /nfs/dbraw/zinc/06/67/08/793066708.db2.gz FTFGNDUOOYUGEY-AWEZNQCLSA-N 2 0 290.411 1.085 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001033777277 793107384 /nfs/dbraw/zinc/10/73/84/793107384.db2.gz UMHYDGSYFHYWNT-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000819366680 793153607 /nfs/dbraw/zinc/15/36/07/793153607.db2.gz SHLDVNWQLDHTEY-DOTOQJQBSA-N 2 0 287.407 1.913 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC001029004059 793301948 /nfs/dbraw/zinc/30/19/48/793301948.db2.gz SLGVVTFJUITIMU-HNNXBMFYSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027651888 793363700 /nfs/dbraw/zinc/36/37/00/793363700.db2.gz NUIWBEZQEHULFK-CQSZACIVSA-N 2 0 277.412 1.191 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001038262824 793862535 /nfs/dbraw/zinc/86/25/35/793862535.db2.gz OTMKLJDECZTGRC-CABCVRRESA-N 2 0 277.412 1.095 20 30 CDEDRP C=CC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992415664 793947313 /nfs/dbraw/zinc/94/73/13/793947313.db2.gz MZMJGHJQQNDLDV-ZMSDIMECSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001033192062 793968302 /nfs/dbraw/zinc/96/83/02/793968302.db2.gz NDMLYYBMAVZPGV-AWEZNQCLSA-N 2 0 290.411 1.645 20 30 CDEDRP C=CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CC[C@@H](C)C3)CCC[C@H]12 ZINC000992193377 794389126 /nfs/dbraw/zinc/38/91/26/794389126.db2.gz VFFGUXAFWSUPGC-HLLBOEOZSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001022980207 794543622 /nfs/dbraw/zinc/54/36/22/794543622.db2.gz LEEOLDUWGSMVQW-TXEJJXNPSA-N 2 0 283.803 1.072 20 30 CDEDRP COc1cccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000261997647 794757059 /nfs/dbraw/zinc/75/70/59/794757059.db2.gz OLLRZNGWRNDHMP-GFCCVEGCSA-N 2 0 288.395 1.906 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000932141170 794776681 /nfs/dbraw/zinc/77/66/81/794776681.db2.gz SOJDRSDQESHYQI-HNNXBMFYSA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000988956687 794785399 /nfs/dbraw/zinc/78/53/99/794785399.db2.gz STZAWCOKTNRGFH-UONOGXRCSA-N 2 0 279.428 1.626 20 30 CDEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997864821 794794842 /nfs/dbraw/zinc/79/48/42/794794842.db2.gz ANSPUAMUXJMEGQ-GOEBONIOSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001028580418 794818230 /nfs/dbraw/zinc/81/82/30/794818230.db2.gz VYEPWLYLKTZMBT-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[C@@H](C)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000883437585 794841998 /nfs/dbraw/zinc/84/19/98/794841998.db2.gz WEDMOCZJVSCCSE-BNOWGMLFSA-N 2 0 279.384 1.208 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999573471 794955219 /nfs/dbraw/zinc/95/52/19/794955219.db2.gz IYCYEMFHOBPKEP-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[C@H](O)CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000923364304 794999580 /nfs/dbraw/zinc/99/95/80/794999580.db2.gz JXELMAQOSHZSGC-RRFJBIMHSA-N 2 0 252.402 1.920 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NCCC[NH+]1CCC(C)CC1 ZINC000303783222 795042463 /nfs/dbraw/zinc/04/24/63/795042463.db2.gz OAXCWPFIBDWGAJ-CYBMUJFWSA-N 2 0 270.421 1.048 20 30 CDEDRP CC(C)(C)NC(=[NH2+])NCC(C)(C)[NH+]1CCCCC1 ZINC000303783182 795216076 /nfs/dbraw/zinc/21/60/76/795216076.db2.gz NYYRMFGARVGXGQ-UHFFFAOYSA-N 2 0 254.422 1.954 20 30 CDEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001016970086 795251149 /nfs/dbraw/zinc/25/11/49/795251149.db2.gz RXOMPYFAJZSXKL-HUUCEWRRSA-N 2 0 291.439 1.485 20 30 CDEDRP CC[C@@]1(C)CCN(C(NCCN2CCC2)=[NH+]C)C1 ZINC000261682516 795278275 /nfs/dbraw/zinc/27/82/75/795278275.db2.gz DERURTQHDAVGDH-AWEZNQCLSA-N 2 0 252.406 1.390 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001020679499 795330480 /nfs/dbraw/zinc/33/04/80/795330480.db2.gz TUBCENKWVXQICR-SHTZXODSSA-N 2 0 279.428 1.531 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001023130519 795454057 /nfs/dbraw/zinc/45/40/57/795454057.db2.gz RUVKVNSRGDHONV-HZSPNIEDSA-N 2 0 299.846 1.850 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001003628656 795464080 /nfs/dbraw/zinc/46/40/80/795464080.db2.gz SNQIVVUQQABWEI-AWEZNQCLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001044729388 795497210 /nfs/dbraw/zinc/49/72/10/795497210.db2.gz TXOLUBITLAQGAO-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015051882 795565684 /nfs/dbraw/zinc/56/56/84/795565684.db2.gz FKRHZEVAPSIXEB-HOTGVXAUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076462156 795581122 /nfs/dbraw/zinc/58/11/22/795581122.db2.gz JUCWVBWKTWDMFJ-OWCLPIDISA-N 2 0 291.439 1.437 20 30 CDEDRP CC[C@]1(C)CCN(C(NC[C@H]2CC[N@H+](C)C2)=[NH+]C)C1 ZINC000261712740 795605761 /nfs/dbraw/zinc/60/57/61/795605761.db2.gz HJXWCCMXMMXHHG-UKRRQHHQSA-N 2 0 266.433 1.636 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015089179 795750957 /nfs/dbraw/zinc/75/09/57/795750957.db2.gz HQRWIAQNFPTWNQ-HNNXBMFYSA-N 2 0 291.439 1.772 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001001534421 795764559 /nfs/dbraw/zinc/76/45/59/795764559.db2.gz KFUABSKIPJGWOW-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000996713297 795806523 /nfs/dbraw/zinc/80/65/23/795806523.db2.gz SMIYRXMRCLNLLJ-JKSUJKDBSA-N 2 0 289.423 1.217 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001023123009 795818667 /nfs/dbraw/zinc/81/86/67/795818667.db2.gz NAHVPBJNQXNBQE-KPWCQOOUSA-N 2 0 299.846 1.849 20 30 CDEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001045556349 795864062 /nfs/dbraw/zinc/86/40/62/795864062.db2.gz CVSDJYRBMGVIGO-KGLIPLIRSA-N 2 0 279.428 1.341 20 30 CDEDRP FC[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H](CF)C2)C1 ZINC000880299167 795872305 /nfs/dbraw/zinc/87/23/05/795872305.db2.gz PKNWIOIMHHZIBK-KBPBESRZSA-N 2 0 256.340 1.573 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000989826700 795885790 /nfs/dbraw/zinc/88/57/90/795885790.db2.gz RUOREFISENCXJG-PBHICJAKSA-N 2 0 299.418 1.574 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014723395 796048073 /nfs/dbraw/zinc/04/80/73/796048073.db2.gz OWLCEAHNBOZNDS-CVEARBPZSA-N 2 0 291.439 1.463 20 30 CDEDRP N#CCOc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848719401 796056824 /nfs/dbraw/zinc/05/68/24/796056824.db2.gz DHXZQVYEVJMTAZ-KBPBESRZSA-N 2 0 259.353 1.948 20 30 CDEDRP CCC(CC)[C@H](CNC(=[NH2+])NCC(C)C)[NH+](C)C ZINC000303775706 796070840 /nfs/dbraw/zinc/07/08/40/796070840.db2.gz GYFOUFPJYQJIJE-ZDUSSCGKSA-N 2 0 256.438 1.913 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001076241593 796238092 /nfs/dbraw/zinc/23/80/92/796238092.db2.gz UWRGKFAVUHSGAP-HRCADAONSA-N 2 0 291.439 1.580 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694225 796422587 /nfs/dbraw/zinc/42/25/87/796422587.db2.gz UXPXDMANHYELMX-INIZCTEOSA-N 2 0 291.439 1.418 20 30 CDEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001097101259 1166965625 /nfs/dbraw/zinc/96/56/25/1166965625.db2.gz KTPCEHRMHWSZKM-QCODTGAPSA-N 2 0 289.423 1.071 20 30 CDEDRP C#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132105238 1163174976 /nfs/dbraw/zinc/17/49/76/1163174976.db2.gz DDBOLQSSGBMRRF-ZIAGYGMSSA-N 2 0 277.412 1.073 20 30 CDEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001175302473 913529952 /nfs/dbraw/zinc/52/99/52/913529952.db2.gz BRNOBIVWJDVWQS-CABCVRRESA-N 2 0 281.444 1.615 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206871384 894780297 /nfs/dbraw/zinc/78/02/97/894780297.db2.gz JRPOWBBZFWJAID-MRXNPFEDSA-N 2 0 293.455 1.733 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127344688 913956108 /nfs/dbraw/zinc/95/61/08/913956108.db2.gz QFZQMHLWYGTLLX-HNNXBMFYSA-N 2 0 291.439 1.370 20 30 CDEDRP C=CC[NH2+]CCN1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000706584683 895582635 /nfs/dbraw/zinc/58/26/35/895582635.db2.gz IMDXOHMUWUZPQM-UHFFFAOYSA-N 2 0 271.408 1.580 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001206274482 914148654 /nfs/dbraw/zinc/14/86/54/914148654.db2.gz IHUIDKDUZUJXNG-OAHLLOKOSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001176857675 914352024 /nfs/dbraw/zinc/35/20/24/914352024.db2.gz YMLUSULDNONBEX-ZIAGYGMSSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001104908234 899658094 /nfs/dbraw/zinc/65/80/94/899658094.db2.gz OHFGONJYMPQITE-BZUAXINKSA-N 2 0 293.455 1.588 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001104908473 899659904 /nfs/dbraw/zinc/65/99/04/899659904.db2.gz YDOBDIBXVNXOLK-BZUAXINKSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]12 ZINC001026348027 899689966 /nfs/dbraw/zinc/68/99/66/899689966.db2.gz CGBKUAFBKXWBBJ-OWCLPIDISA-N 2 0 291.439 1.341 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176992696 914420723 /nfs/dbraw/zinc/42/07/23/914420723.db2.gz XVAJEFKCLFYAOR-HNNXBMFYSA-N 2 0 281.444 1.779 20 30 CDEDRP CC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1CC ZINC001087712497 905782431 /nfs/dbraw/zinc/78/24/31/905782431.db2.gz LBHMUUPDTPDDIX-JKSUJKDBSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168030344 905934996 /nfs/dbraw/zinc/93/49/96/905934996.db2.gz NLPGPHHIMWNUJM-GJZGRUSLSA-N 2 0 279.428 1.675 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001088317995 906886790 /nfs/dbraw/zinc/88/67/90/906886790.db2.gz UQXNKRYIUWABNR-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001100992973 908758448 /nfs/dbraw/zinc/75/84/48/908758448.db2.gz RMZDOQPPJWAMGO-UHFFFAOYSA-N 2 0 291.439 1.370 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001171508206 910808208 /nfs/dbraw/zinc/80/82/08/910808208.db2.gz BOKQWAXSHZDKEW-LSDHHAIUSA-N 2 0 281.444 1.615 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127066278 911263042 /nfs/dbraw/zinc/26/30/42/911263042.db2.gz KZNOJIOXXACOEC-GJZGRUSLSA-N 2 0 281.444 1.920 20 30 CDEDRP C[C@H](CCCC#N)N(CCC[NH3+])CCC[NH+](C)C ZINC001172486706 911690902 /nfs/dbraw/zinc/69/09/02/911690902.db2.gz DDALDIPAVLPXGN-CQSZACIVSA-N 2 0 254.422 1.671 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC001088860578 911992543 /nfs/dbraw/zinc/99/25/43/911992543.db2.gz RLRNVLBGIRIMCO-KGLIPLIRSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@H]1C ZINC001178814709 915663784 /nfs/dbraw/zinc/66/37/84/915663784.db2.gz UXBYQFNFGMKPKJ-ZNMIVQPWSA-N 2 0 299.434 1.821 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001179976044 916099745 /nfs/dbraw/zinc/09/97/45/916099745.db2.gz GOOBAWDPEWDZQH-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001180352285 916275784 /nfs/dbraw/zinc/27/57/84/916275784.db2.gz NWTMYOYZLWTPHF-IYBDPMFKSA-N 2 0 293.455 1.759 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981002 917616228 /nfs/dbraw/zinc/61/62/28/917616228.db2.gz DIGVJKFGNIETMJ-OWCLPIDISA-N 2 0 293.455 1.588 20 30 CDEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001182924005 918200764 /nfs/dbraw/zinc/20/07/64/918200764.db2.gz CLACLNAOAHNQGA-NVXWUHKLSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001183080355 918276875 /nfs/dbraw/zinc/27/68/75/918276875.db2.gz PYXGAPJDFRKERK-OAHLLOKOSA-N 2 0 279.428 1.487 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001183091759 918285335 /nfs/dbraw/zinc/28/53/35/918285335.db2.gz NRMIVVCKAAXFFJ-KRWDZBQOSA-N 2 0 299.418 1.551 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183450583 918502458 /nfs/dbraw/zinc/50/24/58/918502458.db2.gz VUMMFMBURFADKE-KGLIPLIRSA-N 2 0 267.417 1.339 20 30 CDEDRP CC#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001000852029 936541330 /nfs/dbraw/zinc/54/13/30/936541330.db2.gz PWVHKIJTFVFREQ-MRXNPFEDSA-N 2 0 289.423 1.242 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001184629329 919220548 /nfs/dbraw/zinc/22/05/48/919220548.db2.gz XMGZMOKDEBWGRJ-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1C ZINC001185347706 919538268 /nfs/dbraw/zinc/53/82/68/919538268.db2.gz KNBXHTFGVXAEQW-JKSUJKDBSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001185548415 919648238 /nfs/dbraw/zinc/64/82/38/919648238.db2.gz MNRZMNNGWZVQBX-CVEARBPZSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001187328873 920472168 /nfs/dbraw/zinc/47/21/68/920472168.db2.gz MYUQYKIEOWFMKR-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001187921355 920754410 /nfs/dbraw/zinc/75/44/10/920754410.db2.gz HYBJTOBGYJVHHS-MRXNPFEDSA-N 2 0 291.439 1.466 20 30 CDEDRP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001190248243 921932752 /nfs/dbraw/zinc/93/27/52/921932752.db2.gz ZGELUVXRYJSLLK-HRCADAONSA-N 2 0 291.439 1.273 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190370643 921992778 /nfs/dbraw/zinc/99/27/78/921992778.db2.gz IWGMWGJZYAHRDM-LSDHHAIUSA-N 2 0 279.428 1.435 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001128544764 922003010 /nfs/dbraw/zinc/00/30/10/922003010.db2.gz QHJYGNWORPKYMT-CYBMUJFWSA-N 2 0 273.396 1.338 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001099029701 936775947 /nfs/dbraw/zinc/77/59/47/936775947.db2.gz JNIYPWCTZNXWRS-ZOBUZTSGSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001040639116 923041398 /nfs/dbraw/zinc/04/13/98/923041398.db2.gz ZAADOSFIMKWYMJ-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192395680 923073590 /nfs/dbraw/zinc/07/35/90/923073590.db2.gz HQDUIIPYWYOXEC-KGLIPLIRSA-N 2 0 267.417 1.435 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)CCCn2ccnc2C)C1 ZINC001192866355 923280107 /nfs/dbraw/zinc/28/01/07/923280107.db2.gz JFESOHGQKYDYII-HNNXBMFYSA-N 2 0 288.395 1.138 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100873259 936942511 /nfs/dbraw/zinc/94/25/11/936942511.db2.gz ZKKJDYHGRRSJDT-HSBZDZAISA-N 2 0 299.846 1.565 20 30 CDEDRP C#CCN1CCCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001196641903 924948465 /nfs/dbraw/zinc/94/84/65/924948465.db2.gz RQJYKYPWOMMWDN-UHFFFAOYSA-N 2 0 291.439 1.418 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001082559121 924958539 /nfs/dbraw/zinc/95/85/39/924958539.db2.gz UCWLGCAAAXXUCJ-LERXQTSPSA-N 2 0 299.846 1.516 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCCCC)CC1 ZINC001152330892 925114730 /nfs/dbraw/zinc/11/47/30/925114730.db2.gz WQNPWBHQNVDYHT-UHFFFAOYSA-N 2 0 279.428 1.228 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084775798 925421367 /nfs/dbraw/zinc/42/13/67/925421367.db2.gz UWEKYILNYRXIGS-ARFHVFGLSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102059370 937039400 /nfs/dbraw/zinc/03/94/00/937039400.db2.gz MSKUHNVELRPONG-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001200894068 926152498 /nfs/dbraw/zinc/15/24/98/926152498.db2.gz KVYSGODORJESLT-MRXNPFEDSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085593793 926191297 /nfs/dbraw/zinc/19/12/97/926191297.db2.gz ROEIWKHBVHPXDS-GJZGRUSLSA-N 2 0 277.412 1.025 20 30 CDEDRP C#CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001085687254 926284485 /nfs/dbraw/zinc/28/44/85/926284485.db2.gz LSLOAIFXEDLQAQ-HOTGVXAUSA-N 2 0 291.439 1.273 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001103140191 937124846 /nfs/dbraw/zinc/12/48/46/937124846.db2.gz RIRNXPIHOHLXFC-BZUAXINKSA-N 2 0 293.455 1.424 20 30 CDEDRP C=CC[NH+]1CCCO[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001149936516 937211290 /nfs/dbraw/zinc/21/12/90/937211290.db2.gz HIGCJMAVVXHUGU-AWEZNQCLSA-N 2 0 297.443 1.110 20 30 CDEDRP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001108821461 928660631 /nfs/dbraw/zinc/66/06/31/928660631.db2.gz LYLYDWUJCZWXEC-JYJNAYRXSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152148791 937340135 /nfs/dbraw/zinc/34/01/35/937340135.db2.gz RIAWLTILVDXXJW-ZIAGYGMSSA-N 2 0 267.417 1.531 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583708 929798327 /nfs/dbraw/zinc/79/83/27/929798327.db2.gz NQDRKGPSKHZPDJ-KBPBESRZSA-N 2 0 279.428 1.367 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584865 929799024 /nfs/dbraw/zinc/79/90/24/929799024.db2.gz XRISWULTUROXMN-OLZOCXBDSA-N 2 0 267.417 1.530 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135745958 930393681 /nfs/dbraw/zinc/39/36/81/930393681.db2.gz CNSLTZKAKTYUJF-ZIAGYGMSSA-N 2 0 267.417 1.224 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860859 930479878 /nfs/dbraw/zinc/47/98/78/930479878.db2.gz IKFKJTKTIRKSFP-KGLIPLIRSA-N 2 0 267.417 1.224 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135923819 930543331 /nfs/dbraw/zinc/54/33/31/930543331.db2.gz NRBGLCFDQIDGAK-UONOGXRCSA-N 2 0 285.432 1.014 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135996839 930593261 /nfs/dbraw/zinc/59/32/61/930593261.db2.gz WLCLZPPBIIZKIX-GJZGRUSLSA-N 2 0 281.444 1.615 20 30 CDEDRP N#Cc1cc(N[C@@H]([NH3+])CCC[NH3+])nc(C(F)(F)F)c1 ZINC001170897086 930691536 /nfs/dbraw/zinc/69/15/36/930691536.db2.gz CXXLZSSDQWHQAK-SECBINFHSA-N 2 0 273.262 1.408 20 30 CDEDRP N#CC(C#N)c1nc2ccccc2nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170896172 930691665 /nfs/dbraw/zinc/69/16/65/930691665.db2.gz CBCSIMMYQJVTKG-CYBMUJFWSA-N 2 0 295.350 1.196 20 30 CDEDRP C=CCCC[NH+]1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001274964653 931617430 /nfs/dbraw/zinc/61/74/30/931617430.db2.gz SMUPIRRONAXRKL-UHFFFAOYSA-N 2 0 265.445 1.912 20 30 CDEDRP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(C#N)n3)C[C@H]2CC1 ZINC001275605735 931904263 /nfs/dbraw/zinc/90/42/63/931904263.db2.gz NRXANIPIRAYCSW-OKILXGFUSA-N 2 0 270.380 1.727 20 30 CDEDRP C#Cc1ccc(C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)cc1 ZINC001144576559 931908916 /nfs/dbraw/zinc/90/89/16/931908916.db2.gz NEDGBMVYAZOVNN-UHFFFAOYSA-N 2 0 299.418 1.264 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001091204218 932007012 /nfs/dbraw/zinc/00/70/12/932007012.db2.gz AIZMRVHSXHLBTB-UHFFFAOYSA-N 2 0 291.395 1.625 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146701722 932278307 /nfs/dbraw/zinc/27/83/07/932278307.db2.gz OPQHOOQMRCAKNJ-JKSUJKDBSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CCN(CC=C)C(=O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118263705 937609930 /nfs/dbraw/zinc/60/99/30/937609930.db2.gz LBYWAMXUOHRSFE-UHFFFAOYSA-N 2 0 291.439 1.653 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148058024 932644025 /nfs/dbraw/zinc/64/40/25/932644025.db2.gz OTDKNQWTGJMREL-UHFFFAOYSA-N 2 0 262.357 1.043 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001086882647 932837457 /nfs/dbraw/zinc/83/74/57/932837457.db2.gz COVSXDGYKGKFDK-ARFHVFGLSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001114829490 935002008 /nfs/dbraw/zinc/00/20/08/935002008.db2.gz XRTPKLSCTQJGHX-QXSJWSMHSA-N 2 0 293.455 1.729 20 30 CDEDRP CCO[C@@H](CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)C(C)C ZINC000304771354 935088422 /nfs/dbraw/zinc/08/84/22/935088422.db2.gz AAHZOKNTVUPMAI-CABCVRRESA-N 2 0 298.475 1.826 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001096103994 935957204 /nfs/dbraw/zinc/95/72/04/935957204.db2.gz BOWRYPUABCRPBN-PMPSAXMXSA-N 2 0 291.439 1.626 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157886680 938557485 /nfs/dbraw/zinc/55/74/85/938557485.db2.gz KPGNNXXNQVVLOW-ZDUSSCGKSA-N 2 0 287.835 1.708 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158037189 938577571 /nfs/dbraw/zinc/57/75/71/938577571.db2.gz HSQBIFKMJGDPTH-GJZGRUSLSA-N 2 0 279.428 1.533 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158197243 938593298 /nfs/dbraw/zinc/59/32/98/938593298.db2.gz UORBRGPLEHZKBD-GDBMZVCRSA-N 2 0 293.455 1.779 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158420393 938619122 /nfs/dbraw/zinc/61/91/22/938619122.db2.gz ATSMYCNGZASTQL-VXGBXAGGSA-N 2 0 273.808 1.175 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NCCC[NH2+]CCCC=C ZINC001160209875 938775257 /nfs/dbraw/zinc/77/52/57/938775257.db2.gz ZVOQODVRXRKJEM-HNNXBMFYSA-N 2 0 277.412 1.146 20 30 CDEDRP Cc1nc(-n2cc(CC[NH3+])c3c[nH+]ccc32)cnc1C#N ZINC001160949777 938847525 /nfs/dbraw/zinc/84/75/25/938847525.db2.gz DVCVIXPXOJYWDT-UHFFFAOYSA-N 2 0 278.319 1.497 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)N(C)[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC001161060252 938867228 /nfs/dbraw/zinc/86/72/28/938867228.db2.gz AQKHBMCDYUDEOC-BZPMIXESSA-N 2 0 251.374 1.023 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001161563834 938912965 /nfs/dbraw/zinc/91/29/65/938912965.db2.gz KUEBVRNTUNHNFX-UHFFFAOYSA-N 2 0 286.379 1.928 20 30 CDEDRP N#CCc1ccnc(NCCC[NH2+]CCCC[NH3+])c1 ZINC001162292260 938972192 /nfs/dbraw/zinc/97/21/92/938972192.db2.gz MGLMAQWUQVMJTM-UHFFFAOYSA-N 2 0 261.373 1.278 20 30 CDEDRP CC[N@@H+]1CCCN(c2ncc3c(c2C#N)CCC[NH2+]C3)CC1 ZINC001163771487 939327071 /nfs/dbraw/zinc/32/70/71/939327071.db2.gz ZCLWHQYPMVNZPC-UHFFFAOYSA-N 2 0 299.422 1.521 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(N(CC[NH3+])CCO)cc1 ZINC001163840689 939340142 /nfs/dbraw/zinc/34/01/42/939340142.db2.gz ZWIBKVPWCLYLLF-KRWDZBQOSA-N 2 0 289.423 1.767 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165263663 939536676 /nfs/dbraw/zinc/53/66/76/939536676.db2.gz SZOLVRMYOFFTFC-UHFFFAOYSA-N 2 0 267.417 1.390 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166677155 939625370 /nfs/dbraw/zinc/62/53/70/939625370.db2.gz GCEGKEFRBRGMDE-AWEZNQCLSA-N 2 0 267.417 1.390 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166687730 939626951 /nfs/dbraw/zinc/62/69/51/939626951.db2.gz YEWHPZKJLRVMJH-INIZCTEOSA-N 2 0 299.434 1.871 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001166759531 939636680 /nfs/dbraw/zinc/63/66/80/939636680.db2.gz VZFPKTZZTVUXNB-UHFFFAOYSA-N 2 0 253.390 1.000 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001166890950 939646847 /nfs/dbraw/zinc/64/68/47/939646847.db2.gz WZBOWDYZLLRMNC-UHFFFAOYSA-N 2 0 267.417 1.390 20 30 CDEDRP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203327433 939682832 /nfs/dbraw/zinc/68/28/32/939682832.db2.gz YCAGTEODGZJNMZ-HUUCEWRRSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CCCC[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001209260735 940453488 /nfs/dbraw/zinc/45/34/88/940453488.db2.gz DOTANPJMYGEDGL-UHFFFAOYSA-N 2 0 251.418 1.359 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001210285273 940679297 /nfs/dbraw/zinc/67/92/97/940679297.db2.gz ZYEZCRVOTDBFNG-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211125043 940732225 /nfs/dbraw/zinc/73/22/25/940732225.db2.gz BEAYIZQXUFMBEO-INIZCTEOSA-N 2 0 291.439 1.466 20 30 CDEDRP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211371207 940750406 /nfs/dbraw/zinc/75/04/06/940750406.db2.gz MZLZDYWSGLYQCI-ZIAGYGMSSA-N 2 0 267.417 1.339 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214335862 940816120 /nfs/dbraw/zinc/81/61/20/940816120.db2.gz LHWRHGMEVBBXBU-KFWWJZLASA-N 2 0 279.428 1.483 20 30 CDEDRP CC[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000402195639 940890612 /nfs/dbraw/zinc/89/06/12/940890612.db2.gz BTQGRFACSWEVOF-BMFZPTHFSA-N 2 0 273.380 1.651 20 30 CDEDRP CC1(C)C[NH2+]CCc2ccc(O[C@@H]3C[NH2+]C[C@@H]3C#N)cc21 ZINC001218199659 941043136 /nfs/dbraw/zinc/04/31/36/941043136.db2.gz BKNZQROCCOZPOE-XJKSGUPXSA-N 2 0 285.391 1.600 20 30 CDEDRP CC(C)(C#N)c1ccc(NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)cn1 ZINC001218582386 941240736 /nfs/dbraw/zinc/24/07/36/941240736.db2.gz WRAMDOKRNCZEFO-LBPRGKRZSA-N 2 0 298.350 1.114 20 30 CDEDRP Cc1cc(C#N)c(F)cc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001219112631 941309519 /nfs/dbraw/zinc/30/95/19/941309519.db2.gz OQDJVLMUFDWIPL-AWEZNQCLSA-N 2 0 290.342 1.271 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC001221911281 941555288 /nfs/dbraw/zinc/55/52/88/941555288.db2.gz JEFGPTFDWKENRK-CQSZACIVSA-N 2 0 296.459 1.217 20 30 CDEDRP N#Cc1cc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)ccc1F ZINC001222085855 941561471 /nfs/dbraw/zinc/56/14/71/941561471.db2.gz NPTOTXRZYRBWQC-UHFFFAOYSA-N 2 0 288.370 1.225 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001223533348 941684544 /nfs/dbraw/zinc/68/45/44/941684544.db2.gz HTABZYREWNVFMU-INIZCTEOSA-N 2 0 293.455 1.424 20 30 CDEDRP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001231225927 942825299 /nfs/dbraw/zinc/82/52/99/942825299.db2.gz KKUUFNSBAXKTNX-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCC#N ZINC001277950913 944183644 /nfs/dbraw/zinc/18/36/44/944183644.db2.gz AERVERSQDFXFLZ-GASCZTMLSA-N 2 0 264.417 1.390 20 30 CDEDRP CN(C)C1(C[NH2+][C@H]2CC[C@H](C#N)C2)CC[NH+](C)CC1 ZINC001254638430 947566417 /nfs/dbraw/zinc/56/64/17/947566417.db2.gz YHLJEZBXZFPDFI-KBPBESRZSA-N 2 0 264.417 1.294 20 30 CDEDRP CC[C@@H](CC#N)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001255153120 947754994 /nfs/dbraw/zinc/75/49/94/947754994.db2.gz PBPAMTKHUUXETD-ZDUSSCGKSA-N 2 0 252.406 1.294 20 30 CDEDRP N#CCC1CCC([N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001246618954 948350071 /nfs/dbraw/zinc/35/00/71/948350071.db2.gz PIXFNUANFZQSND-CKUJCDMFSA-N 2 0 276.428 1.485 20 30 CDEDRP C#CCOC[C@H](O)C[NH2+]CC1CC[NH+](CCCC)CC1 ZINC001251896771 950930774 /nfs/dbraw/zinc/93/07/74/950930774.db2.gz NGVYIROXYZODNR-MRXNPFEDSA-N 2 0 282.428 1.099 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+][C@H]1CC[C@H]([NH+](CC)CC)CC1 ZINC001252499089 951378964 /nfs/dbraw/zinc/37/89/64/951378964.db2.gz VKQKBTAAWGVJHC-JYJNAYRXSA-N 2 0 284.444 1.793 20 30 CDEDRP C=CCC[C@H](O)C[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001252599121 951494095 /nfs/dbraw/zinc/49/40/95/951494095.db2.gz XLJOJRZIXYXXKH-AWEZNQCLSA-N 2 0 286.416 1.130 20 30 CDEDRP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1CC[C@@H](C#N)CC1 ZINC001253205999 951803456 /nfs/dbraw/zinc/80/34/56/951803456.db2.gz IMJCQFCVVFJKCZ-MJBXVCDLSA-N 2 0 253.390 1.361 20 30 CDEDRP C=C[C@@H](O)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001253577882 951966242 /nfs/dbraw/zinc/96/62/42/951966242.db2.gz QODUQCIBFUBCJA-BBWFWOEESA-N 2 0 294.439 1.214 20 30 CDEDRP N#CCOc1cccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC001326473405 954397765 /nfs/dbraw/zinc/39/77/65/954397765.db2.gz JJOYBDYPQPAXAH-ZFWWWQNUSA-N 2 0 259.353 1.806 20 30 CDEDRP C=CCC[C@H](O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001334336452 959036545 /nfs/dbraw/zinc/03/65/45/959036545.db2.gz CBCIUKSUIJRKMA-AWEZNQCLSA-N 2 0 252.402 1.779 20 30 CDEDRP C[N@@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001336764545 960559909 /nfs/dbraw/zinc/55/99/09/960559909.db2.gz ZJLUJCIYDBWZBS-CQSZACIVSA-N 2 0 286.379 1.428 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC001341284709 963350648 /nfs/dbraw/zinc/35/06/48/963350648.db2.gz MMHHXQPOIWMMRH-AWEZNQCLSA-N 2 0 267.417 1.613 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001341601557 963480388 /nfs/dbraw/zinc/48/03/88/963480388.db2.gz WXIZLPDIJGTMNX-HUUCEWRRSA-N 2 0 281.444 1.764 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001341885308 963571824 /nfs/dbraw/zinc/57/18/24/963571824.db2.gz DJXHOYIZWGUTGY-QBQCOZBMSA-N 2 0 251.374 1.056 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(CC)C1CC[NH2+]CC1 ZINC001342852966 963841268 /nfs/dbraw/zinc/84/12/68/963841268.db2.gz NCWWBDKKMYZAKQ-CYBMUJFWSA-N 2 0 253.390 1.271 20 30 CDEDRP C#CC[NH+]1CCC(OC(=O)[C@@H]2CCCC[N@H+]2CCC)CC1 ZINC001345672841 964778215 /nfs/dbraw/zinc/77/82/15/964778215.db2.gz BTEBGGHUKUCBDB-INIZCTEOSA-N 2 0 292.423 1.892 20 30 CDEDRP C#CCNCC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC001353712474 968178122 /nfs/dbraw/zinc/17/81/22/968178122.db2.gz DQOAHEGFRXMKRV-UHFFFAOYSA-N 2 0 285.391 1.486 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100621319 968811065 /nfs/dbraw/zinc/81/10/65/968811065.db2.gz XIRAIOKJTFWRDU-UHFFFAOYSA-N 2 0 267.417 1.389 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001100732058 969035759 /nfs/dbraw/zinc/03/57/59/969035759.db2.gz ROOVBYNLQMDBBQ-UHFFFAOYSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NC2CC3(CC([NH3+])C3)C2)CC1 ZINC001356622146 969445194 /nfs/dbraw/zinc/44/51/94/969445194.db2.gz QIZXRBZXBHILKF-UHFFFAOYSA-N 2 0 292.427 1.206 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133042249 1163540257 /nfs/dbraw/zinc/54/02/57/1163540257.db2.gz BRCTVMXMMKHJQW-UHFFFAOYSA-N 2 0 269.433 1.780 20 30 CDEDRP CC#CC[C@@H]([NH3+])C(=O)N(CCC)CC[NH+]1CCCC1 ZINC001574963852 1171065466 /nfs/dbraw/zinc/06/54/66/1171065466.db2.gz YLHXGWDZGXDUCL-CQSZACIVSA-N 2 0 265.401 1.062 20 30 CDEDRP CCN(CCC[NH+](C)C)Cc1cnc2c(C#N)cnn2c1 ZINC000564986232 365547067 /nfs/dbraw/zinc/54/70/67/365547067.db2.gz PEWCBYSGQIWOKO-UHFFFAOYSA-N 2 0 286.383 1.375 20 30 CDEDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C2)CC1 ZINC000591736728 342645031 /nfs/dbraw/zinc/64/50/31/342645031.db2.gz KLUCYJFKACIUNH-HUUCEWRRSA-N 2 0 289.427 1.188 20 30 CDEDRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CC[C@H](C#N)C2)CC1(C)C ZINC000442877702 362100114 /nfs/dbraw/zinc/10/01/14/362100114.db2.gz ROKYXLUTICKIQY-UONOGXRCSA-N 2 0 264.417 1.294 20 30 CDEDRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)ccn1 ZINC000442816114 362093009 /nfs/dbraw/zinc/09/30/09/362093009.db2.gz DEJDHAVHHOZDIH-DZGCQCFKSA-N 2 0 288.395 1.804 20 30 CDEDRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)CC[N@@H+]1C ZINC000598721915 343884193 /nfs/dbraw/zinc/88/41/93/343884193.db2.gz XVNQUOPFXVVJCU-FRRDWIJNSA-N 2 0 253.390 1.359 20 30 CDEDRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598722609 343884317 /nfs/dbraw/zinc/88/43/17/343884317.db2.gz BXGBIRSXFCNAFJ-GJZGRUSLSA-N 2 0 281.444 1.855 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000352043378 362798602 /nfs/dbraw/zinc/79/86/02/362798602.db2.gz CSGRZOSBLUKHCV-OAHLLOKOSA-N 2 0 251.418 1.664 20 30 CDEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)CN1CC[NH+](C)CC1 ZINC000105439684 186056777 /nfs/dbraw/zinc/05/67/77/186056777.db2.gz VZEUQOSIJHJJLU-HNNXBMFYSA-N 2 0 286.423 1.531 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cccc(O)c1 ZINC000264070060 362956707 /nfs/dbraw/zinc/95/67/07/362956707.db2.gz CWPHDJMQSAXTCP-CQSZACIVSA-N 2 0 290.411 1.323 20 30 CDEDRP CN(C)C(=[NH+]Cc1ccccc1OCC[NH+](C)C)N(C)C ZINC000264080886 362960587 /nfs/dbraw/zinc/96/05/87/362960587.db2.gz HFUZUZYZFQVURQ-UHFFFAOYSA-N 2 0 292.427 1.606 20 30 CDEDRP COc1ccccc1CNC(=[NH2+])NCCC[N@H+](C)C(C)C ZINC000264092821 362965332 /nfs/dbraw/zinc/96/53/32/362965332.db2.gz LLCUITRQXIMHLW-UHFFFAOYSA-N 2 0 292.427 1.830 20 30 CDEDRP CC[NH+](CC)[C@@H](C)CNC(NCc1ccco1)=[NH+]C ZINC000264087776 362962733 /nfs/dbraw/zinc/96/27/33/362962733.db2.gz VZMGOKBHEWDFLJ-LBPRGKRZSA-N 2 0 266.389 1.675 20 30 CDEDRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])NCCOC)c1 ZINC000264114848 362970583 /nfs/dbraw/zinc/97/05/83/362970583.db2.gz SCBKVERBKXVBGB-UHFFFAOYSA-N 2 0 278.400 1.189 20 30 CDEDRP CC(C)[C@H](C[NH+]=C(N(C)C)N(C)C)[NH+]1CCCC1 ZINC000072272428 356717538 /nfs/dbraw/zinc/71/75/38/356717538.db2.gz QQOJSFWCKUHTLZ-ZDUSSCGKSA-N 2 0 254.422 1.586 20 30 CDEDRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC000574755546 295049437 /nfs/dbraw/zinc/04/94/37/295049437.db2.gz URNDWYDQYYOXKX-GFCCVEGCSA-N 2 0 279.359 1.926 20 30 CDEDRP C[C@H](CCNC1=[NH+]C[C@@H](C)N1)[N@H+](C)Cc1ccccc1 ZINC000285041658 377739253 /nfs/dbraw/zinc/73/92/53/377739253.db2.gz KOABOAUQECMVDU-ZIAGYGMSSA-N 2 0 274.412 1.834 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C#N)c1 ZINC000104165466 390485742 /nfs/dbraw/zinc/48/57/42/390485742.db2.gz OUUVOQLSXWBXDG-OAHLLOKOSA-N 2 0 285.395 1.447 20 30 CDEDRP C=CCOCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000338942668 391234720 /nfs/dbraw/zinc/23/47/20/391234720.db2.gz UQBQHEXDIJFQLT-UHFFFAOYSA-N 2 0 282.428 1.623 20 30 CDEDRP CC#CC[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000339759563 391349966 /nfs/dbraw/zinc/34/99/66/391349966.db2.gz FQSMTVPOHCNPQR-UHFFFAOYSA-N 2 0 251.418 1.358 20 30 CDEDRP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)C1=O ZINC000647977628 391375024 /nfs/dbraw/zinc/37/50/24/391375024.db2.gz FITPHFJOZJNAMJ-XHSDSOJGSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCN1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647788610 391471469 /nfs/dbraw/zinc/47/14/69/391471469.db2.gz NCMPAKIOTPFTAZ-OFQRWUPVSA-N 2 0 263.429 1.615 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](C)C[NH3+])C(C)C ZINC000285806913 391721195 /nfs/dbraw/zinc/72/11/95/391721195.db2.gz QYFFMOSQXPQFKJ-ZIAGYGMSSA-N 2 0 267.417 1.396 20 30 CDEDRP C#CCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285856958 391721898 /nfs/dbraw/zinc/72/18/98/391721898.db2.gz IIMWYYPKKOTLMU-LJQANCHMSA-N 2 0 297.446 1.902 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1COc2ccccc21 ZINC000262663776 391809243 /nfs/dbraw/zinc/80/92/43/391809243.db2.gz MNUPOTDSRBWUOF-OCCSQVGLSA-N 2 0 288.395 1.509 20 30 CDEDRP C[C@@H]1C[NH+]=C(NC[C@@H](c2ccccc2)[NH+]2CCCC2)N1 ZINC000262683660 391812803 /nfs/dbraw/zinc/81/28/03/391812803.db2.gz XKJRFDICIKEKOR-HIFRSBDPSA-N 2 0 272.396 1.761 20 30 CDEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000193301427 393296656 /nfs/dbraw/zinc/29/66/56/393296656.db2.gz ALVHTOCYONNBKO-OWCLPIDISA-N 2 0 278.444 1.684 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001665465655 1173000515 /nfs/dbraw/zinc/00/05/15/1173000515.db2.gz QPIQIDWDGOKDEQ-AWEZNQCLSA-N 2 0 279.428 1.627 20 30 CDEDRP C[NH+](C)Cc1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000570925809 327635948 /nfs/dbraw/zinc/63/59/48/327635948.db2.gz KSONJFKPGWPEHG-AWEZNQCLSA-N 2 0 274.368 1.708 20 30 CDEDRP Cc1ccc(NC(=[NH2+])NC[C@@H]2C[N@@H+](C)CCN2C)cc1C ZINC000267395239 328177926 /nfs/dbraw/zinc/17/79/26/328177926.db2.gz DXKCINRIRXZDRW-OAHLLOKOSA-N 2 0 289.427 1.276 20 30 CDEDRP C[C@@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)N1CC[NH+](C)CC1 ZINC000185822314 329329913 /nfs/dbraw/zinc/32/99/13/329329913.db2.gz ZYCJCKYQBAYGKL-SOUVJXGZSA-N 2 0 264.417 1.294 20 30 CDEDRP C[C@H]1CCC[C@](CNC2=[NH+]CCN2C)([NH+](C)C)C1 ZINC000261588686 329971950 /nfs/dbraw/zinc/97/19/50/329971950.db2.gz VVYIHYKGKFJPKZ-JSGCOSHPSA-N 2 0 252.406 1.388 20 30 CDEDRP CSC1(C[NH+]=C(N(C)C)N(C)C)CC[NH+](C)CC1 ZINC000262263958 330003201 /nfs/dbraw/zinc/00/32/01/330003201.db2.gz FIBFTKJYZFNBBH-UHFFFAOYSA-N 2 0 272.462 1.293 20 30 CDEDRP C[NH+]=C(NC1CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262496252 330017571 /nfs/dbraw/zinc/01/75/71/330017571.db2.gz WNFAYUQAFUMOLY-CYBMUJFWSA-N 2 0 250.390 1.284 20 30 CDEDRP CNC(NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)=[NH+]C ZINC000262617840 330023058 /nfs/dbraw/zinc/02/30/58/330023058.db2.gz BZCFNWZTKVUAIA-AAEUAGOBSA-N 2 0 280.441 1.926 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCC2([NH+]3CCSCC3)CCCCC2)N1 ZINC000262668402 330025490 /nfs/dbraw/zinc/02/54/90/330025490.db2.gz PVLOOMZJNCHQBM-CYBMUJFWSA-N 2 0 296.484 1.675 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@H](OC)C1(C)C ZINC000262774333 330030647 /nfs/dbraw/zinc/03/06/47/330030647.db2.gz HYJYHEUCFZFQAQ-JHJVBQTASA-N 2 0 282.432 1.189 20 30 CDEDRP C[NH+]=C(NCC[NH2+]C(C)(C)C)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262830776 330034724 /nfs/dbraw/zinc/03/47/24/330034724.db2.gz ZVJRJAXBNDXYIT-XQQFMLRXSA-N 2 0 296.459 1.353 20 30 CDEDRP CC1(C#N)CCC([NH2+]CCCN2CC[NH2+]CC2)CC1 ZINC000423187737 330175614 /nfs/dbraw/zinc/17/56/14/330175614.db2.gz PIZOLOGYLXNWDA-UHFFFAOYSA-N 2 0 264.417 1.344 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423372452 330195259 /nfs/dbraw/zinc/19/52/59/330195259.db2.gz GJMDIMSWAIVEOB-CQSZACIVSA-N 2 0 279.428 1.531 20 30 CDEDRP C[NH+](C)C1(CNC(=O)[C@H]([NH3+])CCCC#N)CCCCC1 ZINC000424084456 330222522 /nfs/dbraw/zinc/22/25/22/330222522.db2.gz YLQJAOWDNGRGHP-CYBMUJFWSA-N 2 0 280.416 1.388 20 30 CDEDRP C[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C[NH+]1CCCCC1 ZINC000424126450 330258966 /nfs/dbraw/zinc/25/89/66/330258966.db2.gz BTFRJHWZROWLET-UONOGXRCSA-N 2 0 280.416 1.246 20 30 CDEDRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424142992 330286632 /nfs/dbraw/zinc/28/66/32/330286632.db2.gz JFTPRDQOJSAFAS-UONOGXRCSA-N 2 0 280.416 1.198 20 30 CDEDRP N#C[C@@H]1CC[C@@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000429715935 330553095 /nfs/dbraw/zinc/55/30/95/330553095.db2.gz OHUWKWLZJJMJKP-HZPDHXFCSA-N 2 0 277.412 1.723 20 30 CDEDRP CC#CCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000155328058 330675887 /nfs/dbraw/zinc/67/58/87/330675887.db2.gz QCSHKSQRSWBHIV-IRXDYDNUSA-N 2 0 277.456 1.890 20 30 CDEDRP C#CCN(C)CCC[NH2+][C@H](C)Cc1cccc(OC)n1 ZINC000491073464 332147268 /nfs/dbraw/zinc/14/72/68/332147268.db2.gz ZNAFVKNODHVJIO-CQSZACIVSA-N 2 0 275.396 1.566 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000567669147 334749634 /nfs/dbraw/zinc/74/96/34/334749634.db2.gz QDQBTONMYTVLCY-ZDUSSCGKSA-N 2 0 272.352 1.292 20 30 CDEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001752642055 1159837675 /nfs/dbraw/zinc/83/76/75/1159837675.db2.gz NKWBPJNAQAAHEM-VGWMRTNUSA-N 2 0 289.423 1.263 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417545881 482595473 /nfs/dbraw/zinc/59/54/73/482595473.db2.gz YLJQVIGDXYYNME-UKRRQHHQSA-N 2 0 294.443 1.596 20 30 CDEDRP C=CC[NH2+][C@@H](C)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001752913202 1161139261 /nfs/dbraw/zinc/13/92/61/1161139261.db2.gz INSGSCHMIOPRDB-HOCLYGCPSA-N 2 0 289.423 1.960 20 30 CDEDRP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001734298994 1183719534 /nfs/dbraw/zinc/71/95/34/1183719534.db2.gz RNSAAEFRBMSCOU-HUUCEWRRSA-N 2 0 279.428 1.177 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001113019217 1162075559 /nfs/dbraw/zinc/07/55/59/1162075559.db2.gz JVLXGPBSRMPPTR-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000049557002 524165701 /nfs/dbraw/zinc/16/57/01/524165701.db2.gz OCMUUHCKWNLNQW-DOMZBBRYSA-N 2 0 261.369 1.521 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000353669137 527464378 /nfs/dbraw/zinc/46/43/78/527464378.db2.gz BPNVJWQFGZGPHW-HNNXBMFYSA-N 2 0 281.444 1.923 20 30 CDEDRP CC[N@@H+]1CCC(=NNCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000741461644 576560261 /nfs/dbraw/zinc/56/02/61/576560261.db2.gz NHBDARIQFKBLHU-AWEZNQCLSA-N 2 0 266.433 1.780 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000948240484 613162114 /nfs/dbraw/zinc/16/21/14/613162114.db2.gz GMVCGDAAVABFAJ-CABCVRRESA-N 2 0 277.412 1.027 20 30 CDEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000969971061 613299122 /nfs/dbraw/zinc/29/91/22/613299122.db2.gz WMQQLXUFAFHDEU-HIFRSBDPSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000981311508 613347416 /nfs/dbraw/zinc/34/74/16/613347416.db2.gz NDSCLDCLXAOULX-HZPDHXFCSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000970800455 613348898 /nfs/dbraw/zinc/34/88/98/613348898.db2.gz PGNIHNNVKIOJTM-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000980840276 613496067 /nfs/dbraw/zinc/49/60/67/613496067.db2.gz WZNNSOXFRIBICS-CQSZACIVSA-N 2 0 265.401 1.191 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000947684590 613596859 /nfs/dbraw/zinc/59/68/59/613596859.db2.gz JBAFVGQUCJZYRL-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000943755332 613781399 /nfs/dbraw/zinc/78/13/99/613781399.db2.gz CCEKPBOPDDWBAO-CVEARBPZSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000974832657 613829036 /nfs/dbraw/zinc/82/90/36/613829036.db2.gz XZGQWSZUHMXMNB-HNNXBMFYSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000981414845 613872792 /nfs/dbraw/zinc/87/27/92/613872792.db2.gz PNYPAASQAPLHKE-HOTGVXAUSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CC2(CCN2Cc2ccccc2)C1 ZINC000910779884 618499615 /nfs/dbraw/zinc/49/96/15/618499615.db2.gz FPHDMVBQPUIQTK-UHFFFAOYSA-N 2 0 299.418 1.591 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000913517556 630522395 /nfs/dbraw/zinc/52/23/95/630522395.db2.gz GLWBIZRSEQIODT-KRWDZBQOSA-N 2 0 299.418 1.332 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001753893411 1158488047 /nfs/dbraw/zinc/48/80/47/1158488047.db2.gz AUUKXMBGBNCCLX-HUUCEWRRSA-N 2 0 291.439 1.226 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129442785 1162474857 /nfs/dbraw/zinc/47/48/57/1162474857.db2.gz GDLCOSDZBLVLSU-OAHLLOKOSA-N 2 0 281.444 1.779 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C(C)(C)n1cnc(C)c1 ZINC001130164940 1162560126 /nfs/dbraw/zinc/56/01/26/1162560126.db2.gz IXECWRZDSXCVDX-UHFFFAOYSA-N 2 0 278.400 1.599 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130190249 1162566410 /nfs/dbraw/zinc/56/64/10/1162566410.db2.gz XYEHKJGZIBKUSP-GJZGRUSLSA-N 2 0 279.428 1.675 20 30 CDEDRP C=C(C)CN1CC[C@@]2(CCC[N@@H+]2CCn2ccnc2)C1=O ZINC001273785082 1164419710 /nfs/dbraw/zinc/41/97/10/1164419710.db2.gz NVWRKCNGBSINMZ-INIZCTEOSA-N 2 0 288.395 1.526 20 30 CDEDRP C#CC[C@@]1(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CCC[NH2+]1 ZINC001574516391 1170989990 /nfs/dbraw/zinc/98/99/90/1170989990.db2.gz FNWZRQNICLGHLT-PBHICJAKSA-N 2 0 291.439 1.369 20 30 CDEDRP C=C(CC[NH+](C)C)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC001574848624 1171024571 /nfs/dbraw/zinc/02/45/71/1171024571.db2.gz BQUCQCNDXMXPQH-UHFFFAOYSA-N 2 0 289.423 1.872 20 30 CDEDRP Cc1ccc(NC(=[NH2+])NCCN2CCC[N@@H+](C)CC2)cc1 ZINC000104175072 1174691951 /nfs/dbraw/zinc/69/19/51/1174691951.db2.gz BENUFNRAFYLABC-UHFFFAOYSA-N 2 0 289.427 1.359 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001715355979 1179639666 /nfs/dbraw/zinc/63/96/66/1179639666.db2.gz OTSIYCCEIPXSPS-UONOGXRCSA-N 2 0 267.417 1.483 20 30 CDEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CCCC1 ZINC001716818656 1180424243 /nfs/dbraw/zinc/42/42/43/1180424243.db2.gz HUFYPSYLRAXLSC-HZPDHXFCSA-N 2 0 293.455 1.615 20 30 CDEDRP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001731372605 1182343241 /nfs/dbraw/zinc/34/32/41/1182343241.db2.gz PWGVJWCTYMFZBS-HOTGVXAUSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH2+][C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001752490322 1184869998 /nfs/dbraw/zinc/86/99/98/1184869998.db2.gz KCVCMFRLTDFGIR-MRXNPFEDSA-N 2 0 293.455 1.777 20 30 CDEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001752642054 1184887749 /nfs/dbraw/zinc/88/77/49/1184887749.db2.gz NKWBPJNAQAAHEM-KLHDSHLOSA-N 2 0 289.423 1.263 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001752842207 1184928653 /nfs/dbraw/zinc/92/86/53/1184928653.db2.gz VSLFQJHLSRRXSU-HUUCEWRRSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001753130945 1185078238 /nfs/dbraw/zinc/07/82/38/1185078238.db2.gz JKTXKVIRUVURTD-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001753154633 1185090954 /nfs/dbraw/zinc/09/09/54/1185090954.db2.gz KTIPKSSWRSRPQF-OAHLLOKOSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001753327754 1185157332 /nfs/dbraw/zinc/15/73/32/1185157332.db2.gz HUDRHJIIOUMELE-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001753359813 1185167921 /nfs/dbraw/zinc/16/79/21/1185167921.db2.gz LYTJBUZAIARNHF-CQSZACIVSA-N 2 0 267.417 1.293 20 30 CDEDRP C=CCCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001753403020 1185189084 /nfs/dbraw/zinc/18/90/84/1185189084.db2.gz KAYCBCJXENOMEX-INIZCTEOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CCC ZINC001753426826 1185198812 /nfs/dbraw/zinc/19/88/12/1185198812.db2.gz RMKIRDVOXGWZEE-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP C#CCC[NH2+]C[C@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001753702493 1185309290 /nfs/dbraw/zinc/30/92/90/1185309290.db2.gz WZADDYRBYMMNEZ-ZDUSSCGKSA-N 2 0 298.390 1.716 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001754494630 1185641500 /nfs/dbraw/zinc/64/15/00/1185641500.db2.gz VZJJVHCRWADEMP-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001754602877 1185679798 /nfs/dbraw/zinc/67/97/98/1185679798.db2.gz CLKQYVPDJBZPBF-HUUCEWRRSA-N 2 0 281.444 1.872 20 30 CDEDRP C=CC[NH2+][C@H](CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001755348894 1185925516 /nfs/dbraw/zinc/92/55/16/1185925516.db2.gz KULMVMVMSRAPPE-HZPDHXFCSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001755368118 1185930274 /nfs/dbraw/zinc/93/02/74/1185930274.db2.gz NGYDQFOJRZWTOZ-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001755416320 1185946563 /nfs/dbraw/zinc/94/65/63/1185946563.db2.gz RBKYROWMLZJIJB-CYBMUJFWSA-N 2 0 267.417 1.339 20 30 CDEDRP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001755587453 1186003591 /nfs/dbraw/zinc/00/35/91/1186003591.db2.gz DEJDZENDHPACBO-UONOGXRCSA-N 2 0 267.417 1.482 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001755665528 1186029420 /nfs/dbraw/zinc/02/94/20/1186029420.db2.gz XWCXGCDKAOPTHA-OLZOCXBDSA-N 2 0 253.390 1.093 20 30 CDEDRP N#Cc1cccc([C@@H](O)C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000402137933 1186438216 /nfs/dbraw/zinc/43/82/16/1186438216.db2.gz JMKKJAYFFUEKDM-HIFRSBDPSA-N 2 0 259.353 1.262 20 30 CDEDRP COCC[N@H+](C)CCCNC(=[NH2+])Nc1ccc(C)cc1 ZINC000303911430 1186580906 /nfs/dbraw/zinc/58/09/06/1186580906.db2.gz ZPHNFHKXNBEWTE-UHFFFAOYSA-N 2 0 278.400 1.690 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001184574911 1164359775 /nfs/dbraw/zinc/35/97/75/1164359775.db2.gz AGYKWCGJMOVUQA-CABCVRRESA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034037388 796607797 /nfs/dbraw/zinc/60/77/97/796607797.db2.gz CODSUDZAQLLIGM-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001052498934 796780300 /nfs/dbraw/zinc/78/03/00/796780300.db2.gz KVBMOKDYPWLKJV-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001000186576 796783361 /nfs/dbraw/zinc/78/33/61/796783361.db2.gz UQDGJPXPLJSQAV-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001032455978 796830076 /nfs/dbraw/zinc/83/00/76/796830076.db2.gz GWWFBVKEHBMWMJ-PMPSAXMXSA-N 2 0 291.439 1.722 20 30 CDEDRP C=C(Cl)CN1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033662242 796860755 /nfs/dbraw/zinc/86/07/55/796860755.db2.gz PLFNEJDMAAPGSZ-OLZOCXBDSA-N 2 0 285.819 1.223 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001031765016 796892973 /nfs/dbraw/zinc/89/29/73/796892973.db2.gz RSLBEIRLNFRIDE-UHFFFAOYSA-N 2 0 291.439 1.487 20 30 CDEDRP C#CCN(C)CCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000327960031 796934687 /nfs/dbraw/zinc/93/46/87/796934687.db2.gz CFXZQGBYCMOLOP-CQSZACIVSA-N 2 0 251.418 1.261 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC(C)C ZINC000303877758 797031271 /nfs/dbraw/zinc/03/12/71/797031271.db2.gz FPFDTRWNBVAGBM-CYBMUJFWSA-N 2 0 254.422 1.811 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001074695128 797032276 /nfs/dbraw/zinc/03/22/76/797032276.db2.gz GQKGOLNHQZMETB-KKUMJFAQSA-N 2 0 279.428 1.626 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@@H]1CCCCO1 ZINC000305817385 797062081 /nfs/dbraw/zinc/06/20/81/797062081.db2.gz AJUIANXZCCCRHN-KGLIPLIRSA-N 2 0 282.432 1.334 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001007491992 797190247 /nfs/dbraw/zinc/19/02/47/797190247.db2.gz KOQVLGYNMMTUQR-HOTGVXAUSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001043882439 797249040 /nfs/dbraw/zinc/24/90/40/797249040.db2.gz QUWLSOCKOZLMGG-UKRRQHHQSA-N 2 0 279.428 1.293 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+]1CCC[C@H]1C ZINC001049722134 797340256 /nfs/dbraw/zinc/34/02/56/797340256.db2.gz IGNMREPYESNEOZ-BZUAXINKSA-N 2 0 291.439 1.722 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001054905308 797358194 /nfs/dbraw/zinc/35/81/94/797358194.db2.gz CTTHIHDMAKJOQE-WFASDCNBSA-N 2 0 284.363 1.570 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031669652 797760457 /nfs/dbraw/zinc/76/04/57/797760457.db2.gz QHYSOAOOAGKFTJ-CVEARBPZSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000989449531 797799480 /nfs/dbraw/zinc/79/94/80/797799480.db2.gz IPDVYJKDCYNVJA-ZIAGYGMSSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cnc2C)[C@@H]1C ZINC000987417194 797844963 /nfs/dbraw/zinc/84/49/63/797844963.db2.gz SIJVEUXPWOQGAN-NEPJUHHUSA-N 2 0 296.802 1.592 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996516253 797849063 /nfs/dbraw/zinc/84/90/63/797849063.db2.gz YQHYWKPAXBHNMD-CABCVRRESA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997180397 797868095 /nfs/dbraw/zinc/86/80/95/797868095.db2.gz QOWIKRDEAUXMAR-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001018961426 797882162 /nfs/dbraw/zinc/88/21/62/797882162.db2.gz DFTGQUZMLHJMPA-HOTGVXAUSA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001014722305 797893103 /nfs/dbraw/zinc/89/31/03/797893103.db2.gz LYZKLDMMFIVFKM-HZPDHXFCSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CCC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000883186971 797937136 /nfs/dbraw/zinc/93/71/36/797937136.db2.gz CVLZLYYDANBPBD-IXDOHACOSA-N 2 0 295.471 1.726 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(C)C)C1 ZINC000998927259 798000402 /nfs/dbraw/zinc/00/04/02/798000402.db2.gz DOGZLFFUMIZHGA-GPANFISMSA-N 2 0 291.439 1.319 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001027789682 798045242 /nfs/dbraw/zinc/04/52/42/798045242.db2.gz JWMDCBIAMTXNGT-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001566629287 1168363543 /nfs/dbraw/zinc/36/35/43/1168363543.db2.gz XLJATYQDQYDEOD-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001088980182 912425150 /nfs/dbraw/zinc/42/51/50/912425150.db2.gz ACNAKCXRZUCMTA-PMPSAXMXSA-N 2 0 293.455 1.873 20 30 CDEDRP C[N@H+](CCO)CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC001173593879 912639123 /nfs/dbraw/zinc/63/91/23/912639123.db2.gz XUFLLTOYJXYFSG-UHFFFAOYSA-N 2 0 253.390 1.363 20 30 CDEDRP C=CCCN1CC(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001030825836 912817215 /nfs/dbraw/zinc/81/72/15/912817215.db2.gz QESGWNLHIXIQNA-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175271382 913523398 /nfs/dbraw/zinc/52/33/98/913523398.db2.gz ARKQILYEVUTFEU-HNNXBMFYSA-N 2 0 295.471 1.862 20 30 CDEDRP N#Cc1ccc([C@@H](O)C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000402159418 894154329 /nfs/dbraw/zinc/15/43/29/894154329.db2.gz PKLLLLAZBABMSI-HNNXBMFYSA-N 2 0 259.353 1.262 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001039040125 894210801 /nfs/dbraw/zinc/21/08/01/894210801.db2.gz NYYVJGCZNDSFTA-QGZVFWFLSA-N 2 0 299.418 1.576 20 30 CDEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CCCCCC ZINC001114984746 894488766 /nfs/dbraw/zinc/48/87/66/894488766.db2.gz MPNPQKYGNPFQPP-QLPKVWCKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001020676102 894522241 /nfs/dbraw/zinc/52/22/41/894522241.db2.gz RHFADMKOLJEBQZ-KKUMJFAQSA-N 2 0 279.428 1.672 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001167237199 894932197 /nfs/dbraw/zinc/93/21/97/894932197.db2.gz WZLCSAPVKPVQMF-LSDHHAIUSA-N 2 0 291.439 1.084 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001022109900 896097007 /nfs/dbraw/zinc/09/70/07/896097007.db2.gz WJQURCMWLPQNPO-LJISPDSOSA-N 2 0 279.428 1.530 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203351628 914170661 /nfs/dbraw/zinc/17/06/61/914170661.db2.gz YFBRNONUSIYTRC-OLZOCXBDSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023750888 897792125 /nfs/dbraw/zinc/79/21/25/897792125.db2.gz ZBDIPVNUUYXBIV-LSDHHAIUSA-N 2 0 279.428 1.342 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC ZINC001024486662 898081338 /nfs/dbraw/zinc/08/13/38/898081338.db2.gz FHWMFAKZFSPNRT-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001104690286 898889170 /nfs/dbraw/zinc/88/91/70/898889170.db2.gz CGVNQGZWNHLKMG-KFWWJZLASA-N 2 0 279.428 1.034 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC(C)C)CC1 ZINC001176926444 914358297 /nfs/dbraw/zinc/35/82/97/914358297.db2.gz MQMZPYITVDQHNQ-UHFFFAOYSA-N 2 0 279.428 1.084 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCCC)CC1 ZINC001176925850 914358583 /nfs/dbraw/zinc/35/85/83/914358583.db2.gz CMRBMQLLJVPQPS-UHFFFAOYSA-N 2 0 279.428 1.228 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176992463 914420254 /nfs/dbraw/zinc/42/02/54/914420254.db2.gz QABIXKBUBFOLJO-CQSZACIVSA-N 2 0 267.417 1.533 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176998915 914423567 /nfs/dbraw/zinc/42/35/67/914423567.db2.gz LRWOGEWMHAWOLH-OAHLLOKOSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027984186 901114190 /nfs/dbraw/zinc/11/41/90/901114190.db2.gz LIBPJZBBFGJVPA-AWEZNQCLSA-N 2 0 296.374 1.470 20 30 CDEDRP N#CC1(c2ccnc(NC(=[NH2+])NCCCC[NH3+])c2)CC1 ZINC001167880217 901620616 /nfs/dbraw/zinc/62/06/16/901620616.db2.gz CDJVNPQRBANDCR-UHFFFAOYSA-N 2 0 272.356 1.312 20 30 CDEDRP C[NH+]=C(NC[C@]1(C)CCOC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261704629 902293675 /nfs/dbraw/zinc/29/36/75/902293675.db2.gz GNIJJDKEMLBMDF-BJJXKVORSA-N 2 0 294.443 1.061 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001028537085 902590698 /nfs/dbraw/zinc/59/06/98/902590698.db2.gz HARUORFMJKFDMC-HZPDHXFCSA-N 2 0 291.439 1.321 20 30 CDEDRP C[NH+]=C(NCC(C)(C)SC)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261834042 903408887 /nfs/dbraw/zinc/40/88/87/903408887.db2.gz VTPSGKKEOYZFJK-WCQYABFASA-N 2 0 298.500 1.776 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001270175309 904416003 /nfs/dbraw/zinc/41/60/03/904416003.db2.gz YHXNNGVHPHAVNQ-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])N2CCCCC2)CC1 ZINC000303902536 906681737 /nfs/dbraw/zinc/68/17/37/906681737.db2.gz XVTWMTCITHCOOF-HNNXBMFYSA-N 2 0 295.475 1.061 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189041194 921260440 /nfs/dbraw/zinc/26/04/40/921260440.db2.gz OEMXPFPHSRTONB-UONOGXRCSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000989113467 908670660 /nfs/dbraw/zinc/67/06/60/908670660.db2.gz SXYNZMXFBMMKPC-GXTWGEPZSA-N 2 0 284.363 1.713 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000989606794 908951379 /nfs/dbraw/zinc/95/13/79/908951379.db2.gz VBFKCVRJSRQBNF-GJZGRUSLSA-N 2 0 279.428 1.483 20 30 CDEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092936819 909554934 /nfs/dbraw/zinc/55/49/34/909554934.db2.gz JPVVYQWUYJJJRT-GDBMZVCRSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC)C[C@H]2C)CC1 ZINC001093224497 909703256 /nfs/dbraw/zinc/70/32/56/909703256.db2.gz ZFVIZFMOLCJLTH-GDBMZVCRSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001189668152 921593430 /nfs/dbraw/zinc/59/34/30/921593430.db2.gz KKKUSMRBDXJUOG-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C[C@H](CCCC#N)N1CC[NH+](CCCC[NH3+])CC1 ZINC001172487454 911690579 /nfs/dbraw/zinc/69/05/79/911690579.db2.gz BFWNVORCAUYVMB-CQSZACIVSA-N 2 0 252.406 1.425 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033079912 921705439 /nfs/dbraw/zinc/70/54/39/921705439.db2.gz ADQIMHBYDBUIAS-CVEARBPZSA-N 2 0 291.439 1.437 20 30 CDEDRP C[C@H](CNC(=[NH2+])Nc1ccccn1)C[NH+]1CCCCC1 ZINC000170908882 912094594 /nfs/dbraw/zinc/09/45/94/912094594.db2.gz KFJWFEMYAGEBHQ-CYBMUJFWSA-N 2 0 275.400 1.930 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)[C@H]1C ZINC001179239026 915781025 /nfs/dbraw/zinc/78/10/25/915781025.db2.gz MOTNSFWWLDKRSK-GJZGRUSLSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C ZINC001179538368 915879978 /nfs/dbraw/zinc/87/99/78/915879978.db2.gz BBKCVPOHLHHPOR-KKUMJFAQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180139061 916152040 /nfs/dbraw/zinc/15/20/40/916152040.db2.gz XSUNMJGFDIRYMK-MJBXVCDLSA-N 2 0 265.401 1.093 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127701305 917357944 /nfs/dbraw/zinc/35/79/44/917357944.db2.gz NKJPNCFWPGGTCA-UONOGXRCSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032026197 917602887 /nfs/dbraw/zinc/60/28/87/917602887.db2.gz AINWTIWLQBBKFQ-MRXNPFEDSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001097975750 936485043 /nfs/dbraw/zinc/48/50/43/936485043.db2.gz BOWRYPUABCRPBN-OAGGEKHMSA-N 2 0 291.439 1.626 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996301204 918244114 /nfs/dbraw/zinc/24/41/14/918244114.db2.gz SDWMSAYTSBXODP-CABCVRRESA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996463520 918263706 /nfs/dbraw/zinc/26/37/06/918263706.db2.gz HGEJVDZRLLUNNF-OAHLLOKOSA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996608022 918317921 /nfs/dbraw/zinc/31/79/21/918317921.db2.gz AHHKSXUTULOUEM-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001183176068 918330279 /nfs/dbraw/zinc/33/02/79/918330279.db2.gz JPZULNLSNITZCP-GDBMZVCRSA-N 2 0 291.439 1.342 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CCC([NH2+]CCC)CC1 ZINC000996689610 918368042 /nfs/dbraw/zinc/36/80/42/918368042.db2.gz ICMIISDTKJWEHE-HNNXBMFYSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001116451 936547104 /nfs/dbraw/zinc/54/71/04/936547104.db2.gz AWRYUMJILOZGTL-UHFFFAOYSA-N 2 0 291.439 1.653 20 30 CDEDRP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001032413438 919071027 /nfs/dbraw/zinc/07/10/27/919071027.db2.gz IWCYALXOFLYLCW-YHUYYLMFSA-N 2 0 289.423 1.025 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050201170 936556825 /nfs/dbraw/zinc/55/68/25/936556825.db2.gz CISRAFRCBBFGLL-RRFJBIMHSA-N 2 0 277.412 1.047 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001052255241 936579756 /nfs/dbraw/zinc/57/97/56/936579756.db2.gz XYXBHOFHRKFLSE-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001185536739 919665147 /nfs/dbraw/zinc/66/51/47/919665147.db2.gz OXWJNBWNZAYENJ-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000999599915 919772894 /nfs/dbraw/zinc/77/28/94/919772894.db2.gz WLIXEWXKMBSRNX-UHFFFAOYSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999976689 919809021 /nfs/dbraw/zinc/80/90/21/919809021.db2.gz YLOLYSSOYOTGCC-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001110392654 920480807 /nfs/dbraw/zinc/48/08/07/920480807.db2.gz ZPOQJYVBKXNSMO-LVQVYYBASA-N 2 0 291.439 1.768 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001072800524 936709688 /nfs/dbraw/zinc/70/96/88/936709688.db2.gz SJHHONHCTGTGIY-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001190675658 922130081 /nfs/dbraw/zinc/13/00/81/922130081.db2.gz TWIRZQURIWOMAD-OAHLLOKOSA-N 2 0 277.412 1.027 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001074824761 936740957 /nfs/dbraw/zinc/74/09/57/936740957.db2.gz PUPCUMNNCAZVCZ-XHSDSOJGSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCN2C)C1 ZINC001098760382 936760695 /nfs/dbraw/zinc/76/06/95/936760695.db2.gz ZSRRCNIKNTYNEN-LZWOXQAQSA-N 2 0 277.412 1.237 20 30 CDEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001035669449 923030234 /nfs/dbraw/zinc/03/02/34/923030234.db2.gz RHFWCOOWADKIGZ-OAHLLOKOSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192680748 923190271 /nfs/dbraw/zinc/19/02/71/923190271.db2.gz WYBHQORDBSHRGY-INIZCTEOSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192924145 923342503 /nfs/dbraw/zinc/34/25/03/923342503.db2.gz XJOFWEKVWAKDQP-HZPDHXFCSA-N 2 0 293.455 1.519 20 30 CDEDRP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001194266673 924139452 /nfs/dbraw/zinc/13/94/52/924139452.db2.gz XZFPKKWDNLRSJD-HZPDHXFCSA-N 2 0 291.439 1.417 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001080332188 924535828 /nfs/dbraw/zinc/53/58/28/924535828.db2.gz MXNSLYUPJDAVKL-FXUDXRNXSA-N 2 0 291.439 1.177 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001082558243 924958605 /nfs/dbraw/zinc/95/86/05/924958605.db2.gz GTQVLWGWPHNRJI-BZUAXINKSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3ccnc3)[C@@H]2C1 ZINC001084691077 925362360 /nfs/dbraw/zinc/36/23/60/925362360.db2.gz CXEOMGMMCGYIOZ-RBSFLKMASA-N 2 0 288.395 1.553 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001085352901 925902110 /nfs/dbraw/zinc/90/21/10/925902110.db2.gz CUHLYQGEGWQINJ-HZPDHXFCSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CC[N@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102473949 937059383 /nfs/dbraw/zinc/05/93/83/937059383.db2.gz XVDUFTSIBWYBOW-ZIAGYGMSSA-N 2 0 267.417 1.198 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001201268337 926247594 /nfs/dbraw/zinc/24/75/94/926247594.db2.gz XVWLDWGYYWJWGO-HNNXBMFYSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202217813 926496813 /nfs/dbraw/zinc/49/68/13/926496813.db2.gz VQRQYWJDGZQMCC-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP CC#CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001085988266 926572656 /nfs/dbraw/zinc/57/26/56/926572656.db2.gz YIPOHWDDWQRNGQ-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001202474330 926859519 /nfs/dbraw/zinc/85/95/19/926859519.db2.gz ZHIWHKITBSRKQC-OAHLLOKOSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001086400192 927077442 /nfs/dbraw/zinc/07/74/42/927077442.db2.gz YNYRSXXUJMWXBB-VGWMRTNUSA-N 2 0 289.423 1.121 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086456099 927149669 /nfs/dbraw/zinc/14/96/69/927149669.db2.gz QQEZQIASNPIWJD-BZUAXINKSA-N 2 0 291.439 1.226 20 30 CDEDRP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CCC)C1 ZINC001103663688 937149878 /nfs/dbraw/zinc/14/98/78/937149878.db2.gz OAWDEXNPVPCVFY-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111857903 937244935 /nfs/dbraw/zinc/24/49/35/937244935.db2.gz DWYVLGHUGMYWAV-RDJZCZTQSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001169948839 928542467 /nfs/dbraw/zinc/54/24/67/928542467.db2.gz UBJGBJAZZZKFGQ-UHFFFAOYSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001086542787 929257747 /nfs/dbraw/zinc/25/77/47/929257747.db2.gz SUAYWQJCOCJQMJ-DZKIICNBSA-N 2 0 277.412 1.143 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000787382342 929364474 /nfs/dbraw/zinc/36/44/74/929364474.db2.gz SODXAZRKWQEGRJ-INIZCTEOSA-N 2 0 289.423 1.217 20 30 CDEDRP C=CC[NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152237298 937346250 /nfs/dbraw/zinc/34/62/50/937346250.db2.gz LXDQTZSIGMIFBU-UHFFFAOYSA-N 2 0 261.369 1.254 20 30 CDEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001086746750 930291128 /nfs/dbraw/zinc/29/11/28/930291128.db2.gz ORWBXCSXLCIHAQ-DZGCQCFKSA-N 2 0 296.374 1.456 20 30 CDEDRP C#CCC[NH2+]C1(CNC(=O)C[NH+](CC)CC)CCCCC1 ZINC001115777184 937419398 /nfs/dbraw/zinc/41/93/98/937419398.db2.gz GOWCROBRUGBPBW-UHFFFAOYSA-N 2 0 293.455 1.760 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135961387 930579456 /nfs/dbraw/zinc/57/94/56/930579456.db2.gz POUJOMZPIBNOFX-KBPBESRZSA-N 2 0 267.417 1.224 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135981014 930581872 /nfs/dbraw/zinc/58/18/72/930581872.db2.gz WILXXYBGHLPICY-KBPBESRZSA-N 2 0 267.417 1.224 20 30 CDEDRP C=CCC[C@@H](O)C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245983208 930848472 /nfs/dbraw/zinc/84/84/72/930848472.db2.gz ULBXLBHSSGXEDA-ZIAGYGMSSA-N 2 0 252.402 1.825 20 30 CDEDRP CN(C)C(=[NH+]Cc1cccc(OCC[NH+](C)C)c1)N(C)C ZINC000104163124 931321904 /nfs/dbraw/zinc/32/19/04/931321904.db2.gz UNIQKIAINYCMCR-UHFFFAOYSA-N 2 0 292.427 1.606 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001091377678 932121881 /nfs/dbraw/zinc/12/18/81/932121881.db2.gz SQSHJFIGQUBFDA-NRXISQOPSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171254555 932144500 /nfs/dbraw/zinc/14/45/00/932144500.db2.gz UJFKYEAMBYMEJK-HIFRSBDPSA-N 2 0 281.444 1.777 20 30 CDEDRP C=CCCCCC[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001276041301 932462329 /nfs/dbraw/zinc/46/23/29/932462329.db2.gz VQWKRNBQFYGAPL-UHFFFAOYSA-N 2 0 265.445 1.912 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051615 932642649 /nfs/dbraw/zinc/64/26/49/932642649.db2.gz PKPMIIGVUQCYHR-CYBMUJFWSA-N 2 0 290.411 1.822 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155066366 937628905 /nfs/dbraw/zinc/62/89/05/937628905.db2.gz GTVPZLNXWBIGGG-ZIAGYGMSSA-N 2 0 267.417 1.032 20 30 CDEDRP C[C@H](CC(C)(C)C#N)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000924628167 932805633 /nfs/dbraw/zinc/80/56/33/932805633.db2.gz IFHQECAQNRHFTR-CQSZACIVSA-N 2 0 280.460 1.930 20 30 CDEDRP C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000924995397 932840918 /nfs/dbraw/zinc/84/09/18/932840918.db2.gz YYVOJEPQVSWYGT-KGLIPLIRSA-N 2 0 266.433 1.540 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155237770 937652437 /nfs/dbraw/zinc/65/24/37/937652437.db2.gz JBPSZXNWACSVIX-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000303990148 935049042 /nfs/dbraw/zinc/04/90/42/935049042.db2.gz YJOXHJSTDHMZKQ-OLZOCXBDSA-N 2 0 254.422 1.763 20 30 CDEDRP CCCCNC(=[NH2+])NCC1([NH+]2CCCC2)CCOCC1 ZINC000304744308 935085914 /nfs/dbraw/zinc/08/59/14/935085914.db2.gz DNTFHTHFBSKLQP-UHFFFAOYSA-N 2 0 282.432 1.336 20 30 CDEDRP CCO[C@H](CC[NH+](C)C)CNC(NCc1ccco1)=[NH+]C ZINC000304839368 935089849 /nfs/dbraw/zinc/08/98/49/935089849.db2.gz PHGXPGXILIGCEH-CQSZACIVSA-N 2 0 296.415 1.301 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000305230887 935116662 /nfs/dbraw/zinc/11/66/62/935116662.db2.gz YBPLZXUUMHECIU-KGLIPLIRSA-N 2 0 284.448 1.294 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001258735328 935211341 /nfs/dbraw/zinc/21/13/41/935211341.db2.gz TWRRUJBDKWRJFF-HNNXBMFYSA-N 2 0 253.434 1.910 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001008278795 935401147 /nfs/dbraw/zinc/40/11/47/935401147.db2.gz QHKGRTJHBGERDN-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CCN1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001008530288 935405362 /nfs/dbraw/zinc/40/53/62/935405362.db2.gz IPVNHXCQAHJQNB-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014457405 935536311 /nfs/dbraw/zinc/53/63/11/935536311.db2.gz PSCNFBLCWOCIMZ-CABCVRRESA-N 2 0 277.412 1.095 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001014635130 935543262 /nfs/dbraw/zinc/54/32/62/935543262.db2.gz WJCXQKCAYMKGAU-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001044796223 935870431 /nfs/dbraw/zinc/87/04/31/935870431.db2.gz IKUZYDHGKDEXGF-HOTGVXAUSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001096014952 935880610 /nfs/dbraw/zinc/88/06/10/935880610.db2.gz NYWXVQAIEQROFP-KBXIAJHMSA-N 2 0 277.412 1.236 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]cnc1C)C2 ZINC001096435182 936087692 /nfs/dbraw/zinc/08/76/92/936087692.db2.gz VGYMAUOXOWSCGE-SNPRPXQTSA-N 2 0 288.395 1.558 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049896654 936186774 /nfs/dbraw/zinc/18/67/74/936186774.db2.gz NTXVKCGISVNAFR-CVEARBPZSA-N 2 0 291.439 1.724 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1CCC ZINC001263104376 936307219 /nfs/dbraw/zinc/30/72/19/936307219.db2.gz FNOWXDOPSKICKC-STQMWFEESA-N 2 0 253.390 1.271 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC001121938093 937892730 /nfs/dbraw/zinc/89/27/30/937892730.db2.gz RLEGJMIHTJABFB-XQQFMLRXSA-N 2 0 253.390 1.256 20 30 CDEDRP C=CCC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)CCC ZINC001156531159 938380675 /nfs/dbraw/zinc/38/06/75/938380675.db2.gz ZEBJQTURKJDMBP-CQSZACIVSA-N 2 0 269.433 1.731 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158037188 938577566 /nfs/dbraw/zinc/57/75/66/938577566.db2.gz HSQBIFKMJGDPTH-CABCVRRESA-N 2 0 279.428 1.533 20 30 CDEDRP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1C ZINC001158472890 938628410 /nfs/dbraw/zinc/62/84/10/938628410.db2.gz FTPNZUATRRRCKZ-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159915773 938760325 /nfs/dbraw/zinc/76/03/25/938760325.db2.gz NQSBCOOEVINGPV-UKRRQHHQSA-N 2 0 281.444 1.777 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NCCC[NH2+]CCC(C)(C)C ZINC001160209604 938775316 /nfs/dbraw/zinc/77/53/16/938775316.db2.gz RXSVSJHYUDUWBP-HNNXBMFYSA-N 2 0 293.455 1.616 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160866268 938834369 /nfs/dbraw/zinc/83/43/69/938834369.db2.gz AGNSLJLEKIKXPI-GJZGRUSLSA-N 2 0 279.428 1.675 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161042380 938863171 /nfs/dbraw/zinc/86/31/71/938863171.db2.gz PMSKKMACAVUVNM-CQSZACIVSA-N 2 0 267.417 1.533 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001163822207 939338025 /nfs/dbraw/zinc/33/80/25/939338025.db2.gz VOVKYVGTVZISHW-CYBMUJFWSA-N 2 0 265.401 1.143 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)c1occc1C[NH+](C)C ZINC001165246489 939532771 /nfs/dbraw/zinc/53/27/71/939532771.db2.gz QBBAEKPJYPQDFN-UHFFFAOYSA-N 2 0 277.368 1.074 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165771818 939576934 /nfs/dbraw/zinc/57/69/34/939576934.db2.gz BANNQNBJTQUCBN-UHFFFAOYSA-N 2 0 253.390 1.000 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001166924303 939649843 /nfs/dbraw/zinc/64/98/43/939649843.db2.gz JDKXUACOUHWWNK-OAHLLOKOSA-N 2 0 297.443 1.159 20 30 CDEDRP C=CCn1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cn1 ZINC001205558671 939903184 /nfs/dbraw/zinc/90/31/84/939903184.db2.gz HZQPQRGMAPETME-CQSZACIVSA-N 2 0 266.364 1.722 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001206794826 940093192 /nfs/dbraw/zinc/09/31/92/940093192.db2.gz VEJDSIIDCSEPOU-UHFFFAOYSA-N 2 0 267.417 1.342 20 30 CDEDRP C=CCCC[N@@H+]1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001209161168 940441961 /nfs/dbraw/zinc/44/19/61/940441961.db2.gz IIFBRXBSKPABQY-UHFFFAOYSA-N 2 0 286.383 1.695 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209323110 940460392 /nfs/dbraw/zinc/46/03/92/940460392.db2.gz FKJFHLUVNWHKFO-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001210198717 940671170 /nfs/dbraw/zinc/67/11/70/940671170.db2.gz QKRSHKOMXLDPRG-HZPDHXFCSA-N 2 0 293.455 1.567 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210796488 940714027 /nfs/dbraw/zinc/71/40/27/940714027.db2.gz HSFDJWSVEDIRKC-HNNXBMFYSA-N 2 0 281.444 1.875 20 30 CDEDRP N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000402191844 940890459 /nfs/dbraw/zinc/89/04/59/940890459.db2.gz AZPJLPZNDWYYIY-ZBFHGGJFSA-N 2 0 273.380 1.652 20 30 CDEDRP C=CCN1CCN(C(=O)CCCCCCC[NH3+])CC1 ZINC000403990310 940941297 /nfs/dbraw/zinc/94/12/97/940941297.db2.gz QBEDLLOOLOOPSI-UHFFFAOYSA-N 2 0 267.417 1.616 20 30 CDEDRP CCCCCCCNC(=O)NCCC[NH2+]CCC[NH3+] ZINC001239253138 945366984 /nfs/dbraw/zinc/36/69/84/945366984.db2.gz OWHMFNDZBHECNU-UHFFFAOYSA-N 2 0 272.437 1.585 20 30 CDEDRP C#CCCCNC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001219634322 941366678 /nfs/dbraw/zinc/36/66/78/941366678.db2.gz TXADMCNVZUOUIC-ZDUSSCGKSA-N 2 0 253.390 1.012 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+][C@H](C)C1 ZINC001219684580 941378122 /nfs/dbraw/zinc/37/81/22/941378122.db2.gz QOFVWDQVBVWHKY-MCIONIFRSA-N 2 0 267.417 1.564 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001224560385 941770592 /nfs/dbraw/zinc/77/05/92/941770592.db2.gz SMTIWLBASUAHNC-OAHLLOKOSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228992449 942404719 /nfs/dbraw/zinc/40/47/19/942404719.db2.gz SPHDJWBTIOCWEV-UHFFFAOYSA-N 2 0 253.390 1.095 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230284511 942600918 /nfs/dbraw/zinc/60/09/18/942600918.db2.gz ISAWYTMQWYHZLK-HUUCEWRRSA-N 2 0 279.428 1.367 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC001263098698 943743214 /nfs/dbraw/zinc/74/32/14/943743214.db2.gz LDYJVYUJRBFWGK-STQMWFEESA-N 2 0 255.406 1.517 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001263098763 943743517 /nfs/dbraw/zinc/74/35/17/943743517.db2.gz NIOFQVZZUIOOSP-LBPRGKRZSA-N 2 0 279.388 1.067 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC001263103032 943745252 /nfs/dbraw/zinc/74/52/52/943745252.db2.gz LSKNABYQCHUGLX-OBJOEFQTSA-N 2 0 265.401 1.411 20 30 CDEDRP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235320979 944118552 /nfs/dbraw/zinc/11/85/52/944118552.db2.gz RDBHIKDPVMWSNL-OAHLLOKOSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235356724 944133710 /nfs/dbraw/zinc/13/37/10/944133710.db2.gz YGLWSESYFONPPD-HOTGVXAUSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[NH2+]CCN1CC[NH2+]C[C@H]1c1ccccc1F ZINC001235743276 944265293 /nfs/dbraw/zinc/26/52/93/944265293.db2.gz MRAIQMDXEKZABJ-HNNXBMFYSA-N 2 0 263.360 1.548 20 30 CDEDRP N#Cc1cc(C2=CCC[NH2+]C2)ccc1N1CC[NH2+]CC1 ZINC001240663841 945977017 /nfs/dbraw/zinc/97/70/17/945977017.db2.gz CIGJUIOHVFCFDT-UHFFFAOYSA-N 2 0 268.364 1.345 20 30 CDEDRP C[C@H]1CC(=O)C=C(c2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC001242741378 946866811 /nfs/dbraw/zinc/86/68/11/946866811.db2.gz PLTTZXBKCWXKME-GFCCVEGCSA-N 2 0 271.364 1.874 20 30 CDEDRP N#C[C@@H]1CC[C@H]([N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001254647404 947569868 /nfs/dbraw/zinc/56/98/68/947569868.db2.gz CKBXQYFPMKWHPD-SYQHCUMBSA-N 2 0 263.385 1.649 20 30 CDEDRP C=CCCCCCC[C@H](O)CN(CC[NH3+])CC[NH3+] ZINC001246054537 947919676 /nfs/dbraw/zinc/91/96/76/947919676.db2.gz JTWQHDPTISBNHP-AWEZNQCLSA-N 2 0 257.422 1.093 20 30 CDEDRP N#Cc1ccc(C2([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246265880 948066641 /nfs/dbraw/zinc/06/66/41/948066641.db2.gz FGOFREQZZASTBY-HNNXBMFYSA-N 2 0 282.391 1.231 20 30 CDEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246303113 948096068 /nfs/dbraw/zinc/09/60/68/948096068.db2.gz GYBHYMNWUYPDSZ-XGUBFFRZSA-N 2 0 297.443 1.332 20 30 CDEDRP C[C@@]1(C[NH3+])CCC[N@@H+]([C@@H]2CCN[C@H](C#N)C2)CC1 ZINC001246576216 948301462 /nfs/dbraw/zinc/30/14/62/948301462.db2.gz JKJMUECXKLYETM-BFHYXJOUSA-N 2 0 250.390 1.081 20 30 CDEDRP C=C[C@@](C)(O)CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001252548508 951434331 /nfs/dbraw/zinc/43/43/31/951434331.db2.gz SGVNAUJNKPYKDK-OAHLLOKOSA-N 2 0 276.384 1.182 20 30 CDEDRP C#CCCC1(CC[NH2+]C[C@H](O)C[NH+](CC)CC)N=N1 ZINC001253216618 951817864 /nfs/dbraw/zinc/81/78/64/951817864.db2.gz OXDWVZCXPRAYBF-ZDUSSCGKSA-N 2 0 266.389 1.244 20 30 CDEDRP C=C[C@H](O)C[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001253601513 951988773 /nfs/dbraw/zinc/98/87/73/951988773.db2.gz RBRSGNYDSWHPAR-KRWDZBQOSA-N 2 0 289.423 1.071 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317262835 957388226 /nfs/dbraw/zinc/38/82/26/957388226.db2.gz AAXNQZAUNQPERZ-UONOGXRCSA-N 2 0 269.433 1.633 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)CCC ZINC001367398154 957992755 /nfs/dbraw/zinc/99/27/55/957992755.db2.gz IOERQGZGRXPDSN-GFCCVEGCSA-N 2 0 275.824 1.517 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001318257894 958005087 /nfs/dbraw/zinc/00/50/87/958005087.db2.gz WANQDEYFARUDSX-KBPBESRZSA-N 2 0 267.417 1.339 20 30 CDEDRP C#CC[NH2+]CC(=O)NCCC[N@@H+](CC)C1CCCCC1 ZINC001340674539 963063483 /nfs/dbraw/zinc/06/34/83/963063483.db2.gz LWROYMZSTOETEZ-UHFFFAOYSA-N 2 0 279.428 1.370 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1([NH2+]C)CCC1)C(C)C ZINC001341555972 963462145 /nfs/dbraw/zinc/46/21/45/963462145.db2.gz QJMVKSXRNRROFM-HNNXBMFYSA-N 2 0 293.455 1.943 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001440600194 964116597 /nfs/dbraw/zinc/11/65/97/964116597.db2.gz QQMWOAYPVLNQCS-AAEUAGOBSA-N 2 0 287.835 1.517 20 30 CDEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)CCc1ccccc1 ZINC001346236617 965004943 /nfs/dbraw/zinc/00/49/43/965004943.db2.gz JPOIHJCTGKZRAQ-INIZCTEOSA-N 2 0 260.381 1.135 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002042286 967740999 /nfs/dbraw/zinc/74/09/99/967740999.db2.gz DYBAUVHFRRJICV-UHFFFAOYSA-N 2 0 291.439 1.487 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N[C@]1(C)CC[NH2+]C1 ZINC001522100927 970398725 /nfs/dbraw/zinc/39/87/25/970398725.db2.gz HORZMZSUALMKMS-DZGCQCFKSA-N 2 0 269.433 1.933 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001574848558 1171024841 /nfs/dbraw/zinc/02/48/41/1171024841.db2.gz ASVGHDLSWNPCLQ-HZPDHXFCSA-N 2 0 287.407 1.366 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)o1 ZINC000600769017 349878439 /nfs/dbraw/zinc/87/84/39/349878439.db2.gz JBCINTRLIDTDPF-HZPDHXFCSA-N 2 0 289.379 1.870 20 30 CDEDRP C[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C[NH+]1CCCC1 ZINC000598719413 343883326 /nfs/dbraw/zinc/88/33/26/343883326.db2.gz HXPHIBTVEFWYNK-KGLIPLIRSA-N 2 0 267.417 1.609 20 30 CDEDRP C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1CC[NH+](C)CC1 ZINC000598720917 343883712 /nfs/dbraw/zinc/88/37/12/343883712.db2.gz QXZFYXDEFJIWHI-GXTWGEPZSA-N 2 0 267.417 1.607 20 30 CDEDRP N#CC1(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CCC1 ZINC000602599596 344504378 /nfs/dbraw/zinc/50/43/78/344504378.db2.gz CPFKVXZZUAPAMN-UHFFFAOYSA-N 2 0 285.351 1.124 20 30 CDEDRP N#CCSCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151120594 345298748 /nfs/dbraw/zinc/29/87/48/345298748.db2.gz YTWDPUCUIRVFTF-UHFFFAOYSA-N 2 0 276.409 1.850 20 30 CDEDRP CCC#C[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000611266433 346728761 /nfs/dbraw/zinc/72/87/61/346728761.db2.gz HAROVBQVQKYGFB-HOTGVXAUSA-N 2 0 263.429 1.500 20 30 CDEDRP COc1ccc(NC(=[NH2+])NCCCC[NH+](C)C)cc1 ZINC000264069047 362956740 /nfs/dbraw/zinc/95/67/40/362956740.db2.gz CONKXPZKHLNKOD-UHFFFAOYSA-N 2 0 264.373 1.764 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccsc1 ZINC000264072901 362957656 /nfs/dbraw/zinc/95/76/56/362957656.db2.gz DPJKELMMHAYPFJ-GFCCVEGCSA-N 2 0 266.414 1.637 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccccc1O ZINC000264100145 362967228 /nfs/dbraw/zinc/96/72/28/362967228.db2.gz NWDMRTXZPYVAFI-AWEZNQCLSA-N 2 0 290.411 1.323 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccccc1 ZINC000264123050 362973421 /nfs/dbraw/zinc/97/34/21/362973421.db2.gz RNXHWXGBJJQDMT-CQSZACIVSA-N 2 0 290.411 1.454 20 30 CDEDRP C[N@H+](CCCC[NH2+]Cc1cnc2c(C#N)cnn2c1)C1CC1 ZINC000580432052 363907227 /nfs/dbraw/zinc/90/72/27/363907227.db2.gz PAMYWMWWULUIIB-UHFFFAOYSA-N 2 0 298.394 1.565 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC(OC3C[NH2+]C3)CC2)cc1F ZINC001580066231 1172340855 /nfs/dbraw/zinc/34/08/55/1172340855.db2.gz GTFPHZWZPSYMHY-UHFFFAOYSA-N 2 0 289.354 1.650 20 30 CDEDRP CC#CCC[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000360451382 368298988 /nfs/dbraw/zinc/29/89/88/368298988.db2.gz ZYNHDABTSQRIKD-OAHLLOKOSA-N 2 0 252.402 1.833 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000579491516 372577387 /nfs/dbraw/zinc/57/73/87/372577387.db2.gz DNCYKHNYDMFBMZ-CYBMUJFWSA-N 2 0 265.401 1.095 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000069840967 378895844 /nfs/dbraw/zinc/89/58/44/378895844.db2.gz NUWASPYWACYPQS-CQSZACIVSA-N 2 0 284.448 1.438 20 30 CDEDRP C=CCC[C@@H](O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343719753 378944708 /nfs/dbraw/zinc/94/47/08/378944708.db2.gz LJRFQZJTEPMPEC-NVXWUHKLSA-N 2 0 295.471 1.414 20 30 CDEDRP N#Cc1ccc(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)o1 ZINC000174409111 379474080 /nfs/dbraw/zinc/47/40/80/379474080.db2.gz HESCDYZQLMVIHZ-ZDUSSCGKSA-N 2 0 289.379 1.742 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(F)cc1 ZINC000104153496 390485047 /nfs/dbraw/zinc/48/50/47/390485047.db2.gz HZKFUMYYWAJACL-OAHLLOKOSA-N 2 0 292.402 1.757 20 30 CDEDRP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000132161760 390890423 /nfs/dbraw/zinc/89/04/23/390890423.db2.gz IAEXXISNGRXSDH-GJZGRUSLSA-N 2 0 279.428 1.533 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375902902 391204918 /nfs/dbraw/zinc/20/49/18/391204918.db2.gz GUFOAHHPOQLYTQ-HNNXBMFYSA-N 2 0 251.418 1.663 20 30 CDEDRP CCN(CCC#N)C(=O)CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339440270 391303188 /nfs/dbraw/zinc/30/31/88/391303188.db2.gz PNBKQOXSNKDOSU-MRXNPFEDSA-N 2 0 292.427 1.166 20 30 CDEDRP C=C(C)CC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000351884324 391788986 /nfs/dbraw/zinc/78/89/86/391788986.db2.gz XXJVKHHUJXNYJV-UHFFFAOYSA-N 2 0 267.417 1.342 20 30 CDEDRP N#Cc1ccc(N2CCC([NH2+]CC3([NH3+])CCC3)CC2)cc1 ZINC000423322857 392962052 /nfs/dbraw/zinc/96/20/52/392962052.db2.gz IWZPFVIZRNVBAU-UHFFFAOYSA-N 2 0 284.407 1.998 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(C#N)s1 ZINC000531396434 393060882 /nfs/dbraw/zinc/06/08/82/393060882.db2.gz QETQEAFAURJXHI-UHFFFAOYSA-N 2 0 294.424 1.185 20 30 CDEDRP C=CCOCC[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660474866 413153332 /nfs/dbraw/zinc/15/33/32/413153332.db2.gz NWQOWRXSAKVZSW-OAHLLOKOSA-N 2 0 268.401 1.376 20 30 CDEDRP C=CC[C@H]1CCCN(C(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000662631650 413226709 /nfs/dbraw/zinc/22/67/09/413226709.db2.gz WZIVLIDENCGGCW-STQMWFEESA-N 2 0 253.390 1.080 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC000490877065 261234784 /nfs/dbraw/zinc/23/47/84/261234784.db2.gz WDTLJBDWYSTFDS-GJZGRUSLSA-N 2 0 291.439 1.273 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])C(C)C ZINC000249115369 261246731 /nfs/dbraw/zinc/24/67/31/261246731.db2.gz WHGGREOOTNEVHQ-SOUVJXGZSA-N 2 0 281.444 1.785 20 30 CDEDRP C=CCc1cc(C[NH2+]CCCC[NH3+])cc(OC)c1O ZINC000414915361 263120425 /nfs/dbraw/zinc/12/04/25/263120425.db2.gz ZGRCTYFLELOQCR-UHFFFAOYSA-N 2 0 264.369 1.958 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)C(C)C ZINC000357168177 266259242 /nfs/dbraw/zinc/25/92/42/266259242.db2.gz BFYRSDTWFLYFMX-GOEBONIOSA-N 2 0 293.455 1.657 20 30 CDEDRP COc1ccc(NC(=[NH2+])NC[C@@H](C)C[NH+](C)C)cc1 ZINC000291930084 328267396 /nfs/dbraw/zinc/26/73/96/328267396.db2.gz OGKVIYJXNGWWQX-LLVKDONJSA-N 2 0 264.373 1.620 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000377924954 329035067 /nfs/dbraw/zinc/03/50/67/329035067.db2.gz PSVHCPGPCCYFMO-UHFFFAOYSA-N 2 0 277.412 1.381 20 30 CDEDRP C=CCNC(NC[C@]1([NH+](C)C)CCC[C@H](C)C1)=[NH+]C ZINC000263260500 330050937 /nfs/dbraw/zinc/05/09/37/330050937.db2.gz SIAPXPSHLLKDTO-ZFWWWQNUSA-N 2 0 266.433 1.848 20 30 CDEDRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000424079284 330221670 /nfs/dbraw/zinc/22/16/70/330221670.db2.gz RAERHZWGLAOXBN-FZMZJTMJSA-N 2 0 274.368 1.344 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)NCC[NH2+]C1CCCCCC1 ZINC000424085801 330223159 /nfs/dbraw/zinc/22/31/59/330223159.db2.gz ZRQNAARPGKBUQE-CQSZACIVSA-N 2 0 280.416 1.436 20 30 CDEDRP N#CC1CC[NH+](CCOCC[NH+]2CCC(C#N)CC2)CC1 ZINC000178616399 333076050 /nfs/dbraw/zinc/07/60/50/333076050.db2.gz XKGXXNQOCLHOIG-UHFFFAOYSA-N 2 0 290.411 1.474 20 30 CDEDRP C=CCNC(=O)CN(CCC[NH3+])Cc1ccccc1 ZINC000230021955 333312436 /nfs/dbraw/zinc/31/24/36/333312436.db2.gz SEHNMLDRQAPRIJ-UHFFFAOYSA-N 2 0 261.369 1.140 20 30 CDEDRP C=CCC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001754447398 1159213894 /nfs/dbraw/zinc/21/38/94/1159213894.db2.gz DSMOGSIYGKZXSM-OAHLLOKOSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[C@H](CC)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000546666463 334044617 /nfs/dbraw/zinc/04/46/17/334044617.db2.gz DEIPSIJCNLMGBR-AWEZNQCLSA-N 2 0 284.448 1.476 20 30 CDEDRP C=CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001755127881 1159530790 /nfs/dbraw/zinc/53/07/90/1159530790.db2.gz NOBQXEVETAHHOF-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001752787070 1160260892 /nfs/dbraw/zinc/26/08/92/1160260892.db2.gz FWDIEBPRBNGCQY-HOTGVXAUSA-N 2 0 291.439 1.180 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001732435148 1160577867 /nfs/dbraw/zinc/57/78/67/1160577867.db2.gz FNELZSCYGJFMTN-LSDHHAIUSA-N 2 0 283.460 1.975 20 30 CDEDRP C=CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001755837683 1160622240 /nfs/dbraw/zinc/62/22/40/1160622240.db2.gz WNSIBNZGQMUQPA-CYBMUJFWSA-N 2 0 267.417 1.389 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000334905636 526587547 /nfs/dbraw/zinc/58/75/47/526587547.db2.gz DBIONQKIHJOXCU-ZDUSSCGKSA-N 2 0 280.416 1.030 20 30 CDEDRP [NH2+]=C(NCCC[NH+]1CCCCCC1)N1CCSCC1 ZINC000069536330 526800496 /nfs/dbraw/zinc/80/04/96/526800496.db2.gz VXRLDSWJBGYVLZ-UHFFFAOYSA-N 2 0 284.473 1.616 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000764444602 575908085 /nfs/dbraw/zinc/90/80/85/575908085.db2.gz QINOTTNRTJHHNV-UHFFFAOYSA-N 2 0 279.428 1.581 20 30 CDEDRP C#CCC[N@H+]1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000981543748 613001871 /nfs/dbraw/zinc/00/18/71/613001871.db2.gz FNUWGIBFZCZWGQ-UHFFFAOYSA-N 2 0 289.423 1.172 20 30 CDEDRP C#CCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000981825046 613005217 /nfs/dbraw/zinc/00/52/17/613005217.db2.gz GBHFNKMLHVWZSL-HOTGVXAUSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000972007411 613083602 /nfs/dbraw/zinc/08/36/02/613083602.db2.gz ABXSZJOOFXMLQK-CVEARBPZSA-N 2 0 289.423 1.027 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000950501382 613258064 /nfs/dbraw/zinc/25/80/64/613258064.db2.gz APGGRRFIFIBWAY-HNNXBMFYSA-N 2 0 279.428 1.439 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000943756062 613258585 /nfs/dbraw/zinc/25/85/85/613258585.db2.gz KMROHWYUCIXGQQ-HOTGVXAUSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000981895764 613309116 /nfs/dbraw/zinc/30/91/16/613309116.db2.gz SMGIKTROFBXPFO-OAHLLOKOSA-N 2 0 281.444 1.683 20 30 CDEDRP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000981167661 613311591 /nfs/dbraw/zinc/31/15/91/613311591.db2.gz CTRDTWDFOICZGY-INIZCTEOSA-N 2 0 291.439 1.439 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC000960582696 613345060 /nfs/dbraw/zinc/34/50/60/613345060.db2.gz VJZMPFBXOIPELK-BARDWOONSA-N 2 0 277.412 1.093 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000969965666 613348228 /nfs/dbraw/zinc/34/82/28/613348228.db2.gz TZVUMDCUNJYOOX-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000970926740 613485526 /nfs/dbraw/zinc/48/55/26/613485526.db2.gz BIQFBBYQTNMGDL-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000970048916 613529767 /nfs/dbraw/zinc/52/97/67/613529767.db2.gz BTVGHKJYHBKXID-CQSZACIVSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000970156206 613665721 /nfs/dbraw/zinc/66/57/21/613665721.db2.gz AHJBKFGDBUYMFZ-GFCCVEGCSA-N 2 0 284.363 1.570 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968386967 613732908 /nfs/dbraw/zinc/73/29/08/613732908.db2.gz SCDJIEILDCKBRB-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC000965064000 613857829 /nfs/dbraw/zinc/85/78/29/613857829.db2.gz OZJWALQIBKZWIL-HOUHCIJLSA-N 2 0 291.439 1.531 20 30 CDEDRP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981527476 613860465 /nfs/dbraw/zinc/86/04/65/613860465.db2.gz JHTTWDIPMCYJDG-ZIAGYGMSSA-N 2 0 265.401 1.285 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000891920838 617774703 /nfs/dbraw/zinc/77/47/03/617774703.db2.gz FCOPIRFJUILZLJ-AWEZNQCLSA-N 2 0 294.443 1.019 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000911755009 629473930 /nfs/dbraw/zinc/47/39/30/629473930.db2.gz XBPGTIXKGZPYKP-AAEUAGOBSA-N 2 0 253.390 1.256 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129411266 1162471099 /nfs/dbraw/zinc/47/10/99/1162471099.db2.gz YOXZSHZJIHMOIC-CYBMUJFWSA-N 2 0 287.835 1.708 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130186503 1162565704 /nfs/dbraw/zinc/56/57/04/1162565704.db2.gz HQADVGKEMFZSMS-UONOGXRCSA-N 2 0 265.401 1.285 20 30 CDEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001114989108 1158904690 /nfs/dbraw/zinc/90/46/90/1158904690.db2.gz OJOXUYJJEKRJHN-JJXSEGSLSA-N 2 0 291.439 1.032 20 30 CDEDRP C#CCC[NH+]1CCC(N(CCC)C(=O)CC[NH+](C)C)CC1 ZINC001752439964 1159732898 /nfs/dbraw/zinc/73/28/98/1159732898.db2.gz QTUPAHGFWFDPHY-UHFFFAOYSA-N 2 0 293.455 1.664 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398307 1161002326 /nfs/dbraw/zinc/00/23/26/1161002326.db2.gz MZHIBXDRDIOIJE-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001086368122 1161974839 /nfs/dbraw/zinc/97/48/39/1161974839.db2.gz SINQYGLIRZGMKB-FVQBIDKESA-N 2 0 291.439 1.389 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132931484 1163511746 /nfs/dbraw/zinc/51/17/46/1163511746.db2.gz AFXNMKXGAKUVTP-HUUCEWRRSA-N 2 0 293.455 1.424 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133090651 1163567642 /nfs/dbraw/zinc/56/76/42/1163567642.db2.gz JWFXEYXVJUXBBU-CABCVRRESA-N 2 0 281.444 1.588 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133685305 1163851091 /nfs/dbraw/zinc/85/10/91/1163851091.db2.gz SNEVXQWFMUDQSK-ZDUSSCGKSA-N 2 0 255.406 1.389 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)Nc1cccc(C[NH3+])c1 ZINC001574604422 1170996314 /nfs/dbraw/zinc/99/63/14/1170996314.db2.gz PKEQMYFZESNRNI-UHFFFAOYSA-N 2 0 274.368 1.222 20 30 CDEDRP C#CCN(C[C@H]1CCC[C@]2(CCOC2)O1)C1CC[NH2+]CC1 ZINC001574667271 1170998805 /nfs/dbraw/zinc/99/88/05/1170998805.db2.gz OKPURBHIRPMKFU-IAGOWNOFSA-N 2 0 292.423 1.402 20 30 CDEDRP C=CC1(CC(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)C[NH2+]C1 ZINC001574879628 1171034807 /nfs/dbraw/zinc/03/48/07/1171034807.db2.gz DIKKGDJRJDUSTO-AWEZNQCLSA-N 2 0 279.428 1.341 20 30 CDEDRP CC[NH+]1CCN(CCNC(=[NH2+])Nc2ccccc2C)CC1 ZINC000170913385 1181228752 /nfs/dbraw/zinc/22/87/52/1181228752.db2.gz KZOXFYMCSRLGIU-UHFFFAOYSA-N 2 0 289.427 1.359 20 30 CDEDRP CC#CC[N@H+](C)CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001751990908 1184805224 /nfs/dbraw/zinc/80/52/24/1184805224.db2.gz AJGCAGXBDONMRR-HNNXBMFYSA-N 2 0 279.428 1.322 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001752629192 1184885684 /nfs/dbraw/zinc/88/56/84/1184885684.db2.gz SDVHNHBEJWRQOS-BZUAXINKSA-N 2 0 291.439 1.531 20 30 CDEDRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccccc1 ZINC001752917144 1184965177 /nfs/dbraw/zinc/96/51/77/1184965177.db2.gz GNDMGWCUMLXTJT-RDJZCZTQSA-N 2 0 299.418 1.084 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC001752992681 1184985979 /nfs/dbraw/zinc/98/59/79/1184985979.db2.gz QVFNJWYYVWEKBR-OAHLLOKOSA-N 2 0 290.411 1.841 20 30 CDEDRP C#CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001753007328 1184991913 /nfs/dbraw/zinc/99/19/13/1184991913.db2.gz JWWPUCRYSCEECY-HUUCEWRRSA-N 2 0 279.428 1.369 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001753138120 1185081819 /nfs/dbraw/zinc/08/18/19/1185081819.db2.gz ICEYYDJVYDSANS-HNNXBMFYSA-N 2 0 279.428 1.180 20 30 CDEDRP C=CC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001753302431 1185148225 /nfs/dbraw/zinc/14/82/25/1185148225.db2.gz BKQPPGBITUMQTO-INIZCTEOSA-N 2 0 287.407 1.715 20 30 CDEDRP C#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001753327763 1185158342 /nfs/dbraw/zinc/15/83/42/1185158342.db2.gz HUVMGHIRRVIHPN-OWCLPIDISA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH+](C)C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001753360742 1185168540 /nfs/dbraw/zinc/16/85/40/1185168540.db2.gz RISLSCMJDWELCB-AWEZNQCLSA-N 2 0 267.417 1.295 20 30 CDEDRP C=CC[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001753447571 1185213387 /nfs/dbraw/zinc/21/33/87/1185213387.db2.gz BYJLWMIPDQBVQH-CQSZACIVSA-N 2 0 267.417 1.437 20 30 CDEDRP C=CCC[NH2+]C[C@@](C)(NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001753528163 1185248599 /nfs/dbraw/zinc/24/85/99/1185248599.db2.gz LRCSLIAURIMVNW-RHSMWYFYSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CCC[NH2+]C[C@](C)(NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001753528165 1185248871 /nfs/dbraw/zinc/24/88/71/1185248871.db2.gz LRCSLIAURIMVNW-YOEHRIQHSA-N 2 0 293.455 1.779 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001754873298 1185754781 /nfs/dbraw/zinc/75/47/81/1185754781.db2.gz DGEDXZGHDSRMIT-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH2+]CC[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001754930542 1185765585 /nfs/dbraw/zinc/76/55/85/1185765585.db2.gz KIJTVAAPOWDHTM-AWEZNQCLSA-N 2 0 279.428 1.342 20 30 CDEDRP C#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001755046160 1185799158 /nfs/dbraw/zinc/79/91/58/1185799158.db2.gz WOOYSIIDKIUCHA-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C1 ZINC001755144294 1185829586 /nfs/dbraw/zinc/82/95/86/1185829586.db2.gz ZQVRKLGHAHDNQE-CQSZACIVSA-N 2 0 279.428 1.178 20 30 CDEDRP CC#CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001755355419 1185926088 /nfs/dbraw/zinc/92/60/88/1185926088.db2.gz FORAPXDOSWUBMV-OAHLLOKOSA-N 2 0 291.439 1.370 20 30 CDEDRP C=CCCC[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001755385683 1185936986 /nfs/dbraw/zinc/93/69/86/1185936986.db2.gz AYHPCDHMTJHALL-CABCVRRESA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[NH2+][C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001755551402 1185987674 /nfs/dbraw/zinc/98/76/74/1185987674.db2.gz VFPQGXDGIVSOCM-JKSUJKDBSA-N 2 0 293.455 1.472 20 30 CDEDRP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001755736818 1186052966 /nfs/dbraw/zinc/05/29/66/1186052966.db2.gz ANWONZOGBMNQMC-LSDHHAIUSA-N 2 0 291.439 1.675 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134766573 1164102955 /nfs/dbraw/zinc/10/29/55/1164102955.db2.gz IXUFNMGIYCVORB-OAHLLOKOSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001184574915 1164359613 /nfs/dbraw/zinc/35/96/13/1164359613.db2.gz AGYKWCGJMOVUQA-LSDHHAIUSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000997182610 813333442 /nfs/dbraw/zinc/33/34/42/813333442.db2.gz HGPLMTHGICNXQF-GDBMZVCRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027993609 804996440 /nfs/dbraw/zinc/99/64/40/804996440.db2.gz WVCRHDOTJMJNFA-OAHLLOKOSA-N 2 0 291.439 1.772 20 30 CDEDRP C[NH+]=C(NC[C@H](C)[N@H+](C)C1CC1)N1CC[C@@]2(CCOC2)C1 ZINC000261974460 805082308 /nfs/dbraw/zinc/08/23/08/805082308.db2.gz NKEUAPAZSJOAPN-XJKSGUPXSA-N 2 0 294.443 1.157 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)C(C)(C)n2cnc(C)c2)CC1 ZINC000996717441 805352519 /nfs/dbraw/zinc/35/25/19/805352519.db2.gz PMANYICCRPJQKF-UHFFFAOYSA-N 2 0 290.411 1.693 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CC2)C1 ZINC001018985263 811086192 /nfs/dbraw/zinc/08/61/92/811086192.db2.gz OOHMIRYLTXOXFX-HOTGVXAUSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000998794899 811094266 /nfs/dbraw/zinc/09/42/66/811094266.db2.gz SDCHTUHWWXRARF-PFSRBDOWSA-N 2 0 279.428 1.482 20 30 CDEDRP CC#CCN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014404581 811107073 /nfs/dbraw/zinc/10/70/73/811107073.db2.gz DXEIJUFGGWZCEN-LSDHHAIUSA-N 2 0 277.412 1.073 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997297917 811233082 /nfs/dbraw/zinc/23/30/82/811233082.db2.gz HHRRUEMIIQWCHJ-CYBMUJFWSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2ccnc2)[C@H]1C ZINC001074927705 811498609 /nfs/dbraw/zinc/49/86/09/811498609.db2.gz OTHLNLKCKQCWOR-KKUMJFAQSA-N 2 0 290.411 1.989 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+](C)C)CC2 ZINC001035720590 811643133 /nfs/dbraw/zinc/64/31/33/811643133.db2.gz KZONWBXDAXSYJO-HNNXBMFYSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001000080470 811691072 /nfs/dbraw/zinc/69/10/72/811691072.db2.gz GKULLZUHYHZTQZ-AWEZNQCLSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001027944489 811703500 /nfs/dbraw/zinc/70/35/00/811703500.db2.gz FEMQYBJVMGCSFW-BFHYXJOUSA-N 2 0 288.395 1.670 20 30 CDEDRP N#Cc1ccc(NCC[NH2+][C@H]2CCC[C@H]2C[NH3+])nc1 ZINC000925892904 811774674 /nfs/dbraw/zinc/77/46/74/811774674.db2.gz HQODNIFBBMKWQW-STQMWFEESA-N 2 0 259.357 1.082 20 30 CDEDRP C[C@H]1C[NH+]=C(NCCCC[N@@H+]2CCC[C@@H](C)C2)N1 ZINC000848990021 811820194 /nfs/dbraw/zinc/82/01/94/811820194.db2.gz SFJNEKDHWAUMCI-OLZOCXBDSA-N 2 0 252.406 1.436 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046330006 811820709 /nfs/dbraw/zinc/82/07/09/811820709.db2.gz DXLGTONGCLESBT-ZMSDIMECSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001019030450 811830627 /nfs/dbraw/zinc/83/06/27/811830627.db2.gz KDSGYHFKYBKLPS-HNNXBMFYSA-N 2 0 291.439 1.629 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015497610 811841266 /nfs/dbraw/zinc/84/12/66/811841266.db2.gz FTRWELQRLCGFFE-CQSZACIVSA-N 2 0 277.412 1.075 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028002566 811916912 /nfs/dbraw/zinc/91/69/12/811916912.db2.gz CWGHOALVDXUMNR-HNNXBMFYSA-N 2 0 296.374 1.552 20 30 CDEDRP C[NH+]1CCC(CNC(=[NH2+])NCCc2ccccc2)CC1 ZINC000303885779 812017210 /nfs/dbraw/zinc/01/72/10/812017210.db2.gz NITPZVMHPSZPOP-UHFFFAOYSA-N 2 0 274.412 1.475 20 30 CDEDRP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001052430415 812043476 /nfs/dbraw/zinc/04/34/76/812043476.db2.gz SDLNWYOBEDXTCI-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001044192663 812049235 /nfs/dbraw/zinc/04/92/35/812049235.db2.gz BYOODSXIBOHVPC-UHFFFAOYSA-N 2 0 277.412 1.191 20 30 CDEDRP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001027893264 812050028 /nfs/dbraw/zinc/05/00/28/812050028.db2.gz QMVJDBILMYBTSH-OWCLPIDISA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001005994324 812248471 /nfs/dbraw/zinc/24/84/71/812248471.db2.gz BZRWFBZQDIDXSH-HOCLYGCPSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001005180587 812325347 /nfs/dbraw/zinc/32/53/47/812325347.db2.gz TXLCBOLTBWIWSE-CQSZACIVSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001006401586 812437088 /nfs/dbraw/zinc/43/70/88/812437088.db2.gz STNNRXBBBXKIKB-AWEZNQCLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039030380 812439116 /nfs/dbraw/zinc/43/91/16/812439116.db2.gz ZGWXKZQQDCISMA-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014893850 812527961 /nfs/dbraw/zinc/52/79/61/812527961.db2.gz LLRLPESXABFVNS-OAHLLOKOSA-N 2 0 291.439 1.629 20 30 CDEDRP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C ZINC001039343188 812734130 /nfs/dbraw/zinc/73/41/30/812734130.db2.gz KMUGPBOZTLPYLH-PMPSAXMXSA-N 2 0 289.423 1.169 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001027562908 812832386 /nfs/dbraw/zinc/83/23/86/812832386.db2.gz YSSUJWOAOIGRNN-HUUCEWRRSA-N 2 0 279.428 1.129 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000989683789 812854650 /nfs/dbraw/zinc/85/46/50/812854650.db2.gz SAEKOSRZQRKUDU-OLZOCXBDSA-N 2 0 297.830 1.414 20 30 CDEDRP C=C[C@H](CO)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886639403 813084351 /nfs/dbraw/zinc/08/43/51/813084351.db2.gz CPUZRNQCDSGPOL-WLYUNCDWSA-N 2 0 252.402 1.920 20 30 CDEDRP CC[NH+]1CCC(CNC(NCc2ccco2)=[NH+]C)CC1 ZINC000848996400 813213414 /nfs/dbraw/zinc/21/34/14/813213414.db2.gz ZANDAJNJCFQUDR-UHFFFAOYSA-N 2 0 278.400 1.677 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001006924727 813435775 /nfs/dbraw/zinc/43/57/75/813435775.db2.gz IVFDCFLCAMTYSS-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001015795049 813492461 /nfs/dbraw/zinc/49/24/61/813492461.db2.gz KXANSNMTIVEWKF-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001150703 813711959 /nfs/dbraw/zinc/71/19/59/813711959.db2.gz JAFLUDFYFLHIBO-ZBFHGGJFSA-N 2 0 291.439 1.509 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001022837360 813823491 /nfs/dbraw/zinc/82/34/91/813823491.db2.gz WHHXOBYPTLMBAT-LJISPDSOSA-N 2 0 277.412 1.426 20 30 CDEDRP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001033687203 813871708 /nfs/dbraw/zinc/87/17/08/813871708.db2.gz ZQZXSFRUZNMYRY-LSDHHAIUSA-N 2 0 279.428 1.580 20 30 CDEDRP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001040401192 813882821 /nfs/dbraw/zinc/88/28/21/813882821.db2.gz YJUVQPHZRRADGF-DOTOQJQBSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996613005 813970568 /nfs/dbraw/zinc/97/05/68/813970568.db2.gz SVJFDGVIFHYSEY-ZDUSSCGKSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001038455112 813994762 /nfs/dbraw/zinc/99/47/62/813994762.db2.gz QVWIEIPSEGIGLP-CQSZACIVSA-N 2 0 277.412 1.381 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000303906594 814008918 /nfs/dbraw/zinc/00/89/18/814008918.db2.gz ZYLIINNRCNWJPC-QWHCGFSZSA-N 2 0 284.448 1.436 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CC ZINC001037957168 814148945 /nfs/dbraw/zinc/14/89/45/814148945.db2.gz FRZBJZKDRMNBMF-HUUCEWRRSA-N 2 0 291.439 1.485 20 30 CDEDRP CC(C)CNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000262011262 814580702 /nfs/dbraw/zinc/58/07/02/814580702.db2.gz UIDHZJQYSSXBMM-CHWSQXEVSA-N 2 0 254.422 1.810 20 30 CDEDRP COc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1C#N ZINC000817916024 814728079 /nfs/dbraw/zinc/72/80/79/814728079.db2.gz UATJVCZQCLEDFB-TUKIKUTGSA-N 2 0 289.379 1.409 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001033778285 814738464 /nfs/dbraw/zinc/73/84/64/814738464.db2.gz ZRGGNZCNKFLVGO-UONOGXRCSA-N 2 0 265.401 1.189 20 30 CDEDRP C#CCC[NH+]1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001006408095 816941315 /nfs/dbraw/zinc/94/13/15/816941315.db2.gz RUQJBONLJIUOEX-UHFFFAOYSA-N 2 0 277.412 1.028 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCC#N ZINC000170915077 816970532 /nfs/dbraw/zinc/97/05/32/816970532.db2.gz HPBBDSPVFAJQHT-LBPRGKRZSA-N 2 0 251.378 1.069 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001022278374 816997862 /nfs/dbraw/zinc/99/78/62/816997862.db2.gz MKWLBJHKJVWXTK-QKPAOTATSA-N 2 0 291.439 1.816 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001008298128 817006174 /nfs/dbraw/zinc/00/61/74/817006174.db2.gz HQRQZQIAIGVRRG-HRCADAONSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001007491988 817009659 /nfs/dbraw/zinc/00/96/59/817009659.db2.gz KOQVLGYNMMTUQR-CVEARBPZSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@H]2C1 ZINC001048827881 817010443 /nfs/dbraw/zinc/01/04/43/817010443.db2.gz KOLGNXCTLRAIEX-XUWVNRHRSA-N 2 0 291.439 1.293 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001014426487 817043062 /nfs/dbraw/zinc/04/30/62/817043062.db2.gz SDNRHCDGCORYGW-HNNXBMFYSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001027547955 817143554 /nfs/dbraw/zinc/14/35/54/817143554.db2.gz YWOAWDPOIZGIFV-HRCADAONSA-N 2 0 293.455 1.826 20 30 CDEDRP N#Cc1ccc([C@H](O)C[NH2+]CCn2ccnc2)cc1 ZINC000049076832 817168820 /nfs/dbraw/zinc/16/88/20/817168820.db2.gz SNLQCRQYGYHUFT-CQSZACIVSA-N 2 0 256.309 1.078 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034041421 817193750 /nfs/dbraw/zinc/19/37/50/817193750.db2.gz DDDCSWHTDCJJAH-KGLIPLIRSA-N 2 0 265.401 1.047 20 30 CDEDRP CCC(CC)CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000304738554 817194890 /nfs/dbraw/zinc/19/48/90/817194890.db2.gz AUBUDNIQIWFXFQ-CYBMUJFWSA-N 2 0 254.422 1.811 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555992 817204871 /nfs/dbraw/zinc/20/48/71/817204871.db2.gz WPMHZMSXDBYIQH-OAHLLOKOSA-N 2 0 279.428 1.437 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NCC[NH+](C(C)C)C(C)C ZINC000104153857 817348572 /nfs/dbraw/zinc/34/85/72/817348572.db2.gz WTAFRTVKWHYKOL-GFCCVEGCSA-N 2 0 258.410 1.044 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000817903396 817557820 /nfs/dbraw/zinc/55/78/20/817557820.db2.gz BMCPHYQZCVQLOV-LLVKDONJSA-N 2 0 274.792 1.650 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052620815 817573002 /nfs/dbraw/zinc/57/30/02/817573002.db2.gz UHEZFYVRGUGASO-OAHLLOKOSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001036054552 817796753 /nfs/dbraw/zinc/79/67/53/817796753.db2.gz LRXJKWAUQGHEEW-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001150701 817812133 /nfs/dbraw/zinc/81/21/33/817812133.db2.gz JAFLUDFYFLHIBO-GOEBONIOSA-N 2 0 291.439 1.509 20 30 CDEDRP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001052498586 817857206 /nfs/dbraw/zinc/85/72/06/817857206.db2.gz ILZKBLSXAFSNRN-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCC[C@H](O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000923384246 817895557 /nfs/dbraw/zinc/89/55/57/817895557.db2.gz VJKFLSWRMDAKBV-KBPBESRZSA-N 2 0 252.402 1.778 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001042354653 817964904 /nfs/dbraw/zinc/96/49/04/817964904.db2.gz BKUDEBXLFOUYHA-CVEARBPZSA-N 2 0 291.439 1.581 20 30 CDEDRP CC1(C#N)CCC([NH+]2CCN(CCC[NH3+])CC2)CC1 ZINC001173589139 912637782 /nfs/dbraw/zinc/63/77/82/912637782.db2.gz XFVOPWTUWKRRSR-UHFFFAOYSA-N 2 0 264.417 1.425 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106139578 913352566 /nfs/dbraw/zinc/35/25/66/913352566.db2.gz ZVKUJAITGUSIEX-FVQBIDKESA-N 2 0 291.439 1.198 20 30 CDEDRP C#CCCC[NH+]1CCN(CCC[NH+](CC)CC)CC1 ZINC001209266650 894577730 /nfs/dbraw/zinc/57/77/30/894577730.db2.gz ZZDCVHSFPLYDCA-UHFFFAOYSA-N 2 0 265.445 1.749 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176024944 913902433 /nfs/dbraw/zinc/90/24/33/913902433.db2.gz VJZNEAVDBLYOIK-OAHLLOKOSA-N 2 0 281.444 1.616 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001167257797 894971296 /nfs/dbraw/zinc/97/12/96/894971296.db2.gz IXDVCUIRZVLCBC-ZDUSSCGKSA-N 2 0 267.417 1.389 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127344957 913956325 /nfs/dbraw/zinc/95/63/25/913956325.db2.gz UXPIGBUFEOMCOA-OAHLLOKOSA-N 2 0 293.455 1.923 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001203203205 895755585 /nfs/dbraw/zinc/75/55/85/895755585.db2.gz IUYMXVGRRYIGHU-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001266867671 896240005 /nfs/dbraw/zinc/24/00/05/896240005.db2.gz NYDUXUHLNUPSOW-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001024801252 898257144 /nfs/dbraw/zinc/25/71/44/898257144.db2.gz LSXXUAGRLZOPCS-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001176844025 914269020 /nfs/dbraw/zinc/26/90/20/914269020.db2.gz DXNCPALKRJNHML-OKILXGFUSA-N 2 0 267.417 1.531 20 30 CDEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000695779528 899910708 /nfs/dbraw/zinc/91/07/08/899910708.db2.gz PZGHOUOHXUGALO-LBPRGKRZSA-N 2 0 253.390 1.361 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089562560 914814104 /nfs/dbraw/zinc/81/41/04/914814104.db2.gz HTVSHEZBKNQKJW-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089563439 914815004 /nfs/dbraw/zinc/81/50/04/914815004.db2.gz RKRYSNQBDUTMRL-HNNXBMFYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001226555244 905319712 /nfs/dbraw/zinc/31/97/12/905319712.db2.gz UIDRNAZYRXNADH-OAHLLOKOSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168030345 905935810 /nfs/dbraw/zinc/93/58/10/905935810.db2.gz NLPGPHHIMWNUJM-HUUCEWRRSA-N 2 0 279.428 1.675 20 30 CDEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000985327096 906435412 /nfs/dbraw/zinc/43/54/12/906435412.db2.gz CEOMEQUDFHJHJL-OAHLLOKOSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001000534818 921249167 /nfs/dbraw/zinc/24/91/67/921249167.db2.gz YYGVFLDNPYAAEO-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001088577754 908139051 /nfs/dbraw/zinc/13/90/51/908139051.db2.gz NDTQMMDXVCLNEV-SYQHCUMBSA-N 2 0 265.401 1.092 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178926368 915673408 /nfs/dbraw/zinc/67/34/08/915673408.db2.gz SKXVXXXXGHQWLO-JYJNAYRXSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001182485526 917933923 /nfs/dbraw/zinc/93/39/23/917933923.db2.gz CSXXPILROAIRIH-GDBMZVCRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996301206 918243591 /nfs/dbraw/zinc/24/35/91/918243591.db2.gz SDWMSAYTSBXODP-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)Cc2ncc[nH]2)C[C@H]1C ZINC001182996868 918247614 /nfs/dbraw/zinc/24/76/14/918247614.db2.gz JNPINZOKUIWLOV-CZUORRHYSA-N 2 0 290.411 1.603 20 30 CDEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001183082447 918278540 /nfs/dbraw/zinc/27/85/40/918278540.db2.gz VWPRFOPAAACFOJ-NVXWUHKLSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050201194 936556685 /nfs/dbraw/zinc/55/66/85/936556685.db2.gz DEPTYWLWAPMWEH-ARFHVFGLSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001185446673 919591257 /nfs/dbraw/zinc/59/12/57/919591257.db2.gz NNFLZAGGODUIRA-CVEARBPZSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001032665164 919698525 /nfs/dbraw/zinc/69/85/25/919698525.db2.gz JGMZSHTUCWAUNP-HOTGVXAUSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115775 920349069 /nfs/dbraw/zinc/34/90/69/920349069.db2.gz SHKKVALOJBYNJD-LSDHHAIUSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001187322636 920468429 /nfs/dbraw/zinc/46/84/29/920468429.db2.gz POPAUSSXSPDNSF-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187824889 920671237 /nfs/dbraw/zinc/67/12/37/920671237.db2.gz BOGFIVTYULJYFR-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001187895130 920717547 /nfs/dbraw/zinc/71/75/47/920717547.db2.gz QUDUWOHPCKCDSE-OAHLLOKOSA-N 2 0 277.412 1.076 20 30 CDEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001192550644 923125584 /nfs/dbraw/zinc/12/55/84/923125584.db2.gz JWQJYJAGEFRZGL-CQSZACIVSA-N 2 0 276.384 1.451 20 30 CDEDRP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001080311261 924538133 /nfs/dbraw/zinc/53/81/33/924538133.db2.gz YBSAXAYWIBQLSN-BZUAXINKSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001100873260 936942396 /nfs/dbraw/zinc/94/23/96/936942396.db2.gz ZKKJDYHGRRSJDT-IYXRBSQSSA-N 2 0 299.846 1.565 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001082522608 924952970 /nfs/dbraw/zinc/95/29/70/924952970.db2.gz RWMMXUUOZFYGFO-QKPAOTATSA-N 2 0 293.455 1.729 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001082740766 924990851 /nfs/dbraw/zinc/99/08/51/924990851.db2.gz FYNRHZYIAQUVSI-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCCC[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197048607 925034550 /nfs/dbraw/zinc/03/45/50/925034550.db2.gz FGNZNYVAEJAOOG-UHFFFAOYSA-N 2 0 267.417 1.439 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101476365 936974237 /nfs/dbraw/zinc/97/42/37/936974237.db2.gz PQZXBXYNXWBRRW-WBVHZDCISA-N 2 0 293.455 1.683 20 30 CDEDRP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102355058 937054493 /nfs/dbraw/zinc/05/44/93/937054493.db2.gz NJDNBLDSNDTPAM-BZUAXINKSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001085687604 926286362 /nfs/dbraw/zinc/28/63/62/926286362.db2.gz RJKYWXARZJFJRZ-HOTGVXAUSA-N 2 0 293.455 1.826 20 30 CDEDRP C[NH+]1CCN(c2cc(Nc3cccnc3C#N)cc[nH+]2)CC1 ZINC001201651623 926373704 /nfs/dbraw/zinc/37/37/04/926373704.db2.gz YFTYISXHEXSYFO-UHFFFAOYSA-N 2 0 294.362 1.844 20 30 CDEDRP C=CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001085779307 926387850 /nfs/dbraw/zinc/38/78/50/926387850.db2.gz RSMAVLWFAVBTRJ-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102782654 937087945 /nfs/dbraw/zinc/08/79/45/937087945.db2.gz OAYSSDLMYDNOON-OAGGEKHMSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001103086475 937121342 /nfs/dbraw/zinc/12/13/42/937121342.db2.gz FCMPCKSUMYUXDF-BMFZPTHFSA-N 2 0 291.439 1.034 20 30 CDEDRP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001103755706 937154444 /nfs/dbraw/zinc/15/44/44/937154444.db2.gz NWJRNJVSMVKMGI-HZPDHXFCSA-N 2 0 293.455 1.424 20 30 CDEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=[NH2+])c1ccc(C#N)cc1)C2 ZINC001169092195 927717054 /nfs/dbraw/zinc/71/70/54/927717054.db2.gz ZPZYUKOIBSGEKB-QKDCVEJESA-N 2 0 268.364 1.889 20 30 CDEDRP C=CCC1([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCC1 ZINC000690779164 937205907 /nfs/dbraw/zinc/20/59/07/937205907.db2.gz AEUMTFBMBVSKBB-CQSZACIVSA-N 2 0 252.402 1.922 20 30 CDEDRP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149891254 937209300 /nfs/dbraw/zinc/20/93/00/937209300.db2.gz YBEVMZLCZZKUSD-HUUCEWRRSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110695079 928338968 /nfs/dbraw/zinc/33/89/68/928338968.db2.gz ZXODKXNIHNEBOQ-WCVJEAGWSA-N 2 0 293.455 1.870 20 30 CDEDRP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001111874836 937247822 /nfs/dbraw/zinc/24/78/22/937247822.db2.gz BBPBBSBGJVBHCE-ZOBUZTSGSA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](C)C)C2 ZINC001108749988 928628806 /nfs/dbraw/zinc/62/88/06/928628806.db2.gz RICCBGUVSPKGBE-XHSDSOJGSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1ccnc1)C2 ZINC001109770831 929038806 /nfs/dbraw/zinc/03/88/06/929038806.db2.gz CRQXHAKWEFHBJB-KBXIAJHMSA-N 2 0 288.395 1.742 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001159148910 929695689 /nfs/dbraw/zinc/69/56/89/929695689.db2.gz OSWSRVDLAZNZQU-AWEZNQCLSA-N 2 0 287.423 1.728 20 30 CDEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134758108 929895196 /nfs/dbraw/zinc/89/51/96/929895196.db2.gz WGNUIEOREJAOTM-OAHLLOKOSA-N 2 0 297.443 1.159 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994116 929989883 /nfs/dbraw/zinc/98/98/83/929989883.db2.gz OJEWRRABFDQMDD-KGLIPLIRSA-N 2 0 298.390 1.844 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135375833 930176381 /nfs/dbraw/zinc/17/63/81/930176381.db2.gz OKIRUFIMZUBYAU-KGLIPLIRSA-N 2 0 279.428 1.224 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135378231 930176505 /nfs/dbraw/zinc/17/65/05/930176505.db2.gz ISQDOHPWRIIALL-KBPBESRZSA-N 2 0 281.444 1.777 20 30 CDEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170819302 930244753 /nfs/dbraw/zinc/24/47/53/930244753.db2.gz SSYABANMVJBJLT-GOEBONIOSA-N 2 0 293.455 1.779 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CCCCC1 ZINC001115730535 937416079 /nfs/dbraw/zinc/41/60/79/937416079.db2.gz MSBZGOFXKVCNQS-CABCVRRESA-N 2 0 291.439 1.226 20 30 CDEDRP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135924666 930544217 /nfs/dbraw/zinc/54/42/17/930544217.db2.gz VACQXSWTBZLJOU-GJZGRUSLSA-N 2 0 299.459 1.404 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153388164 937443652 /nfs/dbraw/zinc/44/36/52/937443652.db2.gz UEZVFMJSSIPADI-ZBFHGGJFSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153381958 937443979 /nfs/dbraw/zinc/44/39/79/937443979.db2.gz PKKYBULQFYCGFR-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001153501011 937449129 /nfs/dbraw/zinc/44/91/29/937449129.db2.gz CDNRODVJAUTWIE-QLFBSQMISA-N 2 0 281.444 1.729 20 30 CDEDRP C=CC[C@@H](C)C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+] ZINC001144029356 931632202 /nfs/dbraw/zinc/63/22/02/931632202.db2.gz UYZQYNYSUAUZHM-LLVKDONJSA-N 2 0 254.378 1.262 20 30 CDEDRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cncc(C#N)c1 ZINC001275028063 931635925 /nfs/dbraw/zinc/63/59/25/931635925.db2.gz WRAFLUHUHDZWJL-IRXDYDNUSA-N 2 0 299.422 1.163 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001091110122 931823774 /nfs/dbraw/zinc/82/37/74/931823774.db2.gz NJRHDICWGACDMK-UHFFFAOYSA-N 2 0 298.390 1.927 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001091111627 931824938 /nfs/dbraw/zinc/82/49/38/931824938.db2.gz IDGLBTCKOROOHZ-GPANFISMSA-N 2 0 291.439 1.224 20 30 CDEDRP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146408396 932245006 /nfs/dbraw/zinc/24/50/06/932245006.db2.gz IMAROQXJOVDOTF-LSDHHAIUSA-N 2 0 281.444 1.921 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001147428667 932495463 /nfs/dbraw/zinc/49/54/63/932495463.db2.gz IFFHCMIZQFFWKE-KRWDZBQOSA-N 2 0 287.407 1.193 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051618 932642472 /nfs/dbraw/zinc/64/24/72/932642472.db2.gz PKPMIIGVUQCYHR-ZDUSSCGKSA-N 2 0 290.411 1.822 20 30 CDEDRP C=C(C)CC[N@H+]1CCC2(CN(C(=O)C[NH+](CC)CC)C2)C1 ZINC001148469543 932712925 /nfs/dbraw/zinc/71/29/25/932712925.db2.gz MTLBRYVHCWJMQK-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP CC(C)[N@H+](C)CCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC001120569556 937811652 /nfs/dbraw/zinc/81/16/52/937811652.db2.gz BMSUGGJDEGDXNX-CYBMUJFWSA-N 2 0 255.406 1.607 20 30 CDEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001114770705 934960702 /nfs/dbraw/zinc/96/07/02/934960702.db2.gz ZRRXZWYLJLAXGT-ZSHCYNCHSA-N 2 0 291.439 1.341 20 30 CDEDRP CCCCNC(=[NH2+])NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000305016934 935098725 /nfs/dbraw/zinc/09/87/25/935098725.db2.gz MHRNZALPWRWPEV-ZDUSSCGKSA-N 2 0 254.422 1.669 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001095920395 935393022 /nfs/dbraw/zinc/39/30/22/935393022.db2.gz VVLBCINNGHRPGN-QMHWVQJVSA-N 2 0 291.439 1.624 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001016928933 935626661 /nfs/dbraw/zinc/62/66/61/935626661.db2.gz AZFYSWIUFWFNLG-LSDHHAIUSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041357961 935798251 /nfs/dbraw/zinc/79/82/51/935798251.db2.gz JPFKIAKCBONBME-WBVHZDCISA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001096012632 935879200 /nfs/dbraw/zinc/87/92/00/935879200.db2.gz UFPDKTXGZUUJSK-WCVJEAGWSA-N 2 0 291.439 1.768 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC(C[NH+](C)C)CC1 ZINC001121991566 937897456 /nfs/dbraw/zinc/89/74/56/937897456.db2.gz UIXYQVZHWZYZQL-AWEZNQCLSA-N 2 0 267.417 1.470 20 30 CDEDRP C#CC[NH2+]CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001121997323 937897776 /nfs/dbraw/zinc/89/77/76/937897776.db2.gz VFZVGUILJRWOQQ-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP CCN(c1ncc2c(c1C#N)CCC[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC001158199749 938594316 /nfs/dbraw/zinc/59/43/16/938594316.db2.gz DRVUNARQXTZFCR-AWEZNQCLSA-N 2 0 299.422 1.567 20 30 CDEDRP CCN(c1ncc2c(c1C#N)CCC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001158199752 938594359 /nfs/dbraw/zinc/59/43/59/938594359.db2.gz DRVUNARQXTZFCR-CQSZACIVSA-N 2 0 299.422 1.567 20 30 CDEDRP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](CC)CC ZINC001158617052 938642143 /nfs/dbraw/zinc/64/21/43/938642143.db2.gz ZJOYZWQVXMLLIW-MRXNPFEDSA-N 2 0 293.455 1.664 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001159335031 938722788 /nfs/dbraw/zinc/72/27/88/938722788.db2.gz PCNJYPCPUOCJEX-AWEZNQCLSA-N 2 0 267.417 1.533 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160870285 938835083 /nfs/dbraw/zinc/83/50/83/938835083.db2.gz WYAAASYQHKJPGG-LSDHHAIUSA-N 2 0 277.412 1.123 20 30 CDEDRP Cc1ncc(C#N)c(-n2cc(CC[NH3+])c3c[nH+]ccc32)n1 ZINC001160945744 938847382 /nfs/dbraw/zinc/84/73/82/938847382.db2.gz JRMBMISHZBNLTH-UHFFFAOYSA-N 2 0 278.319 1.497 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(C#N)cc(C)n1 ZINC001163129155 939207366 /nfs/dbraw/zinc/20/73/66/939207366.db2.gz HSPIGUDDAIBXHS-UHFFFAOYSA-N 2 0 274.372 1.540 20 30 CDEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001163820915 939338072 /nfs/dbraw/zinc/33/80/72/939338072.db2.gz JNNAONYCIOEKQR-OAHLLOKOSA-N 2 0 293.455 1.923 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203316584 939683230 /nfs/dbraw/zinc/68/32/30/939683230.db2.gz HMPXKJOHTLSXHB-KBPBESRZSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203630916 939698260 /nfs/dbraw/zinc/69/82/60/939698260.db2.gz JGGVZKDRYRTBRT-LSDHHAIUSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001204797986 939791793 /nfs/dbraw/zinc/79/17/93/939791793.db2.gz CUOBVLZCWPOUTB-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP N#Cc1ccc(F)c(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205221678 939838326 /nfs/dbraw/zinc/83/83/26/939838326.db2.gz WBCFTWCCXKCDPI-OAHLLOKOSA-N 2 0 277.343 1.373 20 30 CDEDRP N#Cc1cc(F)cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205229560 939839492 /nfs/dbraw/zinc/83/94/92/939839492.db2.gz NQUQAWLBGFJSEH-HNNXBMFYSA-N 2 0 277.343 1.373 20 30 CDEDRP COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205239785 939840881 /nfs/dbraw/zinc/84/08/81/939840881.db2.gz FSVFQWUZFXKYMF-INIZCTEOSA-N 2 0 289.379 1.243 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001208264760 940314320 /nfs/dbraw/zinc/31/43/20/940314320.db2.gz OATNTNJVEXHWRJ-KGLIPLIRSA-N 2 0 285.407 1.433 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001208261613 940314441 /nfs/dbraw/zinc/31/44/41/940314441.db2.gz QSSGWCBILVPRJE-GJZGRUSLSA-N 2 0 299.434 1.823 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208454676 940332643 /nfs/dbraw/zinc/33/26/43/940332643.db2.gz ZFLZEXSEFKELAL-AWEZNQCLSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453928 940887108 /nfs/dbraw/zinc/88/71/08/940887108.db2.gz ZHEZUNHPYZRWBS-UKRRQHHQSA-N 2 0 279.428 1.341 20 30 CDEDRP CC(C)(C#N)c1ccc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])cn1 ZINC001218582399 941240657 /nfs/dbraw/zinc/24/06/57/941240657.db2.gz WTPVJWCGCRRBTA-LBPRGKRZSA-N 2 0 289.383 1.278 20 30 CDEDRP Cc1coc(NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)c1C#N ZINC001218768254 941269014 /nfs/dbraw/zinc/26/90/14/941269014.db2.gz IVBJCHVXEJYLBF-ZDUSSCGKSA-N 2 0 292.383 1.894 20 30 CDEDRP C=CCOc1ccccc1[C@H](C)NC(=O)C[NH2+]CCC[NH3+] ZINC001220663339 941462806 /nfs/dbraw/zinc/46/28/06/941462806.db2.gz CLOLFPIRNQYQOZ-ZDUSSCGKSA-N 2 0 291.395 1.367 20 30 CDEDRP N#Cc1cc(F)cc(C[NH+]2CCC(F)(C[NH3+])CC2)c1 ZINC001222538062 941609966 /nfs/dbraw/zinc/60/99/66/941609966.db2.gz KYNAHYOWMXJCCY-UHFFFAOYSA-N 2 0 265.307 1.960 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001223507426 941682945 /nfs/dbraw/zinc/68/29/45/941682945.db2.gz RYRDYKIMDHVMOL-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001223955647 941710420 /nfs/dbraw/zinc/71/04/20/941710420.db2.gz QPFYVEKFQKTOGX-CVEARBPZSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001225578516 941884076 /nfs/dbraw/zinc/88/40/76/941884076.db2.gz VGUJUTDOMISDAP-UHFFFAOYSA-N 2 0 267.417 1.341 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001226333323 941989023 /nfs/dbraw/zinc/98/90/23/941989023.db2.gz HKMZCWAJKQOCGC-KLHDSHLOSA-N 2 0 291.439 1.367 20 30 CDEDRP C=CCCC[N@H+]1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277780042 943512521 /nfs/dbraw/zinc/51/25/21/943512521.db2.gz ZKOFHDCYPQFFHD-RHSMWYFYSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235356729 944134276 /nfs/dbraw/zinc/13/42/76/944134276.db2.gz YGLWSESYFONPPD-JKSUJKDBSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001265456142 944394535 /nfs/dbraw/zinc/39/45/35/944394535.db2.gz IJPRWIVVJPZVEC-LSDHHAIUSA-N 2 0 281.444 1.729 20 30 CDEDRP C[NH+]1CCC(C#N)(N[C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254511513 947473301 /nfs/dbraw/zinc/47/33/01/947473301.db2.gz BHZHWNXJNISMOO-ZDUSSCGKSA-N 2 0 250.390 1.048 20 30 CDEDRP C[NH2+]CC[C@@H](C)NC(=[NH2+])c1ccc(C(=O)OC)cc1 ZINC001246305964 948094060 /nfs/dbraw/zinc/09/40/60/948094060.db2.gz QZIOHCZEFGBYIV-SNVBAGLBSA-N 2 0 263.341 1.177 20 30 CDEDRP N#CC1(C[NH2+]C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256686707 948394132 /nfs/dbraw/zinc/39/41/32/948394132.db2.gz SWGINMYCFNDGGH-UHFFFAOYSA-N 2 0 263.385 1.523 20 30 CDEDRP C#CC[NH+](CC#C)C1CCC([NH+]2CCOCC2)CC1 ZINC001256696484 948402480 /nfs/dbraw/zinc/40/24/80/948402480.db2.gz FWUWKAHYAVQEGH-UHFFFAOYSA-N 2 0 260.381 1.198 20 30 CDEDRP C=CCC[C@H](O)C[NH2+]C1CC[NH+](CC2CCOCC2)CC1 ZINC001252619899 951510952 /nfs/dbraw/zinc/51/09/52/951510952.db2.gz PEYWLQDKKKPJMI-KRWDZBQOSA-N 2 0 296.455 1.794 20 30 CDEDRP C#CC1(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252947252 951705093 /nfs/dbraw/zinc/70/50/93/951705093.db2.gz ALSMASRSIZIKDG-QGZVFWFLSA-N 2 0 270.376 1.379 20 30 CDEDRP CC[NH+](CC)C[C@@H](O)C[NH2+]CCCCCCS ZINC001253215533 951815833 /nfs/dbraw/zinc/81/58/33/951815833.db2.gz YMQOMOKNJVKXCQ-ZDUSSCGKSA-N 2 0 262.463 1.769 20 30 CDEDRP C=C[C@H](O)CN1CCc2c(C[N@@H+](C)C(C)C)[nH]nc2C1 ZINC001253576312 951963596 /nfs/dbraw/zinc/96/35/96/951963596.db2.gz LXDNXVOHSQMVOE-LBPRGKRZSA-N 2 0 278.400 1.155 20 30 CDEDRP C=C[C@@H](COC)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001324700312 953529597 /nfs/dbraw/zinc/52/95/97/953529597.db2.gz IDGZULXWUCAEBC-ZDUSSCGKSA-N 2 0 261.369 1.841 20 30 CDEDRP CC[NH+]1CCC(N2CCCN(CC3(C#N)CC3)CC2)CC1 ZINC001363798950 953813135 /nfs/dbraw/zinc/81/31/35/953813135.db2.gz DFBVUTKYXOEVFP-UHFFFAOYSA-N 2 0 290.455 1.782 20 30 CDEDRP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317262836 957387353 /nfs/dbraw/zinc/38/73/53/957387353.db2.gz AAXNQZAUNQPERZ-ZIAGYGMSSA-N 2 0 269.433 1.633 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC001335460377 959820467 /nfs/dbraw/zinc/82/04/67/959820467.db2.gz NLJHPQBDOGADEA-HNNXBMFYSA-N 2 0 294.443 1.468 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+](CC)C1CC1 ZINC001340075632 962727172 /nfs/dbraw/zinc/72/71/72/962727172.db2.gz OLNRJPDHUYSIRU-CYBMUJFWSA-N 2 0 253.390 1.271 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1CC[NH3+] ZINC001340296945 962867740 /nfs/dbraw/zinc/86/77/40/962867740.db2.gz LHFSWCAENJPISG-QWHCGFSZSA-N 2 0 253.390 1.400 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001340311612 962883969 /nfs/dbraw/zinc/88/39/69/962883969.db2.gz KXBVAOZUAFBLEA-KFWWJZLASA-N 2 0 281.444 1.885 20 30 CDEDRP C=C(Cl)CN(CC)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001420419135 962885951 /nfs/dbraw/zinc/88/59/51/962885951.db2.gz ATPKUAQWEOFPHW-LBPRGKRZSA-N 2 0 287.835 1.519 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1 ZINC001353967053 968381087 /nfs/dbraw/zinc/38/10/87/968381087.db2.gz OXURBQJPBZBTGB-CQSZACIVSA-N 2 0 261.369 1.445 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001100678147 968930942 /nfs/dbraw/zinc/93/09/42/968930942.db2.gz ABZHPPBRIXSPKF-LMWSTFAQSA-N 2 0 299.846 1.565 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001100685990 968948041 /nfs/dbraw/zinc/94/80/41/968948041.db2.gz ZYYOLCGYQCMBJX-RUXDESIVSA-N 2 0 267.417 1.387 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000849012654 969403636 /nfs/dbraw/zinc/40/36/36/969403636.db2.gz KFFZFSZLEHNKDG-CQSZACIVSA-N 2 0 292.427 1.923 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001501994566 974670951 /nfs/dbraw/zinc/67/09/51/974670951.db2.gz HAQSDBOURGICNE-UHFFFAOYSA-N 2 0 299.846 1.709 20 30 CDEDRP C#CCC[C@H](O)C[NH2+][C@@H]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001574545265 1170992271 /nfs/dbraw/zinc/99/22/71/1170992271.db2.gz PCRKPWKGWLUXGB-LJISPDSOSA-N 2 0 250.386 1.271 20 30 CDEDRP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1 ZINC001574757417 1171005748 /nfs/dbraw/zinc/00/57/48/1171005748.db2.gz OVTLUXIFDQSWTI-HNNXBMFYSA-N 2 0 285.391 1.538 20 30 CDEDRP C=C(CC[NH+](C)C)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC001574849770 1171026857 /nfs/dbraw/zinc/02/68/57/1171026857.db2.gz QSDLHBUIOPLXMQ-UHFFFAOYSA-N 2 0 277.368 1.471 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592255985 342683199 /nfs/dbraw/zinc/68/31/99/342683199.db2.gz VLFXTXUALYBUTI-ZNMIVQPWSA-N 2 0 292.427 1.246 20 30 CDEDRP N#Cc1ccc(CC[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000595896101 343183158 /nfs/dbraw/zinc/18/31/58/343183158.db2.gz ZOLPZBRREKTRHX-QGZVFWFLSA-N 2 0 299.418 1.788 20 30 CDEDRP C=CCNC(=[NH2+])NCc1cccc(C[N@@H+](C)CC)c1 ZINC000264108488 362969360 /nfs/dbraw/zinc/96/93/60/362969360.db2.gz QBJVSULYXXHPQB-UHFFFAOYSA-N 2 0 260.385 1.729 20 30 CDEDRP CNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000264112166 362971048 /nfs/dbraw/zinc/97/10/48/362971048.db2.gz PFFJGBYYPSVSEL-CYBMUJFWSA-N 2 0 274.412 1.953 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cccs1 ZINC000264152158 362980638 /nfs/dbraw/zinc/98/06/38/362980638.db2.gz ZOIWPJNHDNJKOM-LBPRGKRZSA-N 2 0 280.441 1.679 20 30 CDEDRP CC[NH+]=C(NCc1cccnc1-n1ccnc1)N[C@H]1C[C@@H]1C ZINC000176386295 366332728 /nfs/dbraw/zinc/33/27/28/366332728.db2.gz YTJPLCDYTDDTMT-JSGCOSHPSA-N 2 0 298.394 1.731 20 30 CDEDRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000539440128 359012954 /nfs/dbraw/zinc/01/29/54/359012954.db2.gz VTGKGJUTPBUECK-UHFFFAOYSA-N 2 0 292.452 1.737 20 30 CDEDRP C=CCOCCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000348029565 359779091 /nfs/dbraw/zinc/77/90/91/359779091.db2.gz FWCVWWVHWTWKPR-ARFHVFGLSA-N 2 0 282.428 1.763 20 30 CDEDRP C=CCN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000192839229 373645519 /nfs/dbraw/zinc/64/55/19/373645519.db2.gz AYHFQGBUXVSGHG-MQVJKMGUSA-N 2 0 263.429 1.852 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362801002 391133044 /nfs/dbraw/zinc/13/30/44/391133044.db2.gz JYLSNCKOPSOHAP-UKRRQHHQSA-N 2 0 279.428 1.341 20 30 CDEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000345116408 392019971 /nfs/dbraw/zinc/01/99/71/392019971.db2.gz VUEBXSDWLMUPJY-GJZGRUSLSA-N 2 0 294.443 1.553 20 30 CDEDRP C[NH+](C)CCN1CCC([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000343298480 152110396 /nfs/dbraw/zinc/11/03/96/152110396.db2.gz ZNTCBMGTOYUCAD-UHFFFAOYSA-N 2 0 292.452 1.735 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cnc2n1CCC2 ZINC000657454557 414349157 /nfs/dbraw/zinc/34/91/57/414349157.db2.gz LZLGZDADZAHUNH-DOMZBBRYSA-N 2 0 261.369 1.900 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001666425334 1173134130 /nfs/dbraw/zinc/13/41/30/1173134130.db2.gz UMPLPFSNJGHTKB-ZIAGYGMSSA-N 2 0 285.407 1.433 20 30 CDEDRP CC#CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173955098 261175157 /nfs/dbraw/zinc/17/51/57/261175157.db2.gz ZFZXLPSTJKTQOE-UHFFFAOYSA-N 2 0 250.386 1.587 20 30 CDEDRP [NH2+]=C(NCc1cccc(C[NH+]2CCCC2)c1)NC1CC1 ZINC000195522358 262251935 /nfs/dbraw/zinc/25/19/35/262251935.db2.gz IYTKSMHDOHSUGL-UHFFFAOYSA-N 2 0 272.396 1.849 20 30 CDEDRP C=CC[N@@H+](CCC[NH3+])[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000414747491 263037634 /nfs/dbraw/zinc/03/76/34/263037634.db2.gz ULHYFNSRXIWEIL-CYBMUJFWSA-N 2 0 286.383 1.560 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@@H](C)[NH3+])C(C)C ZINC000340186210 263084265 /nfs/dbraw/zinc/08/42/65/263084265.db2.gz ZLKFWELXCLSIIA-ZIAGYGMSSA-N 2 0 267.417 1.539 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1occc1C ZINC000291897761 263126464 /nfs/dbraw/zinc/12/64/64/263126464.db2.gz KJKPSFPUCAUQCN-GFCCVEGCSA-N 2 0 264.373 1.477 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@]1(F)CC[NH2+]C1)C(C)C ZINC000165202791 264209630 /nfs/dbraw/zinc/20/96/30/264209630.db2.gz DECRTHGWCBRROR-HOCLYGCPSA-N 2 0 297.418 1.503 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C[NH+](C)C)C(C)C ZINC000133118368 277850253 /nfs/dbraw/zinc/85/02/53/277850253.db2.gz LDIJIURHRGVUAK-CQSZACIVSA-N 2 0 267.417 1.363 20 30 CDEDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185779053 329331619 /nfs/dbraw/zinc/33/16/19/329331619.db2.gz JNXAQUBSJYYPDC-OWCLPIDISA-N 2 0 278.444 1.684 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000358785622 328895157 /nfs/dbraw/zinc/89/51/57/328895157.db2.gz IGVLOWRDJGGNGG-UHFFFAOYSA-N 2 0 294.443 1.420 20 30 CDEDRP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001698869747 1159149542 /nfs/dbraw/zinc/14/95/42/1159149542.db2.gz AORLYLOKKRVEID-HUUCEWRRSA-N 2 0 279.428 1.224 20 30 CDEDRP C[C@H]1CCC[C@](C[NH+]=C(N(C)C)N(C)C)([NH+](C)C)C1 ZINC000261998737 329996058 /nfs/dbraw/zinc/99/60/58/329996058.db2.gz OPKGKHZTEDNXGS-ZFWWWQNUSA-N 2 0 268.449 1.976 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CCCO1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262504806 330018537 /nfs/dbraw/zinc/01/85/37/330018537.db2.gz ZOLHWYJYOURZTB-CABCVRRESA-N 2 0 294.443 1.301 20 30 CDEDRP CN1CC[NH+]=C1NCC1([NH+]2CCSCC2)CCCC1 ZINC000262655377 330024806 /nfs/dbraw/zinc/02/48/06/330024806.db2.gz LLROHZPYWOLJKF-UHFFFAOYSA-N 2 0 282.457 1.239 20 30 CDEDRP [NH2+]=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)NC1CCCC1 ZINC000262714167 330028470 /nfs/dbraw/zinc/02/84/70/330028470.db2.gz DDHXRULCFIGZPH-AWEZNQCLSA-N 2 0 264.417 1.850 20 30 CDEDRP C=CCOc1cccc(C[NH2+]CC2(O)CC[NH+](C)CC2)c1 ZINC000265918076 330063455 /nfs/dbraw/zinc/06/34/55/330063455.db2.gz ZNXVDPNCWNVIPT-UHFFFAOYSA-N 2 0 290.407 1.798 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423382188 330199304 /nfs/dbraw/zinc/19/93/04/330199304.db2.gz OCCNYUQQCXLWHT-TZMCWYRMSA-N 2 0 265.401 1.141 20 30 CDEDRP C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)CN1CC[NH+](C)CC1 ZINC000442800199 330784561 /nfs/dbraw/zinc/78/45/61/330784561.db2.gz ZARVVKJYDGMAFG-ILXRZTDVSA-N 2 0 264.417 1.152 20 30 CDEDRP C#CCN1CCN(C(=O)C[N@@H+](C)[C@H](C)CCCC)CC1 ZINC000491642967 332262003 /nfs/dbraw/zinc/26/20/03/332262003.db2.gz ZHIDBHBXUJZBDB-OAHLLOKOSA-N 2 0 279.428 1.274 20 30 CDEDRP C#CCC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001754569383 1159281899 /nfs/dbraw/zinc/28/18/99/1159281899.db2.gz NECCDYICBBLBGH-KRWDZBQOSA-N 2 0 291.439 1.276 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001755325030 1159835059 /nfs/dbraw/zinc/83/50/59/1159835059.db2.gz RXGBQCWCMRGTKI-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001755847459 1160625794 /nfs/dbraw/zinc/62/57/94/1160625794.db2.gz AAWFLFOXMCKRCB-HNNXBMFYSA-N 2 0 293.455 1.568 20 30 CDEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@H]1C ZINC001088858203 1161023589 /nfs/dbraw/zinc/02/35/89/1161023589.db2.gz SOEIVMJREPKFIA-ZNMIVQPWSA-N 2 0 277.412 1.073 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106322114 1161143623 /nfs/dbraw/zinc/14/36/23/1161143623.db2.gz KBHBWTLJOYBKKV-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089559421 1161219709 /nfs/dbraw/zinc/21/97/09/1161219709.db2.gz OIJFYGPKIJCMDF-LSDHHAIUSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH2+]CCN(CC)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001754084609 1185453963 /nfs/dbraw/zinc/45/39/63/1185453963.db2.gz KGJWXKRGCZBIDK-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001113343858 1162158889 /nfs/dbraw/zinc/15/88/89/1162158889.db2.gz HCZJEQMLGZTSGD-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000049557026 524161549 /nfs/dbraw/zinc/16/15/49/524161549.db2.gz VJWOEMFHXRRAQW-HIFRSBDPSA-N 2 0 291.395 1.228 20 30 CDEDRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000190853468 534945564 /nfs/dbraw/zinc/94/55/64/534945564.db2.gz GSJIIXKRGIITGW-ZDUSSCGKSA-N 2 0 260.385 1.718 20 30 CDEDRP COC[C@H](CCC[NH3+])[NH2+]CCc1cccc(C#N)c1 ZINC000423112013 536850339 /nfs/dbraw/zinc/85/03/39/536850339.db2.gz XCRLLPXRGIYZRB-HNNXBMFYSA-N 2 0 261.369 1.444 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000764608140 575925530 /nfs/dbraw/zinc/92/55/30/575925530.db2.gz BNURSJFPZCNCRK-STQMWFEESA-N 2 0 253.390 1.093 20 30 CDEDRP C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](CC(C)C)C2)CC1 ZINC000748824805 576928092 /nfs/dbraw/zinc/92/80/92/576928092.db2.gz OLNBFBLQRXFRFG-MRXNPFEDSA-N 2 0 291.439 1.132 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000970169168 612962248 /nfs/dbraw/zinc/96/22/48/612962248.db2.gz QNJQFZRRAAZQFW-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CCC[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000981953688 613002566 /nfs/dbraw/zinc/00/25/66/613002566.db2.gz RKXUVCNPTXJDJA-HNNXBMFYSA-N 2 0 277.412 1.028 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000950521118 613257924 /nfs/dbraw/zinc/25/79/24/613257924.db2.gz CMMAJRDARXMEAE-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000971730534 613289837 /nfs/dbraw/zinc/28/98/37/613289837.db2.gz QQQPFXAAXDHWOF-GJZGRUSLSA-N 2 0 281.444 1.681 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000981954388 613308526 /nfs/dbraw/zinc/30/85/26/613308526.db2.gz BCJAYRXUSDQDNT-HNNXBMFYSA-N 2 0 279.428 1.439 20 30 CDEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000969791529 613483105 /nfs/dbraw/zinc/48/31/05/613483105.db2.gz FPXQNJSJIZBDMA-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000971686282 613612532 /nfs/dbraw/zinc/61/25/32/613612532.db2.gz CBNSNUYHHSJXAE-CQSZACIVSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC000982013525 613680740 /nfs/dbraw/zinc/68/07/40/613680740.db2.gz UMGGLGWOUVEBTJ-CABCVRRESA-N 2 0 291.439 1.295 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974588130 613807655 /nfs/dbraw/zinc/80/76/55/613807655.db2.gz OEETXASKFXEUCB-HUUCEWRRSA-N 2 0 291.439 1.341 20 30 CDEDRP C=CC[NH+]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977473228 613826733 /nfs/dbraw/zinc/82/67/33/613826733.db2.gz WMUAQQYHPMKBOC-KBPBESRZSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000963625613 613858598 /nfs/dbraw/zinc/85/85/98/613858598.db2.gz RDTOZEYEUBELCW-SWAPUOLTSA-N 2 0 277.412 1.284 20 30 CDEDRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000903823963 626103933 /nfs/dbraw/zinc/10/39/33/626103933.db2.gz MMGXDQDUHRRSAW-QGZVFWFLSA-N 2 0 287.407 1.708 20 30 CDEDRP COCC[NH+]=C(NC[C@@H]1CC[N@@H+](C(C)C)C1)NC(C)(C)C ZINC000912510060 630049551 /nfs/dbraw/zinc/04/95/51/630049551.db2.gz YMRMJZDIVCJRCQ-AWEZNQCLSA-N 2 0 298.475 1.697 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129422432 1162471756 /nfs/dbraw/zinc/47/17/56/1162471756.db2.gz IRZKDSNALUTYTE-AWEZNQCLSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130189806 1162566083 /nfs/dbraw/zinc/56/60/83/1162566083.db2.gz SGCLBUSYIIKBQI-CABCVRRESA-N 2 0 279.428 1.675 20 30 CDEDRP C=CC[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131835457 1163076382 /nfs/dbraw/zinc/07/63/82/1163076382.db2.gz VKXVPHYEQJMXID-UHFFFAOYSA-N 2 0 253.390 1.143 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108757319 1162022654 /nfs/dbraw/zinc/02/26/54/1162022654.db2.gz JEBLFNOBURLKFR-XHSDSOJGSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133823377 1163910959 /nfs/dbraw/zinc/91/09/59/1163910959.db2.gz DQUAWMWXEVNQDA-ZDUSSCGKSA-N 2 0 253.390 1.143 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001700184673 1176788871 /nfs/dbraw/zinc/78/88/71/1176788871.db2.gz NJGHJSFRVOQLQJ-JKSUJKDBSA-N 2 0 293.455 1.567 20 30 CDEDRP C=CCC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC001717897197 1180919704 /nfs/dbraw/zinc/91/97/04/1180919704.db2.gz GPPJGZRTJZFJDP-KGLIPLIRSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001753459075 1184544531 /nfs/dbraw/zinc/54/45/31/1184544531.db2.gz LAGGVTGOCPPVRT-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001752788525 1184914382 /nfs/dbraw/zinc/91/43/82/1184914382.db2.gz LZEDBTVGTNUINY-AWEZNQCLSA-N 2 0 267.417 1.342 20 30 CDEDRP CC#CC[N@H+](CCNC(=O)CCC[NH+]1CCCC1)C1CC1 ZINC001753164713 1185096995 /nfs/dbraw/zinc/09/69/95/1185096995.db2.gz DURFEOYWYCKVOP-UHFFFAOYSA-N 2 0 291.439 1.466 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001753336599 1185161840 /nfs/dbraw/zinc/16/18/40/1185161840.db2.gz WQOPNYZGDOEQGR-OAHLLOKOSA-N 2 0 293.455 1.733 20 30 CDEDRP CC#CC[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753626051 1185275233 /nfs/dbraw/zinc/27/52/33/1185275233.db2.gz OENVEXRRCNKVAT-AWEZNQCLSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001753695458 1185304661 /nfs/dbraw/zinc/30/46/61/1185304661.db2.gz QKSYJOQELVUMIK-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001753695457 1185305012 /nfs/dbraw/zinc/30/50/12/1185305012.db2.gz QKSYJOQELVUMIK-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001753729360 1185319732 /nfs/dbraw/zinc/31/97/32/1185319732.db2.gz RHISOCNLHYMOCG-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001754179628 1185495488 /nfs/dbraw/zinc/49/54/88/1185495488.db2.gz LUWOOUKXQPMNGS-WAVCKPEOSA-N 2 0 291.439 1.535 20 30 CDEDRP C=CCCC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001754274088 1185544995 /nfs/dbraw/zinc/54/49/95/1185544995.db2.gz TUNZEHQKTJTUSJ-AWEZNQCLSA-N 2 0 279.428 1.675 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001754500153 1185646385 /nfs/dbraw/zinc/64/63/85/1185646385.db2.gz LHBBBALTTCEOCP-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001754505126 1185648534 /nfs/dbraw/zinc/64/85/34/1185648534.db2.gz LABLQNVXHIFIDO-HNNXBMFYSA-N 2 0 279.428 1.629 20 30 CDEDRP C=CCC[NH+]1CCC(C)(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001754628985 1185689633 /nfs/dbraw/zinc/68/96/33/1185689633.db2.gz NEQZGUFXSTXECC-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001754952405 1185769069 /nfs/dbraw/zinc/76/90/69/1185769069.db2.gz BKMNTULDBSMUNP-YOEHRIQHSA-N 2 0 299.418 1.681 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001755251396 1185877945 /nfs/dbraw/zinc/87/79/45/1185877945.db2.gz YXBMSIBGXZXWNN-KBPBESRZSA-N 2 0 281.444 1.777 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001755260332 1185879851 /nfs/dbraw/zinc/87/98/51/1185879851.db2.gz OUCOAFQEUMOORA-CABCVRRESA-N 2 0 281.444 1.777 20 30 CDEDRP C=CCC[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001755301742 1185901874 /nfs/dbraw/zinc/90/18/74/1185901874.db2.gz RLIMEMDRIJRVNM-ZDUSSCGKSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001755320829 1185913544 /nfs/dbraw/zinc/91/35/44/1185913544.db2.gz ZSJUDKBGDZEFCD-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001755562488 1185991922 /nfs/dbraw/zinc/99/19/22/1185991922.db2.gz PHRWZVBITRSVKR-BPLDGKMQSA-N 2 0 279.428 1.339 20 30 CDEDRP C=CCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC001755761749 1186060058 /nfs/dbraw/zinc/06/00/58/1186060058.db2.gz NUCLXCSIUBCTQE-HNNXBMFYSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001755837132 1186085343 /nfs/dbraw/zinc/08/53/43/1186085343.db2.gz JLKMUWIVRHYPTB-CQSZACIVSA-N 2 0 279.428 1.226 20 30 CDEDRP CN(C[C@@H](O)c1cccc(C#N)c1)C[C@@H]1CCC[NH2+]C1 ZINC000402260142 1186440578 /nfs/dbraw/zinc/44/05/78/1186440578.db2.gz RRAQNRRMUMINOG-GDBMZVCRSA-N 2 0 273.380 1.523 20 30 CDEDRP CC[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCC[C@H](C)C2)C1 ZINC000303878762 1186582032 /nfs/dbraw/zinc/58/20/32/1186582032.db2.gz JHBWTCUQYNXUKW-KBPBESRZSA-N 2 0 266.433 1.765 20 30 CDEDRP C=C[C@@H](CC)CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000932035716 818038085 /nfs/dbraw/zinc/03/80/85/818038085.db2.gz ZKAMELKVEPIJOI-AWEZNQCLSA-N 2 0 269.433 1.541 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009225507 818049253 /nfs/dbraw/zinc/04/92/53/818049253.db2.gz MQAURPZHDFQPKS-AWEZNQCLSA-N 2 0 277.412 1.239 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001007456290 818066642 /nfs/dbraw/zinc/06/66/42/818066642.db2.gz FUWURIZSNKUGBI-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001019274956 818245572 /nfs/dbraw/zinc/24/55/72/818245572.db2.gz WFFXQTYUCJZUNX-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001041402341 818275383 /nfs/dbraw/zinc/27/53/83/818275383.db2.gz HRMHOCGYDMOVBV-WBVHZDCISA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001074655010 818313756 /nfs/dbraw/zinc/31/37/56/818313756.db2.gz RBFGFHNDDNHYPW-BPUTZDHNSA-N 2 0 291.439 1.483 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2ccnc2)[C@H]1C ZINC001074927731 818345900 /nfs/dbraw/zinc/34/59/00/818345900.db2.gz QHJHONNYJLAHPY-RDBSUJKOSA-N 2 0 276.384 1.599 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014724874 818417918 /nfs/dbraw/zinc/41/79/18/818417918.db2.gz XSDDLHWIWHIBTK-ZBFHGGJFSA-N 2 0 291.439 1.770 20 30 CDEDRP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH]cn3)C2)C1 ZINC001041345328 818486432 /nfs/dbraw/zinc/48/64/32/818486432.db2.gz KCTGLGNZUJHPCD-INIZCTEOSA-N 2 0 288.395 1.453 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033230175 818524706 /nfs/dbraw/zinc/52/47/06/818524706.db2.gz KQNLPNPEYBJILQ-HNNXBMFYSA-N 2 0 296.374 1.504 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001028639483 818539585 /nfs/dbraw/zinc/53/95/85/818539585.db2.gz YNMVLERYYDCUNF-ZIAGYGMSSA-N 2 0 288.395 1.070 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001019189266 818641423 /nfs/dbraw/zinc/64/14/23/818641423.db2.gz DGXZBNVDZBEKBS-GJZGRUSLSA-N 2 0 277.412 1.237 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071995549 818647574 /nfs/dbraw/zinc/64/75/74/818647574.db2.gz LMTFRFUKXSEZPS-GJZGRUSLSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001049721290 818658394 /nfs/dbraw/zinc/65/83/94/818658394.db2.gz ZRYLSWUPXILJKL-ARFHVFGLSA-N 2 0 291.439 1.580 20 30 CDEDRP CCN(CC)C(=[NH2+])NCCCC[NH+]1CCN(CC)CC1 ZINC000303910198 818670679 /nfs/dbraw/zinc/67/06/79/818670679.db2.gz YRNOYPGNRJIHQR-UHFFFAOYSA-N 2 0 283.464 1.061 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCCCCC)CC1 ZINC000928658438 818784212 /nfs/dbraw/zinc/78/42/12/818784212.db2.gz SEOQVPWOMBJKKN-UHFFFAOYSA-N 2 0 293.455 1.712 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999599195 818893183 /nfs/dbraw/zinc/89/31/83/818893183.db2.gz XFSOOHHPGBOSBE-CQSZACIVSA-N 2 0 277.412 1.381 20 30 CDEDRP Cc1ccc([C@@H](CNC(=[NH2+])N2CCOCC2)N(C)C)cc1 ZINC000104176076 819008568 /nfs/dbraw/zinc/00/85/68/819008568.db2.gz FGDPZEPMIKNDSD-OAHLLOKOSA-N 2 0 290.411 1.245 20 30 CDEDRP C=CCOCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134660 819025241 /nfs/dbraw/zinc/02/52/41/819025241.db2.gz NMPVFINEHMNKFP-CQSZACIVSA-N 2 0 261.369 1.795 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039030382 819091491 /nfs/dbraw/zinc/09/14/91/819091491.db2.gz ZGWXKZQQDCISMA-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+]1CCC2 ZINC001032497906 819186309 /nfs/dbraw/zinc/18/63/09/819186309.db2.gz DCJDDDRCPBULFN-GJZGRUSLSA-N 2 0 289.423 1.476 20 30 CDEDRP CC#CCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001038446299 819206873 /nfs/dbraw/zinc/20/68/73/819206873.db2.gz ZEYFGZJHLSNNEO-HOTGVXAUSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033199843 819331456 /nfs/dbraw/zinc/33/14/56/819331456.db2.gz ZMUIQWYINDCTQP-KBPBESRZSA-N 2 0 265.401 1.189 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001036059201 819339989 /nfs/dbraw/zinc/33/99/89/819339989.db2.gz CXKBYAIDKVZJTR-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP CN1CC[NH+]=C1NCCC[N@H+](C)C1CCCCC1 ZINC000385050396 819405240 /nfs/dbraw/zinc/40/52/40/819405240.db2.gz NOEOTPLUGDAPCA-UHFFFAOYSA-N 2 0 252.406 1.532 20 30 CDEDRP C#CCC[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000162118787 819450874 /nfs/dbraw/zinc/45/08/74/819450874.db2.gz UBSWEUTUYFROKB-UHFFFAOYSA-N 2 0 263.429 1.503 20 30 CDEDRP C#CCN1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001015795780 819554550 /nfs/dbraw/zinc/55/45/50/819554550.db2.gz RXWVPZVYGMQOHY-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001020149905 819885733 /nfs/dbraw/zinc/88/57/33/819885733.db2.gz GXVBTUXBBMBJNX-TUVASFSCSA-N 2 0 277.412 1.284 20 30 CDEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001034690040 820045546 /nfs/dbraw/zinc/04/55/46/820045546.db2.gz IWIHOTKQILDCHG-SHTZXODSSA-N 2 0 296.374 1.598 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001022195587 820062145 /nfs/dbraw/zinc/06/21/45/820062145.db2.gz DLSXAOJYIVXWQH-OAGGEKHMSA-N 2 0 293.455 1.777 20 30 CDEDRP C#C[C@H](NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000849045494 820338373 /nfs/dbraw/zinc/33/83/73/820338373.db2.gz KSLNWLPZTJWRBA-HOTGVXAUSA-N 2 0 284.407 1.959 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000987121986 820358818 /nfs/dbraw/zinc/35/88/18/820358818.db2.gz BESVCXPTUJZFRR-DZGCQCFKSA-N 2 0 279.428 1.483 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH+]1CCCCCC1 ZINC000303876043 820361296 /nfs/dbraw/zinc/36/12/96/820361296.db2.gz DOPLLPILQVRIRL-HNNXBMFYSA-N 3 0 295.475 1.251 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)CC1(C)C ZINC000996398132 820406238 /nfs/dbraw/zinc/40/62/38/820406238.db2.gz GBYABVBYBSLZNN-JSGCOSHPSA-N 2 0 290.411 1.601 20 30 CDEDRP CN1CC[NH+]=C1NCCCCCCC[NH+]1CCCC1 ZINC000848997007 820497459 /nfs/dbraw/zinc/49/74/59/820497459.db2.gz GJJPYSKATITIHR-UHFFFAOYSA-N 2 0 266.433 1.924 20 30 CDEDRP C=C(Cl)CNC(N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)=[NH+]CC ZINC000262004057 820811971 /nfs/dbraw/zinc/81/19/71/820811971.db2.gz VCCIUVAVABLPEC-ZWNOBZJWSA-N 2 0 284.835 1.777 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)Cc2ncc[nH]2)CC1 ZINC001034761704 820828833 /nfs/dbraw/zinc/82/88/33/820828833.db2.gz RSVUAYVDNZTBJG-HAQNSBGRSA-N 2 0 262.357 1.155 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC000989393434 820863702 /nfs/dbraw/zinc/86/37/02/820863702.db2.gz ZVKNNAUTAFFHRL-JSGCOSHPSA-N 2 0 299.846 1.660 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001036094128 820977810 /nfs/dbraw/zinc/97/78/10/820977810.db2.gz OVOUJQFTQWKBSJ-XJKSGUPXSA-N 2 0 296.374 1.408 20 30 CDEDRP C#CCN1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001046316814 821093664 /nfs/dbraw/zinc/09/36/64/821093664.db2.gz RIVFADZGJLTFIR-GDBMZVCRSA-N 2 0 277.412 1.073 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001752950800 1166985240 /nfs/dbraw/zinc/98/52/40/1166985240.db2.gz BDVSCDRFDQUBCD-JKSUJKDBSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034793154 821209785 /nfs/dbraw/zinc/20/97/85/821209785.db2.gz QOICTERGVCDVNH-RBSFLKMASA-N 2 0 279.428 1.531 20 30 CDEDRP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001045533083 821314087 /nfs/dbraw/zinc/31/40/87/821314087.db2.gz BIZTZIVBCIDRDI-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCN3C)CCC[C@H]12 ZINC000990013334 821464283 /nfs/dbraw/zinc/46/42/83/821464283.db2.gz ICCDNRBFUILLIL-HLLBOEOZSA-N 2 0 291.439 1.770 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001038632312 821810547 /nfs/dbraw/zinc/81/05/47/821810547.db2.gz XDJVSEOLGNIRFG-SOUVJXGZSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001050456210 821818759 /nfs/dbraw/zinc/81/87/59/821818759.db2.gz DBAWQEHLVKUXOY-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP COc1ccc(OC)c(NC(=[NH2+])NCCC[NH+](C)C)c1 ZINC000303708289 821827874 /nfs/dbraw/zinc/82/78/74/821827874.db2.gz NBTZNYNTZWALLY-UHFFFAOYSA-N 2 0 280.372 1.382 20 30 CDEDRP C#C[C@H](CC)NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000854069324 821834674 /nfs/dbraw/zinc/83/46/74/821834674.db2.gz RQLDZKUOJJQKER-OAHLLOKOSA-N 2 0 296.459 1.313 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001008983621 821838481 /nfs/dbraw/zinc/83/84/81/821838481.db2.gz XWVNPESXQFKYPF-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001029001729 821868953 /nfs/dbraw/zinc/86/89/53/821868953.db2.gz BOUZZAGNBDBFNX-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP C[C@@H](C[NH+]=C(N(C)C)N(C)C)[N@@H+]1CCCC[C@H]1C ZINC000262021935 821957423 /nfs/dbraw/zinc/95/74/23/821957423.db2.gz YBRQACBALKFOJD-OLZOCXBDSA-N 2 0 254.422 1.729 20 30 CDEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000304764664 822006093 /nfs/dbraw/zinc/00/60/93/822006093.db2.gz YIPRXLNLLHVSAR-UONOGXRCSA-N 2 0 266.433 1.907 20 30 CDEDRP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528493 822017258 /nfs/dbraw/zinc/01/72/58/822017258.db2.gz OAJUZXKIAQNKPJ-HNNXBMFYSA-N 2 0 279.428 1.629 20 30 CDEDRP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024447398 822029661 /nfs/dbraw/zinc/02/96/61/822029661.db2.gz VXRHHGFUTMALIX-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C)C[N@@H+](CC)CCC ZINC000794217547 822177972 /nfs/dbraw/zinc/17/79/72/822177972.db2.gz NNPIXWPLOYMEOE-CYBMUJFWSA-N 2 0 255.406 1.341 20 30 CDEDRP C[C@H]1CCCN(C(=[NH2+])NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000304758496 822195469 /nfs/dbraw/zinc/19/54/69/822195469.db2.gz QDDSFCSLCWJKGY-QWHCGFSZSA-N 2 0 252.406 1.375 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995899048 822214223 /nfs/dbraw/zinc/21/42/23/822214223.db2.gz VFMXLDNINYQXAV-GJZGRUSLSA-N 2 0 293.455 1.729 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039030379 822249314 /nfs/dbraw/zinc/24/93/14/822249314.db2.gz ZGWXKZQQDCISMA-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP C[C@@H]1CCC[C@@](CNC(=[NH2+])N(C)C2CC2)([NH+](C)C)C1 ZINC000305816030 822363183 /nfs/dbraw/zinc/36/31/83/822363183.db2.gz MGEPWXQGBFERBP-IUODEOHRSA-N 2 0 266.433 1.906 20 30 CDEDRP C#CCN(C)CCC[NH2+]C1CC(OC(C)(C)C)C1 ZINC000815652859 822414478 /nfs/dbraw/zinc/41/44/78/822414478.db2.gz XIGGMVZZUYZBQJ-UHFFFAOYSA-N 2 0 252.402 1.877 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999972603 822418184 /nfs/dbraw/zinc/41/81/84/822418184.db2.gz HAVGCVLXTJYSTH-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001016827518 822480056 /nfs/dbraw/zinc/48/00/56/822480056.db2.gz WVIAIPYYPBCCFE-GJZGRUSLSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C1CCC1 ZINC001049515213 822509969 /nfs/dbraw/zinc/50/99/69/822509969.db2.gz MJSDYGQZRSQYOF-HOTGVXAUSA-N 2 0 289.423 1.169 20 30 CDEDRP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001042358163 822541654 /nfs/dbraw/zinc/54/16/54/822541654.db2.gz NZRDNDMBIMWRDO-HOTGVXAUSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001038241868 822578990 /nfs/dbraw/zinc/57/89/90/822578990.db2.gz WVKUMCCCHRNWRQ-GJZGRUSLSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001028759508 822632069 /nfs/dbraw/zinc/63/20/69/822632069.db2.gz VYHGCZHPSAWKBQ-CVEARBPZSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027449729 822637163 /nfs/dbraw/zinc/63/71/63/822637163.db2.gz GBQQJIAAZCMNJE-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155994514 1167281255 /nfs/dbraw/zinc/28/12/55/1167281255.db2.gz XNOXZFKFDBUDLF-OAHLLOKOSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001215977098 1167369905 /nfs/dbraw/zinc/36/99/05/1167369905.db2.gz FJLABHDZCAORHV-BZUAXINKSA-N 2 0 295.471 1.975 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106112467 912855743 /nfs/dbraw/zinc/85/57/43/912855743.db2.gz LIRGSOIEKUFNFX-OAGGEKHMSA-N 2 0 293.455 1.729 20 30 CDEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001174959738 913417670 /nfs/dbraw/zinc/41/76/70/913417670.db2.gz BWHRSHKFMOCCLP-HNNXBMFYSA-N 2 0 281.444 1.616 20 30 CDEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176023793 913902882 /nfs/dbraw/zinc/90/28/82/913902882.db2.gz INOZDYSFJGADFZ-OAHLLOKOSA-N 2 0 281.444 1.616 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127344593 913952451 /nfs/dbraw/zinc/95/24/51/913952451.db2.gz NWRDEIHKTPTURS-OAHLLOKOSA-N 2 0 293.455 1.923 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001203202851 895552779 /nfs/dbraw/zinc/55/27/79/895552779.db2.gz BZLUSVSDSNLHAH-UHFFFAOYSA-N 2 0 287.835 1.661 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176328350 914052803 /nfs/dbraw/zinc/05/28/03/914052803.db2.gz UFDFRUCLSIIXLH-UHFFFAOYSA-N 2 0 281.444 1.925 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267067089 896674451 /nfs/dbraw/zinc/67/44/51/896674451.db2.gz NGIXNRFCZLBLJO-GJZGRUSLSA-N 2 0 281.444 1.587 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001023446834 897566370 /nfs/dbraw/zinc/56/63/70/897566370.db2.gz YZOANTYDXGUHKW-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104625345 898808286 /nfs/dbraw/zinc/80/82/86/898808286.db2.gz HZJKCFAXTGGNGY-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1CC ZINC001087711319 905786880 /nfs/dbraw/zinc/78/68/80/905786880.db2.gz WTQHVJSQGJMWHK-LSDHHAIUSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203699455 921368607 /nfs/dbraw/zinc/36/86/07/921368607.db2.gz MIUVNKOMCIBFDK-CYBMUJFWSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110159330 910677181 /nfs/dbraw/zinc/67/71/81/910677181.db2.gz LCAYQTCBRYCDOE-ILXRZTDVSA-N 2 0 277.412 1.071 20 30 CDEDRP C#C[C@H]1CCC[N@@H+](C2CCN(CCCOC)CC2)C1 ZINC001172253597 911530624 /nfs/dbraw/zinc/53/06/24/911530624.db2.gz VYEBRCPVVREIJJ-HNNXBMFYSA-N 2 0 264.413 1.833 20 30 CDEDRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001120483568 911980339 /nfs/dbraw/zinc/98/03/39/911980339.db2.gz ABWROXFGLAALIW-ZIAGYGMSSA-N 2 0 267.417 1.607 20 30 CDEDRP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001178045235 915118744 /nfs/dbraw/zinc/11/87/44/915118744.db2.gz GXYALNXISQWKAF-HNNXBMFYSA-N 2 0 281.444 1.923 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001106910598 915633802 /nfs/dbraw/zinc/63/38/02/915633802.db2.gz FSCHHKVHWXGFEK-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001179591099 915887873 /nfs/dbraw/zinc/88/78/73/915887873.db2.gz PFSWHLSLVOCFCG-UHFFFAOYSA-N 2 0 293.455 1.618 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001179580592 915908656 /nfs/dbraw/zinc/90/86/56/915908656.db2.gz JHAYVZXOWYIGCL-HNNXBMFYSA-N 2 0 281.444 1.923 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)C[NH+](CC)CC ZINC001179850544 916010412 /nfs/dbraw/zinc/01/04/12/916010412.db2.gz GMLQFMKLHLBOCU-UHFFFAOYSA-N 2 0 281.444 1.618 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001180226663 916205897 /nfs/dbraw/zinc/20/58/97/916205897.db2.gz FXJOHSUTENWIQI-KBPBESRZSA-N 2 0 267.417 1.482 20 30 CDEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001181895847 917451408 /nfs/dbraw/zinc/45/14/08/917451408.db2.gz GTAOICNJKCXYNT-BFYDXBDKSA-N 2 0 295.471 1.977 20 30 CDEDRP C[NH+](C)CCCN1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254670918 936441691 /nfs/dbraw/zinc/44/16/91/936441691.db2.gz NGOJFUPDPHYVEG-HUUCEWRRSA-N 2 0 264.417 1.248 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001032455977 919150540 /nfs/dbraw/zinc/15/05/40/919150540.db2.gz GWWFBVKEHBMWMJ-JYJNAYRXSA-N 2 0 291.439 1.722 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001185062105 919386996 /nfs/dbraw/zinc/38/69/96/919386996.db2.gz RFSHUTXPJCGQOK-ZBFHGGJFSA-N 2 0 293.455 1.588 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001185031509 919389827 /nfs/dbraw/zinc/38/98/27/919389827.db2.gz PWMWPHKRDFBHRW-CVEARBPZSA-N 2 0 293.455 1.426 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001185446675 919591590 /nfs/dbraw/zinc/59/15/90/919591590.db2.gz NNFLZAGGODUIRA-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185455868 919609294 /nfs/dbraw/zinc/60/92/94/919609294.db2.gz UPTBUSZBEZAXHZ-HUUCEWRRSA-N 2 0 281.444 1.729 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190442867 921997893 /nfs/dbraw/zinc/99/78/93/921997893.db2.gz BWUMEUUFNZKZLJ-LSDHHAIUSA-N 2 0 299.434 1.775 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC001168755083 922657536 /nfs/dbraw/zinc/65/75/36/922657536.db2.gz HQXJSILJTMEJMJ-UHFFFAOYSA-N 2 0 255.406 1.390 20 30 CDEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001034796994 922820850 /nfs/dbraw/zinc/82/08/50/922820850.db2.gz SPTVDJDHAJVKLU-JYJNAYRXSA-N 2 0 291.439 1.511 20 30 CDEDRP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001192353851 923026250 /nfs/dbraw/zinc/02/62/50/923026250.db2.gz INFZAIMHPODGBA-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC)[C@@H](C)C2)CC1 ZINC001036308255 923146919 /nfs/dbraw/zinc/14/69/19/923146919.db2.gz DEEOCJRFUAKEOJ-GOEBONIOSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000923400644 923810290 /nfs/dbraw/zinc/81/02/90/923810290.db2.gz CWINIVSDRCNCOY-SDDRHHMPSA-N 2 0 280.334 1.773 20 30 CDEDRP C[C@H]1CC[N@H+](Cc2ccnc(C#N)c2)CC[C@H]1C[NH3+] ZINC001205651362 924056727 /nfs/dbraw/zinc/05/67/27/924056727.db2.gz CZCRKCBCYIHUCQ-JSGCOSHPSA-N 2 0 258.369 1.760 20 30 CDEDRP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001194266672 924141034 /nfs/dbraw/zinc/14/10/34/924141034.db2.gz XZFPKKWDNLRSJD-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001080135230 924491987 /nfs/dbraw/zinc/49/19/87/924491987.db2.gz XAXINCYBZAKGOI-CZUORRHYSA-N 2 0 296.374 1.408 20 30 CDEDRP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001080704751 924626655 /nfs/dbraw/zinc/62/66/55/924626655.db2.gz JVYWFKYFWKNPQI-GDBMZVCRSA-N 2 0 291.439 1.177 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001082705600 924986134 /nfs/dbraw/zinc/98/61/34/924986134.db2.gz OOORNSKYPKCSHS-FXUDXRNXSA-N 2 0 293.455 1.729 20 30 CDEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)CCc2ncc[nH]2)[C@H](C)C1 ZINC001101927006 937028716 /nfs/dbraw/zinc/02/87/16/937028716.db2.gz UHWHHAFIKAMYJW-ZIAGYGMSSA-N 2 0 288.395 1.050 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001085332841 925889705 /nfs/dbraw/zinc/88/97/05/925889705.db2.gz PAAOMVNNSJHKKD-RBSFLKMASA-N 2 0 279.428 1.531 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102088036 937041832 /nfs/dbraw/zinc/04/18/32/937041832.db2.gz IIYSBNJOJNKUNH-BZUAXINKSA-N 2 0 295.471 1.977 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085593226 926191013 /nfs/dbraw/zinc/19/10/13/926191013.db2.gz FJFGEFXMTWMCRI-HZPDHXFCSA-N 2 0 291.439 1.415 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001201118146 926199668 /nfs/dbraw/zinc/19/96/68/926199668.db2.gz JVEIBEPJGQGXRE-MRXNPFEDSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201334494 926274634 /nfs/dbraw/zinc/27/46/34/926274634.db2.gz JGISBPJYZZWOMV-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202315881 926531028 /nfs/dbraw/zinc/53/10/28/926531028.db2.gz HQUMCUCUKIKIMJ-UHFFFAOYSA-N 2 0 253.390 1.095 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001202472571 926610550 /nfs/dbraw/zinc/61/05/50/926610550.db2.gz ACVFKJQTIRTVDD-OAHLLOKOSA-N 2 0 279.428 1.321 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001086102339 926705385 /nfs/dbraw/zinc/70/53/85/926705385.db2.gz RXUUHVODYMMSBQ-OWCLPIDISA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001086186317 926805131 /nfs/dbraw/zinc/80/51/31/926805131.db2.gz RISYJHIGLTZXIN-XBXGTLAGSA-N 2 0 299.846 1.565 20 30 CDEDRP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001103614756 937148865 /nfs/dbraw/zinc/14/88/65/937148865.db2.gz SMGXQNQGHLDVCF-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103721522 937152577 /nfs/dbraw/zinc/15/25/77/937152577.db2.gz WGYHAPXAXOSGQF-BZUAXINKSA-N 2 0 291.439 1.036 20 30 CDEDRP CC(=O)N1CC[C@@H]([NH+]=C(C)NCc2cccc(C[NH3+])c2)C1 ZINC001169531593 928152150 /nfs/dbraw/zinc/15/21/50/928152150.db2.gz HUOBAKRYGUWORB-MRXNPFEDSA-N 2 0 288.395 1.274 20 30 CDEDRP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241744 937224673 /nfs/dbraw/zinc/22/46/73/937224673.db2.gz RFWFBXMWUGZOLE-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861350 937245843 /nfs/dbraw/zinc/24/58/43/937245843.db2.gz ILZOUIKCGOBYCX-RDJZCZTQSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CCC)C1 ZINC001111952680 937258472 /nfs/dbraw/zinc/25/84/72/937258472.db2.gz VGRIECSZHYPKGI-RDJZCZTQSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+](CC)CC)C2 ZINC001108786298 928633260 /nfs/dbraw/zinc/63/32/60/928633260.db2.gz WPOQGTKIGZPSSD-XHSDSOJGSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+](CC)CC)C2 ZINC001108784029 928635325 /nfs/dbraw/zinc/63/53/25/928635325.db2.gz HVTDTKWICOZGSP-KKUMJFAQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CC)C2 ZINC001108790788 928635448 /nfs/dbraw/zinc/63/54/48/928635448.db2.gz IYVMCGKXLFZZII-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001252488263 928699933 /nfs/dbraw/zinc/69/99/33/928699933.db2.gz JJIIZEMCDAJDEE-XGUBFFRZSA-N 2 0 268.401 1.155 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086550400 929326822 /nfs/dbraw/zinc/32/68/22/929326822.db2.gz HTCKUZIGPKEIRG-AVGNSLFASA-N 2 0 285.819 1.175 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1ncc[nH]1 ZINC001134233815 929659224 /nfs/dbraw/zinc/65/92/24/929659224.db2.gz BFMQAXATFLSHDP-VXGBXAGGSA-N 2 0 264.373 1.401 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780574 929896072 /nfs/dbraw/zinc/89/60/72/929896072.db2.gz MHPHVCIELGAJET-UHFFFAOYSA-N 2 0 267.417 1.390 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180046 930087449 /nfs/dbraw/zinc/08/74/49/930087449.db2.gz CFGWWJLSCWJDPS-CABCVRRESA-N 2 0 293.455 1.757 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135336884 930162095 /nfs/dbraw/zinc/16/20/95/930162095.db2.gz NQEZIARUVBEYDD-UHFFFAOYSA-N 2 0 273.380 1.091 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)C[N@@H+](C)CCCCCC ZINC001135436944 930204333 /nfs/dbraw/zinc/20/43/33/930204333.db2.gz HEMCYQVUHQQVMP-UHFFFAOYSA-N 2 0 267.417 1.228 20 30 CDEDRP C[NH+](C)CCNC(=O)[C@H]1CC12CC[NH+](CCCC#N)CC2 ZINC001274039715 931138666 /nfs/dbraw/zinc/13/86/66/931138666.db2.gz LEVIAWUBVSODLG-CQSZACIVSA-N 2 0 292.427 1.070 20 30 CDEDRP C[C@@H]1CCCN(C(=[NH2+])NCCC2CC[NH+](C)CC2)C1 ZINC000104181109 931323968 /nfs/dbraw/zinc/32/39/68/931323968.db2.gz MPTKKCKZCYPUHP-CYBMUJFWSA-N 2 0 266.433 1.765 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001090956737 931629795 /nfs/dbraw/zinc/62/97/95/931629795.db2.gz HYSMIYJKVHHKBV-RUXDESIVSA-N 2 0 265.401 1.141 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171174507 931798947 /nfs/dbraw/zinc/79/89/47/931798947.db2.gz NEEKUPPGPUOBKX-HUUCEWRRSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNc1cc(N(C)C)[nH+]c(C)n1 ZINC001160953233 932248509 /nfs/dbraw/zinc/24/85/09/932248509.db2.gz YAVQDNSVHCRKHS-ZDUSSCGKSA-N 2 0 275.400 1.913 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCn1ccnc1 ZINC001146707031 932285510 /nfs/dbraw/zinc/28/55/10/932285510.db2.gz MLERNTQFSSIHFG-UONOGXRCSA-N 2 0 278.400 1.722 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147825716 932614319 /nfs/dbraw/zinc/61/43/19/932614319.db2.gz REOKYVDAOPLKRM-CHWSQXEVSA-N 2 0 287.835 1.565 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001171367267 932881419 /nfs/dbraw/zinc/88/14/19/932881419.db2.gz LBCZJWXHUPPTSD-CVEARBPZSA-N 2 0 295.471 1.861 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226683 937651372 /nfs/dbraw/zinc/65/13/72/937651372.db2.gz NEYPHUCSOGTLQW-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001155791862 937674393 /nfs/dbraw/zinc/67/43/93/937674393.db2.gz ZDUOPRZPNIUYHN-KRWDZBQOSA-N 2 0 299.418 1.228 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](CC)CC ZINC001155900185 937686592 /nfs/dbraw/zinc/68/65/92/937686592.db2.gz DSUFQBHYQQUIJY-CQSZACIVSA-N 2 0 267.417 1.178 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[C@H]1CCCCO1 ZINC000305802862 935217883 /nfs/dbraw/zinc/21/78/83/935217883.db2.gz FEXYIAWMOLOZCZ-LSDHHAIUSA-N 2 0 296.459 1.724 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001038329201 935741097 /nfs/dbraw/zinc/74/10/97/935741097.db2.gz OXVKSWUYZASVTE-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001042354720 935818425 /nfs/dbraw/zinc/81/84/25/935818425.db2.gz CNMRMTLNVRKXDE-JKSUJKDBSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001049037912 936102831 /nfs/dbraw/zinc/10/28/31/936102831.db2.gz BOLUOQRHIWFRLI-OWCLPIDISA-N 2 0 293.455 1.539 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC001121900867 937888652 /nfs/dbraw/zinc/88/86/52/937888652.db2.gz KWOFVTRKZHPCJM-CYBMUJFWSA-N 2 0 253.390 1.272 20 30 CDEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156889622 938429376 /nfs/dbraw/zinc/42/93/76/938429376.db2.gz AIXULGVPTRECOE-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158029148 938576077 /nfs/dbraw/zinc/57/60/77/938576077.db2.gz DASFZNYATUWKSF-KGLIPLIRSA-N 2 0 299.846 1.709 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158030728 938576538 /nfs/dbraw/zinc/57/65/38/938576538.db2.gz XITNXDUGPXKOID-UONOGXRCSA-N 2 0 265.401 1.143 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NCCC[NH2+]CCCCCF ZINC001160209736 938775360 /nfs/dbraw/zinc/77/53/60/938775360.db2.gz VAJYFPZCOCVSBK-HNNXBMFYSA-N 2 0 297.418 1.320 20 30 CDEDRP C=CCOCC[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160273000 938778093 /nfs/dbraw/zinc/77/80/93/938778093.db2.gz GAPKQZQZTKDFIB-HNNXBMFYSA-N 2 0 297.443 1.159 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160834597 938831116 /nfs/dbraw/zinc/83/11/16/938831116.db2.gz MNELUUGTDDAOEC-UHFFFAOYSA-N 2 0 279.428 1.534 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H]1CNc1ncc2c(n1)CC[NH2+]C2 ZINC001160952846 938848679 /nfs/dbraw/zinc/84/86/79/938848679.db2.gz FGSLRNZRAMEJQT-ZDUSSCGKSA-N 2 0 273.384 1.185 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1CCn2cncc2C1 ZINC001161214823 938880010 /nfs/dbraw/zinc/88/00/10/938880010.db2.gz HLNFPYGRVUISCQ-CYBMUJFWSA-N 2 0 276.384 1.118 20 30 CDEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161856625 938936089 /nfs/dbraw/zinc/93/60/89/938936089.db2.gz BGZFJBYEZBFKDX-INIZCTEOSA-N 2 0 291.439 1.653 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001164576239 939495310 /nfs/dbraw/zinc/49/53/10/939495310.db2.gz QETKKNWBQLGORP-HUUCEWRRSA-N 2 0 291.439 1.226 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001165485044 939567183 /nfs/dbraw/zinc/56/71/83/939567183.db2.gz KLWAVTQQUHWXTF-OAHLLOKOSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166627393 939620435 /nfs/dbraw/zinc/62/04/35/939620435.db2.gz UUFOFVTZXFENNR-HUUCEWRRSA-N 2 0 281.444 1.921 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203698783 939700902 /nfs/dbraw/zinc/70/09/02/939700902.db2.gz AKQYHWGTILYWEY-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001203869928 939709068 /nfs/dbraw/zinc/70/90/68/939709068.db2.gz RZKMDIZOPHAGGS-UHFFFAOYSA-N 2 0 279.428 1.629 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001206274229 940010369 /nfs/dbraw/zinc/01/03/69/940010369.db2.gz FDPXAEXFUCVZEE-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001207231661 940168475 /nfs/dbraw/zinc/16/84/75/940168475.db2.gz NUKAQJPSQSKWGL-QLFBSQMISA-N 2 0 297.418 1.126 20 30 CDEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208492834 940335556 /nfs/dbraw/zinc/33/55/56/940335556.db2.gz QXXWIJOWMMPXKE-RBSFLKMASA-N 2 0 281.444 1.729 20 30 CDEDRP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208707473 940373687 /nfs/dbraw/zinc/37/36/87/940373687.db2.gz KCAUDFBONCXDEU-KFWWJZLASA-N 2 0 281.444 1.729 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001209614459 940616959 /nfs/dbraw/zinc/61/69/59/940616959.db2.gz PLKOEJMYISMXFV-CVEARBPZSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001210476471 940693176 /nfs/dbraw/zinc/69/31/76/940693176.db2.gz ATNVCJKRPSCTCZ-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001210497179 940694664 /nfs/dbraw/zinc/69/46/64/940694664.db2.gz AWJUHNBTJXWNSX-HUUCEWRRSA-N 2 0 279.428 1.178 20 30 CDEDRP C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CCC([NH3+])CC1 ZINC000402235361 940891589 /nfs/dbraw/zinc/89/15/89/940891589.db2.gz FMJKCNGQYMYGRU-UYSNPLJNSA-N 2 0 273.380 1.793 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001216772587 940965738 /nfs/dbraw/zinc/96/57/38/940965738.db2.gz GVACNMJNXBVKIK-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP N#Cc1oc2ccccc2c1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218626794 941246806 /nfs/dbraw/zinc/24/68/06/941246806.db2.gz MBMHBBOPTZKSDL-AWEZNQCLSA-N 2 0 298.346 1.570 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001221239921 941505643 /nfs/dbraw/zinc/50/56/43/941505643.db2.gz WWFKKCFWXVGDRL-SGMGOOAPSA-N 2 0 253.390 1.446 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001223472764 941679946 /nfs/dbraw/zinc/67/99/46/941679946.db2.gz VIBOAQKBKFCJPM-INIZCTEOSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001224245835 941732203 /nfs/dbraw/zinc/73/22/03/941732203.db2.gz HGBFZXKUBFFKBS-CABCVRRESA-N 2 0 279.428 1.435 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001224538631 941766266 /nfs/dbraw/zinc/76/62/66/941766266.db2.gz YMOYYBOUVJFQRE-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001224535212 941766574 /nfs/dbraw/zinc/76/65/74/941766574.db2.gz DZBAXYVWQLBNJK-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001228065339 942264595 /nfs/dbraw/zinc/26/45/95/942264595.db2.gz OOEJGTDISSNUCF-UHFFFAOYSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229007695 942406744 /nfs/dbraw/zinc/40/67/44/942406744.db2.gz BIBNDSUHTFJUIN-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CCC ZINC001229852392 942541287 /nfs/dbraw/zinc/54/12/87/942541287.db2.gz GQLSCXKFZQBMRJ-HZPDHXFCSA-N 2 0 293.455 1.759 20 30 CDEDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(C#N)ccn1 ZINC001232479304 943293173 /nfs/dbraw/zinc/29/31/73/943293173.db2.gz STPCHNZNCDYWIE-DLBZAZTESA-N 2 0 299.422 1.163 20 30 CDEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001234643074 943924980 /nfs/dbraw/zinc/92/49/80/943924980.db2.gz MALSKJRGIZYARJ-GJZGRUSLSA-N 2 0 299.434 1.775 20 30 CDEDRP C=CC[NH2+]CCN1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235093703 944052123 /nfs/dbraw/zinc/05/21/23/944052123.db2.gz NTCWLWSUDFKIFO-UHFFFAOYSA-N 2 0 285.435 1.899 20 30 CDEDRP CCCCCCCNC(=S)NCCC[NH2+]CCC[NH3+] ZINC001239396527 945440191 /nfs/dbraw/zinc/44/01/91/945440191.db2.gz IKGSSMUNIBWCGQ-UHFFFAOYSA-N 2 0 288.505 1.749 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC001254390818 947416153 /nfs/dbraw/zinc/41/61/53/947416153.db2.gz YIZKACSGOLPTMP-QGZVFWFLSA-N 2 0 293.455 1.457 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)[C@@H]1CC[C@@H](C#N)C1 ZINC001254667206 947585194 /nfs/dbraw/zinc/58/51/94/947585194.db2.gz BHJCIAJREZVHDE-ZIAGYGMSSA-N 2 0 252.406 1.104 20 30 CDEDRP CC[C@H](CC#N)NC(=[NH2+])SCCSC(N)=[NH2+] ZINC001255155859 947755430 /nfs/dbraw/zinc/75/54/30/947755430.db2.gz BQWIKKJEBPCEQE-SSDOTTSWSA-N 2 0 259.404 1.563 20 30 CDEDRP N#Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246310182 948097524 /nfs/dbraw/zinc/09/75/24/948097524.db2.gz ZGYWDZZHXCMTCH-XJKSGUPXSA-N 2 0 282.391 1.229 20 30 CDEDRP C[C@@H]1C[C@@H]([NH2+]CCOc2ccccc2C#N)CC[NH2+]1 ZINC001246327501 948106281 /nfs/dbraw/zinc/10/62/81/948106281.db2.gz IXYKUHMPNJAFKU-OCCSQVGLSA-N 2 0 259.353 1.667 20 30 CDEDRP N#Cc1ccc2c(c1)c(CC[NH3+])cn2C1CC[NH2+]CC1 ZINC001246326469 948106777 /nfs/dbraw/zinc/10/67/77/948106777.db2.gz PGQAPUFHIQQGLY-UHFFFAOYSA-N 2 0 268.364 1.939 20 30 CDEDRP N#CC1(c2ccccc2)CCC([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246569128 948290012 /nfs/dbraw/zinc/29/00/12/948290012.db2.gz QHTRRLHFLWVQKC-QLOLRVAOSA-N 2 0 299.418 1.784 20 30 CDEDRP N#C[C@@H]1C[C@H]([N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CCN1 ZINC001246604011 948337386 /nfs/dbraw/zinc/33/73/86/948337386.db2.gz MPHBPRYSFPZWEA-GVDBMIGSSA-N 2 0 290.455 1.876 20 30 CDEDRP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246724652 948419297 /nfs/dbraw/zinc/41/92/97/948419297.db2.gz WEMNOBWZNCWDFD-IRXDYDNUSA-N 2 0 294.439 1.812 20 30 CDEDRP C[N@@H+]1CCCN(CC[NH2+]C2CCC(C#N)CC2)CC1 ZINC001256957748 948463432 /nfs/dbraw/zinc/46/34/32/948463432.db2.gz CTHBMEFTMLCQSB-UHFFFAOYSA-N 2 0 264.417 1.296 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]C1CC[NH+](CCC)CC1 ZINC001252481378 951341953 /nfs/dbraw/zinc/34/19/53/951341953.db2.gz BYJNPZAEZJVWTE-CQSZACIVSA-N 2 0 256.390 1.014 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001368727774 959082494 /nfs/dbraw/zinc/08/24/94/959082494.db2.gz CUFIFKKWISDADE-NWDGAFQWSA-N 2 0 273.808 1.318 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001340471194 962952872 /nfs/dbraw/zinc/95/28/72/962952872.db2.gz IYOVVSUDLAGVKT-AVGNSLFASA-N 2 0 253.390 1.113 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001340825611 963145083 /nfs/dbraw/zinc/14/50/83/963145083.db2.gz LDYCKMHVBQGQJY-ARFHVFGLSA-N 2 0 287.407 1.542 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001341465136 963426866 /nfs/dbraw/zinc/42/68/66/963426866.db2.gz ZVIJJTKRAVAKNE-KGLIPLIRSA-N 2 0 285.432 1.169 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001444385906 965817415 /nfs/dbraw/zinc/81/74/15/965817415.db2.gz KWFRAIXCMCHZLC-NSHDSACASA-N 2 0 287.835 1.423 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)CCn1ccnc1 ZINC001448698340 967213013 /nfs/dbraw/zinc/21/30/13/967213013.db2.gz IYXFXINJXMQOKZ-LBPRGKRZSA-N 2 0 284.791 1.462 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001100678148 968930489 /nfs/dbraw/zinc/93/04/89/968930489.db2.gz ABZHPPBRIXSPKF-XGNXJENSSA-N 2 0 299.846 1.565 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC[NH+](C(C)C)C(C)C ZINC001357325726 969570104 /nfs/dbraw/zinc/57/01/04/969570104.db2.gz BRCWXSMCQXNBGV-CQSZACIVSA-N 2 0 269.433 1.905 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001522325278 970421008 /nfs/dbraw/zinc/42/10/08/970421008.db2.gz CARCAQKSFBBYFD-GXTWGEPZSA-N 2 0 286.379 1.487 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001373818557 973655894 /nfs/dbraw/zinc/65/58/94/973655894.db2.gz MPDKXMNZOVGRIZ-CHWSQXEVSA-N 2 0 289.851 1.810 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001401956113 976040317 /nfs/dbraw/zinc/04/03/17/976040317.db2.gz FDICJMMSSZPSIX-UHFFFAOYSA-N 2 0 285.819 1.319 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133091903 1163568822 /nfs/dbraw/zinc/56/88/22/1163568822.db2.gz WBQHLQKNMYZSKH-HOTGVXAUSA-N 2 0 295.471 1.979 20 30 CDEDRP C[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C[NH+]1CCCCC1 ZINC000594441569 342907459 /nfs/dbraw/zinc/90/74/59/342907459.db2.gz STQMRXDMRZDQEY-CABCVRRESA-N 2 0 294.443 1.636 20 30 CDEDRP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000594459008 342912164 /nfs/dbraw/zinc/91/21/64/342912164.db2.gz JHYFOAAMVWCVMN-ZDUSSCGKSA-N 2 0 280.416 1.340 20 30 CDEDRP CC(C)(C#N)CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594610609 342926574 /nfs/dbraw/zinc/92/65/74/342926574.db2.gz FCNFAWQFYAEVPX-AWEZNQCLSA-N 2 0 265.401 1.769 20 30 CDEDRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1(C)C ZINC000442877704 362099110 /nfs/dbraw/zinc/09/91/10/362099110.db2.gz ROKYXLUTICKIQY-ZIAGYGMSSA-N 2 0 264.417 1.294 20 30 CDEDRP C[NH+]1CCC(N2CCC([NH2+][C@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC000442774975 362089665 /nfs/dbraw/zinc/08/96/65/362089665.db2.gz FQBYOFUJBDXUQD-ZBFHGGJFSA-N 2 0 290.455 1.827 20 30 CDEDRP COCCNC(=[NH2+])NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000081780960 342373777 /nfs/dbraw/zinc/37/37/77/342373777.db2.gz IPYVPSMYSOUMFY-AWEZNQCLSA-N 2 0 292.427 1.448 20 30 CDEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000598728015 343886894 /nfs/dbraw/zinc/88/68/94/343886894.db2.gz MIJBSYYMSBLNHQ-OAHLLOKOSA-N 2 0 279.428 1.894 20 30 CDEDRP C[C@H](CCC#N)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000602658464 344519439 /nfs/dbraw/zinc/51/94/39/344519439.db2.gz YHFZWGIRDCCQBF-OAHLLOKOSA-N 2 0 280.460 1.884 20 30 CDEDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC3(CC#N)CC3)C2)CC1 ZINC000602785255 344599192 /nfs/dbraw/zinc/59/91/92/344599192.db2.gz OHTHMVLSWSFKQM-INIZCTEOSA-N 2 0 290.455 1.781 20 30 CDEDRP C[C@H](CNC(=[NH2+])N1CCSCC1)C[NH+]1CCCCC1 ZINC000075127928 346103704 /nfs/dbraw/zinc/10/37/04/346103704.db2.gz IAGQYOKDTBIOKS-CYBMUJFWSA-N 2 0 284.473 1.472 20 30 CDEDRP C#CCNC(N[C@@H]1CC[N@@H+](C2CCCC2)C1)=[NH+]CC ZINC000083513884 347122410 /nfs/dbraw/zinc/12/24/10/347122410.db2.gz AVQBNBZNWNZIJW-CYBMUJFWSA-N 2 0 262.401 1.192 20 30 CDEDRP C[NH+](C)CCOc1cccc(CNC(=[NH2+])NC2CC2)c1 ZINC000264104614 362968603 /nfs/dbraw/zinc/96/86/03/362968603.db2.gz NMSGLNFJZIOKOR-UHFFFAOYSA-N 2 0 276.384 1.194 20 30 CDEDRP C=CCN1CC[C@@H](N2CC[C@H](C[N@@H+](C)CC)C2)C1=O ZINC000337187054 360030553 /nfs/dbraw/zinc/03/05/53/360030553.db2.gz PHRLECFPXUCGNB-ZIAGYGMSSA-N 2 0 265.401 1.047 20 30 CDEDRP N#CCNC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121836868 360268623 /nfs/dbraw/zinc/26/86/23/360268623.db2.gz OCWIWPCKUYXOAI-UHFFFAOYSA-N 2 0 292.427 1.214 20 30 CDEDRP C=CCNC(=O)[C@@H](C)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000245435279 360693209 /nfs/dbraw/zinc/69/32/09/360693209.db2.gz QGVOIUXHMVVYFG-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001661046017 1172328758 /nfs/dbraw/zinc/32/87/58/1172328758.db2.gz XSRSOMUBKSAXEL-OAHLLOKOSA-N 2 0 277.412 1.076 20 30 CDEDRP CCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000267391228 370933678 /nfs/dbraw/zinc/93/36/78/370933678.db2.gz CWOHOBLGDXYBRU-OAHLLOKOSA-N 2 0 274.412 1.965 20 30 CDEDRP C[C@@H]1C[NH+]=C(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)N1 ZINC000262644060 370440130 /nfs/dbraw/zinc/44/01/30/370440130.db2.gz IOCUTQOLZUHGKR-ZBFHGGJFSA-N 2 0 286.423 1.978 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C ZINC000104156133 390484695 /nfs/dbraw/zinc/48/46/95/390484695.db2.gz GYURYDBMDQZTBW-HNNXBMFYSA-N 2 0 274.412 1.884 20 30 CDEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000305208538 391196058 /nfs/dbraw/zinc/19/60/58/391196058.db2.gz OWFRVTXLPAGTGY-HUUCEWRRSA-N 2 0 295.475 1.105 20 30 CDEDRP C[NH+]=C(NCc1cccn1C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261966497 391743713 /nfs/dbraw/zinc/74/37/13/391743713.db2.gz LOLDSJXSLNCQOO-UKRRQHHQSA-N 2 0 291.443 1.419 20 30 CDEDRP CN1CC[NH+]=C1NCc1ccccc1C[NH+]1CCCC1 ZINC000262661270 391808426 /nfs/dbraw/zinc/80/84/26/391808426.db2.gz MZVXRPNTVZHKMA-UHFFFAOYSA-N 2 0 272.396 1.673 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000449348292 260434024 /nfs/dbraw/zinc/43/40/24/260434024.db2.gz SPVYDIHGFYCOOP-ZFWWWQNUSA-N 2 0 279.428 1.661 20 30 CDEDRP C[NH+]=C(NC[C@H](C)SC)N1CCN(CC(C)C)CC1 ZINC000121586606 263297501 /nfs/dbraw/zinc/29/75/01/263297501.db2.gz KAXIYTYNIWISMW-ZDUSSCGKSA-N 2 0 286.489 1.587 20 30 CDEDRP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])C1=O ZINC000652356036 424302120 /nfs/dbraw/zinc/30/21/20/424302120.db2.gz QPSILHLKMOGELR-RDBSUJKOSA-N 2 0 265.401 1.223 20 30 CDEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N(C)CCC#N)C[C@@H]1C ZINC000356999375 266228835 /nfs/dbraw/zinc/22/88/35/266228835.db2.gz BPUHODCCTXOJHU-GJZGRUSLSA-N 2 0 294.443 1.553 20 30 CDEDRP COc1ccccc1CNC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000170905388 327749303 /nfs/dbraw/zinc/74/93/03/327749303.db2.gz IQCDQGBTIBQMOL-UHFFFAOYSA-N 2 0 292.427 1.687 20 30 CDEDRP C[NH+]=C(NCC[NH+]1CCCC1)NC[C@@]1(C)CCCS1 ZINC000179216420 329206152 /nfs/dbraw/zinc/20/61/52/329206152.db2.gz DXQAAFGBKPAZMP-CQSZACIVSA-N 2 0 284.473 1.533 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCCS1 ZINC000262163664 330001078 /nfs/dbraw/zinc/00/10/78/330001078.db2.gz BLMLVDMINVTLIV-STQMWFEESA-N 2 0 284.473 1.661 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC=CO1 ZINC000262762807 330030007 /nfs/dbraw/zinc/03/00/07/330030007.db2.gz FZYDYZXHMVAFHK-OLZOCXBDSA-N 2 0 266.389 1.068 20 30 CDEDRP [NH2+]=C(NCC1CC[NH+](C2CC2)CC1)NC1CCCC1 ZINC000262777619 330030856 /nfs/dbraw/zinc/03/08/56/330030856.db2.gz KIEIZDLYNOUUDO-UHFFFAOYSA-N 2 0 264.417 1.708 20 30 CDEDRP CC[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC(C)(C)C ZINC000263245972 330050697 /nfs/dbraw/zinc/05/06/97/330050697.db2.gz MWXFMLFLJLDZMA-GFCCVEGCSA-N 2 0 266.433 1.824 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCCC1 ZINC000263259910 330050851 /nfs/dbraw/zinc/05/08/51/330050851.db2.gz SHUICYVFKKSKEA-ZDUSSCGKSA-N 2 0 264.417 1.532 20 30 CDEDRP C=CC[NH+]1CCC(N[C@H](CC)[C@@H]2CCC[NH2+]2)CC1 ZINC000422856118 330157912 /nfs/dbraw/zinc/15/79/12/330157912.db2.gz DPGATLTZLURZPX-CABCVRRESA-N 2 0 251.418 1.757 20 30 CDEDRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424209773 330328163 /nfs/dbraw/zinc/32/81/63/330328163.db2.gz ZQEHLULWJGXQRA-LSDHHAIUSA-N 2 0 288.395 1.386 20 30 CDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000424298867 330336725 /nfs/dbraw/zinc/33/67/25/330336725.db2.gz UEWDDVLCHCZZAB-ZQNQSHIBSA-N 2 0 252.402 1.896 20 30 CDEDRP C=CCC[C@H](O)C[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000451980596 331049339 /nfs/dbraw/zinc/04/93/39/331049339.db2.gz HUCHIDHIAZFNOC-HNNXBMFYSA-N 2 0 283.460 1.319 20 30 CDEDRP C#CCNC(=O)CC[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000491697532 332292569 /nfs/dbraw/zinc/29/25/69/332292569.db2.gz BAACBQPHJXUYDF-UHFFFAOYSA-N 2 0 267.417 1.224 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)CCC)CC1 ZINC000174648248 333004797 /nfs/dbraw/zinc/00/47/97/333004797.db2.gz PXRBOVRGOUCZSF-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001754920197 1159488304 /nfs/dbraw/zinc/48/83/04/1159488304.db2.gz WULLAHVINJQXDH-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001753644349 1159866624 /nfs/dbraw/zinc/86/66/24/1159866624.db2.gz DUATVYSEVNTZHR-LSDHHAIUSA-N 2 0 279.428 1.226 20 30 CDEDRP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001754370806 1185600155 /nfs/dbraw/zinc/60/01/55/1185600155.db2.gz NUSXRDJCOMWPPM-OAHLLOKOSA-N 2 0 279.428 1.321 20 30 CDEDRP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000981272907 612971479 /nfs/dbraw/zinc/97/14/79/612971479.db2.gz SYHFKIWIIBMWEE-LSDHHAIUSA-N 2 0 291.439 1.511 20 30 CDEDRP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000981841592 612999817 /nfs/dbraw/zinc/99/98/17/612999817.db2.gz GZOWGBCUVDNMDP-OAHLLOKOSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000970326551 613302109 /nfs/dbraw/zinc/30/21/09/613302109.db2.gz UMLJDPGITABAIH-KKUMJFAQSA-N 2 0 293.455 1.729 20 30 CDEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000969652383 613302264 /nfs/dbraw/zinc/30/22/64/613302264.db2.gz FCZVEJOBFIMERK-GOEBONIOSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944171654 613519320 /nfs/dbraw/zinc/51/93/20/613519320.db2.gz ZPVZKFIDJXQRQE-LSDHHAIUSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948039182 613520541 /nfs/dbraw/zinc/52/05/41/613520541.db2.gz DZMGZJPCHNGOEW-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974996217 613543551 /nfs/dbraw/zinc/54/35/51/613543551.db2.gz OSUNUISDFNZZTO-OAHLLOKOSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980485672 613629971 /nfs/dbraw/zinc/62/99/71/613629971.db2.gz KTYONHTWTRANBZ-JKSUJKDBSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000969659433 613668610 /nfs/dbraw/zinc/66/86/10/613668610.db2.gz FRORVIVUYKCSFR-ZFWWWQNUSA-N 2 0 279.428 1.482 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942517725 613753193 /nfs/dbraw/zinc/75/31/93/613753193.db2.gz FEHQPEAVHSANQV-XJKSGUPXSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC000960839805 613843135 /nfs/dbraw/zinc/84/31/35/613843135.db2.gz UMBBFTRPBBNAPI-FICVDOATSA-N 2 0 282.347 1.180 20 30 CDEDRP CC(C)NC(=[NH2+])NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000104193784 617484166 /nfs/dbraw/zinc/48/41/66/617484166.db2.gz IWKVIEXPJBXGFC-UHFFFAOYSA-N 2 0 292.427 1.830 20 30 CDEDRP C#CC[N@@H+](C)CCCNc1cc(N[C@@H](CC)CO)ncn1 ZINC000893988436 618238306 /nfs/dbraw/zinc/23/83/06/618238306.db2.gz BLUWBARJBSGIGU-ZDUSSCGKSA-N 2 0 291.399 1.026 20 30 CDEDRP C[NH+]=C(NC[C@H]1CC[N@@H+](C(C)C)C1)NC(C)(C)C ZINC000912496653 630030104 /nfs/dbraw/zinc/03/01/04/630030104.db2.gz AWBQXHZFCNRORX-GFCCVEGCSA-N 2 0 254.422 1.680 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001086697601 1163514879 /nfs/dbraw/zinc/51/48/79/1163514879.db2.gz KFDIPFMIBKHKKI-NUEKZKHPSA-N 2 0 291.439 1.389 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001133313975 1163637110 /nfs/dbraw/zinc/63/71/10/1163637110.db2.gz KFVQDTSSFLDSMT-CVEARBPZSA-N 2 0 291.439 1.180 20 30 CDEDRP C#CCC[NH2+][C@H](CNC(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001568466501 1169301901 /nfs/dbraw/zinc/30/19/01/1169301901.db2.gz AEQNWMFOTUXJTI-KGLIPLIRSA-N 2 0 267.417 1.080 20 30 CDEDRP C#CCC1(O)CC[NH+](CCCCCCC[NH3+])CC1 ZINC001574544343 1170992518 /nfs/dbraw/zinc/99/25/18/1170992518.db2.gz CCOVTWLGTMUQKS-UHFFFAOYSA-N 2 0 252.402 1.746 20 30 CDEDRP C#Cc1ccc(C[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC001574757712 1171005467 /nfs/dbraw/zinc/00/54/67/1171005467.db2.gz ZQNSWVMJYJEKGB-KRWDZBQOSA-N 2 0 284.403 1.916 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)C[C@H]([NH3+])CC(C)C)CC1 ZINC001574836589 1171021544 /nfs/dbraw/zinc/02/15/44/1171021544.db2.gz QDQCZLMRZQVFNS-CQSZACIVSA-N 2 0 281.444 1.907 20 30 CDEDRP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001701052784 1177257503 /nfs/dbraw/zinc/25/75/03/1177257503.db2.gz PJJITBMWHKDQSP-OAHLLOKOSA-N 2 0 277.412 1.098 20 30 CDEDRP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001734304284 1183721551 /nfs/dbraw/zinc/72/15/51/1183721551.db2.gz GMDCVEULZYXOHH-JKSUJKDBSA-N 2 0 293.455 1.423 20 30 CDEDRP C=C(C)CC[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001753162376 1185093999 /nfs/dbraw/zinc/09/39/99/1185093999.db2.gz HUGIUZZDAISKSD-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001753332978 1185158899 /nfs/dbraw/zinc/15/88/99/1185158899.db2.gz ZNWSTNPWJQFHTN-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001753403913 1185189627 /nfs/dbraw/zinc/18/96/27/1185189627.db2.gz NLFBQUDPDWSBJE-UHFFFAOYSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001753581593 1185258312 /nfs/dbraw/zinc/25/83/12/1185258312.db2.gz UVXQGTGGWOXYDL-BZUAXINKSA-N 2 0 291.439 1.511 20 30 CDEDRP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001753632178 1185278144 /nfs/dbraw/zinc/27/81/44/1185278144.db2.gz ITCJKGVNICDUKB-HUUCEWRRSA-N 2 0 279.428 1.226 20 30 CDEDRP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001753815439 1185342253 /nfs/dbraw/zinc/34/22/53/1185342253.db2.gz NFCUVVABYLCEHX-GJZGRUSLSA-N 2 0 291.439 1.178 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001753896630 1185386032 /nfs/dbraw/zinc/38/60/32/1185386032.db2.gz WWTPCVFCVNIZMT-HZPDHXFCSA-N 2 0 291.439 1.226 20 30 CDEDRP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001754206844 1185504495 /nfs/dbraw/zinc/50/44/95/1185504495.db2.gz VYXKMHXEEVALEG-WSNITJDQSA-N 2 0 265.401 1.166 20 30 CDEDRP C#CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001754286041 1185551961 /nfs/dbraw/zinc/55/19/61/1185551961.db2.gz VNUXRXLKHOINEO-GJZGRUSLSA-N 2 0 279.428 1.367 20 30 CDEDRP CC#CC[NH2+]CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001754381614 1185604049 /nfs/dbraw/zinc/60/40/49/1185604049.db2.gz GHECCCDBYUIUGC-UHFFFAOYSA-N 2 0 298.390 1.718 20 30 CDEDRP C#CC[NH2+]C1(CC)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001755075127 1185807972 /nfs/dbraw/zinc/80/79/72/1185807972.db2.gz ZCPHCXMZVRUQDM-UHFFFAOYSA-N 2 0 279.428 1.321 20 30 CDEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001755388929 1185938646 /nfs/dbraw/zinc/93/86/46/1185938646.db2.gz MAVPUDRLEXAWSN-UONOGXRCSA-N 2 0 279.428 1.341 20 30 CDEDRP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001755603492 1186008771 /nfs/dbraw/zinc/00/87/71/1186008771.db2.gz CFSNDPOFOOANOG-KGLIPLIRSA-N 2 0 267.417 1.177 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133873079 1163945667 /nfs/dbraw/zinc/94/56/67/1163945667.db2.gz MTKFZMJSQCKCMZ-UHFFFAOYSA-N 2 0 273.808 1.177 20 30 CDEDRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000923420282 828366633 /nfs/dbraw/zinc/36/66/33/828366633.db2.gz HKKWGJAGPZBAKL-CFVMTHIKSA-N 2 0 289.379 1.013 20 30 CDEDRP CN(C(=[NH2+])NC[C@@H](C1CCCCC1)[NH+](C)C)C1CC1 ZINC000305805200 822649788 /nfs/dbraw/zinc/64/97/88/822649788.db2.gz GBZZXVRFLPGWQY-AWEZNQCLSA-N 2 0 266.433 1.906 20 30 CDEDRP C=C(Cl)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001033772603 822750970 /nfs/dbraw/zinc/75/09/70/822750970.db2.gz AKVDBSIOCJDPFA-KGLIPLIRSA-N 2 0 299.846 1.756 20 30 CDEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1(C)C ZINC000996198179 823811363 /nfs/dbraw/zinc/81/13/63/823811363.db2.gz UASVKPVXMRBQCF-KKUMJFAQSA-N 2 0 291.439 1.177 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015596740 823814032 /nfs/dbraw/zinc/81/40/32/823814032.db2.gz GJKKYBBYLQIIPS-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCCC[NH+]1CCC(C)CC1 ZINC000303783223 823842866 /nfs/dbraw/zinc/84/28/66/823842866.db2.gz OAXCWPFIBDWGAJ-ZDUSSCGKSA-N 2 0 270.421 1.048 20 30 CDEDRP C[C@@H]1CCC[N@H+](CCCCNC(=[NH2+])N2CCSCC2)C1 ZINC000104169967 823850701 /nfs/dbraw/zinc/85/07/01/823850701.db2.gz KVVSARUXBQGGTP-CQSZACIVSA-N 2 0 298.500 1.862 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001038443161 823864612 /nfs/dbraw/zinc/86/46/12/823864612.db2.gz GQHMTRYNCVKYBT-HOTGVXAUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001022974779 823867480 /nfs/dbraw/zinc/86/74/80/823867480.db2.gz BQMMUBSPLPATSO-WCVJEAGWSA-N 2 0 293.455 1.920 20 30 CDEDRP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990766997 824019400 /nfs/dbraw/zinc/01/94/00/824019400.db2.gz WUCXGBXWCYPZJH-PNBKFKSVSA-N 2 0 289.423 1.073 20 30 CDEDRP C#CC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001034399363 824128341 /nfs/dbraw/zinc/12/83/41/824128341.db2.gz SVHFBUAANXUCMX-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001052386317 824219757 /nfs/dbraw/zinc/21/97/57/824219757.db2.gz MZJIYYXXXRCFLF-HZPDHXFCSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001000848241 824232866 /nfs/dbraw/zinc/23/28/66/824232866.db2.gz DBBNRFNDTIIZBM-MRXNPFEDSA-N 2 0 291.439 1.795 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049171265 824274123 /nfs/dbraw/zinc/27/41/23/824274123.db2.gz NHYMZKCBJXQEIQ-HRCADAONSA-N 2 0 291.439 1.295 20 30 CDEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001045385104 824278628 /nfs/dbraw/zinc/27/86/28/824278628.db2.gz DVPQLCJNTIPYQJ-ZDUSSCGKSA-N 2 0 265.401 1.237 20 30 CDEDRP COc1cccc(NC(=[NH2+])NCC[NH2+]C(C)(C)C)c1 ZINC000304764526 824297806 /nfs/dbraw/zinc/29/78/06/824297806.db2.gz YCBPXGPPNRWIAA-UHFFFAOYSA-N 2 0 264.373 1.810 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001049994334 824419634 /nfs/dbraw/zinc/41/96/34/824419634.db2.gz IEMZIIPIUFYUHK-SOUVJXGZSA-N 2 0 277.412 1.189 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H](CC(C)C)[NH+]1CCCC1 ZINC000303775722 824475803 /nfs/dbraw/zinc/47/58/03/824475803.db2.gz GYQXKVAIMRYALM-UONOGXRCSA-N 2 0 284.448 1.436 20 30 CDEDRP CN(C[C@@H](O)c1ccc(C#N)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000246079432 824476071 /nfs/dbraw/zinc/47/60/71/824476071.db2.gz TVMZHYQHUPJTEJ-NVXWUHKLSA-N 2 0 287.407 1.865 20 30 CDEDRP C[C@H]1CNC(NN=C2CCCN(Cc3ccccc3)[C@H]2C)=[NH+]1 ZINC000814897316 824493395 /nfs/dbraw/zinc/49/33/95/824493395.db2.gz HIRBGJPYFVZYJZ-KBPBESRZSA-N 2 0 299.422 1.964 20 30 CDEDRP C[N@@H+]1CCC[C@H](CCNC(=[NH2+])N2CCSCC2)C1 ZINC000263050444 824579766 /nfs/dbraw/zinc/57/97/66/824579766.db2.gz DKIKTTNQBQMUBJ-GFCCVEGCSA-N 2 0 270.446 1.082 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032958503 824815832 /nfs/dbraw/zinc/81/58/32/824815832.db2.gz AYYPWEADURKXBM-ZIAGYGMSSA-N 2 0 265.401 1.189 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000989606936 824822863 /nfs/dbraw/zinc/82/28/63/824822863.db2.gz XCOJEDYGPVCVBB-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033358627 824823006 /nfs/dbraw/zinc/82/30/06/824823006.db2.gz NLLHAOXKURAISN-HRCADAONSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000999347272 824840704 /nfs/dbraw/zinc/84/07/04/824840704.db2.gz IEYPLJJAHVBPPH-ZDUSSCGKSA-N 2 0 299.846 1.804 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000999404435 824881451 /nfs/dbraw/zinc/88/14/51/824881451.db2.gz WLYDUPUBFDTZDN-UHFFFAOYSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001034012227 824917065 /nfs/dbraw/zinc/91/70/65/824917065.db2.gz CPFVVAUDYAXZRV-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001002858424 824935195 /nfs/dbraw/zinc/93/51/95/824935195.db2.gz FNTMQIAESKDIJR-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC1(C)C ZINC000996041976 824977788 /nfs/dbraw/zinc/97/77/88/824977788.db2.gz IVDUHAFBAHCOAR-HNNXBMFYSA-N 2 0 298.390 1.961 20 30 CDEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000303868673 825018203 /nfs/dbraw/zinc/01/82/03/825018203.db2.gz DKVKYKRWSLQMPM-MRXNPFEDSA-N 2 0 288.439 1.865 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052932364 825173636 /nfs/dbraw/zinc/17/36/36/825173636.db2.gz MUZVZFGCFLFBDW-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC000987572346 825204836 /nfs/dbraw/zinc/20/48/36/825204836.db2.gz UFCSSBPQJUETQL-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C[C@H](CNC(=[NH2+])N1CCSCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000261990277 825325185 /nfs/dbraw/zinc/32/51/85/825325185.db2.gz LQIWCIHUWSAHRW-CHWSQXEVSA-N 2 0 284.473 1.470 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028656708 825337516 /nfs/dbraw/zinc/33/75/16/825337516.db2.gz NCFGUZINUFVFDY-OAHLLOKOSA-N 2 0 291.439 1.629 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001020339600 825445728 /nfs/dbraw/zinc/44/57/28/825445728.db2.gz WOPVGVKWHMFYTJ-JYJNAYRXSA-N 2 0 293.455 1.920 20 30 CDEDRP C#CCC[N@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046483502 825531439 /nfs/dbraw/zinc/53/14/39/825531439.db2.gz BQTDIGLGWGFCNI-KRWDZBQOSA-N 2 0 296.374 1.552 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000925486136 828805218 /nfs/dbraw/zinc/80/52/18/828805218.db2.gz FGQOAWZINCIEBE-AWEZNQCLSA-N 2 0 288.395 1.237 20 30 CDEDRP C[NH2+]Cc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1 ZINC000884298663 825647327 /nfs/dbraw/zinc/64/73/27/825647327.db2.gz ZVRRGPRFFSRHSV-XOYHFGRZSA-N 2 0 298.390 1.484 20 30 CDEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC2=[NH+]CCN2C)C1 ZINC000848988051 825732275 /nfs/dbraw/zinc/73/22/75/825732275.db2.gz BAWDDALQCIGLRB-BETUJISGSA-N 2 0 252.406 1.245 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000989112145 825757205 /nfs/dbraw/zinc/75/72/05/825757205.db2.gz OAUAFRAYNLSFCV-GXTWGEPZSA-N 2 0 282.347 1.160 20 30 CDEDRP C[NH+]=C(NCC1CC[NH+](C2CC2)CC1)NC1CC1 ZINC000849022944 825772053 /nfs/dbraw/zinc/77/20/53/825772053.db2.gz WBQSGUHBKICVMU-UHFFFAOYSA-N 2 0 250.390 1.188 20 30 CDEDRP CC#CC[C@@H](CO)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000717748104 825842306 /nfs/dbraw/zinc/84/23/06/825842306.db2.gz HAVRPNAXGLBXJD-HNNXBMFYSA-N 2 0 273.380 1.414 20 30 CDEDRP COc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1C#N ZINC000817916019 825858552 /nfs/dbraw/zinc/85/85/52/825858552.db2.gz UATJVCZQCLEDFB-KCPJHIHWSA-N 2 0 289.379 1.409 20 30 CDEDRP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001046569560 825861990 /nfs/dbraw/zinc/86/19/90/825861990.db2.gz JDDZNJPEPRAGDX-YQQAZPJKSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001018866318 825869880 /nfs/dbraw/zinc/86/98/80/825869880.db2.gz YQSBWOCZMNDWJQ-HZSPNIEDSA-N 2 0 265.401 1.093 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC000989795972 825946824 /nfs/dbraw/zinc/94/68/24/825946824.db2.gz FLYCOTRUDVATRY-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001005994310 825985099 /nfs/dbraw/zinc/98/50/99/825985099.db2.gz BZRWFBZQDIDXSH-GDBMZVCRSA-N 2 0 293.455 1.683 20 30 CDEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001050462014 826006963 /nfs/dbraw/zinc/00/69/63/826006963.db2.gz MOFLTGCURPROLE-HNNXBMFYSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000999556511 826092015 /nfs/dbraw/zinc/09/20/15/826092015.db2.gz JKJQUBJBLPVMSD-AWEZNQCLSA-N 2 0 296.374 1.470 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](C)C ZINC001032473937 826127344 /nfs/dbraw/zinc/12/73/44/826127344.db2.gz IQXHGDIZRZJJTP-MELADBBJSA-N 2 0 265.401 1.188 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001008278790 826308215 /nfs/dbraw/zinc/30/82/15/826308215.db2.gz QHKGRTJHBGERDN-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[N@@H+](C)C1CCN(C(=O)C[C@@H](C)n2ccnc2)CC1 ZINC000985680938 826342860 /nfs/dbraw/zinc/34/28/60/826342860.db2.gz FAWVGBGDEBOZRC-CQSZACIVSA-N 2 0 288.395 1.390 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(N[C@@H]1C[C@H](OC)C1(C)C)=[NH+]C ZINC000261633528 826361468 /nfs/dbraw/zinc/36/14/68/826361468.db2.gz CRCOVKYIWBLKOJ-MCIONIFRSA-N 2 0 296.459 1.449 20 30 CDEDRP C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001024436264 826398337 /nfs/dbraw/zinc/39/83/37/826398337.db2.gz AWYJDFCQCPRTCE-CVEARBPZSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CCNC(=[NH2+])NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195164854 826446257 /nfs/dbraw/zinc/44/62/57/826446257.db2.gz YCFGFNODCQWYLK-OAHLLOKOSA-N 2 0 272.396 1.599 20 30 CDEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C ZINC001039395358 826721589 /nfs/dbraw/zinc/72/15/89/826721589.db2.gz KNKMQBAAXRLZFW-OWCLPIDISA-N 2 0 291.439 1.722 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cccc(C)c1 ZINC000303890353 826811822 /nfs/dbraw/zinc/81/18/22/826811822.db2.gz QANMUNMCTIXFAC-INIZCTEOSA-N 2 0 288.439 1.926 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000996904883 826821935 /nfs/dbraw/zinc/82/19/35/826821935.db2.gz PHSHMXJZXQQPQX-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]cn3)[C@@H]2C1 ZINC001075865441 826836935 /nfs/dbraw/zinc/83/69/35/826836935.db2.gz WHCCVNPTFKLPFM-GXTWGEPZSA-N 2 0 274.368 1.061 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC000989393323 826839514 /nfs/dbraw/zinc/83/95/14/826839514.db2.gz ZNODSINLXNKRAC-JSGCOSHPSA-N 2 0 265.401 1.093 20 30 CDEDRP C[C@H]1CCC[C@](CNC(=[NH2+])N2CCOCC2)([NH+](C)C)C1 ZINC000303893099 826893109 /nfs/dbraw/zinc/89/31/09/826893109.db2.gz RQPJTLQBEPGFJF-ZFWWWQNUSA-N 2 0 282.432 1.144 20 30 CDEDRP C#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046431489 826984151 /nfs/dbraw/zinc/98/41/51/826984151.db2.gz DRQQTIURDFTLFY-QGZVFWFLSA-N 2 0 296.374 1.470 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)Cn2cncc2C)CC[C@H]1C ZINC001071689845 827062458 /nfs/dbraw/zinc/06/24/58/827062458.db2.gz QMUYIVWLNUMPAD-OCCSQVGLSA-N 2 0 276.384 1.347 20 30 CDEDRP C=CCONC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000838706460 827161666 /nfs/dbraw/zinc/16/16/66/827161666.db2.gz PKQTUHOOROPEKE-CQSZACIVSA-N 2 0 298.431 1.162 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999223852 827163413 /nfs/dbraw/zinc/16/34/13/827163413.db2.gz NYPKOHXEIZUENX-UHFFFAOYSA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999176366 827257976 /nfs/dbraw/zinc/25/79/76/827257976.db2.gz WJYCMJUKMKTYFN-CVEARBPZSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CCOc1ccc(C[NH2+]CCOCC[NH+](C)C)cc1 ZINC000779432163 827467560 /nfs/dbraw/zinc/46/75/60/827467560.db2.gz MEBAJTCNNFBHJW-UHFFFAOYSA-N 2 0 276.380 1.366 20 30 CDEDRP C#CC[N@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034432279 827528586 /nfs/dbraw/zinc/52/85/86/827528586.db2.gz UHPNKVIXFAAKRE-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000999348392 827551790 /nfs/dbraw/zinc/55/17/90/827551790.db2.gz OCSSQMSBRGSXCF-HZPDHXFCSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001150702 827657738 /nfs/dbraw/zinc/65/77/38/827657738.db2.gz JAFLUDFYFLHIBO-HOCLYGCPSA-N 2 0 291.439 1.509 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000883131668 827678805 /nfs/dbraw/zinc/67/88/05/827678805.db2.gz MKWSRXVXYRGZFC-UHFFFAOYSA-N 2 0 283.379 1.312 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001042354654 827806469 /nfs/dbraw/zinc/80/64/69/827806469.db2.gz BKUDEBXLFOUYHA-HOTGVXAUSA-N 2 0 291.439 1.581 20 30 CDEDRP CC(C)[C@H](CNC(=[NH2+])N1CCCCC1)[NH+]1CCCC1 ZINC000303785171 827860928 /nfs/dbraw/zinc/86/09/28/827860928.db2.gz QBWVPGWBPTZAOV-AWEZNQCLSA-N 2 0 266.433 1.907 20 30 CDEDRP C[C@H](C[NH2+]C[C@H](O)c1ccc(C#N)cc1)C[NH+]1CCCC1 ZINC000062071211 827868592 /nfs/dbraw/zinc/86/85/92/827868592.db2.gz NKFXINITYILBBP-PBHICJAKSA-N 2 0 287.407 1.913 20 30 CDEDRP C#CC[NH+](C)CC[Si](C)(C)CC[N@@H+](C)CC#C ZINC000859275384 827873927 /nfs/dbraw/zinc/87/39/27/827873927.db2.gz IYNUBMNMJUNHQA-UHFFFAOYSA-N 2 0 250.462 1.825 20 30 CDEDRP CC[NH+]=C(NCC(F)F)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261976260 827934088 /nfs/dbraw/zinc/93/40/88/827934088.db2.gz NSQUEOOEONEWII-GXSJLCMTSA-N 2 0 274.359 1.289 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999409385 827976825 /nfs/dbraw/zinc/97/68/25/827976825.db2.gz XPLGYEOUXHKKCW-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001003967659 828012422 /nfs/dbraw/zinc/01/24/22/828012422.db2.gz NEVWHMIXWGQXNY-GOEBONIOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033070213 828081255 /nfs/dbraw/zinc/08/12/55/828081255.db2.gz PEPKJVKGDGLVTE-CVEARBPZSA-N 2 0 293.455 1.968 20 30 CDEDRP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001024801254 828093306 /nfs/dbraw/zinc/09/33/06/828093306.db2.gz LSXXUAGRLZOPCS-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CCn2ccnc2)C[C@H]1CC ZINC001037897736 828094830 /nfs/dbraw/zinc/09/48/30/828094830.db2.gz MNIILDJHGLGYFO-CABCVRRESA-N 2 0 290.411 1.676 20 30 CDEDRP CC#CCN1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001015840031 828119549 /nfs/dbraw/zinc/11/95/49/828119549.db2.gz QQFRHGSQWRZEFC-KRWDZBQOSA-N 2 0 299.418 1.576 20 30 CDEDRP C=CCCCCC[C@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000817946260 828121605 /nfs/dbraw/zinc/12/16/05/828121605.db2.gz UUWWRQASOVGZMR-AWEZNQCLSA-N 2 0 267.417 1.533 20 30 CDEDRP C=CCC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034490799 828182538 /nfs/dbraw/zinc/18/25/38/828182538.db2.gz NMYBAJBTJDLFQS-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001042354655 828197042 /nfs/dbraw/zinc/19/70/42/828197042.db2.gz BKUDEBXLFOUYHA-HZPDHXFCSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000923297999 828246940 /nfs/dbraw/zinc/24/69/40/828246940.db2.gz QMQHYGBDFNTFJZ-ZDUSSCGKSA-N 2 0 256.390 1.143 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001022351302 828327421 /nfs/dbraw/zinc/32/74/21/828327421.db2.gz WOPVGVKWHMFYTJ-OWCLPIDISA-N 2 0 293.455 1.920 20 30 CDEDRP N#CCC1CCC(NC(=[NH2+])NCCCC[NH3+])CC1 ZINC001173328147 912427138 /nfs/dbraw/zinc/42/71/38/912427138.db2.gz PGZNYUZKVIBZPW-UHFFFAOYSA-N 2 0 251.378 1.312 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001106313052 913851168 /nfs/dbraw/zinc/85/11/68/913851168.db2.gz UOOYFWUGUJCKIA-RBSFLKMASA-N 2 0 279.428 1.034 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127326744 913872819 /nfs/dbraw/zinc/87/28/19/913872819.db2.gz AUXCVNCQWNOTRV-UHFFFAOYSA-N 2 0 281.444 1.923 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176278765 914012728 /nfs/dbraw/zinc/01/27/28/914012728.db2.gz IYTZSBAPBIAAIX-AWEZNQCLSA-N 2 0 267.417 1.226 20 30 CDEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001104600026 898782873 /nfs/dbraw/zinc/78/28/73/898782873.db2.gz PZHXUBLFMRGGCW-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176997067 914423512 /nfs/dbraw/zinc/42/35/12/914423512.db2.gz HVUUVQYPJOSIEQ-MRXNPFEDSA-N 2 0 293.455 1.616 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001027628566 900688297 /nfs/dbraw/zinc/68/82/97/900688297.db2.gz FEPWKIHCQFSKTE-MRXNPFEDSA-N 2 0 291.439 1.274 20 30 CDEDRP N#CCc1ccc([N+](=O)[O-])c(NC(=[NH2+])NCCCC[NH3+])c1 ZINC001167882829 901639110 /nfs/dbraw/zinc/63/91/10/901639110.db2.gz ZOCCEFJTEBKQRD-UHFFFAOYSA-N 2 0 290.327 1.336 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087839986 905897445 /nfs/dbraw/zinc/89/74/45/905897445.db2.gz BXWIYSLCLSSWMT-XHSDSOJGSA-N 2 0 291.439 1.463 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002851279 921254160 /nfs/dbraw/zinc/25/41/60/921254160.db2.gz GGCUTXADAPDKDT-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001088414727 907129687 /nfs/dbraw/zinc/12/96/87/907129687.db2.gz OVUAHGNXRTTYSB-HNNXBMFYSA-N 2 0 289.423 1.076 20 30 CDEDRP C=C(C)C(=O)OCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168297815 908922999 /nfs/dbraw/zinc/92/29/99/908922999.db2.gz MGMXLVVFEZGMDI-UHFFFAOYSA-N 2 0 254.374 1.568 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189391155 921455853 /nfs/dbraw/zinc/45/58/53/921455853.db2.gz WNGMEHRRHPEADB-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178359320 915394991 /nfs/dbraw/zinc/39/49/91/915394991.db2.gz GAGGNGYMXHKFQR-IHRRRGAJSA-N 2 0 265.401 1.236 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179435535 915835884 /nfs/dbraw/zinc/83/58/84/915835884.db2.gz UQPPIEOJWJNMKX-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCC1 ZINC001484638741 915993232 /nfs/dbraw/zinc/99/32/32/915993232.db2.gz HQHNKTPWYUBDKR-CYBMUJFWSA-N 2 0 299.846 1.852 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124877719 936342438 /nfs/dbraw/zinc/34/24/38/936342438.db2.gz IHLDVWUVYBUUOQ-OLZOCXBDSA-N 2 0 253.390 1.141 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001180352284 916277554 /nfs/dbraw/zinc/27/75/54/916277554.db2.gz NWTMYOYZLWTPHF-HZPDHXFCSA-N 2 0 293.455 1.759 20 30 CDEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(CC3CCOCC3)C2)C1 ZINC001254648269 936434494 /nfs/dbraw/zinc/43/44/94/936434494.db2.gz HBAABEVTYLUTND-OWCLPIDISA-N 2 0 277.412 1.769 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001183288736 918421449 /nfs/dbraw/zinc/42/14/49/918421449.db2.gz MLLRDZRPTIWLDP-CYBMUJFWSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203577022 918688179 /nfs/dbraw/zinc/68/81/79/918688179.db2.gz MPPAIDWFYKMKJL-HUUCEWRRSA-N 2 0 293.455 1.921 20 30 CDEDRP N#Cc1cccc(CCC[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205208518 918891717 /nfs/dbraw/zinc/89/17/17/918891717.db2.gz CTRDCVYYZRDXDA-KRWDZBQOSA-N 2 0 287.407 1.667 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)CCc2ncc[nH]2)C[C@H]1C ZINC001184273631 918964434 /nfs/dbraw/zinc/96/44/34/918964434.db2.gz LWJOTJGFGXRCLG-KGLIPLIRSA-N 2 0 290.411 1.603 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001185031510 919389303 /nfs/dbraw/zinc/38/93/03/919389303.db2.gz PWMWPHKRDFBHRW-HOTGVXAUSA-N 2 0 293.455 1.426 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1C ZINC001185356947 919543238 /nfs/dbraw/zinc/54/32/38/919543238.db2.gz BDJGQXJVIDOILA-HOTGVXAUSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185407814 919603381 /nfs/dbraw/zinc/60/33/81/919603381.db2.gz DENOWGWPMWISKB-UONOGXRCSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001185446965 919630220 /nfs/dbraw/zinc/63/02/20/919630220.db2.gz OTMQJXHSSLITJV-CABCVRRESA-N 2 0 279.428 1.036 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001186082944 919860459 /nfs/dbraw/zinc/86/04/59/919860459.db2.gz PEODHPPVFLKANY-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001190247066 921932910 /nfs/dbraw/zinc/93/29/10/921932910.db2.gz JZZBFSRMFPGVRG-OWCLPIDISA-N 2 0 293.455 1.826 20 30 CDEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193279305 923584085 /nfs/dbraw/zinc/58/40/85/923584085.db2.gz OLRYTAGJRFUYED-CQSZACIVSA-N 2 0 267.417 1.437 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000923356733 923775271 /nfs/dbraw/zinc/77/52/71/923775271.db2.gz KHUKUFJKHOARMV-LSDHHAIUSA-N 2 0 252.402 1.635 20 30 CDEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194293385 924166587 /nfs/dbraw/zinc/16/65/87/924166587.db2.gz GZBLSXNLNSSERK-AWEZNQCLSA-N 2 0 267.417 1.435 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001080782782 924631921 /nfs/dbraw/zinc/63/19/21/924631921.db2.gz AZURHRRXOQLANQ-RBSFLKMASA-N 2 0 279.428 1.341 20 30 CDEDRP C[NH+](C)CCC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001165794205 925034264 /nfs/dbraw/zinc/03/42/64/925034264.db2.gz MFVBWHAOJMHBBT-UHFFFAOYSA-N 2 0 287.407 1.086 20 30 CDEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001198097636 925323171 /nfs/dbraw/zinc/32/31/71/925323171.db2.gz FIYXFIDVUJOAIO-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102215256 937045544 /nfs/dbraw/zinc/04/55/44/937045544.db2.gz NIHWFPKWNWMWAN-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001102496958 937061226 /nfs/dbraw/zinc/06/12/26/937061226.db2.gz UGURRPGZHUXUDM-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=CC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001102495706 937061500 /nfs/dbraw/zinc/06/15/00/937061500.db2.gz IKUYKQYOHLXWMC-ZIAGYGMSSA-N 2 0 267.417 1.198 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CCC)[C@H](C)C1 ZINC001102524799 937063636 /nfs/dbraw/zinc/06/36/36/937063636.db2.gz XAHRVMVZQHBGKZ-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001085673243 926276122 /nfs/dbraw/zinc/27/61/22/926276122.db2.gz SKLOAODZIZKZRW-LSDHHAIUSA-N 2 0 279.428 1.580 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001085783702 926394067 /nfs/dbraw/zinc/39/40/67/926394067.db2.gz BZPXLKKCAAFKKI-HRCADAONSA-N 2 0 291.439 1.273 20 30 CDEDRP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001103614218 937148321 /nfs/dbraw/zinc/14/83/21/937148321.db2.gz ISISSPAORVINOW-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=[NH2+])c1ccc(F)cn1)C2 ZINC001169098598 927696051 /nfs/dbraw/zinc/69/60/51/927696051.db2.gz JMEZHTNUAIYQKD-ZSBIGDGJSA-N 2 0 262.332 1.551 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110665010 928010873 /nfs/dbraw/zinc/01/08/73/928010873.db2.gz IBNRXUXAPGILCD-KFWWJZLASA-N 2 0 291.439 1.768 20 30 CDEDRP C[C@H]1C[N@H+](Cc2cc(C#N)ccn2)CCC[C@H]1C[NH3+] ZINC001206011742 928042258 /nfs/dbraw/zinc/04/22/58/928042258.db2.gz FYMPQPWMQOYDAC-JSGCOSHPSA-N 2 0 258.369 1.760 20 30 CDEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110693388 928323919 /nfs/dbraw/zinc/32/39/19/928323919.db2.gz KTWJBLJFLZOQDL-WCVJEAGWSA-N 2 0 291.439 1.317 20 30 CDEDRP C=CCC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001150626002 937241195 /nfs/dbraw/zinc/24/11/95/937241195.db2.gz RIYBGUDDUBMSEI-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108756210 928629578 /nfs/dbraw/zinc/62/95/78/928629578.db2.gz CTRYEZYAMJNGKP-KKUMJFAQSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001109733519 929020508 /nfs/dbraw/zinc/02/05/08/929020508.db2.gz SNCCLELYGMOEBA-QPSCCSFWSA-N 2 0 277.412 1.071 20 30 CDEDRP C=C[C@](C)(O)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001252571711 929447318 /nfs/dbraw/zinc/44/73/18/929447318.db2.gz JKTHUBBORDSAST-INIZCTEOSA-N 2 0 278.396 1.654 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001170742646 929669952 /nfs/dbraw/zinc/66/99/52/929669952.db2.gz MNMJMFFOYWFIKJ-CVEARBPZSA-N 2 0 293.455 1.757 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369881 929718000 /nfs/dbraw/zinc/71/80/00/929718000.db2.gz UFJLFRHPWNGNDD-LSDHHAIUSA-N 2 0 293.455 1.757 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152392858 937359040 /nfs/dbraw/zinc/35/90/40/937359040.db2.gz WTOMUSOYYMNYSA-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299036 930136321 /nfs/dbraw/zinc/13/63/21/930136321.db2.gz SMWVWUZAPQLWMN-KGLIPLIRSA-N 2 0 279.428 1.224 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135315539 930150665 /nfs/dbraw/zinc/15/06/65/930150665.db2.gz PVEKORBJXVWWQR-KGLIPLIRSA-N 2 0 269.433 1.777 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001086734548 930212847 /nfs/dbraw/zinc/21/28/47/930212847.db2.gz KRCWTKYTGLGPSQ-XHSDSOJGSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)CC)CCCCC1 ZINC001115601786 937399659 /nfs/dbraw/zinc/39/96/59/937399659.db2.gz REVLZUYSKDLJAQ-UHFFFAOYSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135924668 930543282 /nfs/dbraw/zinc/54/32/82/930543282.db2.gz VACQXSWTBZLJOU-LSDHHAIUSA-N 2 0 299.459 1.404 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939407 930551315 /nfs/dbraw/zinc/55/13/15/930551315.db2.gz ZTPIQZAWTYACHJ-KGLIPLIRSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135979924 930580241 /nfs/dbraw/zinc/58/02/41/930580241.db2.gz KGSCKSWCUJNAEJ-LSDHHAIUSA-N 2 0 299.459 1.404 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135981016 930581297 /nfs/dbraw/zinc/58/12/97/930581297.db2.gz WILXXYBGHLPICY-UONOGXRCSA-N 2 0 267.417 1.224 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]cnc1C ZINC001136036880 930614647 /nfs/dbraw/zinc/61/46/47/930614647.db2.gz ZMOKDDRQNCZXKV-VXGBXAGGSA-N 2 0 276.384 1.157 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313441 937438737 /nfs/dbraw/zinc/43/87/37/937438737.db2.gz QXLLEBDSAZZCSM-CABCVRRESA-N 2 0 279.428 1.319 20 30 CDEDRP CCCCCCC[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001275131887 931673788 /nfs/dbraw/zinc/67/37/88/931673788.db2.gz ZRLOIZDRNXCEAU-IRXDYDNUSA-N 2 0 297.487 1.903 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146409351 932245881 /nfs/dbraw/zinc/24/58/81/932245881.db2.gz WMGKNIDJJLKKED-UONOGXRCSA-N 2 0 267.417 1.531 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146535705 932262387 /nfs/dbraw/zinc/26/23/87/932262387.db2.gz MVIVHASIRHFWIT-HUUCEWRRSA-N 2 0 279.428 1.369 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146599338 932270484 /nfs/dbraw/zinc/27/04/84/932270484.db2.gz AXGYEFZCRAVINM-ZIAGYGMSSA-N 2 0 267.417 1.223 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147835525 932617298 /nfs/dbraw/zinc/61/72/98/932617298.db2.gz TZZLGYLOTLUSDM-UONOGXRCSA-N 2 0 267.417 1.389 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051965 932641823 /nfs/dbraw/zinc/64/18/23/932641823.db2.gz ZGTJOXXFBDZTNV-UHFFFAOYSA-N 2 0 262.357 1.043 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001092022126 932911924 /nfs/dbraw/zinc/91/19/24/932911924.db2.gz ONDPIOVFRIFVKE-VYDXJSESSA-N 2 0 293.455 1.683 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110962216 933204429 /nfs/dbraw/zinc/20/44/29/933204429.db2.gz OEDRHJZCSFCJGV-KFWWJZLASA-N 2 0 277.412 1.073 20 30 CDEDRP C=CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120130398 937782242 /nfs/dbraw/zinc/78/22/42/937782242.db2.gz ZBWWDKGGXIUUJI-HNNXBMFYSA-N 2 0 293.455 1.923 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC001121995431 937897832 /nfs/dbraw/zinc/89/78/32/937897832.db2.gz UMGGQKFLPMABGE-RFGFWPKPSA-N 2 0 267.417 1.502 20 30 CDEDRP C#CC[NH2+]CC(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC001122018715 937899422 /nfs/dbraw/zinc/89/94/22/937899422.db2.gz UPEOXIZLBIIJCL-AWEZNQCLSA-N 2 0 291.782 1.036 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409475 938364160 /nfs/dbraw/zinc/36/41/60/938364160.db2.gz NBTLUXJKSXRPCR-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+](C)CCN(CC)C(=O)C[N@@H+](C)CCC ZINC001156667689 938403655 /nfs/dbraw/zinc/40/36/55/938403655.db2.gz FUKNSAWMABUWCT-UHFFFAOYSA-N 2 0 255.406 1.295 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158428722 938623861 /nfs/dbraw/zinc/62/38/61/938623861.db2.gz QCVYKIHZIRSBSS-RBSFLKMASA-N 2 0 281.444 1.777 20 30 CDEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158768238 938662234 /nfs/dbraw/zinc/66/22/34/938662234.db2.gz QDPOXTWPPUPCSI-MRXNPFEDSA-N 2 0 293.455 1.664 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)c1sccc1C[NH+](C)C ZINC001159161999 938707305 /nfs/dbraw/zinc/70/73/05/938707305.db2.gz MTEJYPOYMUDFPA-UHFFFAOYSA-N 2 0 293.436 1.543 20 30 CDEDRP Cc1cc(-n2cc(CC[NH3+])c3c[nH+]ccc32)nc(C#N)n1 ZINC001160950612 938849018 /nfs/dbraw/zinc/84/90/18/938849018.db2.gz OEXOWMMWAUAKPY-UHFFFAOYSA-N 2 0 278.319 1.497 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161051798 938865453 /nfs/dbraw/zinc/86/54/53/938865453.db2.gz BRXIMEOSZAGIFN-CQSZACIVSA-N 2 0 267.417 1.533 20 30 CDEDRP C=CCC[N@H+]1CC=C(CCNC(=O)Cc2c[nH]cn2)CC1 ZINC001161336222 938891936 /nfs/dbraw/zinc/89/19/36/938891936.db2.gz OQEJODREQBVFMW-UHFFFAOYSA-N 2 0 288.395 1.667 20 30 CDEDRP C=CC[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161698980 938922369 /nfs/dbraw/zinc/92/23/69/938922369.db2.gz IQZYWWBPAIRBCY-INIZCTEOSA-N 2 0 291.439 1.653 20 30 CDEDRP N#Cc1c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)ncc2c1CCC[NH2+]C2 ZINC001162791102 939140615 /nfs/dbraw/zinc/14/06/15/939140615.db2.gz ZOZLAFKAJGMEKW-HFBAOOFYSA-N 2 0 295.390 1.175 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc2[nH]c(C#N)cc2n1 ZINC001163129366 939207409 /nfs/dbraw/zinc/20/74/09/939207409.db2.gz VFHQZAMYIDYBSJ-UHFFFAOYSA-N 2 0 299.382 1.713 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001165718352 939575748 /nfs/dbraw/zinc/57/57/48/939575748.db2.gz JGMBVNJPIYJBTB-CQSZACIVSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001166924500 939649798 /nfs/dbraw/zinc/64/97/98/939649798.db2.gz NJJNQWMRAVQDHB-OAHLLOKOSA-N 2 0 297.443 1.159 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001203443608 939686537 /nfs/dbraw/zinc/68/65/37/939686537.db2.gz XHMNVALCUYNLJO-UHFFFAOYSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203728651 939702255 /nfs/dbraw/zinc/70/22/55/939702255.db2.gz AJPVAJOWXQYSAU-LSDHHAIUSA-N 2 0 291.439 1.675 20 30 CDEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203793680 939705014 /nfs/dbraw/zinc/70/50/14/939705014.db2.gz SSNWIXXDMJXIRV-GJZGRUSLSA-N 2 0 291.439 1.367 20 30 CDEDRP CN(C)c1ccc(C[NH+]2CCC(C[NH3+])CC2)c(F)c1C#N ZINC001205052767 939818258 /nfs/dbraw/zinc/81/82/58/939818258.db2.gz CLTXUXDERWJGPU-UHFFFAOYSA-N 2 0 290.386 1.934 20 30 CDEDRP N#Cc1ccn2ncc(C[NH+]3CCC(C[NH3+])CC3)c2c1 ZINC001205057992 939818890 /nfs/dbraw/zinc/81/88/90/939818890.db2.gz BUVJYUKNYMBBDV-UHFFFAOYSA-N 2 0 269.352 1.377 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001207750538 940239867 /nfs/dbraw/zinc/23/98/67/940239867.db2.gz SPMWSUZVNCSCKE-ZIAGYGMSSA-N 2 0 281.444 1.729 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001208261760 940313712 /nfs/dbraw/zinc/31/37/12/940313712.db2.gz ROZJQLCWLMOWAD-HUUCEWRRSA-N 2 0 299.434 1.823 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001208333913 940320171 /nfs/dbraw/zinc/32/01/71/940320171.db2.gz AGVTZWOIALIYET-HOTGVXAUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213599286 940779809 /nfs/dbraw/zinc/77/98/09/940779809.db2.gz YWIHITABGSUYAJ-HUUCEWRRSA-N 2 0 297.443 1.110 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001215153436 940861757 /nfs/dbraw/zinc/86/17/57/940861757.db2.gz RLTFQFKEXHDNOH-CZUORRHYSA-N 2 0 296.374 1.408 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215460969 940887807 /nfs/dbraw/zinc/88/78/07/940887807.db2.gz LMJVFZYIZDJYPF-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215463192 940887965 /nfs/dbraw/zinc/88/79/65/940887965.db2.gz LMQZIDSKEJTRSH-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216839336 940968267 /nfs/dbraw/zinc/96/82/67/940968267.db2.gz STILGHJSGSAFNE-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001217932941 941029934 /nfs/dbraw/zinc/02/99/34/941029934.db2.gz FHGLRAZIQFSFAT-ARFHVFGLSA-N 2 0 294.439 1.858 20 30 CDEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC1=CC(=O)CC(C)(C)C1 ZINC001220413245 941445707 /nfs/dbraw/zinc/44/57/07/941445707.db2.gz CHFACKJVGLPZAG-AWEZNQCLSA-N 2 0 295.427 1.435 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC001220868339 941478573 /nfs/dbraw/zinc/47/85/73/941478573.db2.gz GOEFHLYUSMPPRO-RDBSUJKOSA-N 2 0 265.401 1.141 20 30 CDEDRP CC(C)C[C@](C)(C#N)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001221292461 941513457 /nfs/dbraw/zinc/51/34/57/941513457.db2.gz MDVYZNLZHUSLBR-GOEBONIOSA-N 2 0 296.459 1.927 20 30 CDEDRP Cc1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cc1C#N ZINC001222090652 941562756 /nfs/dbraw/zinc/56/27/56/941562756.db2.gz FYJSARFLNKUPND-UHFFFAOYSA-N 2 0 284.407 1.394 20 30 CDEDRP N#CCc1ccccc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222105037 941566178 /nfs/dbraw/zinc/56/61/78/941566178.db2.gz RULDQKJQJOSPJC-UHFFFAOYSA-N 2 0 284.407 1.280 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001225345656 941846525 /nfs/dbraw/zinc/84/65/25/941846525.db2.gz CCOFHVRVJUFPKX-RBSFLKMASA-N 2 0 277.412 1.121 20 30 CDEDRP C=CCOCC[NH+]1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001229253883 942440877 /nfs/dbraw/zinc/44/08/77/942440877.db2.gz MDUZVVWDRKRGCV-HNNXBMFYSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CCOc1cccc(CN2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235063152 944036848 /nfs/dbraw/zinc/03/68/48/944036848.db2.gz OZDNSRFHUPOSMA-QGZVFWFLSA-N 2 0 287.407 1.389 20 30 CDEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235356757 944134196 /nfs/dbraw/zinc/13/41/96/944134196.db2.gz YQVHZVBMIWPKTD-GJZGRUSLSA-N 2 0 279.428 1.435 20 30 CDEDRP C=CC[NH2+]CCN(CC[NH+](CC)CC)CC[NH+](CC)CC ZINC001235963890 944333638 /nfs/dbraw/zinc/33/36/38/944333638.db2.gz XPJFTSDHKPCHBA-UHFFFAOYSA-N 3 0 298.519 1.748 20 30 CDEDRP C=CC[NH2+]CCN1CC[NH2+]C[C@H]1c1ccc(F)cc1 ZINC001236130746 944410727 /nfs/dbraw/zinc/41/07/27/944410727.db2.gz UFDYZAUGYQJMHM-HNNXBMFYSA-N 2 0 263.360 1.548 20 30 CDEDRP C=CC[NH2+]CCN(Cc1ccncc1)[C@H]1CC[NH2+]C1 ZINC001236440536 944496050 /nfs/dbraw/zinc/49/60/50/944496050.db2.gz PLABINIDOORISR-HNNXBMFYSA-N 2 0 260.385 1.021 20 30 CDEDRP C[C@H](CC[NH2+]C[C@H](O)COc1ccccc1C#N)[NH+](C)C ZINC001262565777 946715607 /nfs/dbraw/zinc/71/56/07/946715607.db2.gz WEFQFJVHPYEZLR-HIFRSBDPSA-N 2 0 291.395 1.228 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH3+])[C@H]1CC[C@H](C#N)C1 ZINC001254644787 947568634 /nfs/dbraw/zinc/56/86/34/947568634.db2.gz XPIKUYODGNETFD-KBPBESRZSA-N 2 0 252.406 1.281 20 30 CDEDRP N#C[C@H]1CC[C@@H](NC(=[NH2+])SCCSC(N)=[NH2+])C1 ZINC001254644525 947568643 /nfs/dbraw/zinc/56/86/43/947568643.db2.gz STSLOTFFNVJLAH-JGVFFNPUSA-N 2 0 271.415 1.563 20 30 CDEDRP COCCC1([NH3+])CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254647493 947570481 /nfs/dbraw/zinc/57/04/81/947570481.db2.gz GVBRQRCECJNOEG-CHWSQXEVSA-N 2 0 251.374 1.508 20 30 CDEDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2[C@H]1CC[C@H](C#N)C1 ZINC001254666809 947581360 /nfs/dbraw/zinc/58/13/60/947581360.db2.gz YKCKDOJFQNATTK-YHUYYLMFSA-N 2 0 276.428 1.389 20 30 CDEDRP C[NH+]1CCN(C2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC001254664292 947582284 /nfs/dbraw/zinc/58/22/84/947582284.db2.gz HBFUMXNUIDMJKG-GOEBONIOSA-N 2 0 276.428 1.390 20 30 CDEDRP C=C(C)C(=O)OCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255668208 948062719 /nfs/dbraw/zinc/06/27/19/948062719.db2.gz ZVMNQKYBSPRWKC-AGUYFDCRSA-N 2 0 266.385 1.711 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]CC1CC[NH+](CC(C)C)CC1 ZINC001252492077 951363602 /nfs/dbraw/zinc/36/36/02/951363602.db2.gz ANMZKYQNVQJGFO-MRXNPFEDSA-N 2 0 284.444 1.508 20 30 CDEDRP C=CCC[C@@H](O)C[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001252622704 951515379 /nfs/dbraw/zinc/51/53/79/951515379.db2.gz YXIOMYUFNOHLRY-BZUAXINKSA-N 2 0 282.428 1.547 20 30 CDEDRP N#Cc1cccc(NC(=O)CC[NH2+]CCCn2ccnc2)c1 ZINC001329141436 955711134 /nfs/dbraw/zinc/71/11/34/955711134.db2.gz KNHWVEMJIHTJQZ-UHFFFAOYSA-N 2 0 297.362 1.763 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC001311893786 956772820 /nfs/dbraw/zinc/77/28/20/956772820.db2.gz JCXMFOCMQMSSTH-CQSZACIVSA-N 2 0 294.443 1.372 20 30 CDEDRP C[NH+]1CCC(C[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC001338460246 961810592 /nfs/dbraw/zinc/81/05/92/961810592.db2.gz HABWVTMXWKQCNG-ZDUSSCGKSA-N 2 0 253.390 1.219 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC001340350578 962903347 /nfs/dbraw/zinc/90/33/47/962903347.db2.gz XYUKSGDAIYSIKR-ZIAGYGMSSA-N 2 0 273.380 1.587 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001444385904 965817744 /nfs/dbraw/zinc/81/77/44/965817744.db2.gz KWFRAIXCMCHZLC-LLVKDONJSA-N 2 0 287.835 1.423 20 30 CDEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001100344863 968073120 /nfs/dbraw/zinc/07/31/20/968073120.db2.gz HWZDJRNHFPJJFV-PRLABOORSA-N 2 0 293.455 1.777 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001100419004 968290956 /nfs/dbraw/zinc/29/09/56/968290956.db2.gz LPQGCJKLNDVFBB-NRXISQOPSA-N 2 0 279.428 1.531 20 30 CDEDRP C[NH+](C)CC(C)(C)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC001356545442 969422825 /nfs/dbraw/zinc/42/28/25/969422825.db2.gz WWKMEXXWVDYJKG-GFCCVEGCSA-N 2 0 255.406 1.465 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001358025219 969680435 /nfs/dbraw/zinc/68/04/35/969680435.db2.gz YCMJXJRMBCVZTF-CVEARBPZSA-N 2 0 287.407 1.501 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001418426026 973815571 /nfs/dbraw/zinc/81/55/71/973815571.db2.gz AQZCFJRNSUHLRN-NEPJUHHUSA-N 2 0 275.824 1.564 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001388684861 975551790 /nfs/dbraw/zinc/55/17/90/975551790.db2.gz SYQILFRDBOLWHC-BETUJISGSA-N 2 0 287.835 1.565 20 30 CDEDRP CC#CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132434001 1163288574 /nfs/dbraw/zinc/28/85/74/1163288574.db2.gz SJWRSDJXGWZFKB-HZPDHXFCSA-N 2 0 293.455 1.711 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001133226557 1163608439 /nfs/dbraw/zinc/60/84/39/1163608439.db2.gz WBPYYKNMEGFNPJ-HOTGVXAUSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001133253527 1163619849 /nfs/dbraw/zinc/61/98/49/1163619849.db2.gz IXXHDPWEIKFGMS-CVEARBPZSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC000591667753 342641230 /nfs/dbraw/zinc/64/12/30/342641230.db2.gz VSHTWKZZPCNQFO-HOTGVXAUSA-N 2 0 293.455 1.753 20 30 CDEDRP N#Cc1cccc(CN2CCC([NH2+]C3CC[NH2+]CC3)CC2)c1 ZINC000593319907 342788140 /nfs/dbraw/zinc/78/81/40/342788140.db2.gz FZINKNQOBDJZMB-UHFFFAOYSA-N 2 0 298.434 1.864 20 30 CDEDRP N#Cc1ccc(CC[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000594718569 342948102 /nfs/dbraw/zinc/94/81/02/342948102.db2.gz SVKAZFQYQUUMGK-INIZCTEOSA-N 2 0 273.380 1.147 20 30 CDEDRP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000595611905 343109161 /nfs/dbraw/zinc/10/91/61/343109161.db2.gz OWXOOQBHQSXOBM-CABCVRRESA-N 2 0 292.427 1.165 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442891402 362102844 /nfs/dbraw/zinc/10/28/44/362102844.db2.gz ROBVYFNISMTUBJ-AWEZNQCLSA-N 2 0 253.434 1.957 20 30 CDEDRP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000598592947 343839007 /nfs/dbraw/zinc/83/90/07/343839007.db2.gz OKNNBYGVOFWJOU-HUUCEWRRSA-N 2 0 279.428 1.705 20 30 CDEDRP CCC[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598704813 343877193 /nfs/dbraw/zinc/87/71/93/343877193.db2.gz ULSUJTYJNFTJGY-AWEZNQCLSA-N 2 0 267.417 1.751 20 30 CDEDRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598720974 343883627 /nfs/dbraw/zinc/88/36/27/343883627.db2.gz RFWDVLMIERBKLB-OAHLLOKOSA-N 2 0 281.444 1.999 20 30 CDEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H](C)CN(C)C ZINC000602656443 344518249 /nfs/dbraw/zinc/51/82/49/344518249.db2.gz UIFRAVGHHBJFBS-OLZOCXBDSA-N 2 0 253.390 1.625 20 30 CDEDRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])N[C@H](C)COC)c1 ZINC000264082399 362962061 /nfs/dbraw/zinc/96/20/61/362962061.db2.gz HXNJOOPDTNCPHF-CYBMUJFWSA-N 2 0 292.427 1.578 20 30 CDEDRP CCNC(=[NH2+])NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264082374 362961275 /nfs/dbraw/zinc/96/12/75/362961275.db2.gz HXBZPTHDOLTANR-HNNXBMFYSA-N 2 0 274.412 1.475 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[NH+](CC)CC)CC1 ZINC000106327417 357235796 /nfs/dbraw/zinc/23/57/96/357235796.db2.gz KMCDCFJQABWRDU-UHFFFAOYSA-N 2 0 296.459 1.668 20 30 CDEDRP Cn1cc(CN2CCC[C@@H]([NH+](C)C)CC2)cc1C#N ZINC000334558568 357603507 /nfs/dbraw/zinc/60/35/07/357603507.db2.gz DSWINOAQIXGFMN-CQSZACIVSA-N 2 0 260.385 1.813 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000449324622 358349028 /nfs/dbraw/zinc/34/90/28/358349028.db2.gz GJQJCOCEOJEOID-OAGGEKHMSA-N 2 0 293.455 1.657 20 30 CDEDRP N#Cc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)s1 ZINC000176967290 366420006 /nfs/dbraw/zinc/42/00/06/366420006.db2.gz BAACUQUQHOCLIO-ZDUSSCGKSA-N 2 0 293.436 1.946 20 30 CDEDRP C#CCC[NH+]1CCN(c2cc(CC)nc(C)n2)CC1 ZINC000272890214 359469411 /nfs/dbraw/zinc/46/94/11/359469411.db2.gz NNXYKUONTNQZBL-UHFFFAOYSA-N 2 0 258.369 1.493 20 30 CDEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000110650333 365113410 /nfs/dbraw/zinc/11/34/10/365113410.db2.gz ZJGOCEIVLGFAOX-CYBMUJFWSA-N 2 0 265.401 1.246 20 30 CDEDRP CCCCCCNC(=[NH2+])NCCN1CCC[N@H+](C)CC1 ZINC000303896307 391138991 /nfs/dbraw/zinc/13/89/91/391138991.db2.gz UJMMEBKGXMJLKJ-UHFFFAOYSA-N 2 0 283.464 1.109 20 30 CDEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976128 391372604 /nfs/dbraw/zinc/37/26/04/391372604.db2.gz KKHOCVCZNHQUJP-SOUVJXGZSA-N 2 0 279.428 1.389 20 30 CDEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000192823550 392540499 /nfs/dbraw/zinc/54/04/99/392540499.db2.gz LZGYCOGNLDIDKQ-IKGGRYGDSA-N 2 0 292.471 1.932 20 30 CDEDRP C[NH+]=C(NCc1c(C)noc1C)NC[C@H]1CCC[N@@H+]1C ZINC000157046423 261138291 /nfs/dbraw/zinc/13/82/91/261138291.db2.gz SVWCQASRIJKDMH-GFCCVEGCSA-N 2 0 279.388 1.051 20 30 CDEDRP C=CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000414685931 263032360 /nfs/dbraw/zinc/03/23/60/263032360.db2.gz FEGJJKUYQASHAX-BFHYXJOUSA-N 2 0 286.441 1.050 20 30 CDEDRP C=CC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000370692556 267339820 /nfs/dbraw/zinc/33/98/20/267339820.db2.gz YOBCWSXPJOBZDK-UHFFFAOYSA-N 2 0 251.418 1.663 20 30 CDEDRP CC#CC[NH2+]CCN(CC)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001668459448 1173415687 /nfs/dbraw/zinc/41/56/87/1173415687.db2.gz LOQVUFPCPBQLRY-AWEZNQCLSA-N 2 0 267.417 1.034 20 30 CDEDRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000192931206 282051563 /nfs/dbraw/zinc/05/15/63/282051563.db2.gz VCNAAIHNCZWQBN-GJZGRUSLSA-N 2 0 278.444 1.684 20 30 CDEDRP CC(C)C[N@@H+]1CC[C@H](C[NH+]=C(N(C)C)N(C)C)C1 ZINC000262340869 330007028 /nfs/dbraw/zinc/00/70/28/330007028.db2.gz COMBGEUNWOKIDN-CYBMUJFWSA-N 2 0 254.422 1.444 20 30 CDEDRP [NH2+]=C(NCC1CCC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000262524287 330019283 /nfs/dbraw/zinc/01/92/83/330019283.db2.gz JVJBTQRIQPBLEL-UHFFFAOYSA-N 2 0 294.443 1.336 20 30 CDEDRP C#CCNC(NC[C@H](C1CCCCC1)[NH+](C)C)=[NH+]C ZINC000262636079 330023724 /nfs/dbraw/zinc/02/37/24/330023724.db2.gz ZMHLSMOVKINOLD-CQSZACIVSA-N 2 0 264.417 1.295 20 30 CDEDRP C[C@H]1C[NH+]=C(NCC2([NH+](C)C)CCCCCC2)N1 ZINC000262672423 330025988 /nfs/dbraw/zinc/02/59/88/330025988.db2.gz RRPGFNFXSRQSBU-LBPRGKRZSA-N 2 0 252.406 1.578 20 30 CDEDRP CC1(C)CCC[N@H+](CCNC(=[NH2+])NCC2CCC2)C1 ZINC000262996349 330038240 /nfs/dbraw/zinc/03/82/40/330038240.db2.gz WIJILEJGHOXFHV-UHFFFAOYSA-N 2 0 266.433 1.813 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H](C)C1C[NH2+]C1)C(C)C ZINC000422825749 330156476 /nfs/dbraw/zinc/15/64/76/330156476.db2.gz BAKFWAIADPBAOI-GOEBONIOSA-N 2 0 265.445 1.883 20 30 CDEDRP C=C(C)C[NH+]1CCC(N[C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422981198 330162427 /nfs/dbraw/zinc/16/24/27/330162427.db2.gz SFKRWVABJAXOFQ-ZFWWWQNUSA-N 2 0 251.418 1.757 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)C(C)C ZINC000423347326 330192645 /nfs/dbraw/zinc/19/26/45/330192645.db2.gz RDBDDSCMITTXFW-INMHGKMJSA-N 2 0 291.439 1.553 20 30 CDEDRP C#CCN1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000490780364 332115191 /nfs/dbraw/zinc/11/51/91/332115191.db2.gz KONDJMXVIYJNPH-HZPDHXFCSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CCNC(=O)CC[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000491655635 332267518 /nfs/dbraw/zinc/26/75/18/332267518.db2.gz AHDCKHNWGQUDBR-GJZGRUSLSA-N 2 0 279.428 1.084 20 30 CDEDRP C#CCNC(=O)CC[NH2+]Cc1ccc(CC[NH+](C)C)cc1 ZINC000491664279 332272928 /nfs/dbraw/zinc/27/29/28/332272928.db2.gz SHPNPRNOJCEJHW-UHFFFAOYSA-N 2 0 287.407 1.020 20 30 CDEDRP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001755480022 1160187333 /nfs/dbraw/zinc/18/73/33/1160187333.db2.gz ISFAUQGBIPKWCQ-SHTZXODSSA-N 2 0 279.428 1.389 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417545880 482595315 /nfs/dbraw/zinc/59/53/15/482595315.db2.gz YLJQVIGDXYYNME-HIFRSBDPSA-N 2 0 294.443 1.596 20 30 CDEDRP C=C(C)CN1CCC([NH2+][C@H](C)Cn2cncn2)CC1 ZINC000657874812 482907761 /nfs/dbraw/zinc/90/77/61/482907761.db2.gz AXVAGLPLSGDSIP-CYBMUJFWSA-N 2 0 263.389 1.297 20 30 CDEDRP C#CCC[NH+]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000981369469 613002545 /nfs/dbraw/zinc/00/25/45/613002545.db2.gz MLPGOYAUAOEPQV-INIZCTEOSA-N 2 0 291.439 1.418 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC)CC1 ZINC000961028209 613128455 /nfs/dbraw/zinc/12/84/55/613128455.db2.gz QJYFKMOOWQFRFS-MRXNPFEDSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000969144658 613306681 /nfs/dbraw/zinc/30/66/81/613306681.db2.gz QPBUODVVEWQEIM-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000969955714 613348319 /nfs/dbraw/zinc/34/83/19/613348319.db2.gz RSLQGUXOPBVHJT-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000981283427 613493770 /nfs/dbraw/zinc/49/37/70/613493770.db2.gz WASFDRHSQJNOHR-INIZCTEOSA-N 2 0 293.455 1.971 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000947684588 613578501 /nfs/dbraw/zinc/57/85/01/613578501.db2.gz JBAFVGQUCJZYRL-GOEBONIOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000971843066 613615218 /nfs/dbraw/zinc/61/52/18/613615218.db2.gz FTEQKWLQSMPVDD-CVEARBPZSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982148498 613680728 /nfs/dbraw/zinc/68/07/28/613680728.db2.gz LBWVEXPTQTWHMH-AWEZNQCLSA-N 2 0 277.412 1.049 20 30 CDEDRP C=CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000981176208 613692731 /nfs/dbraw/zinc/69/27/31/613692731.db2.gz PIRMTCZZEHZSTC-OAHLLOKOSA-N 2 0 277.412 1.049 20 30 CDEDRP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000977659789 613827532 /nfs/dbraw/zinc/82/75/32/613827532.db2.gz YCWKBCNGYZNVPK-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981527473 613872850 /nfs/dbraw/zinc/87/28/50/613872850.db2.gz JHTTWDIPMCYJDG-KBPBESRZSA-N 2 0 265.401 1.285 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000891522663 617459664 /nfs/dbraw/zinc/45/96/64/617459664.db2.gz TUAWGWMJRFHIAE-HOCLYGCPSA-N 2 0 292.427 1.221 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000891521507 617459890 /nfs/dbraw/zinc/45/98/90/617459890.db2.gz HTZNSLYJPTVSOD-CQSZACIVSA-N 2 0 294.443 1.550 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904658388 626329752 /nfs/dbraw/zinc/32/97/52/626329752.db2.gz HKILFKIKBUTHNT-UHFFFAOYSA-N 2 0 288.395 1.917 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000911735244 629456831 /nfs/dbraw/zinc/45/68/31/629456831.db2.gz VSSYTAOETRIESZ-OAHLLOKOSA-N 2 0 275.396 1.488 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000911765827 629482721 /nfs/dbraw/zinc/48/27/21/629482721.db2.gz ASUIWZOJKQFDNI-CHWSQXEVSA-N 2 0 253.390 1.271 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266859055 1158913099 /nfs/dbraw/zinc/91/30/99/1158913099.db2.gz WRFPEFORTGFGPL-JKSUJKDBSA-N 2 0 293.455 1.567 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790787 1163047566 /nfs/dbraw/zinc/04/75/66/1163047566.db2.gz VVRDJEPTPUKTKY-AWEZNQCLSA-N 2 0 265.401 1.143 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790225 1163048329 /nfs/dbraw/zinc/04/83/29/1163048329.db2.gz JCDCYONZQIWPIK-GDBMZVCRSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CC[NH2+]CC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381766103 1160000942 /nfs/dbraw/zinc/00/09/42/1160000942.db2.gz NSJGHHHXPGWNPP-WBVHZDCISA-N 2 0 299.418 1.236 20 30 CDEDRP C#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C ZINC001755833405 1160619900 /nfs/dbraw/zinc/61/99/00/1160619900.db2.gz YTNJTXCAJSZDIM-AWEZNQCLSA-N 2 0 295.471 1.718 20 30 CDEDRP C#CCC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132265582 1163218067 /nfs/dbraw/zinc/21/80/67/1163218067.db2.gz PBRIMPZGLWRRDG-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133090166 1163567376 /nfs/dbraw/zinc/56/73/76/1163567376.db2.gz CZGOSHYEGLEINB-ZIAGYGMSSA-N 2 0 267.417 1.198 20 30 CDEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001133274164 1163622080 /nfs/dbraw/zinc/62/20/80/1163622080.db2.gz CJJTZSZSZSVLRN-CABCVRRESA-N 2 0 279.428 1.036 20 30 CDEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001155289189 1167116433 /nfs/dbraw/zinc/11/64/33/1167116433.db2.gz NMCAGTDKGHWZQJ-CABCVRRESA-N 2 0 299.459 1.356 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001342365071 1167486013 /nfs/dbraw/zinc/48/60/13/1167486013.db2.gz UTYURPLJXUHABB-AVGNSLFASA-N 2 0 253.390 1.304 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC000073436861 1171976347 /nfs/dbraw/zinc/97/63/47/1171976347.db2.gz VYYRQPWTTWCXAJ-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001665080999 1172937545 /nfs/dbraw/zinc/93/75/45/1172937545.db2.gz SMGVRAZPWLLPEI-HNNXBMFYSA-N 2 0 279.428 1.322 20 30 CDEDRP C[NH+](C)C[C@@](C)(O)C[NH2+]C1CCC(C)(C#N)CC1 ZINC001620871745 1173378752 /nfs/dbraw/zinc/37/87/52/1173378752.db2.gz OQNNCFDRJIHFBA-RUXDESIVSA-N 2 0 253.390 1.361 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001699761843 1176612444 /nfs/dbraw/zinc/61/24/44/1176612444.db2.gz LMUKWYJPNNKDHR-GJZGRUSLSA-N 2 0 281.444 1.729 20 30 CDEDRP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001723408498 1178120352 /nfs/dbraw/zinc/12/03/52/1178120352.db2.gz XOONFDKGYNXJHF-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001724184794 1181649549 /nfs/dbraw/zinc/64/95/49/1181649549.db2.gz VEYDEEYVNXILKE-TZMCWYRMSA-N 2 0 253.390 1.093 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001731545787 1182444067 /nfs/dbraw/zinc/44/40/67/1182444067.db2.gz FCIJBJYHVLGTTC-JKSUJKDBSA-N 2 0 291.439 1.463 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001752490077 1184870583 /nfs/dbraw/zinc/87/05/83/1184870583.db2.gz FCGPJSTWQFOHJF-HOCLYGCPSA-N 2 0 293.455 1.779 20 30 CDEDRP C#CCC[NH2+][C@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001752499121 1184871602 /nfs/dbraw/zinc/87/16/02/1184871602.db2.gz JAPBSGXEVHDMCP-MRXNPFEDSA-N 2 0 291.439 1.370 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001752814955 1184920590 /nfs/dbraw/zinc/92/05/90/1184920590.db2.gz KRRACEGEUBYCIM-OAHLLOKOSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CCC[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001753066922 1185034155 /nfs/dbraw/zinc/03/41/55/1185034155.db2.gz UFGBGVBYWXRVJH-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP CC#CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001753295197 1185146620 /nfs/dbraw/zinc/14/66/20/1185146620.db2.gz HTQXTTMSQHSOJC-HNNXBMFYSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CCC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001753511202 1185241187 /nfs/dbraw/zinc/24/11/87/1185241187.db2.gz BRZOHNKBGVTVBX-UHFFFAOYSA-N 2 0 277.412 1.124 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001753897596 1185386239 /nfs/dbraw/zinc/38/62/39/1185386239.db2.gz LTRMSSZQDXDRFV-ZIAGYGMSSA-N 2 0 267.417 1.389 20 30 CDEDRP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001754044577 1185439312 /nfs/dbraw/zinc/43/93/12/1185439312.db2.gz KEJRBKHIKPNMCC-AWEZNQCLSA-N 2 0 299.846 1.519 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001754599860 1185679582 /nfs/dbraw/zinc/67/95/82/1185679582.db2.gz VSBPWCISHFPNIQ-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CCC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCC1 ZINC001754988013 1185780187 /nfs/dbraw/zinc/78/01/87/1185780187.db2.gz ODLWCPSGGOERLD-UHFFFAOYSA-N 2 0 291.439 1.370 20 30 CDEDRP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)CCC ZINC001755201373 1185853026 /nfs/dbraw/zinc/85/30/26/1185853026.db2.gz QUFBITPPBLSQJO-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001755559427 1185991013 /nfs/dbraw/zinc/99/10/13/1185991013.db2.gz BQWYFFVRUYNIDH-OAHLLOKOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001049654537 828841990 /nfs/dbraw/zinc/84/19/90/828841990.db2.gz JNSOVNFQDHSQHW-PMPSAXMXSA-N 2 0 291.439 1.722 20 30 CDEDRP C=CC[N@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001072939975 832101564 /nfs/dbraw/zinc/10/15/64/832101564.db2.gz HJQSCVQNLWKUEM-UHFFFAOYSA-N 2 0 277.412 1.049 20 30 CDEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997861486 832996044 /nfs/dbraw/zinc/99/60/44/832996044.db2.gz UDWPAPMYWNBEFN-ZFWWWQNUSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034132933 833038229 /nfs/dbraw/zinc/03/82/29/833038229.db2.gz VHKMFRYDLKPEJC-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000999708529 833037444 /nfs/dbraw/zinc/03/74/44/833037444.db2.gz RKDGCHSSJRWAQK-CQSZACIVSA-N 2 0 284.363 1.715 20 30 CDEDRP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001034361002 833094084 /nfs/dbraw/zinc/09/40/84/833094084.db2.gz AWYBCPGYLBMUCC-HRCADAONSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001054729746 833488879 /nfs/dbraw/zinc/48/88/79/833488879.db2.gz BNKKONBXSIWCRS-AAEUAGOBSA-N 2 0 299.846 1.660 20 30 CDEDRP C[C@H]1C[C@H](C)C[NH+](CCC[NH+]=C(N(C)C)N(C)C)C1 ZINC000104168621 833302040 /nfs/dbraw/zinc/30/20/40/833302040.db2.gz PTJMLDGSWRBNHJ-KBPBESRZSA-N 2 0 268.449 1.834 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(C)nc1 ZINC000304763335 833322105 /nfs/dbraw/zinc/32/21/05/833322105.db2.gz WRLLYVUEUVFNJT-HNNXBMFYSA-N 2 0 289.427 1.321 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001036091496 828850853 /nfs/dbraw/zinc/85/08/53/828850853.db2.gz FHWHERDCDHKSIO-CJNGLKHVSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001044767406 833326165 /nfs/dbraw/zinc/32/61/65/833326165.db2.gz OFMIAGWFCPZCAH-GOEBONIOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3ncc[nH]3)CC[C@@H]21 ZINC001036850686 833343555 /nfs/dbraw/zinc/34/35/55/833343555.db2.gz ALRSHHBSLYHQCN-STQMWFEESA-N 2 0 274.368 1.061 20 30 CDEDRP C=CCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000925627790 829013212 /nfs/dbraw/zinc/01/32/12/829013212.db2.gz FCOCCQWZJCMESA-MQVJKMGUSA-N 2 0 282.428 1.811 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001027419482 829044232 /nfs/dbraw/zinc/04/42/32/829044232.db2.gz RARCEDFSNYZZSZ-OWCLPIDISA-N 2 0 291.439 1.273 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007348007 829066965 /nfs/dbraw/zinc/06/69/65/829066965.db2.gz XSYJNIBTIYJACH-HZPDHXFCSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001016974981 829092983 /nfs/dbraw/zinc/09/29/83/829092983.db2.gz OKSZNYSTESTCSW-AWEZNQCLSA-N 2 0 277.412 1.239 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995804210 833373679 /nfs/dbraw/zinc/37/36/79/833373679.db2.gz RDKGBHIROFSOTR-HUUCEWRRSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032042337 829195535 /nfs/dbraw/zinc/19/55/35/829195535.db2.gz AJVTXYJLTXHENM-JKSUJKDBSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000985458682 829325627 /nfs/dbraw/zinc/32/56/27/829325627.db2.gz FKKPLBWFWOXBPB-INIZCTEOSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000986480952 829341235 /nfs/dbraw/zinc/34/12/35/829341235.db2.gz JRNKTFYECUMQES-WFASDCNBSA-N 2 0 284.363 1.713 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)Cn2cncc2C)CC1 ZINC001003318410 833421066 /nfs/dbraw/zinc/42/10/66/833421066.db2.gz IEUSGDMOMYVAKS-UHFFFAOYSA-N 2 0 290.411 1.738 20 30 CDEDRP CCCCNC(=[NH2+])NCC[C@H](C)[NH+]1CCCCC1 ZINC000305813639 829832533 /nfs/dbraw/zinc/83/25/33/829832533.db2.gz KWDOIAPQYQZDAZ-ZDUSSCGKSA-N 2 0 254.422 1.955 20 30 CDEDRP COc1ccccc1CNC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 ZINC000178564246 829834348 /nfs/dbraw/zinc/83/43/48/829834348.db2.gz OBVUCOMSPZNOBQ-CYBMUJFWSA-N 2 0 290.411 1.441 20 30 CDEDRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000818981729 829842529 /nfs/dbraw/zinc/84/25/29/829842529.db2.gz XVAXWKKZNVJLPF-DOTOQJQBSA-N 2 0 287.407 1.913 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001026148371 829870784 /nfs/dbraw/zinc/87/07/84/829870784.db2.gz CJBBUOASERWUTF-NPCUJANDSA-N 2 0 291.439 1.482 20 30 CDEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001076046874 829961857 /nfs/dbraw/zinc/96/18/57/829961857.db2.gz QKEJPZBLWDIZIR-XJKSGUPXSA-N 2 0 296.374 1.667 20 30 CDEDRP C#CC[C@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](CC#C)C2)C1 ZINC000886362939 829982294 /nfs/dbraw/zinc/98/22/94/829982294.db2.gz TVWWCXIFHZIFAF-ROUUACIJSA-N 2 0 288.435 1.693 20 30 CDEDRP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000985435335 830023222 /nfs/dbraw/zinc/02/32/22/830023222.db2.gz YYKDVYAESMKRBV-INIZCTEOSA-N 2 0 293.455 1.968 20 30 CDEDRP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001041684219 830023388 /nfs/dbraw/zinc/02/33/88/830023388.db2.gz BUIBCSHDUAABLL-RDJZCZTQSA-N 2 0 291.439 1.274 20 30 CDEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCO[C@H](C)C#N)C1 ZINC000801925179 830041143 /nfs/dbraw/zinc/04/11/43/830041143.db2.gz ZVGUGTMVTCODGE-CABCVRRESA-N 2 0 283.416 1.348 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001022712824 830070338 /nfs/dbraw/zinc/07/03/38/830070338.db2.gz APYPPARTUZCILN-ZENOOKHLSA-N 2 0 295.402 1.069 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050753199 830078170 /nfs/dbraw/zinc/07/81/70/830078170.db2.gz DSCQCGMZMDTJJN-HNNXBMFYSA-N 2 0 291.439 1.439 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@H](CC(C)C)[NH+]1CCCC1 ZINC000303790374 830346303 /nfs/dbraw/zinc/34/63/03/830346303.db2.gz WDIBLNIQCWNSCO-HNNXBMFYSA-N 2 0 298.475 1.828 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H]1C ZINC000993806460 830369493 /nfs/dbraw/zinc/36/94/93/830369493.db2.gz PCGJOHFOMQTJOB-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP N#Cc1ccc(NCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000925893197 830589303 /nfs/dbraw/zinc/58/93/03/830589303.db2.gz MVBCVADNHBWGFV-SOUVJXGZSA-N 2 0 285.395 1.343 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033594512 830597668 /nfs/dbraw/zinc/59/76/68/830597668.db2.gz QVMVCVQBZHDCEH-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)CC ZINC000190534554 833681230 /nfs/dbraw/zinc/68/12/30/833681230.db2.gz DCGTXMOOVHSIFQ-LBPRGKRZSA-N 2 0 254.422 1.811 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001029004123 833750991 /nfs/dbraw/zinc/75/09/91/833750991.db2.gz TWFSAOSLPKEPGT-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP C#C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCO1 ZINC000839015524 832091006 /nfs/dbraw/zinc/09/10/06/832091006.db2.gz RVHSYLLMCNVPDU-IAGOWNOFSA-N 2 0 285.391 1.821 20 30 CDEDRP CC#CC[N@@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071995551 832092718 /nfs/dbraw/zinc/09/27/18/832092718.db2.gz LMTFRFUKXSEZPS-HUUCEWRRSA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC000986353943 832165678 /nfs/dbraw/zinc/16/56/78/832165678.db2.gz JZTNDGUSXHXYDB-GXTWGEPZSA-N 2 0 299.846 1.802 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014708400 832269050 /nfs/dbraw/zinc/26/90/50/832269050.db2.gz XEEDIGFDPLBTAL-JKSUJKDBSA-N 2 0 291.439 1.178 20 30 CDEDRP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000261712851 832294542 /nfs/dbraw/zinc/29/45/42/832294542.db2.gz DUYQFVHTDGKMQH-ZIAGYGMSSA-N 2 0 282.432 1.190 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994255180 832426601 /nfs/dbraw/zinc/42/66/01/832426601.db2.gz PSLPBSQJQFYGCW-CABCVRRESA-N 2 0 289.423 1.075 20 30 CDEDRP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049552382 832427660 /nfs/dbraw/zinc/42/76/60/832427660.db2.gz URKYDJGFTGGNTK-OWCLPIDISA-N 2 0 291.439 1.415 20 30 CDEDRP C=CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001049654536 833855725 /nfs/dbraw/zinc/85/57/25/833855725.db2.gz JNSOVNFQDHSQHW-JYJNAYRXSA-N 2 0 291.439 1.722 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049170820 832482208 /nfs/dbraw/zinc/48/22/08/832482208.db2.gz FZDAUHTVHCPZOJ-HRCADAONSA-N 2 0 291.439 1.295 20 30 CDEDRP C[C@@H](CCNC(=[NH2+])N(C)C1CC1)[NH+]1CCCCC1 ZINC000305839820 832583705 /nfs/dbraw/zinc/58/37/05/832583705.db2.gz YRAZUZSVFIFMOT-LBPRGKRZSA-N 2 0 252.406 1.660 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001027442528 833895396 /nfs/dbraw/zinc/89/53/96/833895396.db2.gz WZACMVFZGHZGBK-HNNXBMFYSA-N 2 0 277.412 1.027 20 30 CDEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000304821770 832690053 /nfs/dbraw/zinc/69/00/53/832690053.db2.gz CKXSCSKQGXWJCM-KGLIPLIRSA-N 2 0 284.448 1.390 20 30 CDEDRP C[C@@H]1CCC[N@H+](CCCCNC(=[NH2+])N(C)C2CC2)C1 ZINC000305820282 832876185 /nfs/dbraw/zinc/87/61/85/832876185.db2.gz OJCMFTIHXFJPNE-CYBMUJFWSA-N 2 0 266.433 1.907 20 30 CDEDRP C=CCNC(=O)C[NH2+][C@H](Cn1ccnc1)c1ccccc1 ZINC000880568483 832887289 /nfs/dbraw/zinc/88/72/89/832887289.db2.gz AFOWOTLQJORQIF-OAHLLOKOSA-N 2 0 284.363 1.516 20 30 CDEDRP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001033687200 832927316 /nfs/dbraw/zinc/92/73/16/832927316.db2.gz ZQZXSFRUZNMYRY-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000820086079 833532611 /nfs/dbraw/zinc/53/26/11/833532611.db2.gz QLYXXPNWKXLSQU-FVQHAEBGSA-N 2 0 299.418 1.351 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)Nc1cc(C)c2nccn2c1 ZINC000818050269 833790831 /nfs/dbraw/zinc/79/08/31/833790831.db2.gz GKEBZFGJCCQVQB-UHFFFAOYSA-N 2 0 258.325 1.699 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1C ZINC001027972257 833860565 /nfs/dbraw/zinc/86/05/65/833860565.db2.gz SQZVNWDGCMVDQP-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001001001794 834021252 /nfs/dbraw/zinc/02/12/52/834021252.db2.gz LUPDSXOIDJJJSZ-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001044857842 834066339 /nfs/dbraw/zinc/06/63/39/834066339.db2.gz OHLGFYCYFHAHOV-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033837290 834088933 /nfs/dbraw/zinc/08/89/33/834088933.db2.gz GTBWNIVQEGUZRJ-RBSFLKMASA-N 2 0 279.428 1.435 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001052250617 834101929 /nfs/dbraw/zinc/10/19/29/834101929.db2.gz IDKKTKYZFNOZDR-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001023761567 834192586 /nfs/dbraw/zinc/19/25/86/834192586.db2.gz CRUOQPYVYPPGRJ-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001017640710 834356013 /nfs/dbraw/zinc/35/60/13/834356013.db2.gz YUGBNKPMFGXIDU-XHSDSOJGSA-N 2 0 293.455 1.824 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001003007549 834685186 /nfs/dbraw/zinc/68/51/86/834685186.db2.gz JZKJFOOVDGGMSL-OAHLLOKOSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999573467 834775768 /nfs/dbraw/zinc/77/57/68/834775768.db2.gz IYCYEMFHOBPKEP-HOTGVXAUSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001028181314 834841717 /nfs/dbraw/zinc/84/17/17/834841717.db2.gz RCHDYNLRDPPILI-HZPDHXFCSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC ZINC001024987344 834842622 /nfs/dbraw/zinc/84/26/22/834842622.db2.gz IUDXETUZQXLBCA-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[N@H+]1C[C@H](NC(=O)Cc2[nH]cnc2C)CC[C@H]1C ZINC001072026360 834879874 /nfs/dbraw/zinc/87/98/74/834879874.db2.gz HLNPGJMHACBKLJ-DGCLKSJQSA-N 2 0 276.384 1.416 20 30 CDEDRP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001024365759 834990366 /nfs/dbraw/zinc/99/03/66/834990366.db2.gz HHCKXELYVJWKLI-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996609988 835164718 /nfs/dbraw/zinc/16/47/18/835164718.db2.gz IVMAVCOGSRAEGI-STQMWFEESA-N 2 0 299.846 1.517 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cnccc1N(C)C ZINC001028266640 835236392 /nfs/dbraw/zinc/23/63/92/835236392.db2.gz ZDYJYKVUWQCUNK-ZDUSSCGKSA-N 2 0 288.395 1.528 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000999505281 835270855 /nfs/dbraw/zinc/27/08/55/835270855.db2.gz JGOZTKZDEZZTFZ-UYSNPLJNSA-N 2 0 291.439 1.462 20 30 CDEDRP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049729103 835288961 /nfs/dbraw/zinc/28/89/61/835288961.db2.gz URKYDJGFTGGNTK-ARFHVFGLSA-N 2 0 291.439 1.415 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001038626527 835436160 /nfs/dbraw/zinc/43/61/60/835436160.db2.gz VBQVBJORNPTCIL-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001018871205 835530492 /nfs/dbraw/zinc/53/04/92/835530492.db2.gz ZPONXWAREZWHBN-MELADBBJSA-N 2 0 299.846 1.660 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052678577 835614162 /nfs/dbraw/zinc/61/41/62/835614162.db2.gz YJLASYKMUHCQRD-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001007789422 835740445 /nfs/dbraw/zinc/74/04/45/835740445.db2.gz VBRPSGUSDOBVJK-OAHLLOKOSA-N 2 0 289.423 1.219 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC001121914581 913230967 /nfs/dbraw/zinc/23/09/67/913230967.db2.gz XKFHVVMJCWNSOC-ZNMIVQPWSA-N 2 0 281.444 1.907 20 30 CDEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001175108540 913446748 /nfs/dbraw/zinc/44/67/48/913446748.db2.gz SIGQGNBBYVSHLE-JKSUJKDBSA-N 2 0 295.471 1.861 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106322656 913857817 /nfs/dbraw/zinc/85/78/17/913857817.db2.gz POVRUYUMSNOYEF-OAGGEKHMSA-N 2 0 291.439 1.178 20 30 CDEDRP C[NH+](C)CCN1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC001208921004 894394690 /nfs/dbraw/zinc/39/46/90/894394690.db2.gz WAQFJIFWQWFFRI-UHFFFAOYSA-N 2 0 286.423 1.280 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206928571 894943291 /nfs/dbraw/zinc/94/32/91/894943291.db2.gz AKFGFEZNSMRPMS-HNNXBMFYSA-N 2 0 279.428 1.342 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176753923 914258098 /nfs/dbraw/zinc/25/80/98/914258098.db2.gz OMCVUGFIXYESNI-AWEZNQCLSA-N 2 0 267.417 1.224 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001019823425 899212874 /nfs/dbraw/zinc/21/28/74/899212874.db2.gz INSCFPSOECOCLU-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCCSC ZINC000187050461 899819432 /nfs/dbraw/zinc/81/94/32/899819432.db2.gz TUOBWUFRQIVSSX-CYBMUJFWSA-N 2 0 286.489 1.908 20 30 CDEDRP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001267937326 900009022 /nfs/dbraw/zinc/00/90/22/900009022.db2.gz UVMYEUMQWANSIQ-QGZVFWFLSA-N 2 0 299.418 1.510 20 30 CDEDRP N#Cc1c2c(cnc1NC(=[NH2+])NCCCC[NH3+])CCC2 ZINC001167880993 901635674 /nfs/dbraw/zinc/63/56/74/901635674.db2.gz UYJGGUWPYBEONH-UHFFFAOYSA-N 2 0 272.356 1.117 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001088201302 906437805 /nfs/dbraw/zinc/43/78/05/906437805.db2.gz VLEBLNDTEROLCY-CABCVRRESA-N 2 0 277.412 1.049 20 30 CDEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001088374963 907027447 /nfs/dbraw/zinc/02/74/47/907027447.db2.gz SWEOHGCNYHDTCG-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001229655893 908237303 /nfs/dbraw/zinc/23/73/03/908237303.db2.gz SLMLQSDWABWGKP-MRXNPFEDSA-N 2 0 293.455 1.567 20 30 CDEDRP C[C@H](C[NH3+])C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172982440 912111068 /nfs/dbraw/zinc/11/10/68/912111068.db2.gz ZFLUWLNITQXJLA-AGIUHOORSA-N 2 0 296.415 1.462 20 30 CDEDRP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001089619150 914998824 /nfs/dbraw/zinc/99/88/24/914998824.db2.gz KYBBQPYCMIZGBB-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106982236 917620909 /nfs/dbraw/zinc/62/09/09/917620909.db2.gz FVRUCVOGFZDBLQ-KWCYVHTRSA-N 2 0 299.846 1.375 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001054790101 936472159 /nfs/dbraw/zinc/47/21/59/936472159.db2.gz IIQXEZFLIIIFFU-GJZGRUSLSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107450544 918389833 /nfs/dbraw/zinc/38/98/33/918389833.db2.gz LAXFGTUNHJWGOA-BFYDXBDKSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183410665 918483788 /nfs/dbraw/zinc/48/37/88/918483788.db2.gz PGRFIOBPYJDXJA-BFYDXBDKSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001183581859 918554027 /nfs/dbraw/zinc/55/40/27/918554027.db2.gz MYXPLZQOGUMRLI-RRFJBIMHSA-N 2 0 281.444 1.872 20 30 CDEDRP N#Cc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001205208591 918894533 /nfs/dbraw/zinc/89/45/33/918894533.db2.gz DNLZHSWDINQJIC-HNNXBMFYSA-N 2 0 259.353 1.234 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001184578198 919197217 /nfs/dbraw/zinc/19/72/17/919197217.db2.gz SGHQJDJJXTYNLJ-LSDHHAIUSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001185062236 919385976 /nfs/dbraw/zinc/38/59/76/919385976.db2.gz RJDMVLQXRUJOCH-ZBFHGGJFSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001185683723 919702648 /nfs/dbraw/zinc/70/26/48/919702648.db2.gz ZHJCVKXUYQVQGH-CVEARBPZSA-N 2 0 293.455 1.733 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001185731596 919733573 /nfs/dbraw/zinc/73/35/73/919733573.db2.gz VGGSVKFQJQUTMW-CQSZACIVSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001185750961 919752998 /nfs/dbraw/zinc/75/29/98/919752998.db2.gz NDJYDHXZVXVQEO-CVEARBPZSA-N 2 0 295.471 1.977 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190363551 921980279 /nfs/dbraw/zinc/98/02/79/921980279.db2.gz QKFWHRPZXKUPHS-LSDHHAIUSA-N 2 0 279.428 1.435 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190744603 922170378 /nfs/dbraw/zinc/17/03/78/922170378.db2.gz SKGSTYISENETNQ-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191967916 922858076 /nfs/dbraw/zinc/85/80/76/922858076.db2.gz NVWHGYXPQVNRIQ-JYJNAYRXSA-N 2 0 291.439 1.273 20 30 CDEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2 ZINC001035731783 923039034 /nfs/dbraw/zinc/03/90/34/923039034.db2.gz MFSNYMXJRACTJH-OAHLLOKOSA-N 2 0 291.439 1.274 20 30 CDEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2ccnc2)C1 ZINC001192579347 923154554 /nfs/dbraw/zinc/15/45/54/923154554.db2.gz ZGPLWSCFTCHPQG-GJZGRUSLSA-N 2 0 288.395 1.390 20 30 CDEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194245935 924133394 /nfs/dbraw/zinc/13/33/94/924133394.db2.gz GPVKLYFEAVBQDO-MRXNPFEDSA-N 2 0 291.439 1.418 20 30 CDEDRP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001079687600 924402894 /nfs/dbraw/zinc/40/28/94/924402894.db2.gz SUXVSBCLELRBOJ-RBSFLKMASA-N 2 0 279.428 1.482 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100872973 936942209 /nfs/dbraw/zinc/94/22/09/936942209.db2.gz PZGJGYZSLQUMTC-NFOMZHRRSA-N 2 0 279.428 1.389 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1C ZINC001082751376 924990740 /nfs/dbraw/zinc/99/07/40/924990740.db2.gz YIQNPIDLUOGBKD-AAVRWANBSA-N 2 0 288.395 1.146 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001082782710 924996975 /nfs/dbraw/zinc/99/69/75/924996975.db2.gz MGZFAPMFDMESTN-BZUAXINKSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001084454914 925255233 /nfs/dbraw/zinc/25/52/33/925255233.db2.gz BSZKEBQAEKSKSM-OWCLPIDISA-N 2 0 291.439 1.580 20 30 CDEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051814 937039160 /nfs/dbraw/zinc/03/91/60/937039160.db2.gz NZPJLTNINIAIKT-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102378467 937055315 /nfs/dbraw/zinc/05/53/15/937055315.db2.gz XZUMEEWNJSLCGN-KFWWJZLASA-N 2 0 281.444 1.587 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001085629599 926227624 /nfs/dbraw/zinc/22/76/24/926227624.db2.gz YBSHYPLWUNJAPI-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C#Cc1cccnc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201651082 926373378 /nfs/dbraw/zinc/37/33/78/926373378.db2.gz LPJFVVBEXYBDND-UHFFFAOYSA-N 2 0 293.374 1.953 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001086084771 926679605 /nfs/dbraw/zinc/67/96/05/926679605.db2.gz FXBUIVHSQPMDFH-ZNMIVQPWSA-N 2 0 279.428 1.530 20 30 CDEDRP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001103444884 937141970 /nfs/dbraw/zinc/14/19/70/937141970.db2.gz NNVYADLBMOOMCQ-OAGGEKHMSA-N 2 0 293.455 1.424 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086497268 927216823 /nfs/dbraw/zinc/21/68/23/927216823.db2.gz FDBWZAUMBBHJMC-JYJNAYRXSA-N 2 0 291.439 1.367 20 30 CDEDRP N#CCc1cc(NCC23CC[NH+](CC2)CC3)cc[nH+]1 ZINC001169801329 928423408 /nfs/dbraw/zinc/42/34/08/928423408.db2.gz BZXYYNYTYLBQRY-UHFFFAOYSA-N 2 0 256.353 1.467 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001111875082 937248053 /nfs/dbraw/zinc/24/80/53/937248053.db2.gz QGMXBQMYEZIKAX-DZKIICNBSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109405987 928924060 /nfs/dbraw/zinc/92/40/60/928924060.db2.gz JSARKHPCWKRYSP-FXUDXRNXSA-N 2 0 291.439 1.624 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@H](C)CC)CC1 ZINC001152324391 937353633 /nfs/dbraw/zinc/35/36/33/937353633.db2.gz TXHLPGCBDWGCBL-CQSZACIVSA-N 2 0 279.428 1.084 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134999355 929996812 /nfs/dbraw/zinc/99/68/12/929996812.db2.gz PMMNZJYWPHOJFO-UONOGXRCSA-N 2 0 298.390 1.844 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135314923 930150515 /nfs/dbraw/zinc/15/05/15/930150515.db2.gz IYKDKRFSGRXRSQ-KBPBESRZSA-N 2 0 269.433 1.777 20 30 CDEDRP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135375848 930177181 /nfs/dbraw/zinc/17/71/81/930177181.db2.gz OMVXQEZQDWMEPS-ZIAGYGMSSA-N 2 0 269.433 1.777 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)C[N@@H+](C)CCCCCC ZINC001135437055 930204481 /nfs/dbraw/zinc/20/44/81/930204481.db2.gz LKLZGHASNDDLFO-UHFFFAOYSA-N 2 0 269.433 1.780 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135923334 930542522 /nfs/dbraw/zinc/54/25/22/930542522.db2.gz JQGVEBOOMLAJEK-UONOGXRCSA-N 2 0 285.432 1.014 20 30 CDEDRP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135955670 930564854 /nfs/dbraw/zinc/56/48/54/930564854.db2.gz LOZPVYUIOQALRP-HUUCEWRRSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153823983 937474361 /nfs/dbraw/zinc/47/43/61/937474361.db2.gz GTTVNVOPTLKEMM-HIFRSBDPSA-N 2 0 279.428 1.177 20 30 CDEDRP C#CCC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154069625 937499780 /nfs/dbraw/zinc/49/97/80/937499780.db2.gz JIVLCTCYROWZAE-CQSZACIVSA-N 2 0 281.444 1.567 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171174748 931800539 /nfs/dbraw/zinc/80/05/39/931800539.db2.gz PELWPDBHTMYVAI-HUUCEWRRSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001091267465 932068277 /nfs/dbraw/zinc/06/82/77/932068277.db2.gz MGAGIIACOPBOAV-UYSNPLJNSA-N 2 0 293.455 1.920 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146337540 932236635 /nfs/dbraw/zinc/23/66/35/932236635.db2.gz CYGKARBGYNXOTM-OLZOCXBDSA-N 2 0 287.835 1.708 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146613490 932271575 /nfs/dbraw/zinc/27/15/75/932271575.db2.gz TULREJCQXKBWAA-JKSUJKDBSA-N 2 0 293.455 1.759 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCn1ccnc1 ZINC001146707061 932285741 /nfs/dbraw/zinc/28/57/41/932285741.db2.gz NPDVCXLQNTZCKW-KBPBESRZSA-N 2 0 276.384 1.169 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171295192 932404294 /nfs/dbraw/zinc/40/42/94/932404294.db2.gz ZDJMWZQXOBRPIW-UHFFFAOYSA-N 2 0 265.401 1.144 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147884197 932628650 /nfs/dbraw/zinc/62/86/50/932628650.db2.gz BKIHZZBFOWHFLZ-KGLIPLIRSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147976827 932636259 /nfs/dbraw/zinc/63/62/59/932636259.db2.gz BHFGTIZFIISTEH-CYBMUJFWSA-N 2 0 265.401 1.143 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc2c[nH+]cn21 ZINC001155800129 937675455 /nfs/dbraw/zinc/67/54/55/937675455.db2.gz ROQKFYBMURCJKK-ZDUSSCGKSA-N 2 0 284.363 1.715 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155812357 937676547 /nfs/dbraw/zinc/67/65/47/937676547.db2.gz LUCZBPBTTGXANN-CYBMUJFWSA-N 2 0 253.390 1.143 20 30 CDEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC ZINC001114829452 935001966 /nfs/dbraw/zinc/00/19/66/935001966.db2.gz XGDWRLVVYZWNDK-XUWVNRHRSA-N 2 0 291.439 1.177 20 30 CDEDRP C=C[C@@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001253610805 935358356 /nfs/dbraw/zinc/35/83/56/935358356.db2.gz IWGIVDDROHYHBA-GDBMZVCRSA-N 2 0 264.413 1.944 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC001121900868 937888599 /nfs/dbraw/zinc/88/85/99/937888599.db2.gz KWOFVTRKZHPCJM-ZDUSSCGKSA-N 2 0 253.390 1.272 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC001121922530 937890758 /nfs/dbraw/zinc/89/07/58/937890758.db2.gz LEQXOBBZVLUXOD-CABCVRRESA-N 2 0 281.444 1.860 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001121971353 937895407 /nfs/dbraw/zinc/89/54/07/937895407.db2.gz ABQMRBFWLLVGRN-KKUMJFAQSA-N 2 0 279.428 1.613 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158195784 938593301 /nfs/dbraw/zinc/59/33/01/938593301.db2.gz DTETYHKKLNSONU-CYBMUJFWSA-N 2 0 285.819 1.177 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001159154830 938706101 /nfs/dbraw/zinc/70/61/01/938706101.db2.gz CJOVKSFRZUIQRN-LBPRGKRZSA-N 2 0 293.814 1.515 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160267552 938778189 /nfs/dbraw/zinc/77/81/89/938778189.db2.gz NFAUOXZCZLPMMD-ZDUSSCGKSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001160473806 938789664 /nfs/dbraw/zinc/78/96/64/938789664.db2.gz PXFDPYRWMVOGGN-OAHLLOKOSA-N 2 0 279.428 1.651 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160862866 938834038 /nfs/dbraw/zinc/83/40/38/938834038.db2.gz YSASDPOHSOMBAG-KGLIPLIRSA-N 2 0 265.401 1.285 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)c1occc1C[NH+](C)C ZINC001165246455 939532478 /nfs/dbraw/zinc/53/24/78/939532478.db2.gz OUSFODXBLQKHER-UHFFFAOYSA-N 2 0 299.802 1.803 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001166541891 939612206 /nfs/dbraw/zinc/61/22/06/939612206.db2.gz SUDICKJGNAAFJV-UHFFFAOYSA-N 2 0 291.439 1.370 20 30 CDEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576979 939694348 /nfs/dbraw/zinc/69/43/48/939694348.db2.gz MBSJSZJFSGTQMC-LSDHHAIUSA-N 2 0 291.439 1.369 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001205516103 939895121 /nfs/dbraw/zinc/89/51/21/939895121.db2.gz OMLYQPYYGHWDKN-OAHLLOKOSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCc1cccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1O ZINC001205673584 939915126 /nfs/dbraw/zinc/91/51/26/939915126.db2.gz RUKSFXZYRRKJCQ-KRWDZBQOSA-N 2 0 290.407 1.796 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001206074397 939974899 /nfs/dbraw/zinc/97/48/99/939974899.db2.gz OFQAIVLGHCTNDE-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C[NH+]1CCC(CC[N@@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001207481374 940205289 /nfs/dbraw/zinc/20/52/89/940205289.db2.gz DMRMVHFVIXFGHH-AWEZNQCLSA-N 2 0 280.437 1.992 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001208261761 940313708 /nfs/dbraw/zinc/31/37/08/940313708.db2.gz ROZJQLCWLMOWAD-LSDHHAIUSA-N 2 0 299.434 1.823 20 30 CDEDRP C[N@H+]1C[C@@H]2C[NH+](CCCc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001208863167 940398466 /nfs/dbraw/zinc/39/84/66/940398466.db2.gz ZMWLGRPTLMMNLH-CALCHBBNSA-N 2 0 269.392 1.984 20 30 CDEDRP C=CCN(CCN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)C(=O)OCC ZINC001209022801 940425993 /nfs/dbraw/zinc/42/59/93/940425993.db2.gz UMJHARIBPLIWQD-OKILXGFUSA-N 2 0 281.400 1.124 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001210285272 940679154 /nfs/dbraw/zinc/67/91/54/940679154.db2.gz ZYEZCRVOTDBFNG-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP CCC[NH+]1CCC(NC(=[NH2+])c2ccc(F)cn2)CC1 ZINC001258766391 945404210 /nfs/dbraw/zinc/40/42/10/945404210.db2.gz TVBZYTBKMZKRKS-UHFFFAOYSA-N 2 0 264.348 1.800 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214754831 940837988 /nfs/dbraw/zinc/83/79/88/940837988.db2.gz IJWWDDPGJDPICE-RBSFLKMASA-N 2 0 297.418 1.126 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001214999963 940851383 /nfs/dbraw/zinc/85/13/83/940851383.db2.gz SPFQSLMHAUZIQA-ZIAGYGMSSA-N 2 0 281.444 1.729 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001215519122 940892192 /nfs/dbraw/zinc/89/21/92/940892192.db2.gz YKUHLNUVECVMAH-RBSFLKMASA-N 2 0 279.428 1.177 20 30 CDEDRP C[C@@H]([NH3+])C1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000402250965 940892478 /nfs/dbraw/zinc/89/24/78/940892478.db2.gz IUDMLWDTPQIIOF-MLGOLLRUSA-N 2 0 273.380 1.651 20 30 CDEDRP C=C1CC[NH2+]C[C@H]1Oc1cccc([C@@H]([NH3+])CC(=O)OC)c1 ZINC001218209016 941044006 /nfs/dbraw/zinc/04/40/06/941044006.db2.gz SUBCTMABPMVYIS-LSDHHAIUSA-N 2 0 290.363 1.546 20 30 CDEDRP N#Cc1ccc(NC(=O)[C@@H]([NH3+])CCC[NH3+])c2cccnc12 ZINC001219466194 941349174 /nfs/dbraw/zinc/34/91/74/941349174.db2.gz YRELUXMHLDFPNJ-LBPRGKRZSA-N 2 0 283.335 1.111 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001221972675 941556607 /nfs/dbraw/zinc/55/66/07/941556607.db2.gz DJVXGBQARVUYFD-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001223847057 941702931 /nfs/dbraw/zinc/70/29/31/941702931.db2.gz XHVHONZTFALVMX-CVEARBPZSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001225167832 941827760 /nfs/dbraw/zinc/82/77/60/941827760.db2.gz CPZDWQJVXFKLLB-MRXNPFEDSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)Cc2c[nH]cn2)CC1 ZINC001229355650 942457889 /nfs/dbraw/zinc/45/78/89/942457889.db2.gz HUJPBMSJPFREET-CYBMUJFWSA-N 2 0 290.411 1.888 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)CC[N@@H+](C)CC ZINC001316607005 942502896 /nfs/dbraw/zinc/50/28/96/942502896.db2.gz MTFQCFKICKPTMT-AWEZNQCLSA-N 2 0 267.417 1.437 20 30 CDEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001284722739 943248367 /nfs/dbraw/zinc/24/83/67/943248367.db2.gz BZPPEVUSINRGSZ-GOEBONIOSA-N 2 0 293.455 1.423 20 30 CDEDRP C[NH+](C)CCN1CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235511956 944181145 /nfs/dbraw/zinc/18/11/45/944181145.db2.gz NQMJFCMFWBMREG-UHFFFAOYSA-N 2 0 286.423 1.432 20 30 CDEDRP N#Cc1cncc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236322426 944470705 /nfs/dbraw/zinc/47/07/05/944470705.db2.gz WSSXDTQJBSJURF-GASCZTMLSA-N 2 0 256.353 1.385 20 30 CDEDRP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001266149488 944714994 /nfs/dbraw/zinc/71/49/94/944714994.db2.gz XJVAVUZCEJSFIB-UONOGXRCSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001258719331 945390467 /nfs/dbraw/zinc/39/04/67/945390467.db2.gz BATSZBCFYAIFAH-HNNXBMFYSA-N 2 0 253.434 1.957 20 30 CDEDRP N#Cc1ccccc1-c1cn(CCCC[NH2+]CCC[NH3+])nn1 ZINC001254162414 947314466 /nfs/dbraw/zinc/31/44/66/947314466.db2.gz AQMGFTWIHNJPDG-UHFFFAOYSA-N 2 0 298.394 1.535 20 30 CDEDRP C=CCOC[C@@H](O)C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001246036702 947912380 /nfs/dbraw/zinc/91/23/80/947912380.db2.gz ZCUCKWSEGNFAAA-HOTGVXAUSA-N 2 0 282.428 1.404 20 30 CDEDRP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001246150537 947991404 /nfs/dbraw/zinc/99/14/04/947991404.db2.gz WGFQSYSOEYGQHD-RDBSUJKOSA-N 2 0 262.401 1.142 20 30 CDEDRP C[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1cccc(C#N)c1 ZINC001246198103 948025228 /nfs/dbraw/zinc/02/52/28/948025228.db2.gz CPFGXYNVHYRTIN-SWLSCSKDSA-N 2 0 270.380 1.303 20 30 CDEDRP C=CC[N@H+](Cc1ccccc1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246839172 948470263 /nfs/dbraw/zinc/47/02/63/948470263.db2.gz HSXGNGDZCLKRJV-MRXNPFEDSA-N 2 0 271.408 1.769 20 30 CDEDRP C=C[C@@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001253606413 951991586 /nfs/dbraw/zinc/99/15/86/951991586.db2.gz HGDWCCYGEBQZEO-OAHLLOKOSA-N 2 0 252.402 1.920 20 30 CDEDRP C[C@@H]1CC[NH2+]C[C@@H]1NCc1cccc(OCC#N)c1 ZINC001325743067 954053302 /nfs/dbraw/zinc/05/33/02/954053302.db2.gz JDUDAKDXBSYTEJ-DOMZBBRYSA-N 2 0 259.353 1.677 20 30 CDEDRP C=C(Cl)CN(C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001424273843 957181583 /nfs/dbraw/zinc/18/15/83/957181583.db2.gz JAWWENWXDGXKSL-CYBMUJFWSA-N 2 0 287.835 1.613 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC001333711520 958533269 /nfs/dbraw/zinc/53/32/69/958533269.db2.gz RIRPRMFKUHMRSR-CQSZACIVSA-N 2 0 294.443 1.278 20 30 CDEDRP C#CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1CCC ZINC001324375490 961344221 /nfs/dbraw/zinc/34/42/21/961344221.db2.gz YDZGBIOPYLZPLE-OAHLLOKOSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001340042193 962707563 /nfs/dbraw/zinc/70/75/63/962707563.db2.gz UYLRIHDZJILXHQ-IHRRRGAJSA-N 2 0 265.401 1.413 20 30 CDEDRP CC[NH+](CC)CC[C@H](C)NC(=O)[C@H]([NH3+])CCCC#N ZINC001342631105 963779950 /nfs/dbraw/zinc/77/99/50/963779950.db2.gz NBRFYNRHUQVYDI-QWHCGFSZSA-N 2 0 268.405 1.244 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001100378368 968167820 /nfs/dbraw/zinc/16/78/20/968167820.db2.gz XBDCDDCEVRDCTH-JXQTWKCFSA-N 2 0 285.407 1.337 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001100562242 968709472 /nfs/dbraw/zinc/70/94/72/968709472.db2.gz FYEGDGSNOFLTIF-UHFFFAOYSA-N 2 0 279.428 1.531 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)Cc2c[nH]cn2)C1 ZINC001100706538 968989107 /nfs/dbraw/zinc/98/91/07/968989107.db2.gz MBFPPFOONJKWHI-UHFFFAOYSA-N 2 0 262.357 1.013 20 30 CDEDRP C#CC[NH2+]CC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC001357428721 969584892 /nfs/dbraw/zinc/58/48/92/969584892.db2.gz QTCCMMBSHMGIML-UHFFFAOYSA-N 2 0 277.412 1.123 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001521464251 970299525 /nfs/dbraw/zinc/29/95/25/970299525.db2.gz RIXFUCKLTBLTPZ-HUUCEWRRSA-N 2 0 279.428 1.757 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N[C@]1(C)CC[NH2+]C1 ZINC001522100930 970399732 /nfs/dbraw/zinc/39/97/32/970399732.db2.gz HORZMZSUALMKMS-UKRRQHHQSA-N 2 0 269.433 1.933 20 30 CDEDRP C[NH+](C)CCCC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001133040315 1163540893 /nfs/dbraw/zinc/54/08/93/1163540893.db2.gz LEAQVHGKFSOYTD-UHFFFAOYSA-N 2 0 294.424 1.167 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001133181875 1163598181 /nfs/dbraw/zinc/59/81/81/1163598181.db2.gz KEXKYOXAUIAEGK-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C[C@@H](CCC#N)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000589820285 342514396 /nfs/dbraw/zinc/51/43/96/342514396.db2.gz KKPJBMDHRBBDOV-INIZCTEOSA-N 2 0 278.444 1.640 20 30 CDEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCN1CC[NH2+]CC1 ZINC000591577109 342637642 /nfs/dbraw/zinc/63/76/42/342637642.db2.gz HFMBYQQCLBLWIS-KRWDZBQOSA-N 2 0 284.407 1.430 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])[C@@H](C)CC)CC1 ZINC000237057443 342281054 /nfs/dbraw/zinc/28/10/54/342281054.db2.gz PXSYTPUNOQGUJF-WCQYABFASA-N 2 0 253.390 1.126 20 30 CDEDRP CC[NH+]1CCN([C@H]2CCN(CC3(C#N)CCC3)C2)CC1 ZINC000595311377 343032560 /nfs/dbraw/zinc/03/25/60/343032560.db2.gz GGDIKRIWYJLULH-HNNXBMFYSA-N 2 0 276.428 1.392 20 30 CDEDRP C#CC[N@H+](C)CCCN[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000294991476 199288391 /nfs/dbraw/zinc/28/83/91/199288391.db2.gz LIWJOGDBUHSFOS-LJQANCHMSA-N 2 0 299.462 1.848 20 30 CDEDRP CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000598714696 343880963 /nfs/dbraw/zinc/88/09/63/343880963.db2.gz IPQQRVZEPIXYPJ-MCIONIFRSA-N 2 0 265.401 1.504 20 30 CDEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000598729767 343888072 /nfs/dbraw/zinc/88/80/72/343888072.db2.gz MXFWQQISGZULSY-LSDHHAIUSA-N 2 0 297.443 1.114 20 30 CDEDRP CN(CCC[NH2+]Cc1cccc(C#N)c1)CC[NH+](C)C ZINC000598918733 343926418 /nfs/dbraw/zinc/92/64/18/343926418.db2.gz XZTKDGZSLICWPU-UHFFFAOYSA-N 2 0 274.412 1.531 20 30 CDEDRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@H](C)CCC#N)CC1 ZINC000602515916 344451750 /nfs/dbraw/zinc/45/17/50/344451750.db2.gz TUTAZTZSRROHEX-CABCVRRESA-N 2 0 266.433 1.542 20 30 CDEDRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602509311 344458601 /nfs/dbraw/zinc/45/86/01/344458601.db2.gz DUVDTYGLEGTDMO-INIZCTEOSA-N 2 0 280.460 1.934 20 30 CDEDRP CCCNC(=[NH2+])NCc1ccccc1OCC[NH+](C)C ZINC000264105457 362968426 /nfs/dbraw/zinc/96/84/26/362968426.db2.gz PGZQVGORLWCWHP-UHFFFAOYSA-N 2 0 278.400 1.441 20 30 CDEDRP CNC(NCc1ccc(OCCC[NH+](C)C)cc1)=[NH+]C ZINC000264236498 363004921 /nfs/dbraw/zinc/00/49/21/363004921.db2.gz DHYFJYISDXELOE-UHFFFAOYSA-N 2 0 278.400 1.312 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)CC[C@H]2C)CC1 ZINC000336387973 363489239 /nfs/dbraw/zinc/48/92/39/363489239.db2.gz MHDVTNBHNNEORL-CQSZACIVSA-N 2 0 294.443 1.372 20 30 CDEDRP CN(CCC#N)C(=O)CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000092797669 360286121 /nfs/dbraw/zinc/28/61/21/360286121.db2.gz ZONLCKAJUAWZJE-AWEZNQCLSA-N 2 0 280.416 1.022 20 30 CDEDRP C[C@H]1C[NH+](CCCNC(=[NH2+])Nc2ccccn2)C[C@H](C)O1 ZINC000170909990 365160941 /nfs/dbraw/zinc/16/09/41/365160941.db2.gz CMBVDLAQHDGAJE-STQMWFEESA-N 2 0 291.399 1.308 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)CC1 ZINC000153974544 370893527 /nfs/dbraw/zinc/89/35/27/370893527.db2.gz ALIZWWASKXECLX-INIZCTEOSA-N 2 0 291.439 1.130 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001661342209 1172371371 /nfs/dbraw/zinc/37/13/71/1172371371.db2.gz DENOWGWPMWISKB-KGLIPLIRSA-N 2 0 267.417 1.483 20 30 CDEDRP CC[C@H](C(=O)NC1(C#N)CC[NH+](C)CC1)[NH+](CC)CC ZINC000545188529 369157235 /nfs/dbraw/zinc/15/72/35/369157235.db2.gz KUSASRGBDLIBLX-CYBMUJFWSA-N 2 0 280.416 1.211 20 30 CDEDRP Cn1cncc1CCC(=O)NCC[N@@H+]1CCCOCC1 ZINC000328856397 375988084 /nfs/dbraw/zinc/98/80/84/375988084.db2.gz UFVIUJXDEMERIR-UHFFFAOYSA-N 2 0 280.372 1.032 20 30 CDEDRP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420341934 376333187 /nfs/dbraw/zinc/33/31/87/376333187.db2.gz OXLWRCNLOBYSKM-HZPDHXFCSA-N 2 0 291.439 1.509 20 30 CDEDRP C#Cc1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000289916510 378354085 /nfs/dbraw/zinc/35/40/85/378354085.db2.gz YFCWQBUTWUMMHL-MRXNPFEDSA-N 2 0 285.435 1.784 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)C(C)C ZINC000645416758 378360380 /nfs/dbraw/zinc/36/03/80/378360380.db2.gz XNQJTGVPDHUROK-CABCVRRESA-N 2 0 293.455 1.799 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)C(C)C ZINC000645416760 378360636 /nfs/dbraw/zinc/36/06/36/378360636.db2.gz XNQJTGVPDHUROK-HUUCEWRRSA-N 2 0 293.455 1.799 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C#N)c1 ZINC000104165472 390485877 /nfs/dbraw/zinc/48/58/77/390485877.db2.gz OUUVOQLSXWBXDG-HNNXBMFYSA-N 2 0 285.395 1.447 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N(CCC)C1CC[NH2+]CC1 ZINC000491657260 391187166 /nfs/dbraw/zinc/18/71/66/391187166.db2.gz JNVMNFSYFYKPDC-UHFFFAOYSA-N 2 0 294.443 1.115 20 30 CDEDRP C=CCNC(=[NH2+])NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000267455416 391196578 /nfs/dbraw/zinc/19/65/78/391196578.db2.gz SPWVNZJQTROWHN-UHFFFAOYSA-N 2 0 264.348 1.478 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H]([NH3+])C1)C(C)C ZINC000417061323 391341791 /nfs/dbraw/zinc/34/17/91/391341791.db2.gz KYXOBTVOOLRTKI-GJZGRUSLSA-N 2 0 294.443 1.428 20 30 CDEDRP C=CCN1CC[C@H]([N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C1=O ZINC000647977625 391375335 /nfs/dbraw/zinc/37/53/35/391375335.db2.gz FITPHFJOZJNAMJ-JYJNAYRXSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647797980 391660373 /nfs/dbraw/zinc/66/03/73/391660373.db2.gz JBTFASUOBQJJHW-KHMAMNHCSA-N 2 0 250.386 1.698 20 30 CDEDRP C=C(C)CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000351856078 391762914 /nfs/dbraw/zinc/76/29/14/391762914.db2.gz JXHCOWQDSDHWDD-UHFFFAOYSA-N 2 0 252.402 1.997 20 30 CDEDRP CN1CC[NH+]=C1NCc1ccccc1OCC[NH+](C)C ZINC000262637313 391804807 /nfs/dbraw/zinc/80/48/07/391804807.db2.gz HASPBIUWPRTRHT-UHFFFAOYSA-N 2 0 276.384 1.018 20 30 CDEDRP C#CCNC(=O)[C@@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000490594033 261165402 /nfs/dbraw/zinc/16/54/02/261165402.db2.gz KLNNVNGFXZVNES-CQSZACIVSA-N 2 0 279.428 1.178 20 30 CDEDRP CC#CCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000364044931 262120999 /nfs/dbraw/zinc/12/09/99/262120999.db2.gz KBHKJMKHBCUGPL-UHFFFAOYSA-N 2 0 277.456 1.890 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000117878985 262359329 /nfs/dbraw/zinc/35/93/29/262359329.db2.gz RSCPLIJKAQOFPM-UHFFFAOYSA-N 2 0 265.401 1.193 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655446886 423863181 /nfs/dbraw/zinc/86/31/81/423863181.db2.gz MBWNJDOFDMBJHN-GDBMZVCRSA-N 2 0 277.412 1.143 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000367398746 267044379 /nfs/dbraw/zinc/04/43/79/267044379.db2.gz ATRVZQNTPSPIBA-TZMCWYRMSA-N 2 0 265.401 1.141 20 30 CDEDRP CC(C)[C@@H](C[NH2+]C[C@H](C#N)CCC#N)N1CC[NH+](C)CC1 ZINC000567691150 327626118 /nfs/dbraw/zinc/62/61/18/327626118.db2.gz QFZOQRUQBDGILX-JKSUJKDBSA-N 2 0 291.443 1.292 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H](C)[NH2+]C)C(C)C ZINC000582132575 327802995 /nfs/dbraw/zinc/80/29/95/327802995.db2.gz QQZOBGIEXAKKAY-KBPBESRZSA-N 2 0 267.417 1.409 20 30 CDEDRP C=C(C)CN1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000563422866 328064191 /nfs/dbraw/zinc/06/41/91/328064191.db2.gz HHXWQSSKRILGJF-UKRRQHHQSA-N 2 0 251.418 1.886 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000171735061 329079758 /nfs/dbraw/zinc/07/97/58/329079758.db2.gz DDOKFOARFFQTOE-UHFFFAOYSA-N 2 0 294.443 1.278 20 30 CDEDRP C[NH+]=C(NCC(C)(C)[NH+](C)C)N1CC[C@]2(CCOC2)C1 ZINC000261986578 329994528 /nfs/dbraw/zinc/99/45/28/329994528.db2.gz QGYGJCUMGAGDCR-HNNXBMFYSA-N 2 0 282.432 1.014 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(C)CCCS1 ZINC000262352772 330007695 /nfs/dbraw/zinc/00/76/95/330007695.db2.gz FKFAQILKMHVKPZ-TZMCWYRMSA-N 2 0 284.473 1.661 20 30 CDEDRP C#CCNC(NCC1([NH+](C)C)CCCCC1)=[NH+]C ZINC000262628943 330023352 /nfs/dbraw/zinc/02/33/52/330023352.db2.gz UTEMNSXLQPGQDY-UHFFFAOYSA-N 2 0 250.390 1.049 20 30 CDEDRP CC(C)C[N@@H+]1CCC[C@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000262655378 330024728 /nfs/dbraw/zinc/02/47/28/330024728.db2.gz LLSRVYCCNQALBI-CHWSQXEVSA-N 2 0 252.406 1.292 20 30 CDEDRP C[C@@H]1CCCN(C(=[NH2+])NCC2CC[NH+](C3CC3)CC2)C1 ZINC000262828341 330034538 /nfs/dbraw/zinc/03/45/38/330034538.db2.gz ZCFVMXKSLCPBQW-CYBMUJFWSA-N 2 0 278.444 1.907 20 30 CDEDRP [NH2+]=C(NC[C@H]1CCCO1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000262845614 330035198 /nfs/dbraw/zinc/03/51/98/330035198.db2.gz RRHZMMBHHNJYNC-UONOGXRCSA-N 2 0 280.416 1.087 20 30 CDEDRP C=C(C)C[NH+]1CCC(N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422981571 330162540 /nfs/dbraw/zinc/16/25/40/330162540.db2.gz SXTICLSPNQGTLI-HIFRSBDPSA-N 2 0 251.418 1.615 20 30 CDEDRP C=CCC[C@@H](CO)[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423151785 330172847 /nfs/dbraw/zinc/17/28/47/330172847.db2.gz DYLCTBUXVVYNQS-KGLIPLIRSA-N 2 0 298.427 1.225 20 30 CDEDRP C[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[N@@H+]1CCCC[C@H]1C ZINC000424139414 330279065 /nfs/dbraw/zinc/27/90/65/330279065.db2.gz VGAYCMRIDMBBQI-HZSPNIEDSA-N 2 0 280.416 1.387 20 30 CDEDRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]([NH3+])CCCC#N)C[C@H]1C ZINC000424142135 330284085 /nfs/dbraw/zinc/28/40/85/330284085.db2.gz HXMKIRYFIAICML-RDBSUJKOSA-N 2 0 280.416 1.339 20 30 CDEDRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424143368 330287036 /nfs/dbraw/zinc/28/70/36/330287036.db2.gz GCFKBHOYJPKJIW-HZSPNIEDSA-N 2 0 280.416 1.244 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000424161705 330307306 /nfs/dbraw/zinc/30/73/06/330307306.db2.gz VYOCOGAFSWATLJ-HNNXBMFYSA-N 2 0 292.427 1.484 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000490651663 332100051 /nfs/dbraw/zinc/10/00/51/332100051.db2.gz UXZGNCOJTBXXII-MRXNPFEDSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CCCCCCN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000193402718 333249341 /nfs/dbraw/zinc/24/93/41/333249341.db2.gz HITXBSMQJODROK-INIZCTEOSA-N 2 0 293.455 1.971 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001754459560 1159217828 /nfs/dbraw/zinc/21/78/28/1159217828.db2.gz ACQYTMHCMZNBIL-CQSZACIVSA-N 2 0 265.401 1.143 20 30 CDEDRP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001753788595 1159907067 /nfs/dbraw/zinc/90/70/67/1159907067.db2.gz PJWSWMSNCIHHHO-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000730842094 575015754 /nfs/dbraw/zinc/01/57/54/575015754.db2.gz CIHRGTYHQRAUDU-HOTGVXAUSA-N 2 0 289.423 1.171 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000763987736 576771392 /nfs/dbraw/zinc/77/13/92/576771392.db2.gz OGQNEIYUIFEKGQ-INIZCTEOSA-N 2 0 287.407 1.495 20 30 CDEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000963158275 612955760 /nfs/dbraw/zinc/95/57/60/612955760.db2.gz WPGWUNNQKCWIOM-NRXISQOPSA-N 2 0 277.412 1.073 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000948244243 613007190 /nfs/dbraw/zinc/00/71/90/613007190.db2.gz GFQZDPXRDGIWNH-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980485667 613082183 /nfs/dbraw/zinc/08/21/83/613082183.db2.gz KSZDYUVQSOZGDO-HZPDHXFCSA-N 2 0 291.439 1.273 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C[NH2+]CC)C[C@@H]2C)CC1 ZINC000980815299 613130024 /nfs/dbraw/zinc/13/00/24/613130024.db2.gz BHGDFSCPCTTZNC-GJZGRUSLSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH+]1CCCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC000982012511 613140746 /nfs/dbraw/zinc/14/07/46/613140746.db2.gz YFTHEGPDJDURRW-HNNXBMFYSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC000981848438 613142675 /nfs/dbraw/zinc/14/26/75/613142675.db2.gz OFSSZJUHDWKIFF-OAHLLOKOSA-N 2 0 289.423 1.028 20 30 CDEDRP C=C(C)CC[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000981953698 613252339 /nfs/dbraw/zinc/25/23/39/613252339.db2.gz RXUUYHMLBGHHQB-INIZCTEOSA-N 2 0 293.455 1.971 20 30 CDEDRP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974602784 613282242 /nfs/dbraw/zinc/28/22/42/613282242.db2.gz XQEIMTBFLDZAEO-RRFJBIMHSA-N 2 0 291.439 1.177 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000948245327 613313556 /nfs/dbraw/zinc/31/35/56/613313556.db2.gz OWFPFQXMEDMOHL-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000948245332 613315113 /nfs/dbraw/zinc/31/51/13/613315113.db2.gz OWFPFQXMEDMOHL-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000970499189 613349596 /nfs/dbraw/zinc/34/95/96/613349596.db2.gz PUMXYCKPYVGUJK-CYBMUJFWSA-N 2 0 288.395 1.528 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000968904782 613384442 /nfs/dbraw/zinc/38/44/42/613384442.db2.gz ZZIXPGJMZAOFIK-GFCCVEGCSA-N 2 0 285.819 1.414 20 30 CDEDRP C=CCC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000981391232 613495136 /nfs/dbraw/zinc/49/51/36/613495136.db2.gz MVOQYZIDSFHVPH-HNNXBMFYSA-N 2 0 281.444 1.683 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944944023 613535061 /nfs/dbraw/zinc/53/50/61/613535061.db2.gz LHFYWTPPIXCKQT-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000969976097 613661985 /nfs/dbraw/zinc/66/19/85/613661985.db2.gz PUHJUWMEKOZVBY-OCCSQVGLSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000969156781 613866893 /nfs/dbraw/zinc/86/68/93/613866893.db2.gz FJKZWRLKWKVASV-CYBMUJFWSA-N 2 0 284.363 1.633 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCS[C@@H](C(C)C)C1 ZINC000153775917 631863423 /nfs/dbraw/zinc/86/34/23/631863423.db2.gz SZCIYVUEDDNSQN-UONOGXRCSA-N 2 0 298.500 1.587 20 30 CDEDRP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001755034717 1159508502 /nfs/dbraw/zinc/50/85/02/1159508502.db2.gz XMQQIOYAQGAYLX-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132107084 1163173678 /nfs/dbraw/zinc/17/36/78/1163173678.db2.gz XQQGSSBWZJGVMD-GJZGRUSLSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001128533285 1161493593 /nfs/dbraw/zinc/49/35/93/1161493593.db2.gz KPBRVOWASIXVAY-KGLIPLIRSA-N 2 0 287.423 1.727 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132884808 1163499702 /nfs/dbraw/zinc/49/97/02/1163499702.db2.gz WGUBTUMDCSSODJ-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001133347361 1163649795 /nfs/dbraw/zinc/64/97/95/1163649795.db2.gz WIJPIGCBJWOEHB-CVEARBPZSA-N 2 0 293.455 1.424 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114410715 1164899741 /nfs/dbraw/zinc/89/97/41/1164899741.db2.gz ZCBVVXZPVDDAEY-JJXSEGSLSA-N 2 0 291.439 1.339 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001690363321 1175449456 /nfs/dbraw/zinc/44/94/56/1175449456.db2.gz JZMHLECGGASGBT-XQQFMLRXSA-N 2 0 253.390 1.140 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001732422357 1182957911 /nfs/dbraw/zinc/95/79/11/1182957911.db2.gz FNELZSCYGJFMTN-GJZGRUSLSA-N 2 0 283.460 1.975 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001752997193 1184987186 /nfs/dbraw/zinc/98/71/86/1184987186.db2.gz SQDFVSJFWMHCEE-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001753316408 1185150002 /nfs/dbraw/zinc/15/00/02/1185150002.db2.gz RFPKHKNNHWVXOT-BZUAXINKSA-N 2 0 293.455 1.826 20 30 CDEDRP C#CCC[NH2+][C@H](CC)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001753478742 1185229373 /nfs/dbraw/zinc/22/93/73/1185229373.db2.gz VUCDXVCZMXKHEQ-HUUCEWRRSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001753766412 1185330067 /nfs/dbraw/zinc/33/00/67/1185330067.db2.gz JKYGAEZOJVPDDR-CABCVRRESA-N 2 0 281.444 1.731 20 30 CDEDRP C=C(C)C[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001754684479 1185703428 /nfs/dbraw/zinc/70/34/28/1185703428.db2.gz QRGWTXURXQQNBP-HNNXBMFYSA-N 2 0 267.417 1.485 20 30 CDEDRP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001754806113 1185735987 /nfs/dbraw/zinc/73/59/87/1185735987.db2.gz XEUHTARSFNLVCK-HUUCEWRRSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001755392353 1185939776 /nfs/dbraw/zinc/93/97/76/1185939776.db2.gz UOVCYKZGZDZIQY-KBPBESRZSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001755431455 1185949617 /nfs/dbraw/zinc/94/96/17/1185949617.db2.gz KNCVFWXBGWFIEY-XQLPTFJDSA-N 2 0 279.428 1.197 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+](CC)C1 ZINC000303896786 1186581248 /nfs/dbraw/zinc/58/12/48/1186581248.db2.gz UUKGVTCWEPCHFU-LSDHHAIUSA-N 3 0 295.475 1.107 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+](CC)C1 ZINC000303896778 1186581695 /nfs/dbraw/zinc/58/16/95/1186581695.db2.gz UUKGVTCWEPCHFU-CABCVRRESA-N 3 0 295.475 1.107 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001366350251 956760573 /nfs/dbraw/zinc/76/05/73/956760573.db2.gz ZDHHYDPLLSPGRA-VXGBXAGGSA-N 2 0 275.824 1.419 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001074655326 837444443 /nfs/dbraw/zinc/44/44/43/837444443.db2.gz ZSCPELRKHBNCHV-QEJZJMRPSA-N 2 0 277.412 1.093 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000996993748 837447415 /nfs/dbraw/zinc/44/74/15/837447415.db2.gz DJBDVMOKQLYMLD-ZDUSSCGKSA-N 2 0 299.846 1.804 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001018838070 837569702 /nfs/dbraw/zinc/56/97/02/837569702.db2.gz UFGGUOPZXWXFHV-GJZGRUSLSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000999502573 837803982 /nfs/dbraw/zinc/80/39/82/837803982.db2.gz KKHGXPYSAVNGOF-QQFBHYJXSA-N 2 0 291.439 1.463 20 30 CDEDRP C#C[C@@](C)(CC)[NH2+]CCOCC[NH2+][C@@](C)(C#C)CC ZINC000852101599 835759637 /nfs/dbraw/zinc/75/96/37/835759637.db2.gz RGOJVRORSJXIQK-HOTGVXAUSA-N 2 0 264.413 1.786 20 30 CDEDRP C=CCC[N@@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034491506 835794196 /nfs/dbraw/zinc/79/41/96/835794196.db2.gz SOODEDREPVCWFD-HNNXBMFYSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001002829008 835811793 /nfs/dbraw/zinc/81/17/93/835811793.db2.gz QCIISTUKADQFEF-INIZCTEOSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000846612713 835860773 /nfs/dbraw/zinc/86/07/73/835860773.db2.gz OLTWMNVTSHKYQF-UHFFFAOYSA-N 2 0 291.439 1.276 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001031800460 835921807 /nfs/dbraw/zinc/92/18/07/835921807.db2.gz SCJLSTGBTVIEAE-UHFFFAOYSA-N 2 0 298.390 1.880 20 30 CDEDRP C[C@@H]1C[NH+](CCCNC(=[NH2+])N2CCCCC2)C[C@@H](C)O1 ZINC000303782824 835928145 /nfs/dbraw/zinc/92/81/45/835928145.db2.gz NQWVHVSIEPZATP-ZIAGYGMSSA-N 2 0 282.432 1.286 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCC[C@@H](C)[NH+]1CCCCC1 ZINC000305816414 836020190 /nfs/dbraw/zinc/02/01/90/836020190.db2.gz MLBFGGUCMUBXSX-QWHCGFSZSA-N 2 0 270.421 1.190 20 30 CDEDRP C#CCN1CCC[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000886660808 836110486 /nfs/dbraw/zinc/11/04/86/836110486.db2.gz GKVALDRPGLWHJG-MRXNPFEDSA-N 2 0 277.456 1.937 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000999877071 836147501 /nfs/dbraw/zinc/14/75/01/836147501.db2.gz YELOERFJWMAHJD-NRXISQOPSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001044796343 836151115 /nfs/dbraw/zinc/15/11/15/836151115.db2.gz JSEPUOGYZFMSQY-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C1CCC1 ZINC001049515217 836337557 /nfs/dbraw/zinc/33/75/57/836337557.db2.gz MJSDYGQZRSQYOF-JKSUJKDBSA-N 2 0 289.423 1.169 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000791339760 836367029 /nfs/dbraw/zinc/36/70/29/836367029.db2.gz GSLJFQDBBFLVRT-CQSZACIVSA-N 2 0 265.401 1.191 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997012881 836484157 /nfs/dbraw/zinc/48/41/57/836484157.db2.gz YLGNMVITDPCWPP-ZFWWWQNUSA-N 2 0 279.428 1.341 20 30 CDEDRP C[C@H]1CCCC[N@@H+]1CCC[NH+]=C(N(C)C)N(C)C ZINC000303782264 836656360 /nfs/dbraw/zinc/65/63/60/836656360.db2.gz NBKNVXWTEYSQPA-ZDUSSCGKSA-N 2 0 254.422 1.730 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000804867627 836943273 /nfs/dbraw/zinc/94/32/73/836943273.db2.gz HEOUFZBTCUWQQM-UHFFFAOYSA-N 2 0 293.411 1.678 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1(C)C ZINC000996310751 836973617 /nfs/dbraw/zinc/97/36/17/836973617.db2.gz PKKHRRYOJYEUJX-CQSZACIVSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033199284 836985003 /nfs/dbraw/zinc/98/50/03/836985003.db2.gz PUUGHWUOKBOOPI-GJZGRUSLSA-N 2 0 277.412 1.027 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001049369961 837171783 /nfs/dbraw/zinc/17/17/83/837171783.db2.gz RMZGILKKIHRETE-ARFHVFGLSA-N 2 0 291.439 1.722 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000392835486 837867104 /nfs/dbraw/zinc/86/71/04/837867104.db2.gz IUQNAADCXCAOBA-UHFFFAOYSA-N 2 0 282.391 1.917 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015930927 837948232 /nfs/dbraw/zinc/94/82/32/837948232.db2.gz WTHUDVSBHUIRHE-HNNXBMFYSA-N 2 0 279.428 1.483 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nccs1 ZINC000170907271 838092084 /nfs/dbraw/zinc/09/20/84/838092084.db2.gz PNKNLQMPFUETOV-SNVBAGLBSA-N 2 0 267.402 1.032 20 30 CDEDRP CC[C@H](C)NC(=[NH2+])NCCC[NH+]1CCCCCC1 ZINC000194684940 839040321 /nfs/dbraw/zinc/04/03/21/839040321.db2.gz MULXHPDBCAPVDV-ZDUSSCGKSA-N 2 0 254.422 1.955 20 30 CDEDRP C=C(Cl)CN1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014469701 839045346 /nfs/dbraw/zinc/04/53/46/839045346.db2.gz TWRUXNRYNJRARW-KGLIPLIRSA-N 2 0 297.830 1.271 20 30 CDEDRP CCC(CC)[C@H](CNC(NC1CC1)=[NH+]C)N1CCOCC1 ZINC000848983900 839075620 /nfs/dbraw/zinc/07/56/20/839075620.db2.gz QNFOUYROPMXYLY-HNNXBMFYSA-N 2 0 296.459 1.451 20 30 CDEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001016967777 839095023 /nfs/dbraw/zinc/09/50/23/839095023.db2.gz AVSPFVMQNKIHGA-CABCVRRESA-N 2 0 291.439 1.485 20 30 CDEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000817943715 839101027 /nfs/dbraw/zinc/10/10/27/839101027.db2.gz RBGGYZYKXUVPSH-OAHLLOKOSA-N 2 0 287.407 1.254 20 30 CDEDRP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)Cn2ccnc2)C1 ZINC001034547592 839235440 /nfs/dbraw/zinc/23/54/40/839235440.db2.gz VQWUWEJDOUMGLP-HNNXBMFYSA-N 2 0 290.411 1.820 20 30 CDEDRP N#Cc1ccc(N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cn1 ZINC000872146846 839258565 /nfs/dbraw/zinc/25/85/65/839258565.db2.gz ZALZWANHZWEFMM-CQSZACIVSA-N 2 0 285.395 1.075 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033274115 839470496 /nfs/dbraw/zinc/47/04/96/839470496.db2.gz WYIBPLOWXHMMAN-OAHLLOKOSA-N 2 0 284.363 1.667 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001027650418 839501587 /nfs/dbraw/zinc/50/15/87/839501587.db2.gz GFEJYOZONVRJLL-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[C@H](O)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132545 839505169 /nfs/dbraw/zinc/50/51/69/839505169.db2.gz IBYHBPCQGVOJEO-ZBFHGGJFSA-N 2 0 275.396 1.919 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001041140411 839540643 /nfs/dbraw/zinc/54/06/43/839540643.db2.gz JOGLPDBZDAQPSH-DOTOQJQBSA-N 2 0 291.439 1.581 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000999198196 839548050 /nfs/dbraw/zinc/54/80/50/839548050.db2.gz AUFIQOUVLPTRBA-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033318042 839548236 /nfs/dbraw/zinc/54/82/36/839548236.db2.gz FVLFKDYTDRDUDO-OAHLLOKOSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034042903 839751472 /nfs/dbraw/zinc/75/14/72/839751472.db2.gz RSNBYRKECNFUND-GJZGRUSLSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001020907226 839759626 /nfs/dbraw/zinc/75/96/26/839759626.db2.gz XNIGDTGZQBYGSX-BZUAXINKSA-N 2 0 291.439 1.511 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001036113944 839851689 /nfs/dbraw/zinc/85/16/89/839851689.db2.gz VUFIBDZYLCKQNT-XJKSGUPXSA-N 2 0 298.390 1.961 20 30 CDEDRP C#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001050138496 839898733 /nfs/dbraw/zinc/89/87/33/839898733.db2.gz GTMVWYSSBOCIKE-HRCADAONSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000996761155 839906404 /nfs/dbraw/zinc/90/64/04/839906404.db2.gz DSAUFBCLCCKJBJ-MRXNPFEDSA-N 2 0 293.455 1.873 20 30 CDEDRP CC1CC[NH+](CCCNC(=[NH2+])N2CCCCC2)CC1 ZINC000303786939 840092792 /nfs/dbraw/zinc/09/27/92/840092792.db2.gz RWHWYYAVQKISMH-UHFFFAOYSA-N 2 0 266.433 1.909 20 30 CDEDRP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001049064410 840123091 /nfs/dbraw/zinc/12/30/91/840123091.db2.gz FQEVQZKSTOMVLA-MJBXVCDLSA-N 2 0 299.846 1.469 20 30 CDEDRP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001024802848 840157224 /nfs/dbraw/zinc/15/72/24/840157224.db2.gz BFGMEESHPJUHDU-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028538794 840189936 /nfs/dbraw/zinc/18/99/36/840189936.db2.gz IWTBAFWJEBVNCY-HOCLYGCPSA-N 2 0 291.439 1.342 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCC)C1 ZINC001033163161 840197390 /nfs/dbraw/zinc/19/73/90/840197390.db2.gz ZBQVJKYXMVWJST-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033828269 840289058 /nfs/dbraw/zinc/28/90/58/840289058.db2.gz NXDXLOLMQKJEDP-HZPDHXFCSA-N 2 0 293.455 1.968 20 30 CDEDRP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989662797 840373513 /nfs/dbraw/zinc/37/35/13/840373513.db2.gz XIPJOWVEVOUNJF-HNNXBMFYSA-N 2 0 279.428 1.439 20 30 CDEDRP CC#CCN1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001031800592 840376982 /nfs/dbraw/zinc/37/69/82/840376982.db2.gz VJAMCGAIYHYERW-UHFFFAOYSA-N 2 0 296.374 1.328 20 30 CDEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCc3nccn32)C1 ZINC001046373337 840429885 /nfs/dbraw/zinc/42/98/85/840429885.db2.gz XROKFVIPZONIRI-CJNGLKHVSA-N 2 0 288.395 1.527 20 30 CDEDRP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049547705 840715110 /nfs/dbraw/zinc/71/51/10/840715110.db2.gz BMHHUNCGVLSYHV-OAGGEKHMSA-N 2 0 291.439 1.415 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001027789678 840723200 /nfs/dbraw/zinc/72/32/00/840723200.db2.gz JWFSZHXPADCNQY-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CCC[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001005994726 840760717 /nfs/dbraw/zinc/76/07/17/840760717.db2.gz HQOYUHQXZHLGPW-HNNXBMFYSA-N 2 0 291.439 1.417 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000303877658 840820327 /nfs/dbraw/zinc/82/03/27/840820327.db2.gz FMMQANPYXMVQOP-GJZGRUSLSA-N 2 0 298.475 1.682 20 30 CDEDRP C[C@@H](C[NH2+]C[C@H](O)c1ccc(C#N)cc1)C[NH+]1CCCC1 ZINC000062071209 840842064 /nfs/dbraw/zinc/84/20/64/840842064.db2.gz NKFXINITYILBBP-YOEHRIQHSA-N 2 0 287.407 1.913 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002860133 840861215 /nfs/dbraw/zinc/86/12/15/840861215.db2.gz HRDMHRUBTAZGHP-UKRRQHHQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001022350758 840900661 /nfs/dbraw/zinc/90/06/61/840900661.db2.gz PEIAKRHLKCWKIO-QLFBSQMISA-N 2 0 279.428 1.530 20 30 CDEDRP C[NH+]=C(NC[C@@H](C)C[NH+]1CCCCC1)NC1CC1 ZINC000848995390 841014065 /nfs/dbraw/zinc/01/40/65/841014065.db2.gz QKTDRFSWOZKLMF-GFCCVEGCSA-N 2 0 252.406 1.436 20 30 CDEDRP C[NH2+]Cc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1 ZINC000884298662 841150411 /nfs/dbraw/zinc/15/04/11/841150411.db2.gz ZVRRGPRFFSRHSV-UUCFBXCCSA-N 2 0 298.390 1.484 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000262021272 841310365 /nfs/dbraw/zinc/31/03/65/841310365.db2.gz XYJSODOXIXDSLE-CHWSQXEVSA-N 2 0 252.406 1.730 20 30 CDEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031584550 841569823 /nfs/dbraw/zinc/56/98/23/841569823.db2.gz FXRGGGAEGBELHL-AWEZNQCLSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999167609 841640804 /nfs/dbraw/zinc/64/08/04/841640804.db2.gz BILFTMIPSBUXMF-LSDHHAIUSA-N 2 0 277.412 1.095 20 30 CDEDRP C[NH+]=C(NCC[NH2+]C(C)(C)C)NCc1ccco1 ZINC000849006049 841656335 /nfs/dbraw/zinc/65/63/35/841656335.db2.gz OUWPBGQHKCMZMY-UHFFFAOYSA-N 2 0 252.362 1.333 20 30 CDEDRP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001029001728 841813540 /nfs/dbraw/zinc/81/35/40/841813540.db2.gz BOUZZAGNBDBFNX-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049533054 841815373 /nfs/dbraw/zinc/81/53/73/841815373.db2.gz LZVSJPMWFQOULQ-PMPSAXMXSA-N 2 0 293.455 1.824 20 30 CDEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001005184234 841847516 /nfs/dbraw/zinc/84/75/16/841847516.db2.gz LAYRCUAZAMMHIS-MRXNPFEDSA-N 2 0 293.455 1.970 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000104160960 841876737 /nfs/dbraw/zinc/87/67/37/841876737.db2.gz LTWHKXGRXUQWTK-STQMWFEESA-N 2 0 270.421 1.046 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001038259350 842207653 /nfs/dbraw/zinc/20/76/53/842207653.db2.gz ACXIZRPTAWERHW-LSDHHAIUSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000989606795 842267261 /nfs/dbraw/zinc/26/72/61/842267261.db2.gz VBFKCVRJSRQBNF-HUUCEWRRSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC000874436973 842372364 /nfs/dbraw/zinc/37/23/64/842372364.db2.gz ZVXRNZGALBZDQO-UHFFFAOYSA-N 2 0 265.401 1.239 20 30 CDEDRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000929275592 842594763 /nfs/dbraw/zinc/59/47/63/842594763.db2.gz KGHFTASXZPCYJD-CQSZACIVSA-N 2 0 253.390 1.315 20 30 CDEDRP C#CC[NH2+][C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001054862385 842672571 /nfs/dbraw/zinc/67/25/71/842672571.db2.gz CUFDAIYKQJOBQA-DOMZBBRYSA-N 2 0 282.347 1.018 20 30 CDEDRP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccnc1C ZINC001032784320 842793369 /nfs/dbraw/zinc/79/33/69/842793369.db2.gz RQVVGCYDFHWZQD-GJZGRUSLSA-N 2 0 288.395 1.443 20 30 CDEDRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NCCC ZINC000303871756 842810301 /nfs/dbraw/zinc/81/03/01/842810301.db2.gz GAYUTISCJNPLIS-CYBMUJFWSA-N 2 0 254.422 1.955 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1Cc2ccccc21 ZINC000303902119 842836523 /nfs/dbraw/zinc/83/65/23/842836523.db2.gz XQGDNLMOEAMKGL-HUUCEWRRSA-N 2 0 286.423 1.715 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001019599865 842886855 /nfs/dbraw/zinc/88/68/55/842886855.db2.gz SIOCNDPSSYYLPA-HNNXBMFYSA-N 2 0 296.374 1.862 20 30 CDEDRP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3ccnc3)C2)C1 ZINC001040553505 842895237 /nfs/dbraw/zinc/89/52/37/842895237.db2.gz YLVRBHKKWYSNGB-INIZCTEOSA-N 2 0 288.395 1.384 20 30 CDEDRP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001027919748 842898053 /nfs/dbraw/zinc/89/80/53/842898053.db2.gz AQGIKRVVXIXEIT-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC001121944396 913277134 /nfs/dbraw/zinc/27/71/34/913277134.db2.gz QTHWDNNWSUJNMU-RYUDHWBXSA-N 2 0 253.390 1.174 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001106149871 913434432 /nfs/dbraw/zinc/43/44/32/913434432.db2.gz XFXQZKSPCDXAHV-KLHDSHLOSA-N 2 0 291.439 1.034 20 30 CDEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001175048789 913442205 /nfs/dbraw/zinc/44/22/05/913442205.db2.gz KCQDVRKYCXRZCM-CQSZACIVSA-N 2 0 269.433 1.779 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127344956 913956375 /nfs/dbraw/zinc/95/63/75/913956375.db2.gz UXPIGBUFEOMCOA-HNNXBMFYSA-N 2 0 293.455 1.923 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001104291627 895429255 /nfs/dbraw/zinc/42/92/55/895429255.db2.gz QNRXCPKRJOCCRJ-FVQBIDKESA-N 2 0 291.439 1.034 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176165426 913987369 /nfs/dbraw/zinc/98/73/69/913987369.db2.gz LHGXBWPMNAWUOC-CABCVRRESA-N 2 0 279.428 1.226 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001167608268 897006063 /nfs/dbraw/zinc/00/60/63/897006063.db2.gz CTJWWXICISIPOF-HNNXBMFYSA-N 2 0 281.444 1.923 20 30 CDEDRP C=CC[N@@H+](C)CCN(C(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001284544060 903925929 /nfs/dbraw/zinc/92/59/29/903925929.db2.gz KOMVLMQXFWFLBN-AWEZNQCLSA-N 2 0 269.433 1.681 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001270104773 904360073 /nfs/dbraw/zinc/36/00/73/904360073.db2.gz FSKJHINZOXQQQF-OAHLLOKOSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001203437662 905271239 /nfs/dbraw/zinc/27/12/39/905271239.db2.gz QHTQAULINTUSMR-UHFFFAOYSA-N 2 0 287.835 1.661 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1CC ZINC001087726539 905795681 /nfs/dbraw/zinc/79/56/81/905795681.db2.gz KBZSTOUXNMAWGZ-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168022455 905828227 /nfs/dbraw/zinc/82/82/27/905828227.db2.gz PEFBEYNFOLYOFI-UONOGXRCSA-N 2 0 299.846 1.852 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001088110017 906327878 /nfs/dbraw/zinc/32/78/78/906327878.db2.gz JJKKHBZUOWSVMA-PMPSAXMXSA-N 2 0 293.455 1.683 20 30 CDEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001088413461 907128190 /nfs/dbraw/zinc/12/81/90/907128190.db2.gz GSSIMBMBCOYSLE-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092931457 909549529 /nfs/dbraw/zinc/54/95/29/909549529.db2.gz MUWCNQCVFAWLPA-UKRRQHHQSA-N 2 0 279.428 1.198 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001189660852 921611556 /nfs/dbraw/zinc/61/15/56/921611556.db2.gz ZIXIAMXCVLBQCW-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C[C@@H](CCCC#N)[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001172503282 911737510 /nfs/dbraw/zinc/73/75/10/911737510.db2.gz YMYDQEYNPBNTDV-AWEZNQCLSA-N 2 0 252.406 1.248 20 30 CDEDRP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001099028525 912135471 /nfs/dbraw/zinc/13/54/71/912135471.db2.gz ZULXUCYCDFMXEZ-VYDXJSESSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001179587331 915888917 /nfs/dbraw/zinc/88/89/17/915888917.db2.gz YNOQJNUDBGSQKW-MRXNPFEDSA-N 2 0 293.455 1.618 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179925213 916063397 /nfs/dbraw/zinc/06/33/97/916063397.db2.gz LDUVRHMGIBDUJK-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107040485 917892155 /nfs/dbraw/zinc/89/21/55/917892155.db2.gz GDMJDZJTSCFKBI-HZPDHXFCSA-N 2 0 295.471 1.977 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001183044546 918270205 /nfs/dbraw/zinc/27/02/05/918270205.db2.gz JUGUQTBYBIMCGR-LSDHHAIUSA-N 2 0 277.412 1.191 20 30 CDEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107522522 918426383 /nfs/dbraw/zinc/42/63/83/918426383.db2.gz FZDDUTTUSVXKJL-NVXWUHKLSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001183517046 918506708 /nfs/dbraw/zinc/50/67/08/918506708.db2.gz LYPOGDXETSURKK-NVXWUHKLSA-N 2 0 295.471 1.977 20 30 CDEDRP CC#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001000701452 936538274 /nfs/dbraw/zinc/53/82/74/936538274.db2.gz IIQBRCNXVIXLEJ-GDBMZVCRSA-N 2 0 289.423 1.098 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001184302711 919012137 /nfs/dbraw/zinc/01/21/37/919012137.db2.gz XROBLQQWRQJKPZ-CQSZACIVSA-N 2 0 282.347 1.162 20 30 CDEDRP N#Cc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1F ZINC001205221725 919181785 /nfs/dbraw/zinc/18/17/85/919181785.db2.gz XGLSMGHOUVBPJB-HNNXBMFYSA-N 2 0 277.343 1.373 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001185548377 919649286 /nfs/dbraw/zinc/64/92/86/919649286.db2.gz MCDZZTBTJRWHMI-JKSUJKDBSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001185750967 919753623 /nfs/dbraw/zinc/75/36/23/919753623.db2.gz NDJYDHXZVXVQEO-HZPDHXFCSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187825215 920658559 /nfs/dbraw/zinc/65/85/59/920658559.db2.gz GFRDNWSNZBDTBA-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001098219662 936746713 /nfs/dbraw/zinc/74/67/13/936746713.db2.gz OLKUEKBDHZQJPM-JJXSEGSLSA-N 2 0 291.439 1.626 20 30 CDEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194245934 924131649 /nfs/dbraw/zinc/13/16/49/924131649.db2.gz GPVKLYFEAVBQDO-INIZCTEOSA-N 2 0 291.439 1.418 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194246924 924131841 /nfs/dbraw/zinc/13/18/41/924131841.db2.gz SZPIHHRSQFXQBR-INIZCTEOSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CCCC[NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001100873115 936942207 /nfs/dbraw/zinc/94/22/07/936942207.db2.gz VCOVRALJDVVWQJ-UHFFFAOYSA-N 2 0 291.439 1.533 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001101036529 936953150 /nfs/dbraw/zinc/95/31/50/936953150.db2.gz SISGLOFRLSUCMR-UYSNPLJNSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCCC[N@@H+]1CCCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001197269093 925106967 /nfs/dbraw/zinc/10/69/67/925106967.db2.gz CGVWUBLFAVOAPQ-UHFFFAOYSA-N 2 0 276.384 1.453 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@@H]21 ZINC001085032026 925587371 /nfs/dbraw/zinc/58/73/71/925587371.db2.gz LHQDBIAJJZNYJG-XHSDSOJGSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001085309215 925873033 /nfs/dbraw/zinc/87/30/33/925873033.db2.gz DENFQCVTEFQDLW-CAOSSQGBSA-N 2 0 293.455 1.920 20 30 CDEDRP C#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085593794 926192340 /nfs/dbraw/zinc/19/23/40/926192340.db2.gz ROEIWKHBVHPXDS-HUUCEWRRSA-N 2 0 277.412 1.025 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514168 937062040 /nfs/dbraw/zinc/06/20/40/937062040.db2.gz PATQGNHKLBBAML-QLFBSQMISA-N 2 0 279.428 1.198 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799309 926410914 /nfs/dbraw/zinc/41/09/14/926410914.db2.gz OMRIDSPDJYMSMR-OAHLLOKOSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCC)C2)CC1 ZINC001086278409 926931904 /nfs/dbraw/zinc/93/19/04/926931904.db2.gz VEOUXWUYLYWTGV-FZNQNYSPSA-N 2 0 291.439 1.226 20 30 CDEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001103147957 937124824 /nfs/dbraw/zinc/12/48/24/937124824.db2.gz HVFZOGRBIAZBKA-OAGGEKHMSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001103643955 937149671 /nfs/dbraw/zinc/14/96/71/937149671.db2.gz YZYRQMRJHFXXCV-BZUAXINKSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001110616765 927313249 /nfs/dbraw/zinc/31/32/49/927313249.db2.gz PVQJHCZJOPJEDX-TUVASFSCSA-N 2 0 297.418 1.574 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001169957922 928551414 /nfs/dbraw/zinc/55/14/14/928551414.db2.gz HKMQXOPIWYZKEI-UHFFFAOYSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001202495941 928609480 /nfs/dbraw/zinc/60/94/80/928609480.db2.gz LAYYFKQEZRUWMN-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](C)C)C2 ZINC001108750156 928629429 /nfs/dbraw/zinc/62/94/29/928629429.db2.gz XFTVVFXYRUNUFV-ZNMIVQPWSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001252491685 928727913 /nfs/dbraw/zinc/72/79/13/928727913.db2.gz UAPRFWGJYLXYPY-HZSPNIEDSA-N 2 0 256.390 1.012 20 30 CDEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109411763 928925681 /nfs/dbraw/zinc/92/56/81/928925681.db2.gz MDRNHAKMDRVABK-PMPSAXMXSA-N 2 0 291.439 1.768 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109688646 929009011 /nfs/dbraw/zinc/00/90/11/929009011.db2.gz ZXODKXNIHNEBOQ-FXUDXRNXSA-N 2 0 293.455 1.870 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152386507 937358110 /nfs/dbraw/zinc/35/81/10/937358110.db2.gz LNOONKIKMLWJHI-OLZOCXBDSA-N 2 0 253.390 1.093 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608545 929813801 /nfs/dbraw/zinc/81/38/01/929813801.db2.gz WZMGKYJIBFSPMQ-QWHCGFSZSA-N 2 0 267.417 1.530 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134606983 929814250 /nfs/dbraw/zinc/81/42/50/929814250.db2.gz CFASDGXBKHMMLL-UONOGXRCSA-N 2 0 279.428 1.367 20 30 CDEDRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001152439887 937362433 /nfs/dbraw/zinc/36/24/33/937362433.db2.gz UEVQUYBPHYSADJ-UHFFFAOYSA-N 2 0 294.424 1.166 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001152459111 937364449 /nfs/dbraw/zinc/36/44/49/937364449.db2.gz YWRVRGJBWYNOGS-AWEZNQCLSA-N 2 0 267.417 1.533 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780499 929897176 /nfs/dbraw/zinc/89/71/76/929897176.db2.gz JLSCJEQBXGWUFX-UHFFFAOYSA-N 2 0 267.417 1.390 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181051 930086950 /nfs/dbraw/zinc/08/69/50/930086950.db2.gz LONHQWFGBFBEEJ-KBPBESRZSA-N 2 0 281.444 1.920 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001086734673 930212091 /nfs/dbraw/zinc/21/20/91/930212091.db2.gz OTKYCMPPFDWXII-ZNMIVQPWSA-N 2 0 279.428 1.531 20 30 CDEDRP CCOC(=O)c1cc(N[C@@H]([NH3+])CCC[NH3+])ccc1C#N ZINC001170905130 930718195 /nfs/dbraw/zinc/71/81/95/930718195.db2.gz SDYFGEZJWIXMHF-CYBMUJFWSA-N 2 0 276.340 1.171 20 30 CDEDRP C=CCC[C@H](C)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246138084 931097348 /nfs/dbraw/zinc/09/73/48/931097348.db2.gz AJFVHPBOJCXUFI-UONOGXRCSA-N 2 0 251.418 1.805 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154174605 937513367 /nfs/dbraw/zinc/51/33/67/937513367.db2.gz LMJJJGJSHNIQCZ-CYBMUJFWSA-N 2 0 286.379 1.961 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171226738 932039884 /nfs/dbraw/zinc/03/98/84/932039884.db2.gz KGOGVOLQTGNAOK-AWEZNQCLSA-N 2 0 267.417 1.390 20 30 CDEDRP C=CC[N@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001148277626 932690205 /nfs/dbraw/zinc/69/02/05/932690205.db2.gz JCITWYYGGUPBSU-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP C[C@@H](C#N)c1cccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c1 ZINC001148624283 932764340 /nfs/dbraw/zinc/76/43/40/932764340.db2.gz NQYIZHXZYZNUAC-NSHDSACASA-N 2 0 287.367 1.388 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092272230 932931512 /nfs/dbraw/zinc/93/15/12/932931512.db2.gz AKKRPBIMGQWRSF-INMHGKMJSA-N 2 0 291.439 1.295 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110953908 933191927 /nfs/dbraw/zinc/19/19/27/933191927.db2.gz GGRYESVOYKIEEY-MCIONIFRSA-N 2 0 277.412 1.236 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001096345358 936046935 /nfs/dbraw/zinc/04/69/35/936046935.db2.gz WOPVSYIKZZBEFC-XGUBFFRZSA-N 2 0 277.412 1.236 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049893755 936186600 /nfs/dbraw/zinc/18/66/00/936186600.db2.gz FACZEPRKNIAMHW-JKSUJKDBSA-N 2 0 289.423 1.171 20 30 CDEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)CCC)C2)C1 ZINC001122106277 937905697 /nfs/dbraw/zinc/90/56/97/937905697.db2.gz CVMUCFUSPWSZHV-UHFFFAOYSA-N 2 0 291.439 1.369 20 30 CDEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157701631 938534314 /nfs/dbraw/zinc/53/43/14/938534314.db2.gz GOLGDXGOUIMPMH-HZPDHXFCSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157893241 938558117 /nfs/dbraw/zinc/55/81/17/938558117.db2.gz CAEGUHBETIWBDW-OAHLLOKOSA-N 2 0 281.444 1.921 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158029152 938576121 /nfs/dbraw/zinc/57/61/21/938576121.db2.gz DASFZNYATUWKSF-ZIAGYGMSSA-N 2 0 299.846 1.709 20 30 CDEDRP N#Cc1cc2c(nc1N[C@@H]([NH3+])CCC[NH3+])CCCC2 ZINC001159787124 938753692 /nfs/dbraw/zinc/75/36/92/938753692.db2.gz RPECCCOOYWIIDN-CYBMUJFWSA-N 2 0 259.357 1.268 20 30 CDEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N(CCC#N)CCC#N ZINC001160750337 938823702 /nfs/dbraw/zinc/82/37/02/938823702.db2.gz HOCAIGWIGVPJFN-AWEZNQCLSA-N 2 0 293.415 1.138 20 30 CDEDRP N#Cc1nccnc1-n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001160944609 938846953 /nfs/dbraw/zinc/84/69/53/938846953.db2.gz TVHFIBKRCYNCFE-UHFFFAOYSA-N 2 0 264.292 1.188 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001214780229 938935356 /nfs/dbraw/zinc/93/53/56/938935356.db2.gz QNQFRQPQYXDZBX-BZUAXINKSA-N 2 0 291.439 1.321 20 30 CDEDRP N#Cc1cc(Cl)nc(NCCC[NH2+]CCCC[NH3+])c1 ZINC001162288927 938971981 /nfs/dbraw/zinc/97/19/81/938971981.db2.gz AFIIKHXNCUCKCY-UHFFFAOYSA-N 2 0 281.791 1.737 20 30 CDEDRP N#Cc1cnc2cc[nH]c(NCCC[NH2+]CCCC[NH3+])c1-2 ZINC001162293307 938972361 /nfs/dbraw/zinc/97/23/61/938972361.db2.gz WVEZBOHEJHOTHS-UHFFFAOYSA-N 2 0 286.383 1.565 20 30 CDEDRP C[Si](C)(C)C#C[NH2+]C[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163280216 939239067 /nfs/dbraw/zinc/23/90/67/939239067.db2.gz SADJDHOBQLYGLZ-KBPBESRZSA-N 2 0 266.461 1.573 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001163290924 939241008 /nfs/dbraw/zinc/24/10/08/939241008.db2.gz VAROZKNOGLYVFP-UHFFFAOYSA-N 2 0 279.428 1.370 20 30 CDEDRP C[Si](C)(C)C#C[NH2+][C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163315247 939245756 /nfs/dbraw/zinc/24/57/56/939245756.db2.gz JWOXAPRBFXZZOJ-QWHCGFSZSA-N 2 0 252.434 1.325 20 30 CDEDRP N#Cc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c(F)c1 ZINC001205230120 939839663 /nfs/dbraw/zinc/83/96/63/939839663.db2.gz QOKYSQRJAAYFPW-HNNXBMFYSA-N 2 0 277.343 1.373 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001205461859 939890760 /nfs/dbraw/zinc/89/07/60/939890760.db2.gz QECQSPMTOJAROA-HNNXBMFYSA-N 2 0 279.428 1.341 20 30 CDEDRP C[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)CCC[C@@H]1C[NH3+] ZINC001206025994 939969182 /nfs/dbraw/zinc/96/91/82/939969182.db2.gz QHQHREGSSOTCSU-TZMCWYRMSA-N 2 0 258.369 1.760 20 30 CDEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208123380 940293755 /nfs/dbraw/zinc/29/37/55/940293755.db2.gz LJTKSTVFVGFIAQ-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001208563648 940340742 /nfs/dbraw/zinc/34/07/42/940340742.db2.gz AGDNYZVVQYBJRO-HNNXBMFYSA-N 2 0 296.374 1.552 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCCCOC)CC1 ZINC001209219462 940451177 /nfs/dbraw/zinc/45/11/77/940451177.db2.gz JZUYYNCPWBSWLW-UHFFFAOYSA-N 2 0 295.471 1.705 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210492989 940694543 /nfs/dbraw/zinc/69/45/43/940694543.db2.gz GUWFIBAUNSABHR-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210673814 940705153 /nfs/dbraw/zinc/70/51/53/940705153.db2.gz IJGNSFCLQOARRE-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1CCC([NH3+])CC1 ZINC000402235356 940891437 /nfs/dbraw/zinc/89/14/37/940891437.db2.gz FMJKCNGQYMYGRU-GPANFISMSA-N 2 0 273.380 1.793 20 30 CDEDRP CC1(C)C[NH2+]CCc2ccc(O[C@H]3C[NH2+]C[C@H]3C#N)cc21 ZINC001218199657 941043292 /nfs/dbraw/zinc/04/32/92/941043292.db2.gz BKNZQROCCOZPOE-CJNGLKHVSA-N 2 0 285.391 1.600 20 30 CDEDRP CC(C)C[C@](C)(C#N)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221292932 941514368 /nfs/dbraw/zinc/51/43/68/941514368.db2.gz WNKJJXDYIBNVCM-DZGCQCFKSA-N 2 0 292.427 1.305 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001223495043 941681934 /nfs/dbraw/zinc/68/19/34/941681934.db2.gz HYQMFOVWDYYDAX-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001229193038 942431146 /nfs/dbraw/zinc/43/11/46/942431146.db2.gz CCFLNHOGKOHYFU-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230035057 942575712 /nfs/dbraw/zinc/57/57/12/942575712.db2.gz PMCZFOBXHZMETM-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCCC[NH+]1CC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277779310 943511079 /nfs/dbraw/zinc/51/10/79/943511079.db2.gz FAAQVPNSPPNJGN-HNNXBMFYSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH2+]CCN1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235154853 944072814 /nfs/dbraw/zinc/07/28/14/944072814.db2.gz WPLKBSULLDYJNA-OAHLLOKOSA-N 2 0 251.418 1.616 20 30 CDEDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2CCCCC#N ZINC001277951251 944187074 /nfs/dbraw/zinc/18/70/74/944187074.db2.gz IBMSKWSAGOJIJX-OKILXGFUSA-N 2 0 250.390 1.000 20 30 CDEDRP N#Cc1ccc(Br)c(CN(CC[NH3+])CC[NH3+])c1 ZINC001235878383 944296866 /nfs/dbraw/zinc/29/68/66/944296866.db2.gz ZAVATAOCEMNWPU-UHFFFAOYSA-N 2 0 297.200 1.040 20 30 CDEDRP C=CCOC1CCC([NH2+][C@H]2C[NH2+]CC23CC3)CC1 ZINC001246135684 947979410 /nfs/dbraw/zinc/97/94/10/947979410.db2.gz UMVHCNYBAHVRIK-RUXDESIVSA-N 2 0 250.386 1.842 20 30 CDEDRP CC1(C#N)CCC([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001246139373 947983320 /nfs/dbraw/zinc/98/33/20/947983320.db2.gz CUPMZIRKKMDIPP-HWOWSKLDSA-N 2 0 290.455 1.923 20 30 CDEDRP N#Cc1ccccc1CN1CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC001246361659 948132370 /nfs/dbraw/zinc/13/23/70/948132370.db2.gz MUSDYHGCJLYSBY-UHFFFAOYSA-N 2 0 298.434 1.864 20 30 CDEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246415837 948162932 /nfs/dbraw/zinc/16/29/32/948162932.db2.gz LIVIVEACTGBSRI-DOMZBBRYSA-N 2 0 288.395 1.062 20 30 CDEDRP CC(C)[NH+]1CCN(CC[NH2+]C2CCC(C#N)CC2)CC1 ZINC001256957908 948463077 /nfs/dbraw/zinc/46/30/77/948463077.db2.gz LRLXMXBZEZXJTF-UHFFFAOYSA-N 2 0 278.444 1.684 20 30 CDEDRP C=C1C[C@@H]2CC([N@H+]3C[C@@H](N)[C@@H](C(=O)OC)C3)C[C@H](C1)C2 ZINC001246928740 948524442 /nfs/dbraw/zinc/52/44/42/948524442.db2.gz AGLZYOWJAWBFIY-FIBILERRSA-N 2 0 278.396 1.553 20 30 CDEDRP C#CCOC[C@@H](O)C[NH2+]CC1CC[NH+](CC(C)(C)C)CC1 ZINC001251896918 950934178 /nfs/dbraw/zinc/93/41/78/950934178.db2.gz PXVPMHVJRNRZSD-INIZCTEOSA-N 2 0 296.455 1.345 20 30 CDEDRP C=C[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001252577991 951470113 /nfs/dbraw/zinc/47/01/13/951470113.db2.gz AJHAIDAJGLSQHC-KRWDZBQOSA-N 2 0 290.407 1.883 20 30 CDEDRP C=CCCCCCC[C@@H](O)C[NH2+]CCN1CC[NH+](C)CC1 ZINC001253246734 951826059 /nfs/dbraw/zinc/82/60/59/951826059.db2.gz TWBOLOGZFGTQMT-QGZVFWFLSA-N 2 0 297.487 1.711 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001367381736 957971613 /nfs/dbraw/zinc/97/16/13/957971613.db2.gz ZWQBGDUZGJUREY-GFCCVEGCSA-N 2 0 287.835 1.517 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](Cc1ccccc1)[NH2+]C ZINC001341027694 963242722 /nfs/dbraw/zinc/24/27/22/963242722.db2.gz KGJWQOBINGKUBD-HOTGVXAUSA-N 2 0 289.423 1.617 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)Cc2ncc[nH]2)CCCC1 ZINC001374173466 973806926 /nfs/dbraw/zinc/80/69/26/973806926.db2.gz DWGAXOKLNIMMFU-UHFFFAOYSA-N 2 0 296.802 1.723 20 30 CDEDRP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001505442307 974880867 /nfs/dbraw/zinc/88/08/67/974880867.db2.gz UGNRZEBOZLGXNU-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001379578757 975933679 /nfs/dbraw/zinc/93/36/79/975933679.db2.gz GYNOUUMTJFNQJQ-RYUDHWBXSA-N 2 0 275.824 1.419 20 30 CDEDRP C=CCCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132278867 1163226276 /nfs/dbraw/zinc/22/62/76/1163226276.db2.gz SCTLHRLQNNAUJF-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001132435457 1163290845 /nfs/dbraw/zinc/29/08/45/1163290845.db2.gz DSLQQVDCBCCRAR-LSDHHAIUSA-N 2 0 279.428 1.321 20 30 CDEDRP C[NH+](C)CCOc1ccc(CC[NH2+]CCC#N)cc1 ZINC000562985872 342501615 /nfs/dbraw/zinc/50/16/15/342501615.db2.gz TWFARXIUFHPFLN-UHFFFAOYSA-N 2 0 261.369 1.673 20 30 CDEDRP CC[NH+]1CCC(C[NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000232315018 342005886 /nfs/dbraw/zinc/00/58/86/342005886.db2.gz XRRMKGANHCEQCU-UHFFFAOYSA-N 2 0 260.385 1.718 20 30 CDEDRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442782187 362090739 /nfs/dbraw/zinc/09/07/39/362090739.db2.gz QRQFWXBONDBXQK-GOEBONIOSA-N 2 0 299.422 1.615 20 30 CDEDRP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000600768895 349878662 /nfs/dbraw/zinc/87/86/62/349878662.db2.gz HQFFBJQXVKRWLA-OLZOCXBDSA-N 2 0 259.353 1.973 20 30 CDEDRP CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000598720051 343883343 /nfs/dbraw/zinc/88/33/43/343883343.db2.gz LSYYCJBYLUUCDA-KGLIPLIRSA-N 2 0 265.401 1.361 20 30 CDEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000598728348 343887112 /nfs/dbraw/zinc/88/71/12/343887112.db2.gz BCLAGZAPLYNOSV-MRXNPFEDSA-N 2 0 293.455 1.999 20 30 CDEDRP C=CCn1cc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)nn1 ZINC000643902271 362296732 /nfs/dbraw/zinc/29/67/32/362296732.db2.gz VWBXQBFIFJELGQ-LBPRGKRZSA-N 2 0 263.389 1.284 20 30 CDEDRP C[N@H+](CCCN1CC[NH+](C)CC1)CC1(CC#N)CC1 ZINC000602795428 344586436 /nfs/dbraw/zinc/58/64/36/344586436.db2.gz AMZJNEITOYNAHT-UHFFFAOYSA-N 2 0 264.417 1.250 20 30 CDEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000447561957 362457944 /nfs/dbraw/zinc/45/79/44/362457944.db2.gz JZJIXAZETRVMJO-QLFBSQMISA-N 2 0 292.427 1.246 20 30 CDEDRP N#Cc1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)n1 ZINC000602638488 350135039 /nfs/dbraw/zinc/13/50/39/350135039.db2.gz TUGHQWCDUJHINZ-UHFFFAOYSA-N 2 0 270.380 1.917 20 30 CDEDRP CNC(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)=[NH+]C ZINC000065434210 363270424 /nfs/dbraw/zinc/27/04/24/363270424.db2.gz CYYUTJPYGPZCDA-OAHLLOKOSA-N 2 0 274.412 1.346 20 30 CDEDRP C=CCOCCC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000570139152 363384052 /nfs/dbraw/zinc/38/40/52/363384052.db2.gz SIEIVWXFDJAHGU-QGZVFWFLSA-N 2 0 295.471 1.679 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H](C)[NH3+])C(C)C ZINC000669385691 482763561 /nfs/dbraw/zinc/76/35/61/482763561.db2.gz FGVMLVPSLHQFMT-ZIAGYGMSSA-N 2 0 282.432 1.331 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](C)[NH3+])C(C)C ZINC000165198564 363625986 /nfs/dbraw/zinc/62/59/86/363625986.db2.gz LXSCVHIPVSFITO-CHWSQXEVSA-N 2 0 253.390 1.148 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C[C@@H]1CC[NH2+]C1)C(C)C ZINC000130457697 368831831 /nfs/dbraw/zinc/83/18/31/368831831.db2.gz SNKMFGRHHQXYFY-HOTGVXAUSA-N 2 0 293.455 1.801 20 30 CDEDRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)C[C@@H](C)C#N ZINC000191467652 373495673 /nfs/dbraw/zinc/49/56/73/373495673.db2.gz JTRYZYNDJKVTDR-INIZCTEOSA-N 2 0 280.460 1.884 20 30 CDEDRP C=CCN1CC[C@H]([N@H+](CCC[NH3+])CC2CCCC2)C1=O ZINC000420313928 376326431 /nfs/dbraw/zinc/32/64/31/376326431.db2.gz KKCZYKNWQUDGEZ-HNNXBMFYSA-N 2 0 279.428 1.614 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247924689 377182186 /nfs/dbraw/zinc/18/21/86/377182186.db2.gz BLYGZXCEBIXAGW-SOUVJXGZSA-N 2 0 252.402 1.730 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000563809269 378176493 /nfs/dbraw/zinc/17/64/93/378176493.db2.gz UTYGHPHYZXNLHW-OLZOCXBDSA-N 2 0 282.432 1.452 20 30 CDEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343929308 379021632 /nfs/dbraw/zinc/02/16/32/379021632.db2.gz JCBVPEFQQRDNAN-ULQDDVLXSA-N 2 0 295.471 1.271 20 30 CDEDRP C=CCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343930102 379022035 /nfs/dbraw/zinc/02/20/35/379022035.db2.gz XMMXQASTCONGLJ-HOTGVXAUSA-N 2 0 265.445 1.910 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000237594407 390857312 /nfs/dbraw/zinc/85/73/12/390857312.db2.gz OMDGMYFDQGVKDQ-CABCVRRESA-N 2 0 293.455 1.779 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H](C)C[NH3+])C(C)C ZINC000417060340 391341841 /nfs/dbraw/zinc/34/18/41/391341841.db2.gz JVNIOZCGPWPVGM-KBPBESRZSA-N 2 0 282.432 1.331 20 30 CDEDRP C[C@@H](CCC#N)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000411739073 391516961 /nfs/dbraw/zinc/51/69/61/391516961.db2.gz VSJXJWHPNJNFKX-AWEZNQCLSA-N 2 0 254.422 1.494 20 30 CDEDRP C=CCN(C)CC[N@@H+](CC)CCN1CCOC[C@@H]1C ZINC000411652672 391495048 /nfs/dbraw/zinc/49/50/48/391495048.db2.gz XLRVPRKBASINKW-HNNXBMFYSA-N 2 0 269.433 1.147 20 30 CDEDRP CN(C)C(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190536588 262183910 /nfs/dbraw/zinc/18/39/10/262183910.db2.gz MWPIVIZNHCXDOU-HNNXBMFYSA-N 2 0 290.411 1.154 20 30 CDEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353392460 279313700 /nfs/dbraw/zinc/31/37/00/279313700.db2.gz ZPFPVAQYLQXKAU-KDOFPFPSSA-N 2 0 298.434 1.771 20 30 CDEDRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC000574755547 295049097 /nfs/dbraw/zinc/04/90/97/295049097.db2.gz URNDWYDQYYOXKX-LBPRGKRZSA-N 2 0 279.359 1.926 20 30 CDEDRP CN(C)C(=[NH+]CC1([NH+](C)C)Cc2ccccc2C1)N(C)C ZINC000262551296 328150597 /nfs/dbraw/zinc/15/05/97/328150597.db2.gz YHMBOLVYQXMERJ-UHFFFAOYSA-N 2 0 288.439 1.565 20 30 CDEDRP C[NH+]1CCC(O)(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000329508329 328561955 /nfs/dbraw/zinc/56/19/55/328561955.db2.gz JGYFPLSIWRMEKB-CQSZACIVSA-N 2 0 295.427 1.274 20 30 CDEDRP C[C@H](CC[NH2+]C[C@H](O)CN(C)CCC#N)[NH+]1CCCCC1 ZINC000564872952 327061736 /nfs/dbraw/zinc/06/17/36/327061736.db2.gz JULXGPAGHVHNSE-CVEARBPZSA-N 2 0 296.459 1.047 20 30 CDEDRP CC(C)[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)N1CC[NH+](C)CC1 ZINC000185773123 329331511 /nfs/dbraw/zinc/33/15/11/329331511.db2.gz ABRYRAFXLKQKMQ-ULQDDVLXSA-N 2 0 292.471 1.930 20 30 CDEDRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC2=[NH+]CCN2C)C1 ZINC000262475917 330016147 /nfs/dbraw/zinc/01/61/47/330016147.db2.gz CBOFLQULDPSJJG-CHWSQXEVSA-N 2 0 266.433 1.634 20 30 CDEDRP C#CCNC(NC[C@]1([NH+](C)C)CCC[C@H](C)C1)=[NH+]C ZINC000262631760 330023559 /nfs/dbraw/zinc/02/35/59/330023559.db2.gz LDCAOUOBOQVQOH-ZFWWWQNUSA-N 2 0 264.417 1.295 20 30 CDEDRP C[N@@H+]1CCC[C@@H](CCNC(=[NH2+])N2CCSCC2)C1 ZINC000263050447 330040765 /nfs/dbraw/zinc/04/07/65/330040765.db2.gz DKIKTTNQBQMUBJ-LBPRGKRZSA-N 2 0 270.446 1.082 20 30 CDEDRP [NH2+]=C(NCCN1C[C@H]2CC[C@@H](C1)O2)NC1CCCCCC1 ZINC000263194007 330048589 /nfs/dbraw/zinc/04/85/89/330048589.db2.gz WDALCUDTOLFBOX-GASCZTMLSA-N 2 0 294.443 1.477 20 30 CDEDRP C#CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C1CC1 ZINC000491099325 332149547 /nfs/dbraw/zinc/14/95/47/332149547.db2.gz AOJRKKYMEWRFPS-UHFFFAOYSA-N 2 0 263.429 1.500 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)OCCC[NH+]2CCCCC2)CC1 ZINC000491726369 332309913 /nfs/dbraw/zinc/30/99/13/332309913.db2.gz JIBCHRIKDQUGJB-UHFFFAOYSA-N 2 0 292.423 1.751 20 30 CDEDRP C=CCC[C@@H](C)[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001752097693 1159421126 /nfs/dbraw/zinc/42/11/26/1159421126.db2.gz ADLONMAYPITSTQ-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000067671786 521691605 /nfs/dbraw/zinc/69/16/05/521691605.db2.gz AZKKHXHPCQBDSJ-HNNXBMFYSA-N 2 0 286.423 1.674 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000348785215 526442495 /nfs/dbraw/zinc/44/24/95/526442495.db2.gz DXOZTICQPOWAHA-CQSZACIVSA-N 2 0 267.417 1.339 20 30 CDEDRP C#CCCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000766925064 576146640 /nfs/dbraw/zinc/14/66/40/576146640.db2.gz WJDGOHAOFSQFCW-UHFFFAOYSA-N 2 0 277.456 1.890 20 30 CDEDRP C#CCC[NH+]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000981369470 613002527 /nfs/dbraw/zinc/00/25/27/613002527.db2.gz MLPGOYAUAOEPQV-MRXNPFEDSA-N 2 0 291.439 1.418 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947935520 613025603 /nfs/dbraw/zinc/02/56/03/613025603.db2.gz QSTSQUOEXGCJJI-CABCVRRESA-N 2 0 289.423 1.075 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CC)CC1 ZINC000960220495 613128423 /nfs/dbraw/zinc/12/84/23/613128423.db2.gz ANRNUXOJAACTIE-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC000942288193 613272493 /nfs/dbraw/zinc/27/24/93/613272493.db2.gz PMJBSSSYOIJLAJ-BBRMVZONSA-N 2 0 296.374 1.408 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981525830 613347758 /nfs/dbraw/zinc/34/77/58/613347758.db2.gz ZWWDYMFHNIYOML-CABCVRRESA-N 2 0 279.428 1.675 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000969723386 613348904 /nfs/dbraw/zinc/34/89/04/613348904.db2.gz XPJZJZHWBVNTSH-SOUVJXGZSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC000962131922 613562637 /nfs/dbraw/zinc/56/26/37/613562637.db2.gz APWCMWKXHUMTFX-QLPKVWCKSA-N 2 0 291.439 1.341 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000971843068 613617331 /nfs/dbraw/zinc/61/73/31/613617331.db2.gz FTEQKWLQSMPVDD-HZPDHXFCSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000969950097 613661338 /nfs/dbraw/zinc/66/13/38/613661338.db2.gz SGMGJIJMOFHJDI-CQSZACIVSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942257171 613741183 /nfs/dbraw/zinc/74/11/83/613741183.db2.gz KLCPOSKXCVIPMM-HUUCEWRRSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000947853749 613742934 /nfs/dbraw/zinc/74/29/34/613742934.db2.gz VYQFQFGCQXCQCB-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000943332972 613780994 /nfs/dbraw/zinc/78/09/94/613780994.db2.gz GSOLEZDSKVXFDM-ZBFHGGJFSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+]C1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC000964391499 613859184 /nfs/dbraw/zinc/85/91/84/613859184.db2.gz AYJUEIPUZJGYFE-UHFFFAOYSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000970270077 613866572 /nfs/dbraw/zinc/86/65/72/613866572.db2.gz GWPVBGXMPJUNFY-MRXNPFEDSA-N 2 0 287.407 1.738 20 30 CDEDRP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000894218590 618730354 /nfs/dbraw/zinc/73/03/54/618730354.db2.gz HGHGZUZQGIBTKH-HUUCEWRRSA-N 2 0 252.402 1.899 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000908436812 628199739 /nfs/dbraw/zinc/19/97/39/628199739.db2.gz VOXBXIYVNLSNAQ-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000911872563 629574678 /nfs/dbraw/zinc/57/46/78/629574678.db2.gz ZBAJBSZIJOJLIR-CHWSQXEVSA-N 2 0 255.406 1.502 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000911864939 629577537 /nfs/dbraw/zinc/57/75/37/629577537.db2.gz WEJRUVPRMAEPGY-AWEZNQCLSA-N 2 0 267.417 1.518 20 30 CDEDRP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001754246335 1159000586 /nfs/dbraw/zinc/00/05/86/1159000586.db2.gz ZDDKCAAUHUXBKC-CJNGLKHVSA-N 2 0 299.434 1.869 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129442784 1162474892 /nfs/dbraw/zinc/47/48/92/1162474892.db2.gz GDLCOSDZBLVLSU-HNNXBMFYSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130171258 1162564427 /nfs/dbraw/zinc/56/44/27/1162564427.db2.gz LJICAFQGWVZJDJ-OAHLLOKOSA-N 2 0 293.455 1.923 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130419079 1162626280 /nfs/dbraw/zinc/62/62/80/1162626280.db2.gz KJVUFJLMAQCJAY-UHFFFAOYSA-N 2 0 261.797 1.175 20 30 CDEDRP CC#CC[NH2+]C1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001266911985 1158981727 /nfs/dbraw/zinc/98/17/27/1158981727.db2.gz QJSGRUXDJTYEDD-YMAMQOFZSA-N 2 0 279.428 1.367 20 30 CDEDRP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001754707999 1159436331 /nfs/dbraw/zinc/43/63/31/1159436331.db2.gz LZABQPUXPJSZHL-OAHLLOKOSA-N 2 0 267.417 1.342 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001132737891 1163458788 /nfs/dbraw/zinc/45/87/88/1163458788.db2.gz RWXIOVJUVBSIOW-HNNXBMFYSA-N 2 0 281.444 1.780 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155630612 1167269264 /nfs/dbraw/zinc/26/92/64/1167269264.db2.gz CRBJIUGVXGSSMY-OAHLLOKOSA-N 2 0 293.455 1.568 20 30 CDEDRP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001752470560 1184867344 /nfs/dbraw/zinc/86/73/44/1184867344.db2.gz HHZQUMILQPUYEX-HZPDHXFCSA-N 2 0 291.439 1.224 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001752636591 1184886747 /nfs/dbraw/zinc/88/67/47/1184886747.db2.gz UQBYXJXUQPAEBK-MGPQQGTHSA-N 2 0 265.401 1.284 20 30 CDEDRP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001752970712 1184980014 /nfs/dbraw/zinc/98/00/14/1184980014.db2.gz DUWCMDOLMGAFFY-KGLIPLIRSA-N 2 0 277.412 1.121 20 30 CDEDRP C=C(C)C[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001753232783 1185126002 /nfs/dbraw/zinc/12/60/02/1185126002.db2.gz LJZIBBZWKZUKFS-UHFFFAOYSA-N 2 0 269.433 1.588 20 30 CDEDRP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001753241597 1185128604 /nfs/dbraw/zinc/12/86/04/1185128604.db2.gz BSWDTSDRJPZMDB-OAHLLOKOSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001753437047 1185207307 /nfs/dbraw/zinc/20/73/07/1185207307.db2.gz RICOCOYAVDIONG-LSDHHAIUSA-N 2 0 299.434 1.775 20 30 CDEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001753664355 1185292509 /nfs/dbraw/zinc/29/25/09/1185292509.db2.gz TYVFDPMYXQXOQE-HUUCEWRRSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001753809078 1185341999 /nfs/dbraw/zinc/34/19/99/1185341999.db2.gz JKCNXWCUIIJVKQ-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001754523791 1185657282 /nfs/dbraw/zinc/65/72/82/1185657282.db2.gz IJGYXLVMRMHATC-UHFFFAOYSA-N 2 0 279.428 1.533 20 30 CDEDRP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001754704767 1185711427 /nfs/dbraw/zinc/71/14/27/1185711427.db2.gz PBCCCPOQKFTOPJ-HNNXBMFYSA-N 2 0 267.417 1.342 20 30 CDEDRP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001755241791 1185872171 /nfs/dbraw/zinc/87/21/71/1185872171.db2.gz HVCAJDAKGSSFPG-STQMWFEESA-N 2 0 298.390 1.762 20 30 CDEDRP CC#CC[N@H+](C)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001755329246 1185919436 /nfs/dbraw/zinc/91/94/36/1185919436.db2.gz XMRYJPCKLMKEOE-MRXNPFEDSA-N 2 0 293.455 1.712 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001755724777 1186048026 /nfs/dbraw/zinc/04/80/26/1186048026.db2.gz XZJJQAAOCSIVBS-CHWSQXEVSA-N 2 0 253.390 1.093 20 30 CDEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001755851569 1186089566 /nfs/dbraw/zinc/08/95/66/1186089566.db2.gz XYEGPAFAUCVYGM-AWEZNQCLSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001114467285 1165198062 /nfs/dbraw/zinc/19/80/62/1165198062.db2.gz WCPCKZPSRVBYKM-XUWVNRHRSA-N 2 0 291.439 1.483 20 30 CDEDRP C[NH+]1CCC2(CCC[N@H+](CCOCCC#N)C2)CC1 ZINC000815107866 844038748 /nfs/dbraw/zinc/03/87/48/844038748.db2.gz VKMDMXXLSUOGDB-UHFFFAOYSA-N 2 0 265.401 1.724 20 30 CDEDRP C#CCN(C(=O)c1ccc2c[nH+]cn2c1)C1CC[NH+](C)CC1 ZINC000886575949 844042951 /nfs/dbraw/zinc/04/29/51/844042951.db2.gz QBJHSKSUHOFETO-UHFFFAOYSA-N 2 0 296.374 1.504 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001050063574 844065670 /nfs/dbraw/zinc/06/56/70/844065670.db2.gz QKOFOAAIOCABHO-GOEBONIOSA-N 2 0 291.439 1.580 20 30 CDEDRP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001026516364 844332190 /nfs/dbraw/zinc/33/21/90/844332190.db2.gz ZLXJSRJJLBVKSC-NRXISQOPSA-N 2 0 277.412 1.121 20 30 CDEDRP CCNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000303788763 844412800 /nfs/dbraw/zinc/41/28/00/844412800.db2.gz UQHDXWCPYMDJRG-CYBMUJFWSA-N 2 0 254.422 1.811 20 30 CDEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002127324 844498162 /nfs/dbraw/zinc/49/81/62/844498162.db2.gz QWLCJYOWQPWTDN-INIZCTEOSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001031916590 844626798 /nfs/dbraw/zinc/62/67/98/844626798.db2.gz BTKQQLQWVZPHLE-MRXNPFEDSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001022808106 843049643 /nfs/dbraw/zinc/04/96/43/843049643.db2.gz PXEKBIJGNSERRG-ZNMIVQPWSA-N 2 0 277.412 1.119 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000804526515 843090192 /nfs/dbraw/zinc/09/01/92/843090192.db2.gz IFDXQDJXHFNJIR-XHSDSOJGSA-N 2 0 289.423 1.169 20 30 CDEDRP CC[C@@H](C)NC(=[NH2+])NCCC[N@@H+]1CCCC[C@H]1C ZINC000303256573 843122433 /nfs/dbraw/zinc/12/24/33/843122433.db2.gz IEWAWVOOYRRTSS-CHWSQXEVSA-N 2 0 254.422 1.954 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001034503751 843152295 /nfs/dbraw/zinc/15/22/95/843152295.db2.gz RDWLPUPBVZMIQX-CQSZACIVSA-N 2 0 288.395 1.255 20 30 CDEDRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000923420280 843299754 /nfs/dbraw/zinc/29/97/54/843299754.db2.gz HKKWGJAGPZBAKL-BPLDGKMQSA-N 2 0 289.379 1.013 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001049889093 843312652 /nfs/dbraw/zinc/31/26/52/843312652.db2.gz BNPQGZRXNQFTEL-BZUAXINKSA-N 2 0 291.439 1.580 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(C(C)C)CC1 ZINC000304847894 843419073 /nfs/dbraw/zinc/41/90/73/843419073.db2.gz OVGCHMLDUWHXPQ-CYBMUJFWSA-N 2 0 266.433 1.811 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033225038 843419193 /nfs/dbraw/zinc/41/91/93/843419193.db2.gz CJNPYYLWKUDAAQ-HNNXBMFYSA-N 2 0 291.439 1.724 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009228426 843448114 /nfs/dbraw/zinc/44/81/14/843448114.db2.gz XOMDWZYNWIUHLM-AWEZNQCLSA-N 2 0 277.412 1.239 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001033689707 843645958 /nfs/dbraw/zinc/64/59/58/843645958.db2.gz GQTFZHQJVJXVKX-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C[C@@H](CNC(=[NH2+])NCCc1ccccc1)C[NH+]1CCCC1 ZINC000303892375 843732442 /nfs/dbraw/zinc/73/24/42/843732442.db2.gz RDVRNQQGVBDGBY-HNNXBMFYSA-N 2 0 288.439 1.865 20 30 CDEDRP C[C@@H]([NH2+]CCNc1ccc(C#N)cn1)C1CC[NH+](C)CC1 ZINC000927164696 843839673 /nfs/dbraw/zinc/83/96/73/843839673.db2.gz LJCCXNNRNPUDPB-CYBMUJFWSA-N 2 0 287.411 1.685 20 30 CDEDRP C[NH+]1CCN(C2CC[NH+](CCCCC#N)CC2)CC1 ZINC000879592023 843840594 /nfs/dbraw/zinc/84/05/94/843840594.db2.gz CFEZQPILPKCXTO-UHFFFAOYSA-N 2 0 264.417 1.392 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1CC ZINC001037957169 843870047 /nfs/dbraw/zinc/87/00/47/843870047.db2.gz FRZBJZKDRMNBMF-LSDHHAIUSA-N 2 0 291.439 1.485 20 30 CDEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000834494953 843870875 /nfs/dbraw/zinc/87/08/75/843870875.db2.gz RJMRMEXASGRXCE-KFWWJZLASA-N 2 0 292.427 1.292 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996299939 843890730 /nfs/dbraw/zinc/89/07/30/843890730.db2.gz HDCKINABNVCWGE-KBPBESRZSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032129433 843901017 /nfs/dbraw/zinc/90/10/17/843901017.db2.gz XZGPETNXVFBIQZ-HUUCEWRRSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001021091062 844666016 /nfs/dbraw/zinc/66/60/16/844666016.db2.gz RIXDFDLQKVBQAE-AJNGGQMLSA-N 2 0 279.428 1.672 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001049369347 844711065 /nfs/dbraw/zinc/71/10/65/844711065.db2.gz NGFHBIUQUCUHDN-RRFJBIMHSA-N 2 0 277.412 1.332 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015387504 844920091 /nfs/dbraw/zinc/92/00/91/844920091.db2.gz LWKNGHNIEAZQRU-HOTGVXAUSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000985645749 845011710 /nfs/dbraw/zinc/01/17/10/845011710.db2.gz DIKHEAPPPQGQDK-UHFFFAOYSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC)CC2 ZINC001016671233 845048179 /nfs/dbraw/zinc/04/81/79/845048179.db2.gz VNNULEXTILRJSN-LSDHHAIUSA-N 2 0 289.423 1.075 20 30 CDEDRP CC(C)[C@H](CNC(=[NH2+])N1CCCCC1)N1CC[NH+](C)CC1 ZINC000303785961 845095568 /nfs/dbraw/zinc/09/55/68/845095568.db2.gz QWECDCOYETTXRM-HNNXBMFYSA-N 2 0 295.475 1.059 20 30 CDEDRP CC[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)[NH+]1CCCC1 ZINC000303906059 845103223 /nfs/dbraw/zinc/10/32/23/845103223.db2.gz VVMCSCGHZJEXNR-HUUCEWRRSA-N 3 0 295.475 1.249 20 30 CDEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997517184 845176831 /nfs/dbraw/zinc/17/68/31/845176831.db2.gz VRNYRDKNBFSVEQ-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001045390013 845196007 /nfs/dbraw/zinc/19/60/07/845196007.db2.gz NALDERBDPONSMF-AWEZNQCLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995549168 845277541 /nfs/dbraw/zinc/27/75/41/845277541.db2.gz ACOVYLJSSBQMFC-UONOGXRCSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033551707 845283430 /nfs/dbraw/zinc/28/34/30/845283430.db2.gz PIDPPNDGNAEDCO-INIZCTEOSA-N 2 0 293.455 1.826 20 30 CDEDRP COc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1C#N ZINC000087824041 845288211 /nfs/dbraw/zinc/28/82/11/845288211.db2.gz NPVVOMYAWLEQMV-UHFFFAOYSA-N 2 0 273.380 1.998 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001027575786 845296423 /nfs/dbraw/zinc/29/64/23/845296423.db2.gz DVZIACPDUYTGNO-HUUCEWRRSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001016340249 845298258 /nfs/dbraw/zinc/29/82/58/845298258.db2.gz VXABSBCCMWFGSD-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001049841080 845313630 /nfs/dbraw/zinc/31/36/30/845313630.db2.gz QOCPUQWNKOHFDJ-OWCLPIDISA-N 2 0 291.439 1.580 20 30 CDEDRP C[C@H](CNC(=[NH2+])NCC1CCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000261979137 845332765 /nfs/dbraw/zinc/33/27/65/845332765.db2.gz HFPCKEBIPVOMRW-QWHCGFSZSA-N 2 0 266.433 1.811 20 30 CDEDRP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034130528 845472694 /nfs/dbraw/zinc/47/26/94/845472694.db2.gz IEDQRAAAJIXQQS-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001002829009 845484107 /nfs/dbraw/zinc/48/41/07/845484107.db2.gz QCIISTUKADQFEF-MRXNPFEDSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001027979981 845523810 /nfs/dbraw/zinc/52/38/10/845523810.db2.gz JYXMCHYSCYREID-KGLIPLIRSA-N 2 0 288.395 1.212 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CCCN3C)CCC[C@H]12 ZINC000992110501 845526755 /nfs/dbraw/zinc/52/67/55/845526755.db2.gz HYIDLDCHUMKGRK-VYDXJSESSA-N 2 0 291.439 1.770 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001052499307 845569325 /nfs/dbraw/zinc/56/93/25/845569325.db2.gz SUIOPUFXBCQYJB-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001143368 845577246 /nfs/dbraw/zinc/57/72/46/845577246.db2.gz GNARXALMYJSOOJ-HIFRSBDPSA-N 2 0 277.412 1.118 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000813519948 845648261 /nfs/dbraw/zinc/64/82/61/845648261.db2.gz CFLIWAOLQAOEDC-GDBMZVCRSA-N 2 0 289.423 1.912 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996608905 845730839 /nfs/dbraw/zinc/73/08/39/845730839.db2.gz HUTHXPYXLFXFNO-ZIAGYGMSSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000999493408 845756080 /nfs/dbraw/zinc/75/60/80/845756080.db2.gz FYAFMXMESINOME-QWHCGFSZSA-N 2 0 287.835 1.660 20 30 CDEDRP C=C(C)C[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001026606319 845808081 /nfs/dbraw/zinc/80/80/81/845808081.db2.gz WPFRCLBQRMIXLY-UHFFFAOYSA-N 2 0 279.428 1.675 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001009518728 845837414 /nfs/dbraw/zinc/83/74/14/845837414.db2.gz SUEKFAWLQHTFLC-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000104168029 845897880 /nfs/dbraw/zinc/89/78/80/845897880.db2.gz LGLMJPDUUYGPGV-OLZOCXBDSA-N 2 0 252.406 1.587 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NCC1(N(C)C)CC1 ZINC000849043805 845932111 /nfs/dbraw/zinc/93/21/11/845932111.db2.gz VWNGQHWRZRFGKA-UHFFFAOYSA-N 2 0 250.346 1.039 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1scnc1C ZINC000104193706 845937600 /nfs/dbraw/zinc/93/76/00/845937600.db2.gz CEWAWPIIZOQPBW-NSHDSACASA-N 2 0 281.429 1.340 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000997094851 845978475 /nfs/dbraw/zinc/97/84/75/845978475.db2.gz VZLPDNQPBSZTTH-HZPDHXFCSA-N 2 0 291.439 1.770 20 30 CDEDRP C[NH+]=C(NCCCCCCC[NH+](C)C)NC1CC1 ZINC000848998205 845998156 /nfs/dbraw/zinc/99/81/56/845998156.db2.gz FBZVPFLOSCBTBJ-UHFFFAOYSA-N 2 0 254.422 1.826 20 30 CDEDRP C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001017880672 846003984 /nfs/dbraw/zinc/00/39/84/846003984.db2.gz JEPYVIHGTLBHBD-GASCZTMLSA-N 2 0 277.412 1.189 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001021094543 846043528 /nfs/dbraw/zinc/04/35/28/846043528.db2.gz RUVKVNSRGDHONV-MGPQQGTHSA-N 2 0 299.846 1.850 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027332663 846090248 /nfs/dbraw/zinc/09/02/48/846090248.db2.gz QGRIKCOPUKGCID-KGLIPLIRSA-N 2 0 265.401 1.189 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001014709029 846144358 /nfs/dbraw/zinc/14/43/58/846144358.db2.gz YTRKZWQWPFRZPR-CVEARBPZSA-N 2 0 291.439 1.178 20 30 CDEDRP CCN(CC)C(=[NH2+])NCCC1CC[NH+](CC)CC1 ZINC000304747855 846177455 /nfs/dbraw/zinc/17/74/55/846177455.db2.gz GRXWMFSFWJTMKM-UHFFFAOYSA-N 2 0 254.422 1.765 20 30 CDEDRP C=C(C)CCN1CC(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001031431633 846237075 /nfs/dbraw/zinc/23/70/75/846237075.db2.gz QZMRMEUFVIOOKD-KBPBESRZSA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001029003203 846243241 /nfs/dbraw/zinc/24/32/41/846243241.db2.gz INMLUDPUCYEGSJ-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001026464486 846279809 /nfs/dbraw/zinc/27/98/09/846279809.db2.gz IYJPERVALQGTOI-JXQTWKCFSA-N 2 0 265.401 1.284 20 30 CDEDRP C=C(C)C[NH+]1CCC(N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925609071 846283597 /nfs/dbraw/zinc/28/35/97/846283597.db2.gz OKFXLWVCFHGMFM-AYIQCDPPSA-N 2 0 275.440 1.613 20 30 CDEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001035732632 846322409 /nfs/dbraw/zinc/32/24/09/846322409.db2.gz HOMQHGSTSIDTNI-OAHLLOKOSA-N 2 0 289.423 1.028 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)Cn2ccnc2)C1 ZINC000999912016 846360404 /nfs/dbraw/zinc/36/04/04/846360404.db2.gz ITRJKELAJLPNOO-UHFFFAOYSA-N 2 0 282.775 1.215 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000987354924 846384981 /nfs/dbraw/zinc/38/49/81/846384981.db2.gz GDXBWTQKRLLAHM-ZIAGYGMSSA-N 2 0 277.412 1.237 20 30 CDEDRP C[NH+](C)CC1(O)CC[NH+](CCC(C)(C)C#N)CC1 ZINC000710561435 846390284 /nfs/dbraw/zinc/39/02/84/846390284.db2.gz JBRUYMFCXAOCJG-UHFFFAOYSA-N 2 0 253.390 1.315 20 30 CDEDRP C#CCC[NH+]1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000776594455 846408311 /nfs/dbraw/zinc/40/83/11/846408311.db2.gz HHRSVOBTRRNQHN-UHFFFAOYSA-N 2 0 263.429 1.359 20 30 CDEDRP CCCC[N@H+](C)CCNC(=[NH2+])NC[C@@H]1CCC[NH+]1CC ZINC000304764877 846526188 /nfs/dbraw/zinc/52/61/88/846526188.db2.gz YPOXHAURFCMBDW-AWEZNQCLSA-N 3 0 283.464 1.107 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001036895700 846646643 /nfs/dbraw/zinc/64/66/43/846646643.db2.gz CRTVGAGMDNZJNW-GJZGRUSLSA-N 2 0 277.412 1.191 20 30 CDEDRP CC#CCN1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001008530289 846684027 /nfs/dbraw/zinc/68/40/27/846684027.db2.gz IPVNHXCQAHJQNB-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046317524 846745129 /nfs/dbraw/zinc/74/51/29/846745129.db2.gz HSJVXIZVZZWXCG-DOTOQJQBSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCC[C@H]1C ZINC001032627326 846786431 /nfs/dbraw/zinc/78/64/31/846786431.db2.gz VFQJBEIEGLAUEV-PMPSAXMXSA-N 2 0 291.439 1.722 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001072982079 846920299 /nfs/dbraw/zinc/92/02/99/846920299.db2.gz YVCLRKDZQVMMDP-GJZGRUSLSA-N 2 0 291.439 1.295 20 30 CDEDRP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034207695 846975870 /nfs/dbraw/zinc/97/58/70/846975870.db2.gz NQXUYLHFTATWAS-CVEARBPZSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001044873374 846995252 /nfs/dbraw/zinc/99/52/52/846995252.db2.gz YCWNOGCYIAHAPO-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989669374 847006019 /nfs/dbraw/zinc/00/60/19/847006019.db2.gz CRMYTSHIIXJFMY-UHFFFAOYSA-N 2 0 265.401 1.193 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052932366 847023186 /nfs/dbraw/zinc/02/31/86/847023186.db2.gz MUZVZFGCFLFBDW-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027651887 847034310 /nfs/dbraw/zinc/03/43/10/847034310.db2.gz NUIWBEZQEHULFK-AWEZNQCLSA-N 2 0 277.412 1.191 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001000992612 847043248 /nfs/dbraw/zinc/04/32/48/847043248.db2.gz NIVLGZONTRDNFI-KRWDZBQOSA-N 2 0 299.418 1.576 20 30 CDEDRP CC[NH+]=C(NCC1(C)CC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262000665 847081212 /nfs/dbraw/zinc/08/12/12/847081212.db2.gz UIAFYZQXQAGZKK-GXTWGEPZSA-N 2 0 278.444 1.824 20 30 CDEDRP C#CC[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC000996378463 847103297 /nfs/dbraw/zinc/10/32/97/847103297.db2.gz HJOLGCXBOCTTPF-HNNXBMFYSA-N 2 0 291.439 1.178 20 30 CDEDRP CC[C@H](C)NC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000303365992 847121599 /nfs/dbraw/zinc/12/15/99/847121599.db2.gz GZZGTAKPOWJYBQ-STQMWFEESA-N 2 0 254.422 1.810 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@H](C(CC)CC)[NH+](C)C ZINC000303788120 847190621 /nfs/dbraw/zinc/19/06/21/847190621.db2.gz TXBBWVDJNSXJRA-CYBMUJFWSA-N 2 0 254.422 1.833 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ccnc1 ZINC001049927823 847192949 /nfs/dbraw/zinc/19/29/49/847192949.db2.gz OBMPCMGNXTZYHP-GJZGRUSLSA-N 2 0 288.395 1.525 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC000999506164 847298819 /nfs/dbraw/zinc/29/88/19/847298819.db2.gz YYCSDOWCAFPSSX-ZDUSSCGKSA-N 2 0 284.363 1.943 20 30 CDEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001006402540 847311173 /nfs/dbraw/zinc/31/11/73/847311173.db2.gz XNLFMWUQGNVHCS-AWEZNQCLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000997362574 847377723 /nfs/dbraw/zinc/37/77/23/847377723.db2.gz AHDVGZLBPFDUCQ-UHFFFAOYSA-N 2 0 279.428 1.629 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001023273522 847431702 /nfs/dbraw/zinc/43/17/02/847431702.db2.gz NLPIQTZKOWFRHT-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033080568 847561583 /nfs/dbraw/zinc/56/15/83/847561583.db2.gz FSCHYQPJKWBMDQ-HOTGVXAUSA-N 2 0 291.439 1.415 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC)C(C)(C)C2)CC1 ZINC000996670809 847574087 /nfs/dbraw/zinc/57/40/87/847574087.db2.gz KZEBNIGRXGFGBL-HNNXBMFYSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034394212 847809273 /nfs/dbraw/zinc/80/92/73/847809273.db2.gz KBPAVUUIOSWMLH-HNNXBMFYSA-N 2 0 291.439 1.322 20 30 CDEDRP CC[NH+]1CCC(CCNC(NC2CC2)=[NH+]C)CC1 ZINC000849007540 847884078 /nfs/dbraw/zinc/88/40/78/847884078.db2.gz XHBAWCZTXVCXEP-UHFFFAOYSA-N 2 0 252.406 1.436 20 30 CDEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052527029 847890919 /nfs/dbraw/zinc/89/09/19/847890919.db2.gz POFRIRZVGBIKFX-OAHLLOKOSA-N 2 0 291.439 1.772 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001038393910 847928159 /nfs/dbraw/zinc/92/81/59/847928159.db2.gz LNLXKQYTXQHWPH-OAHLLOKOSA-N 2 0 289.423 1.076 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014412060 847941554 /nfs/dbraw/zinc/94/15/54/847941554.db2.gz FIPNINVKLCIBKD-ZIAGYGMSSA-N 2 0 265.401 1.236 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038464866 847966074 /nfs/dbraw/zinc/96/60/74/847966074.db2.gz HIFAUQKCNZJLDG-AWEZNQCLSA-N 2 0 284.363 1.715 20 30 CDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+](C)C ZINC000876712429 847997744 /nfs/dbraw/zinc/99/77/44/847997744.db2.gz RGRSXYAIBFXXDJ-CQSZACIVSA-N 2 0 295.814 1.834 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001502754816 1167774558 /nfs/dbraw/zinc/77/45/58/1167774558.db2.gz XJYGUAJTFWAFST-YPMHNXCESA-N 2 0 287.835 1.517 20 30 CDEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001175108539 913448600 /nfs/dbraw/zinc/44/86/00/913448600.db2.gz SIGQGNBBYVSHLE-HZPDHXFCSA-N 2 0 295.471 1.861 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001106515782 913988908 /nfs/dbraw/zinc/98/89/08/913988908.db2.gz CKHZRXKHKYTQBO-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001106673626 914122900 /nfs/dbraw/zinc/12/29/00/914122900.db2.gz JFOONWYSCSINLO-OAGGEKHMSA-N 2 0 295.471 1.977 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001167636690 897127786 /nfs/dbraw/zinc/12/77/86/897127786.db2.gz YAFRGUCJBKUBPZ-HNNXBMFYSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884911 914340048 /nfs/dbraw/zinc/34/00/48/914340048.db2.gz VLMDSZFGIBMCLG-UHFFFAOYSA-N 2 0 281.444 1.925 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001088109468 906325676 /nfs/dbraw/zinc/32/56/76/906325676.db2.gz HHXLVBCDVTXTLZ-ILXRZTDVSA-N 2 0 279.428 1.293 20 30 CDEDRP CN(C)/C=[NH+]/c1ccc(N[C@H]2C[NH2+]CC[C@H]2F)cc1C#N ZINC001168230966 907951748 /nfs/dbraw/zinc/95/17/48/907951748.db2.gz IYVJDXTUAVTPIE-FLIULEQJSA-N 2 0 289.358 1.892 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001224476291 909633504 /nfs/dbraw/zinc/63/35/04/909633504.db2.gz ANYJLULHLBGCRD-MRXNPFEDSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127082316 911317577 /nfs/dbraw/zinc/31/75/77/911317577.db2.gz POJSOQPKLGBJMQ-ZDUSSCGKSA-N 2 0 253.390 1.141 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179434873 915836400 /nfs/dbraw/zinc/83/64/00/915836400.db2.gz ARSPVNZZVMDENT-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001179591011 915886928 /nfs/dbraw/zinc/88/69/28/915886928.db2.gz NRAHTWFGNUTWND-HOTGVXAUSA-N 2 0 293.455 1.474 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001179585054 915909664 /nfs/dbraw/zinc/90/96/64/915909664.db2.gz BIIRAMBEAFESOR-HUUCEWRRSA-N 2 0 279.428 1.084 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180139060 916152333 /nfs/dbraw/zinc/15/23/33/916152333.db2.gz XSUNMJGFDIRYMK-IHRRRGAJSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127706581 917644167 /nfs/dbraw/zinc/64/41/67/917644167.db2.gz NZQXUQCXALJURX-UONOGXRCSA-N 2 0 267.417 1.389 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530796 918440380 /nfs/dbraw/zinc/44/03/80/918440380.db2.gz LZGXNEKKNIMPFV-NVXWUHKLSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001185030292 919391148 /nfs/dbraw/zinc/39/11/48/919391148.db2.gz KPEBKLVZUCZWSG-JKSUJKDBSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001185516799 919638723 /nfs/dbraw/zinc/63/87/23/919638723.db2.gz NNAWHPUNDXMJOO-CVEARBPZSA-N 2 0 293.455 1.426 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001185550628 919648947 /nfs/dbraw/zinc/64/89/47/919648947.db2.gz WCXFPORGYAXWGE-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001186420124 920027516 /nfs/dbraw/zinc/02/75/16/920027516.db2.gz KGXFXCOIEVFCTH-CVEARBPZSA-N 2 0 293.455 1.567 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001186496317 920040502 /nfs/dbraw/zinc/04/05/02/920040502.db2.gz DICABQVGLFAPIF-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188106954 920838585 /nfs/dbraw/zinc/83/85/85/920838585.db2.gz DYOMVGVQFPCGAW-SOUVJXGZSA-N 2 0 297.418 1.385 20 30 CDEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)C)C1 ZINC001099529366 936790289 /nfs/dbraw/zinc/79/02/89/936790289.db2.gz OTQVTXQONZVVIT-VGWMRTNUSA-N 2 0 291.439 1.293 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192037988 922888278 /nfs/dbraw/zinc/88/82/78/922888278.db2.gz MZSDLDTUABRUPF-AWEZNQCLSA-N 2 0 267.417 1.437 20 30 CDEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045539 922894098 /nfs/dbraw/zinc/89/40/98/922894098.db2.gz FOCALYHBNXOPDC-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP C#CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192407122 923083172 /nfs/dbraw/zinc/08/31/72/923083172.db2.gz RQCWJIJEJDLXFS-OAHLLOKOSA-N 2 0 293.455 1.520 20 30 CDEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192679550 923190766 /nfs/dbraw/zinc/19/07/66/923190766.db2.gz DUHGLBRJUOUAHQ-MRXNPFEDSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001079848525 924442642 /nfs/dbraw/zinc/44/26/42/924442642.db2.gz AGJVNCIFPQAVTD-OWCLPIDISA-N 2 0 293.455 1.872 20 30 CDEDRP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001196295732 924871246 /nfs/dbraw/zinc/87/12/46/924871246.db2.gz PZLXBHMPNLADGA-INIZCTEOSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001082557119 924958360 /nfs/dbraw/zinc/95/83/60/924958360.db2.gz PMAYDAJYEHRTAT-BZUAXINKSA-N 2 0 293.455 1.587 20 30 CDEDRP C=CCN1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001197133973 925051834 /nfs/dbraw/zinc/05/18/34/925051834.db2.gz JSFKPZAHLVZFAV-HNNXBMFYSA-N 2 0 281.444 1.827 20 30 CDEDRP C#CCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@]2(C)C1 ZINC001101443658 936972126 /nfs/dbraw/zinc/97/21/26/936972126.db2.gz NDIGCNVUCPHLPT-WBVHZDCISA-N 2 0 291.439 1.132 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101478454 936973878 /nfs/dbraw/zinc/97/38/78/936973878.db2.gz OQXGFSXYSWHMAF-WBVHZDCISA-N 2 0 293.455 1.683 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084349653 925234552 /nfs/dbraw/zinc/23/45/52/925234552.db2.gz UXDSMTDNBGJKLA-BZUAXINKSA-N 2 0 289.423 1.047 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166687252 925253061 /nfs/dbraw/zinc/25/30/61/925253061.db2.gz LBXLAMVDXFFUDY-HNNXBMFYSA-N 2 0 285.407 1.481 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001084639450 925311632 /nfs/dbraw/zinc/31/16/32/925311632.db2.gz TZGHAKCLJQBKMU-BZUAXINKSA-N 2 0 291.439 1.129 20 30 CDEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001198097817 925324332 /nfs/dbraw/zinc/32/43/32/925324332.db2.gz IOAVOECRSPHFKK-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001085295496 925863629 /nfs/dbraw/zinc/86/36/29/925863629.db2.gz JJSZWJLAFSMIMJ-HUUCEWRRSA-N 2 0 291.439 1.511 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102047841 937039522 /nfs/dbraw/zinc/03/95/22/937039522.db2.gz URSCNLOSYLTRBL-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520424 937063609 /nfs/dbraw/zinc/06/36/09/937063609.db2.gz JNYMCXIVYFCXNI-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001085673068 926272231 /nfs/dbraw/zinc/27/22/31/926272231.db2.gz PEFDFJLEJBQSGH-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001086087195 926682206 /nfs/dbraw/zinc/68/22/06/926682206.db2.gz SINQYGLIRZGMKB-IMJJTQAJSA-N 2 0 291.439 1.389 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001086399756 927080036 /nfs/dbraw/zinc/08/00/36/927080036.db2.gz KXKNBDCLJMAUDQ-YHUYYLMFSA-N 2 0 291.439 1.674 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001086477068 927175222 /nfs/dbraw/zinc/17/52/22/927175222.db2.gz ROCGLWVESPRGSE-ZQDZILKHSA-N 2 0 279.428 1.245 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001086500162 927218481 /nfs/dbraw/zinc/21/84/81/927218481.db2.gz OSZWRIPNXZTARJ-VGWMRTNUSA-N 2 0 291.439 1.674 20 30 CDEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115291538 927780192 /nfs/dbraw/zinc/78/01/92/927780192.db2.gz FSTYWDHQFWZVQP-QLPKVWCKSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653991 928999942 /nfs/dbraw/zinc/99/99/42/928999942.db2.gz QKFLNOXGJWFSQZ-ILXRZTDVSA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673873 929005542 /nfs/dbraw/zinc/00/55/42/929005542.db2.gz SRCCVLVTJAXHMW-ILXRZTDVSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110007050 929102121 /nfs/dbraw/zinc/10/21/21/929102121.db2.gz GXKMFDXJNHIZJL-PMPSAXMXSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001170742649 929670094 /nfs/dbraw/zinc/67/00/94/929670094.db2.gz MNMJMFFOYWFIKJ-HZPDHXFCSA-N 2 0 293.455 1.757 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)C[N@@H+](C)CCCCCC ZINC001135440290 930209723 /nfs/dbraw/zinc/20/97/23/930209723.db2.gz KDWNAGFRDOMYTK-UHFFFAOYSA-N 2 0 267.417 1.228 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135467297 930216475 /nfs/dbraw/zinc/21/64/75/930216475.db2.gz FMHGSZJGVJUSAC-ZIAGYGMSSA-N 2 0 279.428 1.224 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCCC1 ZINC001115698284 937413772 /nfs/dbraw/zinc/41/37/72/937413772.db2.gz XYZDULWYPMWGBL-UHFFFAOYSA-N 2 0 281.444 1.923 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135882232 930497214 /nfs/dbraw/zinc/49/72/14/930497214.db2.gz JKAGXTAAAIBCTI-CHWSQXEVSA-N 2 0 289.851 1.954 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135935643 930549735 /nfs/dbraw/zinc/54/97/35/930549735.db2.gz VQENKHZFDMVAJK-CHWSQXEVSA-N 2 0 288.395 1.267 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1[nH]cnc1C ZINC001136036869 930615096 /nfs/dbraw/zinc/61/50/96/930615096.db2.gz ZKEFXBUFJSSRIM-NEPJUHHUSA-N 2 0 278.400 1.710 20 30 CDEDRP N#Cc1nc(N[C@H]([NH3+])CCC[NH3+])ccc1Br ZINC001170900391 930701908 /nfs/dbraw/zinc/70/19/08/930701908.db2.gz KTEVHLOGYWFLRT-VIFPVBQESA-N 2 0 284.161 1.151 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001091100568 931827969 /nfs/dbraw/zinc/82/79/69/931827969.db2.gz YODWMDWSLSNPJB-RUXDESIVSA-N 2 0 299.846 1.708 20 30 CDEDRP N#Cc1c(N[C@@H]2CCC[C@@H]([NH3+])C2)ncc2c1CCC[NH2+]C2 ZINC001154979218 937616030 /nfs/dbraw/zinc/61/60/30/937616030.db2.gz XKARJQUCEKHYOL-CHWSQXEVSA-N 2 0 285.395 1.671 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](CC)CC ZINC001155900358 937686354 /nfs/dbraw/zinc/68/63/54/937686354.db2.gz OGIONYVHZOGGHB-CQSZACIVSA-N 2 0 269.433 1.731 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120422576 937798789 /nfs/dbraw/zinc/79/87/89/937798789.db2.gz MZHAHDYMHCREKH-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C[NH+](C)CCCC[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001120480878 937802186 /nfs/dbraw/zinc/80/21/86/937802186.db2.gz GKPVXWRWZQLXNH-UHFFFAOYSA-N 2 0 288.395 1.818 20 30 CDEDRP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039471422 935775879 /nfs/dbraw/zinc/77/58/79/935775879.db2.gz XYWPBFDQATVJKY-OAGGEKHMSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001121921629 937890582 /nfs/dbraw/zinc/89/05/82/937890582.db2.gz SFTBRTDBAWFNCX-KBPBESRZSA-N 2 0 265.401 1.271 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC001122065963 937902496 /nfs/dbraw/zinc/90/24/96/937902496.db2.gz IBNVLMZUTSERKK-OLZOCXBDSA-N 2 0 253.390 1.304 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC001122426650 937931185 /nfs/dbraw/zinc/93/11/85/937931185.db2.gz LGAFKUQAVMLDFM-TUAOUCFPSA-N 2 0 251.374 1.056 20 30 CDEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156374538 938359805 /nfs/dbraw/zinc/35/98/05/938359805.db2.gz RKTHQJGUZCORNZ-OAHLLOKOSA-N 2 0 299.459 1.357 20 30 CDEDRP C=CCOc1cc(C)nc(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001157095993 938453386 /nfs/dbraw/zinc/45/33/86/938453386.db2.gz DUSSJWGNBPQVJC-UHFFFAOYSA-N 2 0 278.360 1.025 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001159911365 938759461 /nfs/dbraw/zinc/75/94/61/938759461.db2.gz XHKJFRWNQBLIBA-MRXNPFEDSA-N 2 0 291.439 1.513 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001159910982 938759734 /nfs/dbraw/zinc/75/97/34/938759734.db2.gz VNPFIIZVIKWECI-HNNXBMFYSA-N 2 0 281.444 1.921 20 30 CDEDRP C#C[C@](C)([NH3+])C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161584563 938914697 /nfs/dbraw/zinc/91/46/97/938914697.db2.gz FFSJHCKIKWFKRD-KRWDZBQOSA-N 2 0 297.402 1.001 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ncc(C)cc1C#N ZINC001163123050 939205523 /nfs/dbraw/zinc/20/55/23/939205523.db2.gz WYUCDLHHBXBFOZ-UHFFFAOYSA-N 2 0 274.372 1.540 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001165485588 939567479 /nfs/dbraw/zinc/56/74/79/939567479.db2.gz ZPUGXRAGNULJJB-OAHLLOKOSA-N 2 0 291.439 1.226 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001166626779 939620375 /nfs/dbraw/zinc/62/03/75/939620375.db2.gz JDKOKAOHCRNIDJ-AWEZNQCLSA-N 2 0 267.417 1.533 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001166626990 939620852 /nfs/dbraw/zinc/62/08/52/939620852.db2.gz NOEKMDNEJFCKMR-AWEZNQCLSA-N 2 0 267.417 1.533 20 30 CDEDRP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576978 939694435 /nfs/dbraw/zinc/69/44/35/939694435.db2.gz MBSJSZJFSGTQMC-HUUCEWRRSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCOC(=O)N[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001207403278 940189907 /nfs/dbraw/zinc/18/99/07/940189907.db2.gz SDAKQELWYRTAJA-OAHLLOKOSA-N 2 0 295.427 1.705 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496074 940336055 /nfs/dbraw/zinc/33/60/55/940336055.db2.gz IZNTYJDFRINTMS-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209643153 940622628 /nfs/dbraw/zinc/62/26/28/940622628.db2.gz UTRSGMUIYSYXIH-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211429383 940753582 /nfs/dbraw/zinc/75/35/82/940753582.db2.gz FPSMQYYHZCABQH-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220779063 941471919 /nfs/dbraw/zinc/47/19/19/941471919.db2.gz KADVPUNXHYEPJK-CVEARBPZSA-N 2 0 277.412 1.559 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001226555242 942025127 /nfs/dbraw/zinc/02/51/27/942025127.db2.gz UIDRNAZYRXNADH-HNNXBMFYSA-N 2 0 279.428 1.627 20 30 CDEDRP C[N+](C)(C)C[C@@H](CC#N)Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230517352 942629953 /nfs/dbraw/zinc/62/99/53/942629953.db2.gz ZJUYOBTUCRFGHD-LLVKDONJSA-N 2 0 274.348 1.512 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230592156 942651922 /nfs/dbraw/zinc/65/19/22/942651922.db2.gz TTZSHWKIMRNKTL-MRXNPFEDSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001231225926 942823860 /nfs/dbraw/zinc/82/38/60/942823860.db2.gz KKUUFNSBAXKTNX-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP CC#CCN1CC[C@@H]1CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001234642028 943924865 /nfs/dbraw/zinc/92/48/65/943924865.db2.gz GJWPHOKHVZJKJE-HUUCEWRRSA-N 2 0 297.418 1.222 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235319994 944119821 /nfs/dbraw/zinc/11/98/21/944119821.db2.gz LQOBYMOTJCAQIC-OAHLLOKOSA-N 2 0 293.455 1.970 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccccc1CC#N ZINC001235522404 944185616 /nfs/dbraw/zinc/18/56/16/944185616.db2.gz FQVWVBRBUWWUIV-UHFFFAOYSA-N 2 0 288.439 1.678 20 30 CDEDRP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](CCCC[NH3+])CC2 ZINC001235574771 944207507 /nfs/dbraw/zinc/20/75/07/944207507.db2.gz LJXHUWPXYVKKFK-MRXNPFEDSA-N 2 0 279.428 1.758 20 30 CDEDRP CCCCCCC[C@H](C)NC(=O)N(CC[NH3+])CC[NH3+] ZINC001239289035 945398300 /nfs/dbraw/zinc/39/83/00/945398300.db2.gz ZGJKYUFXPBHSSH-ZDUSSCGKSA-N 2 0 272.437 1.664 20 30 CDEDRP COCCC1([NH3+])CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254647496 947570028 /nfs/dbraw/zinc/57/00/28/947570028.db2.gz GVBRQRCECJNOEG-QWHCGFSZSA-N 2 0 251.374 1.508 20 30 CDEDRP C=C[C@H](COC)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001255013049 947689715 /nfs/dbraw/zinc/68/97/15/947689715.db2.gz GUOYUOUSLCEDBH-OAHLLOKOSA-N 2 0 278.396 1.918 20 30 CDEDRP CCCCCCCC[C@@H](O)C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001245980550 947876371 /nfs/dbraw/zinc/87/63/71/947876371.db2.gz BTUQLIFAZZHBTP-TWMKSMIVSA-N 2 0 298.471 1.922 20 30 CDEDRP N#Cc1coc(C[NH2+]C2CCC([NH+]3CCOCC3)CC2)c1 ZINC001256687894 948394834 /nfs/dbraw/zinc/39/48/34/948394834.db2.gz JWAWFXSLEUQXQB-UHFFFAOYSA-N 2 0 289.379 1.884 20 30 CDEDRP C=C1C[C@@H]2CC([NH2+]CCN(C)CC[NH3+])C[C@H](C1)C2 ZINC001257887725 948656566 /nfs/dbraw/zinc/65/65/66/948656566.db2.gz HEOIJXRXGIXZDE-YIONKMFJSA-N 2 0 251.418 1.601 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001252492040 951362589 /nfs/dbraw/zinc/36/25/89/951362589.db2.gz VKQKBTAAWGVJHC-UYSNPLJNSA-N 2 0 284.444 1.793 20 30 CDEDRP C=C[C@](C)(O)C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001252557410 951450473 /nfs/dbraw/zinc/45/04/73/951450473.db2.gz MHPNORFJIAPTQZ-HNNXBMFYSA-N 2 0 261.369 1.449 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1C[C@@H]2C[NH+](CCC)C[C@H]2C1 ZINC001252604634 951501971 /nfs/dbraw/zinc/50/19/71/951501971.db2.gz WGFKPENISQRCMQ-KKUMJFAQSA-N 2 0 252.402 1.587 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001480597749 971799521 /nfs/dbraw/zinc/79/95/21/971799521.db2.gz UHTZBYTZKGKGLW-ZDUSSCGKSA-N 2 0 287.835 1.709 20 30 CDEDRP Cc1ccc(OC[C@H](O)C[NH2+]CC#CC[NH+](C)C)c(C)c1 ZINC001336770382 960567970 /nfs/dbraw/zinc/56/79/70/960567970.db2.gz IGUWLZZBMRJKFT-MRXNPFEDSA-N 2 0 290.407 1.198 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001436416587 962244839 /nfs/dbraw/zinc/24/48/39/962244839.db2.gz WQWJVRTWXJDKQF-BETUJISGSA-N 2 0 287.835 1.565 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001341892628 963572537 /nfs/dbraw/zinc/57/25/37/963572537.db2.gz IQCIUKZLUOACCJ-STQMWFEESA-N 2 0 265.401 1.461 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCC(C)CC1 ZINC001343378483 963961875 /nfs/dbraw/zinc/96/18/75/963961875.db2.gz RTWGKDCGRRSYMQ-AWEZNQCLSA-N 2 0 267.417 1.518 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001100407673 968264443 /nfs/dbraw/zinc/26/44/43/968264443.db2.gz FIIDTGVJLQPUIU-PESDSKBTSA-N 2 0 279.428 1.387 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001100420585 968292969 /nfs/dbraw/zinc/29/29/69/968292969.db2.gz NTNXXLKXVQPMHR-GPANFISMSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001100535276 968647128 /nfs/dbraw/zinc/64/71/28/968647128.db2.gz WJIBAVGEZHXGTH-BCLQGDPASA-N 2 0 291.439 1.531 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001200651714 968697301 /nfs/dbraw/zinc/69/73/01/968697301.db2.gz ITJDHXTVGMKONQ-JKSUJKDBSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001100562393 968709008 /nfs/dbraw/zinc/70/90/08/968709008.db2.gz LDBWXKJCDDZOHK-UHFFFAOYSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132411254 1163278635 /nfs/dbraw/zinc/27/86/35/1163278635.db2.gz XAWAUZGASZVSOH-UONOGXRCSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001677427141 1174359716 /nfs/dbraw/zinc/35/97/16/1174359716.db2.gz IKRRLMYKAYZUAA-JXQTWKCFSA-N 2 0 267.417 1.338 20 30 CDEDRP CN(Cc1ccc(C#N)cc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000290066052 361987271 /nfs/dbraw/zinc/98/72/71/361987271.db2.gz TUZCWAVWBVLXJN-MRXNPFEDSA-N 2 0 273.380 1.445 20 30 CDEDRP C[C@H]1C[N@H+](CCCCC#N)CCN1C1CC[NH+](C)CC1 ZINC000355035746 365851485 /nfs/dbraw/zinc/85/14/85/365851485.db2.gz VAUDEJFZADYECO-HNNXBMFYSA-N 2 0 278.444 1.781 20 30 CDEDRP COCC[NH+]1CCC(NCc2cccc(C#N)n2)CC1 ZINC000602526628 350118957 /nfs/dbraw/zinc/11/89/57/350118957.db2.gz DUHISQCMJRXQFC-UHFFFAOYSA-N 2 0 274.368 1.154 20 30 CDEDRP C=CC[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000262102259 359134025 /nfs/dbraw/zinc/13/40/25/359134025.db2.gz MDODQPLJQAIUGF-UHFFFAOYSA-N 2 0 287.407 1.497 20 30 CDEDRP C#CCNC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC000120244145 360185474 /nfs/dbraw/zinc/18/54/74/360185474.db2.gz DUZPHHJZRXDFSW-OAHLLOKOSA-N 2 0 293.455 1.568 20 30 CDEDRP CC[NH+](CC)CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000337629331 360296192 /nfs/dbraw/zinc/29/61/92/360296192.db2.gz MTOOTASSUPHJDC-UHFFFAOYSA-N 2 0 268.405 1.022 20 30 CDEDRP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000361458866 368830843 /nfs/dbraw/zinc/83/08/43/368830843.db2.gz IRLGLDJMLXIJMH-BZUAXINKSA-N 2 0 279.428 1.751 20 30 CDEDRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCSCC#N)C1 ZINC000072488973 369072800 /nfs/dbraw/zinc/07/28/00/369072800.db2.gz QIBDYQRHJCLXML-ZDUSSCGKSA-N 2 0 255.431 1.907 20 30 CDEDRP C=CCCC[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420294163 376323315 /nfs/dbraw/zinc/32/33/15/376323315.db2.gz ASKDGBWRUQTNGN-HOTGVXAUSA-N 2 0 262.397 1.815 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@H]2CCC)CC1 ZINC000417529544 377882615 /nfs/dbraw/zinc/88/26/15/377882615.db2.gz PYTMVDSWRCXNPJ-OAHLLOKOSA-N 2 0 294.443 1.420 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000417535043 377893563 /nfs/dbraw/zinc/89/35/63/377893563.db2.gz IMDBLKJTWYBSQQ-CQSZACIVSA-N 2 0 280.416 1.063 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCC[NH2+]C2CC2)CC1 ZINC000417545997 377933449 /nfs/dbraw/zinc/93/34/49/377933449.db2.gz YTYUJMXEGGSGGR-UHFFFAOYSA-N 2 0 294.443 1.468 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000417546393 377934072 /nfs/dbraw/zinc/93/40/72/377934072.db2.gz ZIHAZHCFLUGYSZ-MRXNPFEDSA-N 2 0 294.443 1.407 20 30 CDEDRP C[C@@H](C[NH2+]CC(C)(C)CCC#N)N1CC[NH+](C)CC1 ZINC000174353642 379460781 /nfs/dbraw/zinc/46/07/81/379460781.db2.gz LVOJVYFTNVKEEE-AWEZNQCLSA-N 2 0 266.433 1.542 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000351329866 391066418 /nfs/dbraw/zinc/06/64/18/391066418.db2.gz OWTLZUZXYAAYKO-HOTGVXAUSA-N 2 0 266.429 1.977 20 30 CDEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1ccccn1 ZINC000178566671 391187952 /nfs/dbraw/zinc/18/79/52/391187952.db2.gz CGELFHXFRGIFAU-GFCCVEGCSA-N 2 0 261.373 1.683 20 30 CDEDRP C=CCOCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000339011231 391242080 /nfs/dbraw/zinc/24/20/80/391242080.db2.gz UJTCZAQZBICUPF-HNNXBMFYSA-N 2 0 252.402 1.853 20 30 CDEDRP CCCNC(=[NH2+])NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000267424339 391195003 /nfs/dbraw/zinc/19/50/03/391195003.db2.gz LGGIESDPKKSNBD-UHFFFAOYSA-N 2 0 266.364 1.702 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000192529514 391721782 /nfs/dbraw/zinc/72/17/82/391721782.db2.gz KCXNXJSEFQSGSS-KRWDZBQOSA-N 2 0 287.407 1.627 20 30 CDEDRP C[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000261968207 391744309 /nfs/dbraw/zinc/74/43/09/391744309.db2.gz CFEBPTRRGYIVSR-HNNXBMFYSA-N 2 0 272.396 1.996 20 30 CDEDRP COc1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)ccc1C#N ZINC000415027492 391728511 /nfs/dbraw/zinc/72/85/11/391728511.db2.gz AZBMOHVPKZNUHS-BXUZGUMPSA-N 2 0 259.353 1.784 20 30 CDEDRP CC[N@H+](C)Cc1cccc(CNC2=[NH+]C[C@H](C)N2)c1 ZINC000262643392 391805859 /nfs/dbraw/zinc/80/58/59/391805859.db2.gz IGPSKXOFGFFEQL-LBPRGKRZSA-N 2 0 260.385 1.576 20 30 CDEDRP C=CCC[C@@H](CCC)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290732 414031153 /nfs/dbraw/zinc/03/11/53/414031153.db2.gz JCIHSXYAZNJFGO-LLVKDONJSA-N 2 0 264.373 1.865 20 30 CDEDRP CC(C)[N@H+](C)CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000104327219 261292922 /nfs/dbraw/zinc/29/29/22/261292922.db2.gz OPWHEDLFUGRMFM-UHFFFAOYSA-N 2 0 268.405 1.021 20 30 CDEDRP C[NH+]=C(NCc1ccsc1)NC[C@H]1CCC[N@@H+]1C ZINC000262737143 262785171 /nfs/dbraw/zinc/78/51/71/262785171.db2.gz VRINTERUGIMTJI-GFCCVEGCSA-N 2 0 266.414 1.507 20 30 CDEDRP COc1ccc(CCNC(=[NH2+])NC[C@H](C)C[NH+](C)C)cc1 ZINC000291965323 263126861 /nfs/dbraw/zinc/12/68/61/263126861.db2.gz SCQXBSQEMJEFRN-ZDUSSCGKSA-N 2 0 292.427 1.340 20 30 CDEDRP C[NH+]1CCC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000330208511 277031908 /nfs/dbraw/zinc/03/19/08/277031908.db2.gz BCEGVSIDXQGQAL-ZDUSSCGKSA-N 2 0 281.400 1.026 20 30 CDEDRP C[NH+]1CCC(C[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000570302377 294213853 /nfs/dbraw/zinc/21/38/53/294213853.db2.gz CFCLBDKPMZKOFX-UHFFFAOYSA-N 2 0 284.367 1.032 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000580309341 327779041 /nfs/dbraw/zinc/77/90/41/327779041.db2.gz RGTKBQJGRFMNHR-NWDGAFQWSA-N 2 0 268.405 1.062 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C2(C[NH3+])CCCC2)CC1 ZINC000178768914 329202496 /nfs/dbraw/zinc/20/24/96/329202496.db2.gz BRVLCVOYLFGMHD-UHFFFAOYSA-N 2 0 265.401 1.272 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262532821 330019939 /nfs/dbraw/zinc/01/99/39/330019939.db2.gz OMZMNLHBHUSVHM-XJFOESAGSA-N 2 0 294.443 1.189 20 30 CDEDRP C[C@H]1C[NH+]=C(NCC2([NH+]3CCSCC3)CCCCC2)N1 ZINC000262668404 330025526 /nfs/dbraw/zinc/02/55/26/330025526.db2.gz PVLOOMZJNCHQBM-ZDUSSCGKSA-N 2 0 296.484 1.675 20 30 CDEDRP C=CC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423153104 330173014 /nfs/dbraw/zinc/17/30/14/330173014.db2.gz MYOSLSQRKODYJL-MGPQQGTHSA-N 2 0 252.402 1.945 20 30 CDEDRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC000424056887 330218434 /nfs/dbraw/zinc/21/84/34/330218434.db2.gz IQGSJNOYDLIPGE-AWEZNQCLSA-N 2 0 274.368 1.756 20 30 CDEDRP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424131699 330263948 /nfs/dbraw/zinc/26/39/48/330263948.db2.gz JPXLNDJCAFFKCO-LSDHHAIUSA-N 2 0 294.443 1.636 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](CCC)CC1 ZINC000491295421 332183782 /nfs/dbraw/zinc/18/37/82/332183782.db2.gz HLYRNFRGHCLYPK-UHFFFAOYSA-N 2 0 294.443 1.115 20 30 CDEDRP CC(C)[C@H](C[NH2+]C[C@@H](C#N)CCC#N)N1CC[NH+](C)CC1 ZINC000567691147 334752540 /nfs/dbraw/zinc/75/25/40/334752540.db2.gz QFZOQRUQBDGILX-CVEARBPZSA-N 2 0 291.443 1.292 20 30 CDEDRP C#CC[N@H+](CC)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001752195725 1159476210 /nfs/dbraw/zinc/47/62/10/1159476210.db2.gz MLJCGXKOHVRUPN-UHFFFAOYSA-N 2 0 277.412 1.076 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108756464 1162022616 /nfs/dbraw/zinc/02/26/16/1162022616.db2.gz KVYTXZOPQVOTDE-IHRRRGAJSA-N 2 0 265.401 1.093 20 30 CDEDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000268443974 535165967 /nfs/dbraw/zinc/16/59/67/535165967.db2.gz SNNYCQYNYLOPBZ-UHFFFAOYSA-N 2 0 287.407 1.883 20 30 CDEDRP C#CCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000766941802 575103422 /nfs/dbraw/zinc/10/34/22/575103422.db2.gz RXPKCQONEHLRCW-HOTGVXAUSA-N 2 0 263.429 1.358 20 30 CDEDRP C#CCCCCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000773341866 575802639 /nfs/dbraw/zinc/80/26/39/575802639.db2.gz SRAFFYKTHXTALN-UHFFFAOYSA-N 2 0 267.417 1.132 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000764442362 575907425 /nfs/dbraw/zinc/90/74/25/575907425.db2.gz PFSWNUJIVDCEOY-AWEZNQCLSA-N 2 0 293.411 1.897 20 30 CDEDRP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000981199160 612957995 /nfs/dbraw/zinc/95/79/95/612957995.db2.gz NZHRXTWREFJEML-HUUCEWRRSA-N 2 0 296.374 1.598 20 30 CDEDRP C#CC[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000948779434 613161287 /nfs/dbraw/zinc/16/12/87/613161287.db2.gz NRGXMSVIORRWST-JKSUJKDBSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000951758259 613245708 /nfs/dbraw/zinc/24/57/08/613245708.db2.gz SURLHFAPTUIBGB-ZBFHGGJFSA-N 2 0 293.455 1.683 20 30 CDEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000969968174 613247335 /nfs/dbraw/zinc/24/73/35/613247335.db2.gz HUYCSLURERIPBT-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970874160 613249235 /nfs/dbraw/zinc/24/92/35/613249235.db2.gz JCNNRRUZQIMUJD-KBPBESRZSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000971641027 613290252 /nfs/dbraw/zinc/29/02/52/613290252.db2.gz KOTSTMHYGWPROS-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000981898496 613493675 /nfs/dbraw/zinc/49/36/75/613493675.db2.gz MVOQYZIDSFHVPH-OAHLLOKOSA-N 2 0 281.444 1.683 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944171653 613519244 /nfs/dbraw/zinc/51/92/44/613519244.db2.gz ZPVZKFIDJXQRQE-HUUCEWRRSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000959848746 613564619 /nfs/dbraw/zinc/56/46/19/613564619.db2.gz KXGWHHGNIZXTOY-XUWVNRHRSA-N 2 0 291.439 1.482 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000971522246 613614719 /nfs/dbraw/zinc/61/47/19/613614719.db2.gz JJFKEBFWQNTZEA-CABCVRRESA-N 2 0 279.428 1.578 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971792968 613614981 /nfs/dbraw/zinc/61/49/81/613614981.db2.gz AGNVCAJDPZOIEB-KGLIPLIRSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000972009468 613616946 /nfs/dbraw/zinc/61/69/46/613616946.db2.gz SCRGXIJVNCGUCM-CVEARBPZSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[N@H+]1CCCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000981982192 613677847 /nfs/dbraw/zinc/67/78/47/613677847.db2.gz OJILWSLEIAOOMU-UHFFFAOYSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942257170 613780272 /nfs/dbraw/zinc/78/02/72/613780272.db2.gz KLCPOSKXCVIPMM-GJZGRUSLSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC000964034457 613858029 /nfs/dbraw/zinc/85/80/29/613858029.db2.gz BXZWSBHSVMWLDU-LETWWHAPSA-N 2 0 291.439 1.674 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000939453682 613868444 /nfs/dbraw/zinc/86/84/44/613868444.db2.gz LXPCYJUFMNDQHV-GDBMZVCRSA-N 2 0 293.455 1.729 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H](C1CCCCC1)[NH+](C)C ZINC000104167697 617985465 /nfs/dbraw/zinc/98/54/65/617985465.db2.gz LZKFERLMHRIEBQ-TZMCWYRMSA-N 2 0 284.448 1.436 20 30 CDEDRP C=CC[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H](C)COC ZINC000903766888 626084978 /nfs/dbraw/zinc/08/49/78/626084978.db2.gz CMTDRLDASDDDKC-GJZGRUSLSA-N 2 0 282.428 1.668 20 30 CDEDRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+]C#C[Si](C)(C)C)O1 ZINC001170276526 1162324869 /nfs/dbraw/zinc/32/48/69/1162324869.db2.gz CQBCNBUGVQJMMQ-JHJVBQTASA-N 2 0 270.449 1.139 20 30 CDEDRP C=CC[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129410408 1162471383 /nfs/dbraw/zinc/47/13/83/1162471383.db2.gz KUJRTZZGOHVQQY-ZDUSSCGKSA-N 2 0 253.390 1.141 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129531584 1162479772 /nfs/dbraw/zinc/47/97/72/1162479772.db2.gz AJPHQKXTUGFNRG-CYBMUJFWSA-N 2 0 267.417 1.531 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130192517 1162567594 /nfs/dbraw/zinc/56/75/94/1162567594.db2.gz PUFARPJZSZCTTG-OLZOCXBDSA-N 2 0 285.819 1.462 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001671369402 1159177047 /nfs/dbraw/zinc/17/70/47/1159177047.db2.gz WRGMRBMEJIXQNW-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028844979 1160081704 /nfs/dbraw/zinc/08/17/04/1160081704.db2.gz FMGWVPLCLUJYGJ-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087908713 1160284042 /nfs/dbraw/zinc/28/40/42/1160284042.db2.gz LFOAXKJRKUULHT-ILXRZTDVSA-N 2 0 277.412 1.047 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001755721417 1160491380 /nfs/dbraw/zinc/49/13/80/1160491380.db2.gz ABALFPKOCQRTHA-HUUCEWRRSA-N 2 0 279.428 1.319 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001133072948 1163551567 /nfs/dbraw/zinc/55/15/67/1163551567.db2.gz NKWCKRAVBZMXNS-CABCVRRESA-N 2 0 281.444 1.588 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001133311050 1163629993 /nfs/dbraw/zinc/62/99/93/1163629993.db2.gz VESWQZSZFPBXCM-CABCVRRESA-N 2 0 279.428 1.342 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001215977029 1167369973 /nfs/dbraw/zinc/36/99/73/1167369973.db2.gz BWQOBTGIJPEOEI-BZUAXINKSA-N 2 0 293.455 1.423 20 30 CDEDRP C#CC[C@]1(C(=O)N2CCC(CC)([NH+](C)C)CC2)CCC[NH2+]1 ZINC001574517635 1170990946 /nfs/dbraw/zinc/99/09/46/1170990946.db2.gz OXDPUSSDPQTSFQ-QGZVFWFLSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001699863386 1176660249 /nfs/dbraw/zinc/66/02/49/1176660249.db2.gz SOUHUSDNGPFIIN-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001717367337 1180631226 /nfs/dbraw/zinc/63/12/26/1180631226.db2.gz IJXKDWDAZKFAOE-GJZGRUSLSA-N 2 0 277.412 1.027 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001732422355 1182957985 /nfs/dbraw/zinc/95/79/85/1182957985.db2.gz FNELZSCYGJFMTN-CABCVRRESA-N 2 0 283.460 1.975 20 30 CDEDRP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001733869622 1183554590 /nfs/dbraw/zinc/55/45/90/1183554590.db2.gz GXKMFJYSFDLRKF-CQSZACIVSA-N 2 0 281.444 1.729 20 30 CDEDRP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001752460755 1184866746 /nfs/dbraw/zinc/86/67/46/1184866746.db2.gz RRGHBPPJKGZIFI-HZPDHXFCSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001752899171 1184955897 /nfs/dbraw/zinc/95/58/97/1184955897.db2.gz AEWLOKHYCKRSDF-JSGCOSHPSA-N 2 0 290.411 1.424 20 30 CDEDRP C#CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001753283755 1185141289 /nfs/dbraw/zinc/14/12/89/1185141289.db2.gz YSWYRBDJPGTRCX-AWEZNQCLSA-N 2 0 279.428 1.177 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001753440015 1185207728 /nfs/dbraw/zinc/20/77/28/1185207728.db2.gz SIUSFCTWMKOOFI-LSDHHAIUSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001753554860 1185254442 /nfs/dbraw/zinc/25/44/42/1185254442.db2.gz JKOBQKYXXDGCTD-HNNXBMFYSA-N 2 0 279.428 1.180 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001753756095 1185328906 /nfs/dbraw/zinc/32/89/06/1185328906.db2.gz ZRFXMVNJAQBOBB-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001753810010 1185341245 /nfs/dbraw/zinc/34/12/45/1185341245.db2.gz UTUQTMAQAGZGEQ-CABCVRRESA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001753844334 1185354398 /nfs/dbraw/zinc/35/43/98/1185354398.db2.gz ZUMBYJFHHFQICU-KGLIPLIRSA-N 2 0 267.417 1.245 20 30 CDEDRP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001753993371 1185420950 /nfs/dbraw/zinc/42/09/50/1185420950.db2.gz SWWDBLSZKHHDSO-CABCVRRESA-N 2 0 281.444 1.779 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001754544302 1185664489 /nfs/dbraw/zinc/66/44/89/1185664489.db2.gz OKBFPJJKSSVTOE-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001754930605 1185765666 /nfs/dbraw/zinc/76/56/66/1185765666.db2.gz LMXVRIWYVAMLNF-CQSZACIVSA-N 2 0 267.417 1.342 20 30 CDEDRP C#CC[NH+](C)[C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001755316130 1185912045 /nfs/dbraw/zinc/91/20/45/1185912045.db2.gz DPUKHXWMIUUZGE-CJNGLKHVSA-N 2 0 297.418 1.269 20 30 CDEDRP C=CC[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001755316982 1185912913 /nfs/dbraw/zinc/91/29/13/1185912913.db2.gz WNLBGEXPYIDZRE-ZDUSSCGKSA-N 2 0 269.433 1.587 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC1(C)C ZINC001755765115 1186060819 /nfs/dbraw/zinc/06/08/19/1186060819.db2.gz IVKCCNKXQBYCCA-CYBMUJFWSA-N 2 0 267.417 1.341 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N(CCC)[C@H]1CC[N@H+](C)C1 ZINC000843986791 697702524 /nfs/dbraw/zinc/70/25/24/697702524.db2.gz CDOKDDGKHVRGGK-ZDUSSCGKSA-N 2 0 253.390 1.047 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001031918182 697709906 /nfs/dbraw/zinc/70/99/06/697709906.db2.gz AAVXLEVUXIASJE-INIZCTEOSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001019075979 697822872 /nfs/dbraw/zinc/82/28/72/697822872.db2.gz GITPSLZTPCVTQE-GJZGRUSLSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001034393395 697833330 /nfs/dbraw/zinc/83/33/30/697833330.db2.gz DKYAIMYPAGZNJS-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC000987521189 697850837 /nfs/dbraw/zinc/85/08/37/697850837.db2.gz YNQPAFQWUUJEQY-STQMWFEESA-N 2 0 285.819 1.414 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001007788799 697855214 /nfs/dbraw/zinc/85/52/14/697855214.db2.gz RQTKAYKNXGLCER-HNNXBMFYSA-N 2 0 291.439 1.772 20 30 CDEDRP C[C@@H]1C[C@@H]([NH2+]CCNc2ccc(C#N)cn2)CC[N@@H+]1C ZINC000927164493 697892626 /nfs/dbraw/zinc/89/26/26/697892626.db2.gz LDFWGPHIASJASG-OCCSQVGLSA-N 2 0 273.384 1.437 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001048860384 697895584 /nfs/dbraw/zinc/89/55/84/697895584.db2.gz RNVMFLCZWWJUEU-OKILXGFUSA-N 2 0 277.412 1.047 20 30 CDEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])NC[C@H]1CCC[NH+]1CC ZINC000303968101 697927213 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CC[C@H](C)NC(=[NH2+])NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000303263645 698824149 /nfs/dbraw/zinc/82/41/49/698824149.db2.gz RGNBVSWXWBRPNA-FRRDWIJNSA-N 2 0 254.422 1.810 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033225039 698848499 /nfs/dbraw/zinc/84/84/99/698848499.db2.gz CJNPYYLWKUDAAQ-OAHLLOKOSA-N 2 0 291.439 1.724 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C)C[NH+]1CCCCC1 ZINC000303871787 698850495 /nfs/dbraw/zinc/85/04/95/698850495.db2.gz GBJGBZUDVLPRMV-CHWSQXEVSA-N 2 0 270.421 1.048 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CCc2ncc[nH]2)C[C@@H]1C ZINC001054630561 698873042 /nfs/dbraw/zinc/87/30/42/698873042.db2.gz XSBOQJFAZLHBDZ-JQWIXIFHSA-N 2 0 296.802 1.531 20 30 CDEDRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000923419451 698908377 /nfs/dbraw/zinc/90/83/77/698908377.db2.gz AEASUOHWPSUSMP-BPLDGKMQSA-N 2 0 289.379 1.013 20 30 CDEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000926358202 698942852 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C#CC[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000996713295 704976189 /nfs/dbraw/zinc/97/61/89/704976189.db2.gz SMIYRXMRCLNLLJ-HZPDHXFCSA-N 2 0 289.423 1.217 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999280253 704986143 /nfs/dbraw/zinc/98/61/43/704986143.db2.gz VZQNZXLHKSQGBK-FHERZECASA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038663242 705040086 /nfs/dbraw/zinc/04/00/86/705040086.db2.gz NMQCMBITFPIQNM-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001033777279 705041550 /nfs/dbraw/zinc/04/15/50/705041550.db2.gz UMHYDGSYFHYWNT-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC[N@@H+]1C ZINC000226877284 705157678 /nfs/dbraw/zinc/15/76/78/705157678.db2.gz UEHBFZBHJGAOBI-DAXOMENPSA-N 2 0 273.380 1.664 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001091066506 1164254679 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C=CC[N@@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001036869908 848266507 /nfs/dbraw/zinc/26/65/07/848266507.db2.gz MAERLWCVTSEXOB-GJZGRUSLSA-N 2 0 289.423 1.191 20 30 CDEDRP C#CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@@H]21 ZINC001036737889 848326568 /nfs/dbraw/zinc/32/65/68/848326568.db2.gz XLOQURFDXVWHRY-HOCLYGCPSA-N 2 0 289.423 1.027 20 30 CDEDRP C[NH+](C)CCCN(CCC#N)C(=O)CC[NH2+]C(C)(C)C ZINC000930706450 848405248 /nfs/dbraw/zinc/40/52/48/848405248.db2.gz PKXARODWOCFPBX-UHFFFAOYSA-N 2 0 282.432 1.459 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001044734457 848481535 /nfs/dbraw/zinc/48/15/35/848481535.db2.gz VMDQTVQDFNMYRC-DZGCQCFKSA-N 2 0 279.428 1.483 20 30 CDEDRP CC[N@@H+]1CC[C@H]([NH2+]CCNc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000927166104 848541340 /nfs/dbraw/zinc/54/13/40/848541340.db2.gz UBGBRNDVBAQTJX-ZFWWWQNUSA-N 2 0 287.411 1.685 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001001002375 848570796 /nfs/dbraw/zinc/57/07/96/848570796.db2.gz OXQIARNRGRGHEH-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001005998759 848605258 /nfs/dbraw/zinc/60/52/58/848605258.db2.gz VFKDSPAZOKOAQV-AWEZNQCLSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052932363 848706124 /nfs/dbraw/zinc/70/61/24/848706124.db2.gz MUZVZFGCFLFBDW-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC000996683057 848735153 /nfs/dbraw/zinc/73/51/53/848735153.db2.gz DIQGQCCUALBQOX-CHWSQXEVSA-N 2 0 274.368 1.280 20 30 CDEDRP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033144127 848829576 /nfs/dbraw/zinc/82/95/76/848829576.db2.gz RUUJRARQTGADIU-HOTGVXAUSA-N 2 0 291.439 1.130 20 30 CDEDRP N#CC1(C[C@H](O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC001580038294 1167708862 /nfs/dbraw/zinc/70/88/62/1167708862.db2.gz JZCRXBLNAQIZFO-XDQVBPFNSA-N 2 0 263.385 1.100 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001050663585 848972879 /nfs/dbraw/zinc/97/28/79/848972879.db2.gz VRLPEDPODYYUGR-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001008314332 849062366 /nfs/dbraw/zinc/06/23/66/849062366.db2.gz NRWPQFKPFYLDTE-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP CC[C@@H](C)NC(=[NH2+])NCCC[NH+]1CCCCCC1 ZINC000194684930 849085868 /nfs/dbraw/zinc/08/58/68/849085868.db2.gz MULXHPDBCAPVDV-CYBMUJFWSA-N 2 0 254.422 1.955 20 30 CDEDRP C#C[C@H](C)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775182557 849120589 /nfs/dbraw/zinc/12/05/89/849120589.db2.gz COEARBHLDQMQPS-HNNXBMFYSA-N 2 0 271.408 1.892 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032959433 849212301 /nfs/dbraw/zinc/21/23/01/849212301.db2.gz GKKNJYFQVBFBBP-UONOGXRCSA-N 2 0 265.401 1.189 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NCC1CC[NH+](C2CC2)CC1 ZINC000849022921 849407224 /nfs/dbraw/zinc/40/72/24/849407224.db2.gz QYUKHDBHZYJPCE-UHFFFAOYSA-N 2 0 290.411 1.819 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033927425 849423410 /nfs/dbraw/zinc/42/34/10/849423410.db2.gz MACNAVHNFXVJRC-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000985754303 849449672 /nfs/dbraw/zinc/44/96/72/849449672.db2.gz AUCCWKLGFWXQMM-UHFFFAOYSA-N 2 0 277.412 1.191 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001020676055 849490112 /nfs/dbraw/zinc/49/01/12/849490112.db2.gz PXEKBIJGNSERRG-RBSFLKMASA-N 2 0 277.412 1.119 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001041404392 849550179 /nfs/dbraw/zinc/55/01/79/849550179.db2.gz SWVMTGLFKSZNBK-NVXWUHKLSA-N 2 0 293.455 1.827 20 30 CDEDRP CCCNC(=[NH2+])NCCCC[NH+]1CCC(C)CC1 ZINC000303885680 849567143 /nfs/dbraw/zinc/56/71/43/849567143.db2.gz JXSORWZSLAOPDW-UHFFFAOYSA-N 2 0 254.422 1.813 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033270695 849667194 /nfs/dbraw/zinc/66/71/94/849667194.db2.gz GBXSOJMQHGZPLK-INIZCTEOSA-N 2 0 296.374 1.504 20 30 CDEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049024773 849700447 /nfs/dbraw/zinc/70/04/47/849700447.db2.gz BFANSXTWUOAGCO-IYBDPMFKSA-N 2 0 291.439 1.295 20 30 CDEDRP C#C[C@@H]1CCC[N@@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000878843962 849923194 /nfs/dbraw/zinc/92/31/94/849923194.db2.gz NWIQWAWGMYCTLJ-IEBWSBKVSA-N 2 0 298.430 1.969 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001028765230 849994441 /nfs/dbraw/zinc/99/44/41/849994441.db2.gz TYHAIQJPQKQOFN-ZDUSSCGKSA-N 2 0 291.395 1.579 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001028660948 850007731 /nfs/dbraw/zinc/00/77/31/850007731.db2.gz CSLBCBFDAKFCQU-CQSZACIVSA-N 2 0 298.390 1.962 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001039428532 850014767 /nfs/dbraw/zinc/01/47/67/850014767.db2.gz QJOMRYUOLWNYOE-CVEARBPZSA-N 2 0 291.439 1.580 20 30 CDEDRP N#CCCN1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000866704610 850187410 /nfs/dbraw/zinc/18/74/10/850187410.db2.gz WGKXXAVJIWCMOE-UHFFFAOYSA-N 2 0 252.406 1.427 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925655285 850326612 /nfs/dbraw/zinc/32/66/12/850326612.db2.gz JGRPIBVMYNWFKC-ORKIIUGYSA-N 2 0 262.397 1.554 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001028317278 850438885 /nfs/dbraw/zinc/43/88/85/850438885.db2.gz ZMDWWYZMHYRIDV-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001498644396 1167771598 /nfs/dbraw/zinc/77/15/98/1167771598.db2.gz YEDANVKEECGGRF-ZDUSSCGKSA-N 2 0 289.851 1.763 20 30 CDEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@H]1C ZINC001089060881 912549522 /nfs/dbraw/zinc/54/95/22/912549522.db2.gz LMOSRSCXYOMOJO-OWCLPIDISA-N 2 0 291.439 1.463 20 30 CDEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)CCC)C2)C1 ZINC001122106306 913452530 /nfs/dbraw/zinc/45/25/30/913452530.db2.gz DVYXKBBKOUVYRX-UHFFFAOYSA-N 2 0 293.455 1.921 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001106336683 913862683 /nfs/dbraw/zinc/86/26/83/913862683.db2.gz ZQBUTXZXXIBPNG-HUUCEWRRSA-N 2 0 293.455 1.424 20 30 CDEDRP C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210033725 895016757 /nfs/dbraw/zinc/01/67/57/895016757.db2.gz XPOPMHCGSNOFEA-DGCLKSJQSA-N 2 0 287.835 1.517 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176318899 914073642 /nfs/dbraw/zinc/07/36/42/914073642.db2.gz PNYJLSBBJZNNGZ-UHFFFAOYSA-N 2 0 281.444 1.925 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001106674120 914123374 /nfs/dbraw/zinc/12/33/74/914123374.db2.gz SSUCWBLWCMSQCD-KFWWJZLASA-N 2 0 279.428 1.034 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001176844014 914268681 /nfs/dbraw/zinc/26/86/81/914268681.db2.gz DUHOZDAUFNWUHN-CHWSQXEVSA-N 2 0 287.835 1.708 20 30 CDEDRP N#Cc1ccc(CCCN2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235980615 914483445 /nfs/dbraw/zinc/48/34/45/914483445.db2.gz RMJHGCSOANKRDE-JKSUJKDBSA-N 2 0 255.365 1.914 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001167836510 901264472 /nfs/dbraw/zinc/26/44/72/901264472.db2.gz YCMHVJXERSMKCS-UHFFFAOYSA-N 2 0 279.428 1.228 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001206302183 914638522 /nfs/dbraw/zinc/63/85/22/914638522.db2.gz UOHFMDSDMDXXJJ-HNNXBMFYSA-N 2 0 281.444 1.731 20 30 CDEDRP C=C(Cl)CN1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001028636046 903095167 /nfs/dbraw/zinc/09/51/67/903095167.db2.gz JJMOLOFWUUPJAI-UONOGXRCSA-N 2 0 299.846 1.661 20 30 CDEDRP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000261999404 904698948 /nfs/dbraw/zinc/69/89/48/904698948.db2.gz PDFYMIWUNQLDRV-CQSZACIVSA-N 2 0 266.433 1.811 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087828783 905884600 /nfs/dbraw/zinc/88/46/00/905884600.db2.gz VLUHLAQSYWYSGU-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001088335177 906946514 /nfs/dbraw/zinc/94/65/14/906946514.db2.gz XRNNVRHLRSPZPL-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001088413462 907128673 /nfs/dbraw/zinc/12/86/73/907128673.db2.gz GSSIMBMBCOYSLE-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001092828240 909519454 /nfs/dbraw/zinc/51/94/54/909519454.db2.gz KKAUBGTXQKJDDD-UKRRQHHQSA-N 2 0 296.374 1.265 20 30 CDEDRP COCCC[NH+]1CCC([NH2+]C2CC(C#N)C2)CC1 ZINC001172249085 911521374 /nfs/dbraw/zinc/52/13/74/911521374.db2.gz HLNDUYRNCGJYSP-UHFFFAOYSA-N 2 0 251.374 1.379 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001094937218 911844542 /nfs/dbraw/zinc/84/45/42/911844542.db2.gz IHKYMLQWUVYNCA-DZKIICNBSA-N 2 0 291.439 1.626 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001178736120 915612200 /nfs/dbraw/zinc/61/22/00/915612200.db2.gz PDQVTPBVNVYWAE-YHUYYLMFSA-N 2 0 291.439 1.319 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179434915 915834971 /nfs/dbraw/zinc/83/49/71/915834971.db2.gz DDXFRNAFQGPTFH-STQMWFEESA-N 2 0 287.835 1.660 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)CC[N@@H+](C)CC ZINC001179989204 916104568 /nfs/dbraw/zinc/10/45/68/916104568.db2.gz UMYSXFRARFJCET-UHFFFAOYSA-N 2 0 269.433 1.780 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)CC[NH+]1CCCCC1 ZINC001180360519 916280025 /nfs/dbraw/zinc/28/00/25/916280025.db2.gz HGDDPJQENFHAIB-UHFFFAOYSA-N 2 0 293.455 1.762 20 30 CDEDRP Cn1cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1C#N ZINC001206549965 918247246 /nfs/dbraw/zinc/24/72/46/918247246.db2.gz SFLYRAVZBQIEEY-HNNXBMFYSA-N 2 0 260.385 1.848 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)NCCc1c[nH]c2cc[nH+]cc12 ZINC001183085787 918278675 /nfs/dbraw/zinc/27/86/75/918278675.db2.gz IUNYQKYXURVOCZ-UHFFFAOYSA-N 2 0 298.390 1.874 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001184807223 919270780 /nfs/dbraw/zinc/27/07/80/919270780.db2.gz ZIACSZAJBPYRRI-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001185027970 919388141 /nfs/dbraw/zinc/38/81/41/919388141.db2.gz BMWMDMZWQKOFJA-JKSUJKDBSA-N 2 0 295.471 1.979 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185084592 919416629 /nfs/dbraw/zinc/41/66/29/919416629.db2.gz KOAIUQPJIYHEIE-LSDHHAIUSA-N 2 0 279.428 1.036 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001168653193 919995193 /nfs/dbraw/zinc/99/51/93/919995193.db2.gz MHYBAZYKWLTMMN-OAHLLOKOSA-N 2 0 281.444 1.472 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001186739825 920153714 /nfs/dbraw/zinc/15/37/14/920153714.db2.gz WFJPCRYYFQQBGL-MRXNPFEDSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001486120422 920731521 /nfs/dbraw/zinc/73/15/21/920731521.db2.gz ATLIVMYQSISMBU-OLZOCXBDSA-N 2 0 287.835 1.660 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001188317184 920967828 /nfs/dbraw/zinc/96/78/28/920967828.db2.gz KFEPSTWQOPLEFP-OAHLLOKOSA-N 2 0 277.412 1.076 20 30 CDEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001190675906 922131998 /nfs/dbraw/zinc/13/19/98/922131998.db2.gz ZTAHMCYSQBMGOR-OAHLLOKOSA-N 2 0 279.428 1.580 20 30 CDEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203729483 922258306 /nfs/dbraw/zinc/25/83/06/922258306.db2.gz GSOUBTNQEALAEX-LSDHHAIUSA-N 2 0 289.423 1.123 20 30 CDEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203729245 922281103 /nfs/dbraw/zinc/28/11/03/922281103.db2.gz FAOGBEDLCXLONS-GJZGRUSLSA-N 2 0 289.423 1.123 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128784910 922433746 /nfs/dbraw/zinc/43/37/46/922433746.db2.gz OPENYCATUFCOKM-AWEZNQCLSA-N 2 0 267.417 1.533 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192395679 923073126 /nfs/dbraw/zinc/07/31/26/923073126.db2.gz HQDUIIPYWYOXEC-KBPBESRZSA-N 2 0 267.417 1.435 20 30 CDEDRP C[Si](C)(C)C#C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162965729 923281488 /nfs/dbraw/zinc/28/14/88/923281488.db2.gz MDFMTIKHGQRWRO-AWEZNQCLSA-N 2 0 280.488 1.963 20 30 CDEDRP N#Cc1ccc(CCC[N@H+]2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001205664151 924230790 /nfs/dbraw/zinc/23/07/90/924230790.db2.gz MQCOZHCCBXZTBT-KRWDZBQOSA-N 2 0 287.407 1.667 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001080448765 924562372 /nfs/dbraw/zinc/56/23/72/924562372.db2.gz BOPSIGZCKLZRBI-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001080667728 924619731 /nfs/dbraw/zinc/61/97/31/924619731.db2.gz SYCJAVIJSNKLJP-HZPDHXFCSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)CN1CCC2(CC[NH+](CCC[NH+](C)C)CC2)C1=O ZINC001273711312 924797689 /nfs/dbraw/zinc/79/76/89/924797689.db2.gz AOMAELIGAGHHPK-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=CCCC[N@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001196163072 924830746 /nfs/dbraw/zinc/83/07/46/924830746.db2.gz HNKKYYNKLJTNHY-MRXNPFEDSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001101036486 936953241 /nfs/dbraw/zinc/95/32/41/936953241.db2.gz QVPHCGMVXVBCCZ-UHFFFAOYSA-N 2 0 281.444 1.777 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001082611995 924963876 /nfs/dbraw/zinc/96/38/76/924963876.db2.gz LZGXGCFQZPYLGT-OAGGEKHMSA-N 2 0 291.439 1.177 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051882 937039035 /nfs/dbraw/zinc/03/90/35/937039035.db2.gz RKILHCCCPLKSER-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102289338 937050950 /nfs/dbraw/zinc/05/09/50/937050950.db2.gz JFYPUEFRDZBHFN-HUUCEWRRSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001085687253 926286610 /nfs/dbraw/zinc/28/66/10/926286610.db2.gz LSLOAIFXEDLQAQ-CVEARBPZSA-N 2 0 291.439 1.273 20 30 CDEDRP Cc1noc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c1C#N ZINC001201649992 926374573 /nfs/dbraw/zinc/37/45/73/926374573.db2.gz XYMXZJJWERDAKA-UHFFFAOYSA-N 2 0 298.350 1.745 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085968789 926554007 /nfs/dbraw/zinc/55/40/07/926554007.db2.gz POEDHXOLHBDVMY-KGLIPLIRSA-N 2 0 265.401 1.047 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001410838029 926648737 /nfs/dbraw/zinc/64/87/37/926648737.db2.gz DDXFRNAFQGPTFH-OLZOCXBDSA-N 2 0 287.835 1.660 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001086084880 926678719 /nfs/dbraw/zinc/67/87/19/926678719.db2.gz JOCWCDVNVXEKQP-OWCLPIDISA-N 2 0 293.455 1.920 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001086087196 926682094 /nfs/dbraw/zinc/68/20/94/926682094.db2.gz SINQYGLIRZGMKB-VNQPRFMTSA-N 2 0 291.439 1.389 20 30 CDEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103999986 937184511 /nfs/dbraw/zinc/18/45/11/937184511.db2.gz RDPIFWDHHDSQLT-OAGGEKHMSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001108821558 928662060 /nfs/dbraw/zinc/66/20/60/928662060.db2.gz OOQNMWUVODVPAF-XHSDSOJGSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CC ZINC001115081163 937323757 /nfs/dbraw/zinc/32/37/57/937323757.db2.gz MERYIICOUZCAMM-FOLVSLTJSA-N 2 0 279.428 1.341 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001152480680 937365630 /nfs/dbraw/zinc/36/56/30/937365630.db2.gz ZKXUKTONFYZSAS-HNNXBMFYSA-N 2 0 279.428 1.226 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134775983 929895870 /nfs/dbraw/zinc/89/58/70/929895870.db2.gz GMKWNMLRTJZKMS-UHFFFAOYSA-N 2 0 273.808 1.177 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134892918 929947518 /nfs/dbraw/zinc/94/75/18/929947518.db2.gz QUQACKBYIOFXTA-UONOGXRCSA-N 2 0 298.390 1.844 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299035 930136000 /nfs/dbraw/zinc/13/60/00/930136000.db2.gz SMWVWUZAPQLWMN-KBPBESRZSA-N 2 0 279.428 1.224 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135468507 930216306 /nfs/dbraw/zinc/21/63/06/930216306.db2.gz QEXTWSIFTOTZTD-UONOGXRCSA-N 2 0 281.444 1.777 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135979647 930578896 /nfs/dbraw/zinc/57/88/96/930578896.db2.gz IBWNOWCJOWXAPG-ZIAGYGMSSA-N 2 0 269.433 1.777 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135974277 930585708 /nfs/dbraw/zinc/58/57/08/930585708.db2.gz MABWDWPEOADSOC-UONOGXRCSA-N 2 0 269.433 1.777 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313506 937438728 /nfs/dbraw/zinc/43/87/28/937438728.db2.gz UBWXMSRCLPBVLT-CVEARBPZSA-N 2 0 293.455 1.709 20 30 CDEDRP N#Cc1cc(Br)cc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001170906840 930720435 /nfs/dbraw/zinc/72/04/35/930720435.db2.gz XZUBMGPNWQLZMA-VIFPVBQESA-N 2 0 284.161 1.151 20 30 CDEDRP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001153501133 937449007 /nfs/dbraw/zinc/44/90/07/937449007.db2.gz GKHVZBZCUSWEAI-OWCLPIDISA-N 2 0 293.455 1.567 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854827 937477466 /nfs/dbraw/zinc/47/74/66/937477466.db2.gz YXPCALIOPMHNCZ-CQSZACIVSA-N 2 0 281.444 1.873 20 30 CDEDRP C[NH+](C)CCN1CCC2(CC[NH+](CCCC#N)CC2)C1=O ZINC001274039514 931138909 /nfs/dbraw/zinc/13/89/09/931138909.db2.gz DXXPZZPMKNDJJN-UHFFFAOYSA-N 2 0 292.427 1.166 20 30 CDEDRP C[NH+](C)CCNC(=O)[C@@H]1CC12CC[NH+](CCCC#N)CC2 ZINC001274039714 931139232 /nfs/dbraw/zinc/13/92/32/931139232.db2.gz LEVIAWUBVSODLG-AWEZNQCLSA-N 2 0 292.427 1.070 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153891184 937481475 /nfs/dbraw/zinc/48/14/75/937481475.db2.gz PUZFDMTZDXQOGJ-HUUCEWRRSA-N 2 0 279.428 1.321 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001091100567 931827980 /nfs/dbraw/zinc/82/79/80/931827980.db2.gz YODWMDWSLSNPJB-JXQTWKCFSA-N 2 0 299.846 1.708 20 30 CDEDRP C#CCCC[NH2+][C@@]12CC[C@@]([NH2+]CC(=O)N(C)C)(C1)CCC2 ZINC001275975435 932189242 /nfs/dbraw/zinc/18/92/42/932189242.db2.gz CSHHLQLEJCFGCK-DLBZAZTESA-N 2 0 291.439 1.513 20 30 CDEDRP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146593572 932270185 /nfs/dbraw/zinc/27/01/85/932270185.db2.gz QCYLDKPDJPEAIS-GJZGRUSLSA-N 2 0 299.459 1.402 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147884894 932628758 /nfs/dbraw/zinc/62/87/58/932628758.db2.gz HKTYFUUPZURHDL-HNNXBMFYSA-N 2 0 281.444 1.780 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001171317706 932636203 /nfs/dbraw/zinc/63/62/03/932636203.db2.gz KFDKPICIPRMJFP-HOTGVXAUSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148360504 932699770 /nfs/dbraw/zinc/69/97/70/932699770.db2.gz WEQKBGDNKWIOCK-AWEZNQCLSA-N 2 0 269.433 1.779 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001155180625 937645363 /nfs/dbraw/zinc/64/53/63/937645363.db2.gz IOAOYQYTTOSIQR-HZPDHXFCSA-N 2 0 295.471 1.957 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961076 933201343 /nfs/dbraw/zinc/20/13/43/933201343.db2.gz QKFLNOXGJWFSQZ-KFWWJZLASA-N 2 0 279.428 1.626 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115450581 934117685 /nfs/dbraw/zinc/11/76/85/934117685.db2.gz GLLXTWWFZGGHPD-AWEZNQCLSA-N 2 0 279.428 1.675 20 30 CDEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CCC)C2 ZINC001111307231 934546854 /nfs/dbraw/zinc/54/68/54/934546854.db2.gz DQRBTNFDLSLMPZ-OAGGEKHMSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC001120536942 937807745 /nfs/dbraw/zinc/80/77/45/937807745.db2.gz SQNVDGPMGKUBGL-LSDHHAIUSA-N 2 0 294.443 1.100 20 30 CDEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001114848626 935029127 /nfs/dbraw/zinc/02/91/27/935029127.db2.gz CRJRHSSTNOUHGF-FOLVSLTJSA-N 2 0 293.455 1.587 20 30 CDEDRP N#Cc1cc(C(F)(F)N[C@@H]([NH3+])CCC[NH3+])cc(Cl)n1 ZINC001159785618 938752502 /nfs/dbraw/zinc/75/25/02/938752502.db2.gz QZPAKVASKOFMNT-SNVBAGLBSA-N 2 0 289.717 1.269 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001159910666 938759756 /nfs/dbraw/zinc/75/97/56/938759756.db2.gz SLZWXTGHSYANHZ-HNNXBMFYSA-N 2 0 281.444 1.921 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160272799 938778425 /nfs/dbraw/zinc/77/84/25/938778425.db2.gz DQEDEAMTLDHWBJ-AWEZNQCLSA-N 2 0 267.417 1.533 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)N2CCC(C3CC[NH2+]CC3)CC2)C1 ZINC001161208612 938879137 /nfs/dbraw/zinc/87/91/37/938879137.db2.gz VPVFIYSRDGEPCR-KRWDZBQOSA-N 2 0 291.439 1.533 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161789690 938932712 /nfs/dbraw/zinc/93/27/12/938932712.db2.gz VEYZAUULJWTQNZ-UHFFFAOYSA-N 2 0 265.401 1.287 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001163274676 939237382 /nfs/dbraw/zinc/23/73/82/939237382.db2.gz BYJXNSFWAMGGML-UHFFFAOYSA-N 2 0 293.455 1.760 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001203925540 939714255 /nfs/dbraw/zinc/71/42/55/939714255.db2.gz RTCUOQMMAHBUSQ-UHFFFAOYSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001204797652 939791645 /nfs/dbraw/zinc/79/16/45/939791645.db2.gz ASHCTCBXHBQTQW-CQSZACIVSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CCOc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC001205135896 939827000 /nfs/dbraw/zinc/82/70/00/939827000.db2.gz DLQCBHOAKRGEPG-DZGCQCFKSA-N 2 0 288.391 1.734 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001205561955 939903266 /nfs/dbraw/zinc/90/32/66/939903266.db2.gz MWLMGIJEHVQVJU-UHFFFAOYSA-N 2 0 281.444 1.731 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001206794778 940092732 /nfs/dbraw/zinc/09/27/32/940092732.db2.gz SNAIJDJTJLWSRW-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP C=CCCC[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001206928788 940113219 /nfs/dbraw/zinc/11/32/19/940113219.db2.gz JANNSEFCMDVOCU-UHFFFAOYSA-N 2 0 293.455 1.877 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001208073957 940283962 /nfs/dbraw/zinc/28/39/62/940283962.db2.gz QWXANEAQAUEKON-HRCADAONSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001210282418 940678431 /nfs/dbraw/zinc/67/84/31/940678431.db2.gz GEOWUZYGLKYMTH-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH2+]CCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309806351 941225917 /nfs/dbraw/zinc/22/59/17/941225917.db2.gz UPAHOACOGJGILT-QGZVFWFLSA-N 2 0 273.424 1.968 20 30 CDEDRP N#Cc1c(F)ccc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c1F ZINC001218914557 941288101 /nfs/dbraw/zinc/28/81/01/941288101.db2.gz ZAHPLGHWLKCIAL-CYBMUJFWSA-N 2 0 294.305 1.102 20 30 CDEDRP CNc1ccc(C#N)cc1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001218980651 941296244 /nfs/dbraw/zinc/29/62/44/941296244.db2.gz HCLMLZVVPHCMOC-LBPRGKRZSA-N 2 0 289.383 1.385 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC001220868170 941478401 /nfs/dbraw/zinc/47/84/01/941478401.db2.gz DKFYTHJXKWUYPD-IHRRRGAJSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C=C1CC[NH2+]CC1 ZINC001220868076 941479023 /nfs/dbraw/zinc/47/90/23/941479023.db2.gz ANUYTMYRXDNKCK-AWEZNQCLSA-N 2 0 263.385 1.063 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001223472991 941679999 /nfs/dbraw/zinc/67/99/99/941679999.db2.gz ZPVQSTKLNGHEBA-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001224426753 941753379 /nfs/dbraw/zinc/75/33/79/941753379.db2.gz UJLSVJNZABIWAF-OAHLLOKOSA-N 2 0 281.444 1.587 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228224472 942282652 /nfs/dbraw/zinc/28/26/52/942282652.db2.gz IBGOKABMAUZFFZ-ZIAGYGMSSA-N 2 0 279.428 1.531 20 30 CDEDRP Cn1cc(C[NH+]2CC3(C2)CC[NH+](C2CC2)CC3)cc1C#N ZINC001277923588 944056556 /nfs/dbraw/zinc/05/65/56/944056556.db2.gz CHHSYPBFMSZCQE-UHFFFAOYSA-N 2 0 284.407 1.957 20 30 CDEDRP C[NH+](C)CC1CC[NH+](Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001237614287 944889825 /nfs/dbraw/zinc/88/98/25/944889825.db2.gz MYCABQIMCACWAY-UHFFFAOYSA-N 2 0 297.406 1.980 20 30 CDEDRP CC(C)[NH+]1CCN(CC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254643663 947565850 /nfs/dbraw/zinc/56/58/50/947565850.db2.gz QPYTYYFYLVTSJP-CABCVRRESA-N 2 0 264.417 1.294 20 30 CDEDRP C=CCCCCCC[C@@H](O)C[NH2+][C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001245980008 947873917 /nfs/dbraw/zinc/87/39/17/947873917.db2.gz YXKPPAVOUOTVOQ-LVQVYYBASA-N 2 0 282.428 1.450 20 30 CDEDRP CCCCCCCC[C@@H](O)C[NH2+]C[C@]12C[NH2+]C[C@H]1COC2 ZINC001245984360 947880269 /nfs/dbraw/zinc/88/02/69/947880269.db2.gz OUJAPXKVAQIQEQ-BBWFWOEESA-N 2 0 298.471 1.924 20 30 CDEDRP C=CCOC[C@@H](O)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246022836 947902974 /nfs/dbraw/zinc/90/29/74/947902974.db2.gz PGJASVGAXVQJFV-UONOGXRCSA-N 2 0 256.390 1.001 20 30 CDEDRP N#Cc1ccc(C2CCC(N(CC[NH3+])CC[NH3+])CC2)cc1 ZINC001246830676 948464324 /nfs/dbraw/zinc/46/43/24/948464324.db2.gz LJPYCITXAMNSEU-UHFFFAOYSA-N 2 0 286.423 1.804 20 30 CDEDRP C[C@H](O)C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC001251974010 951018492 /nfs/dbraw/zinc/01/84/92/951018492.db2.gz SQZUMRCGGFMJMO-ZDUSSCGKSA-N 2 0 273.380 1.493 20 30 CDEDRP N#CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001327197073 954765907 /nfs/dbraw/zinc/76/59/07/954765907.db2.gz LVVAITDUBYGJJE-ZIAGYGMSSA-N 2 0 259.353 1.948 20 30 CDEDRP C=C[C@H](COC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001324016129 961111526 /nfs/dbraw/zinc/11/15/26/961111526.db2.gz UBHWPTYXKWZTGJ-MRXNPFEDSA-N 2 0 289.423 1.729 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001341601556 963480011 /nfs/dbraw/zinc/48/00/11/963480011.db2.gz WXIZLPDIJGTMNX-GJZGRUSLSA-N 2 0 281.444 1.764 20 30 CDEDRP C#CC[NH2+]CC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001353483447 968006713 /nfs/dbraw/zinc/00/67/13/968006713.db2.gz VYOZYUIGQXPOFW-GJZGRUSLSA-N 2 0 279.428 1.084 20 30 CDEDRP C=CCCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001100411836 968273623 /nfs/dbraw/zinc/27/36/23/968273623.db2.gz VLGWAXWTNGTIKK-UHFFFAOYSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001521482418 970302761 /nfs/dbraw/zinc/30/27/61/970302761.db2.gz MFZUYSKJMKKCMF-IHRRRGAJSA-N 2 0 267.417 1.659 20 30 CDEDRP CC#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132153504 1163184016 /nfs/dbraw/zinc/18/40/16/1163184016.db2.gz RDKHFPHYYSOJAV-CABCVRRESA-N 2 0 293.455 1.709 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132376451 1163261294 /nfs/dbraw/zinc/26/12/94/1163261294.db2.gz NLUMZOLYATXAPV-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132434000 1163288286 /nfs/dbraw/zinc/28/82/86/1163288286.db2.gz SJWRSDJXGWZFKB-HOTGVXAUSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132519462 1163338518 /nfs/dbraw/zinc/33/85/18/1163338518.db2.gz ZFTYGGWFFZTFQL-HUUCEWRRSA-N 2 0 281.444 1.872 20 30 CDEDRP C#CC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132509498 1163342170 /nfs/dbraw/zinc/34/21/70/1163342170.db2.gz WBZOUFRPDXRSIV-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001133073248 1163551863 /nfs/dbraw/zinc/55/18/63/1163551863.db2.gz RSPAFRLWJKKAPS-CABCVRRESA-N 2 0 279.428 1.036 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001133178663 1163596893 /nfs/dbraw/zinc/59/68/93/1163596893.db2.gz VWXHWIYSOFVRHH-HOTGVXAUSA-N 2 0 293.455 1.426 20 30 CDEDRP C#CC[C@]1(C(=O)NCC[N@H+]2CCCC2(C)C)CCC[NH2+]1 ZINC001574516124 1170989837 /nfs/dbraw/zinc/98/98/37/1170989837.db2.gz DCBJXEJIARZKKS-MRXNPFEDSA-N 2 0 277.412 1.123 20 30 CDEDRP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC001574849956 1171025357 /nfs/dbraw/zinc/02/53/57/1171025357.db2.gz SHSNOGLRPQKHCU-YPMHNXCESA-N 2 0 253.390 1.080 20 30 CDEDRP CC#CC[C@@H]([NH3+])C(=O)N[C@H](C)CCC[NH+](CC)CC ZINC001574961974 1171063896 /nfs/dbraw/zinc/06/38/96/1171063896.db2.gz CBJPTXUBWIZRIH-ZIAGYGMSSA-N 2 0 267.417 1.354 20 30 CDEDRP C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1CC[NH+](C)CC1 ZINC000594439166 342906834 /nfs/dbraw/zinc/90/68/34/342906834.db2.gz SWJAPEODEWDZSQ-TZMCWYRMSA-N 2 0 280.416 1.244 20 30 CDEDRP C[C@H]1C[N@H+](CCC[NH2+]C[C@H](O)CC(C)(C)C#N)CCCO1 ZINC000598723515 343884717 /nfs/dbraw/zinc/88/47/17/343884717.db2.gz IXKQUOMLWJGHKX-LSDHHAIUSA-N 2 0 297.443 1.378 20 30 CDEDRP C[C@@H](CCC#N)C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000602554251 344466216 /nfs/dbraw/zinc/46/62/16/344466216.db2.gz ZQTVMANESZWOLI-GJZGRUSLSA-N 2 0 267.417 1.753 20 30 CDEDRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(CC#N)CC2)[C@H](C)C1 ZINC000610812643 346444042 /nfs/dbraw/zinc/44/40/42/346444042.db2.gz GCKIVHBOZJZRFD-UKRRQHHQSA-N 2 0 264.417 1.294 20 30 CDEDRP CNC(=[NH2+])NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000263956197 362948546 /nfs/dbraw/zinc/94/85/46/362948546.db2.gz IFJCVCHXHSCDRA-UHFFFAOYSA-N 2 0 260.385 1.707 20 30 CDEDRP N#Cc1cnn2cc(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)cnc12 ZINC000603894036 350326365 /nfs/dbraw/zinc/32/63/65/350326365.db2.gz GHDBVBNGKKOUAY-GJZGRUSLSA-N 2 0 296.378 1.317 20 30 CDEDRP [NH2+]=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NC1CC1 ZINC000264071738 362957845 /nfs/dbraw/zinc/95/78/45/362957845.db2.gz DKSHVYPHSWJSMM-OAHLLOKOSA-N 2 0 286.423 1.618 20 30 CDEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000107369036 186171843 /nfs/dbraw/zinc/17/18/43/186171843.db2.gz IFTNNQNVFOUNHG-GOSISDBHSA-N 2 0 298.434 1.770 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000236660882 358795935 /nfs/dbraw/zinc/79/59/35/358795935.db2.gz HYUNPKBITYOUIZ-KRWDZBQOSA-N 2 0 299.418 1.468 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)C(C)C ZINC000236662843 358795970 /nfs/dbraw/zinc/79/59/70/358795970.db2.gz YIMBMCMBRQTKJC-GJZGRUSLSA-N 2 0 279.428 1.553 20 30 CDEDRP C[N@H+](CCCc1[nH]nc(N)c1C#N)CC[C@H]1CCC[NH+]1C ZINC000162696270 359523484 /nfs/dbraw/zinc/52/34/84/359523484.db2.gz LSVCLBFHNATZFJ-GFCCVEGCSA-N 2 0 290.415 1.212 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)CC[C@@H](C)[NH3+])C(C)C ZINC000277496704 359562250 /nfs/dbraw/zinc/56/22/50/359562250.db2.gz OLPVJWVPVJKEMC-HUUCEWRRSA-N 2 0 281.444 1.929 20 30 CDEDRP CC[NH+](CC)CCCNC(=[NH2+])N1CCC(C)CC1 ZINC000122464370 370815414 /nfs/dbraw/zinc/81/54/14/370815414.db2.gz BJNSZSHMJJMGQD-UHFFFAOYSA-N 2 0 254.422 1.765 20 30 CDEDRP C[C@H]1C[N@H+](CCCCC#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362704693 369111879 /nfs/dbraw/zinc/11/18/79/369111879.db2.gz VEZWIJGXUFBSSW-JKSUJKDBSA-N 2 0 278.444 1.638 20 30 CDEDRP C=CCCCC[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000556220151 370241511 /nfs/dbraw/zinc/24/15/11/370241511.db2.gz MBHROJLLXKJCDR-OAHLLOKOSA-N 2 0 252.402 1.997 20 30 CDEDRP COc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)ccc1C#N ZINC000414918041 374221143 /nfs/dbraw/zinc/22/11/43/374221143.db2.gz RQEQVPDLHWBWNQ-CQSZACIVSA-N 2 0 259.353 1.799 20 30 CDEDRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(C#N)cc1 ZINC000118398178 374657018 /nfs/dbraw/zinc/65/70/18/374657018.db2.gz QOZJSSCCLLJCJK-CQSZACIVSA-N 2 0 287.407 1.913 20 30 CDEDRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(C#N)cc1 ZINC000118398176 374657612 /nfs/dbraw/zinc/65/76/12/374657612.db2.gz QOZJSSCCLLJCJK-AWEZNQCLSA-N 2 0 287.407 1.913 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000417533146 377866650 /nfs/dbraw/zinc/86/66/50/377866650.db2.gz UJBAFADXTHFGBB-AWEZNQCLSA-N 2 0 280.416 1.160 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)CCCC[NH3+])CC1 ZINC000417545582 377932173 /nfs/dbraw/zinc/93/21/73/377932173.db2.gz XVBWHDQTBQCZQW-AWEZNQCLSA-N 2 0 296.459 1.844 20 30 CDEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343929307 379020674 /nfs/dbraw/zinc/02/06/74/379020674.db2.gz JCBVPEFQQRDNAN-IXDOHACOSA-N 2 0 295.471 1.271 20 30 CDEDRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(C#N)c1 ZINC000174728335 379557873 /nfs/dbraw/zinc/55/78/73/379557873.db2.gz UYOGZHAWPDRGAY-UHFFFAOYSA-N 2 0 286.423 1.628 20 30 CDEDRP C#CC[N@@H+](C)CCCNc1nc(C(C)C)nc(N(C)C)n1 ZINC000292932142 391016286 /nfs/dbraw/zinc/01/62/86/391016286.db2.gz ZKVKNGNSZDEUAP-UHFFFAOYSA-N 2 0 290.415 1.428 20 30 CDEDRP Cc1ccc(NC(=[NH2+])NC[C@H]2C[NH+]3CCN2CC3)cc1C ZINC000305222295 391199498 /nfs/dbraw/zinc/19/94/98/391199498.db2.gz UJPPOSDZSPZQHV-HNNXBMFYSA-N 2 0 287.411 1.030 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]([NH3+])C1)C(C)C ZINC000417061324 391341768 /nfs/dbraw/zinc/34/17/68/391341768.db2.gz KYXOBTVOOLRTKI-HUUCEWRRSA-N 2 0 294.443 1.428 20 30 CDEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000193301450 393296710 /nfs/dbraw/zinc/29/67/10/393296710.db2.gz ALVHTOCYONNBKO-PMPSAXMXSA-N 2 0 278.444 1.684 20 30 CDEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000069418073 175828591 /nfs/dbraw/zinc/82/85/91/175828591.db2.gz PINLCESPOVWTBU-UHFFFAOYSA-N 2 0 273.380 1.352 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH+](C)C)CC1 ZINC000490616344 261170239 /nfs/dbraw/zinc/17/02/39/261170239.db2.gz KKAPCPMFSVICPX-MRXNPFEDSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000364740256 262260920 /nfs/dbraw/zinc/26/09/20/262260920.db2.gz PYUQEWIGWXOFEB-HZPDHXFCSA-N 2 0 289.423 1.075 20 30 CDEDRP COc1ccc(CCNC(=[NH2+])NC[C@@H](C)C[NH+](C)C)cc1 ZINC000291965321 263126800 /nfs/dbraw/zinc/12/68/00/263126800.db2.gz SCQXBSQEMJEFRN-CYBMUJFWSA-N 2 0 292.427 1.340 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCSC(C)(C)C1 ZINC000126228382 264213421 /nfs/dbraw/zinc/21/34/21/264213421.db2.gz PBCPMQXMFALRQM-ZDUSSCGKSA-N 2 0 298.500 1.731 20 30 CDEDRP CN1CC[NH+](CC2(C)CC[NH+](CCCC#N)CC2)CC1 ZINC000368824173 267208232 /nfs/dbraw/zinc/20/82/32/267208232.db2.gz KPQAUOLYQOURAU-UHFFFAOYSA-N 2 0 278.444 1.640 20 30 CDEDRP C[NH+](C)CCOCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353597684 289170923 /nfs/dbraw/zinc/17/09/23/289170923.db2.gz QUPFOAZOZFGWLG-INIZCTEOSA-N 2 0 273.380 1.713 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC(F)(F)C1 ZINC000262380009 330011782 /nfs/dbraw/zinc/01/17/82/330011782.db2.gz GVPAXLXFLOHIHR-VXGBXAGGSA-N 2 0 288.386 1.810 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCSCC1 ZINC000262523728 330022951 /nfs/dbraw/zinc/02/29/51/330022951.db2.gz JRFYWYWQSGRURW-ZDUSSCGKSA-N 2 0 284.473 1.518 20 30 CDEDRP C=CC[NH+]1CCC(N[C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422854690 330157727 /nfs/dbraw/zinc/15/77/27/330157727.db2.gz BFMKSRXAQXOSKO-ZFWWWQNUSA-N 2 0 251.418 1.757 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001754612089 1159395269 /nfs/dbraw/zinc/39/52/69/1159395269.db2.gz GNUBQUPHFNPEHO-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP COCC#CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401371 483611095 /nfs/dbraw/zinc/61/10/95/483611095.db2.gz VZRFIFVVHAQPII-HUUCEWRRSA-N 2 0 264.413 1.879 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000764311272 575898811 /nfs/dbraw/zinc/89/88/11/575898811.db2.gz SDTYBSSJIXUDQC-ZIAGYGMSSA-N 2 0 281.444 1.588 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000764406483 575904858 /nfs/dbraw/zinc/90/48/58/575904858.db2.gz OQZJIFHFWKQQJI-ZDUSSCGKSA-N 2 0 267.417 1.342 20 30 CDEDRP C1C[C@H]2C(=NNC3=[NH+][C@H]4CCCC[C@H]4N3)CC[N@H+]2C1 ZINC000765585392 576040863 /nfs/dbraw/zinc/04/08/63/576040863.db2.gz ZNHPFERFFCYIKD-LOWVWBTDSA-N 2 0 261.373 1.071 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC)CC[C@H]2C)CC1 ZINC000968682828 613130997 /nfs/dbraw/zinc/13/09/97/613130997.db2.gz VLDLMJKBBQWWGJ-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC000981848437 613142082 /nfs/dbraw/zinc/14/20/82/613142082.db2.gz OFSSZJUHDWKIFF-HNNXBMFYSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000968780398 613146227 /nfs/dbraw/zinc/14/62/27/613146227.db2.gz FEQWIZWZKVHCMY-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@H]1C ZINC000961775405 613279597 /nfs/dbraw/zinc/27/95/97/613279597.db2.gz VATMYUKDVIHFHR-AIANPOQGSA-N 2 0 291.439 1.483 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972733306 613287939 /nfs/dbraw/zinc/28/79/39/613287939.db2.gz BUTNDGYZVOURQL-AWEZNQCLSA-N 2 0 277.412 1.191 20 30 CDEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000970158516 613300456 /nfs/dbraw/zinc/30/04/56/613300456.db2.gz RIHLNSOODNYDQG-CYBMUJFWSA-N 2 0 298.390 1.961 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000970178285 613348106 /nfs/dbraw/zinc/34/81/06/613348106.db2.gz PFORFJFUBLEKMY-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000970330098 613483194 /nfs/dbraw/zinc/48/31/94/613483194.db2.gz ZKDCPBDGCFWPMC-ZNMIVQPWSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977455011 613544343 /nfs/dbraw/zinc/54/43/43/613544343.db2.gz QSHLCHRONINCLJ-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000971673710 613616165 /nfs/dbraw/zinc/61/61/65/613616165.db2.gz JRRWCBBSKHAWRR-HZPDHXFCSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000980244180 613834177 /nfs/dbraw/zinc/83/41/77/613834177.db2.gz XXRLXLHAVKFYCA-ARFHVFGLSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000981312833 613872952 /nfs/dbraw/zinc/87/29/52/613872952.db2.gz YITVNFKMEBGEAA-GJZGRUSLSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000891522176 617458941 /nfs/dbraw/zinc/45/89/41/617458941.db2.gz NTWMFSIDSILKNO-LSDHHAIUSA-N 2 0 292.427 1.173 20 30 CDEDRP CCOCCCNC(=[NH2+])NCCC[NH+]1CCCCCC1 ZINC000104155535 617625789 /nfs/dbraw/zinc/62/57/89/617625789.db2.gz WJIZNAPXRGGKCR-UHFFFAOYSA-N 2 0 284.448 1.583 20 30 CDEDRP C=C(C)CN1CCC([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000892880775 617856530 /nfs/dbraw/zinc/85/65/30/617856530.db2.gz JBVHNEMWRFFCED-UHFFFAOYSA-N 2 0 265.445 1.958 20 30 CDEDRP C=C(C)C[NH+]1CCC(Nc2nc(N)cc(C)[nH+]2)CC1 ZINC000892396374 618139634 /nfs/dbraw/zinc/13/96/34/618139634.db2.gz NANQBVBAXVUUHZ-UHFFFAOYSA-N 2 0 261.373 1.820 20 30 CDEDRP CC[NH+](CC)Cc1ccc(C(=O)NCC#CC[NH+](C)C)o1 ZINC000913517537 630522242 /nfs/dbraw/zinc/52/22/42/630522242.db2.gz FQZQNAUAQMUXRC-UHFFFAOYSA-N 2 0 291.395 1.416 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210219703 1158572012 /nfs/dbraw/zinc/57/20/12/1158572012.db2.gz TUZOYTMJBRCPBU-ZDUSSCGKSA-N 2 0 253.390 1.095 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001131799289 1163055628 /nfs/dbraw/zinc/05/56/28/1163055628.db2.gz LTVZPJAYKBSIJS-UHFFFAOYSA-N 2 0 279.428 1.228 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108756677 1162022647 /nfs/dbraw/zinc/02/26/47/1162022647.db2.gz RFQZPOCEIYIXPZ-ZNMIVQPWSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001113682531 1162255416 /nfs/dbraw/zinc/25/54/16/1162255416.db2.gz GJJPDMRGFHLTHP-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133899479 1163962652 /nfs/dbraw/zinc/96/26/52/1163962652.db2.gz IQSZRSQOWYZONV-UHFFFAOYSA-N 2 0 255.406 1.246 20 30 CDEDRP C#CC[C@H](CCOC)[NH2+][C@@H]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001574504626 1170988718 /nfs/dbraw/zinc/98/87/18/1170988718.db2.gz LHGPVKXWLBWACL-FPCVCCKLSA-N 2 0 264.413 1.925 20 30 CDEDRP Cn1cc(C[NH2+]C2CC([NH3+])C2)c(-c2ccc(C#N)cc2)n1 ZINC001579965059 1172312220 /nfs/dbraw/zinc/31/22/20/1172312220.db2.gz XJVTXGRBIKCQGN-UHFFFAOYSA-N 2 0 281.363 1.538 20 30 CDEDRP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001691856833 1175637712 /nfs/dbraw/zinc/63/77/12/1175637712.db2.gz ORTFSXODTARUPG-JKSUJKDBSA-N 2 0 293.455 1.663 20 30 CDEDRP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001713408777 1178542689 /nfs/dbraw/zinc/54/26/89/1178542689.db2.gz BBEOQJIXXPEHRB-GOEBONIOSA-N 2 0 291.439 1.511 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001716790740 1180415740 /nfs/dbraw/zinc/41/57/40/1180415740.db2.gz MNFQCSGVOGHGTG-MRXNPFEDSA-N 2 0 291.439 1.466 20 30 CDEDRP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001717367336 1180631641 /nfs/dbraw/zinc/63/16/41/1180631641.db2.gz IJXKDWDAZKFAOE-CABCVRRESA-N 2 0 277.412 1.027 20 30 CDEDRP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001732154033 1182810724 /nfs/dbraw/zinc/81/07/24/1182810724.db2.gz NKVZKXPDPAARFD-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001732152961 1182812422 /nfs/dbraw/zinc/81/24/22/1182812422.db2.gz VAUVDWYNYHVCDP-AWEZNQCLSA-N 2 0 279.428 1.178 20 30 CDEDRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccccc1 ZINC001752917145 1184964985 /nfs/dbraw/zinc/96/49/85/1184964985.db2.gz GNDMGWCUMLXTJT-WBVHZDCISA-N 2 0 299.418 1.084 20 30 CDEDRP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001753073626 1185040869 /nfs/dbraw/zinc/04/08/69/1185040869.db2.gz GFSHXRJBAKVLLU-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001753111419 1185067076 /nfs/dbraw/zinc/06/70/76/1185067076.db2.gz IFTNIYHEMFEJRG-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001753242542 1185129559 /nfs/dbraw/zinc/12/95/59/1185129559.db2.gz SJWKDHWMRGGRMF-AWEZNQCLSA-N 2 0 267.417 1.485 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001753446625 1185210629 /nfs/dbraw/zinc/21/06/29/1185210629.db2.gz KLTCFAQEIOCEBE-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001753462439 1185220275 /nfs/dbraw/zinc/22/02/75/1185220275.db2.gz WFGKNLHUYQAUDU-JKSUJKDBSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[NH+]1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001753597496 1185261774 /nfs/dbraw/zinc/26/17/74/1185261774.db2.gz WBBIPDVETNIVRM-UHFFFAOYSA-N 2 0 267.417 1.342 20 30 CDEDRP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001753993373 1185421247 /nfs/dbraw/zinc/42/12/47/1185421247.db2.gz SWWDBLSZKHHDSO-HUUCEWRRSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001754267815 1185541452 /nfs/dbraw/zinc/54/14/52/1185541452.db2.gz YOHJTAQMSGJVOL-LSDHHAIUSA-N 2 0 281.444 1.920 20 30 CDEDRP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001754311033 1185569856 /nfs/dbraw/zinc/56/98/56/1185569856.db2.gz NVIPVLYIBYILER-KGLIPLIRSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CC[NH2+]CCCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001754382327 1185604484 /nfs/dbraw/zinc/60/44/84/1185604484.db2.gz RJHKIMYJGCLTIE-UHFFFAOYSA-N 2 0 293.455 1.711 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001754673757 1185700961 /nfs/dbraw/zinc/70/09/61/1185700961.db2.gz GVTSUQZLHRBJGY-HOCLYGCPSA-N 2 0 299.434 1.823 20 30 CDEDRP C=CCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001755115165 1185821679 /nfs/dbraw/zinc/82/16/79/1185821679.db2.gz ZHEZUNHPYZRWBS-HIFRSBDPSA-N 2 0 279.428 1.341 20 30 CDEDRP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001755315483 1185912603 /nfs/dbraw/zinc/91/26/03/1185912603.db2.gz RGDINLDXMRIZOQ-HUUCEWRRSA-N 2 0 281.444 1.567 20 30 CDEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001755369047 1185930726 /nfs/dbraw/zinc/93/07/26/1185930726.db2.gz SGGSQXKSMBCYOY-OAHLLOKOSA-N 2 0 279.428 1.322 20 30 CDEDRP C#CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C(C)(C)C1 ZINC001755412004 1185945357 /nfs/dbraw/zinc/94/53/57/1185945357.db2.gz JAXXBAHKINENAG-HNNXBMFYSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001755523013 1185979033 /nfs/dbraw/zinc/97/90/33/1185979033.db2.gz QZIMLTMPKIOGEK-RDJZCZTQSA-N 2 0 291.439 1.370 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000849022819 705430927 /nfs/dbraw/zinc/43/09/27/705430927.db2.gz ZLKLVSMWTROPOH-ZDUSSCGKSA-N 2 0 268.405 1.177 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000999347329 705471276 /nfs/dbraw/zinc/47/12/76/705471276.db2.gz JFZRIVPEPFKKKR-HOTGVXAUSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001032454155 705474549 /nfs/dbraw/zinc/47/45/49/705474549.db2.gz GGMZCDMHAVQYJR-JYJNAYRXSA-N 2 0 289.423 1.169 20 30 CDEDRP C[C@H]1CCC[C@](CNC(=[NH2+])N(C)C2CC2)([NH+](C)C)C1 ZINC000305816032 705524336 /nfs/dbraw/zinc/52/43/36/705524336.db2.gz MGEPWXQGBFERBP-WFASDCNBSA-N 2 0 266.433 1.906 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001014709031 705529569 /nfs/dbraw/zinc/52/95/69/705529569.db2.gz YTRKZWQWPFRZPR-HZPDHXFCSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001045440978 705632671 /nfs/dbraw/zinc/63/26/71/705632671.db2.gz SOSJGIJUANAMPH-LSDHHAIUSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001016336511 705662953 /nfs/dbraw/zinc/66/29/53/705662953.db2.gz BPXWVFTZKNGRAW-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000303874506 705676837 /nfs/dbraw/zinc/67/68/37/705676837.db2.gz HFTUINDCVQAGBS-ZBFHGGJFSA-N 2 0 298.475 1.828 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001039050712 705745856 /nfs/dbraw/zinc/74/58/56/705745856.db2.gz PISNWFNUJYNAPK-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024634222 705757936 /nfs/dbraw/zinc/75/79/36/705757936.db2.gz SRQZYAVAAPLXHI-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000985803904 705783513 /nfs/dbraw/zinc/78/35/13/705783513.db2.gz KHFUKYDRVWYWCQ-HUUCEWRRSA-N 2 0 293.455 1.968 20 30 CDEDRP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])N2CCC[C@H](C)C2)C1 ZINC000303905003 705821562 /nfs/dbraw/zinc/82/15/62/705821562.db2.gz VHKQLMHLVLRUJN-KGLIPLIRSA-N 2 0 266.433 1.765 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031765613 705833759 /nfs/dbraw/zinc/83/37/59/705833759.db2.gz JBSPZTBWAJSMFA-HZPDHXFCSA-N 2 0 291.439 1.627 20 30 CDEDRP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001050074549 705838967 /nfs/dbraw/zinc/83/89/67/705838967.db2.gz LFFWRUMPNCUICE-ARFHVFGLSA-N 2 0 291.439 1.273 20 30 CDEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001006398008 706013165 /nfs/dbraw/zinc/01/31/65/706013165.db2.gz CFQFDQQKORLQNJ-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000922325513 706070219 /nfs/dbraw/zinc/07/02/19/706070219.db2.gz CVUNDAAAQNRRJP-UHFFFAOYSA-N 2 0 281.444 1.829 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028658763 706164910 /nfs/dbraw/zinc/16/49/10/706164910.db2.gz GFBXUZZDDHDRFS-OAHLLOKOSA-N 2 0 289.423 1.076 20 30 CDEDRP C#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001024469563 706235615 /nfs/dbraw/zinc/23/56/15/706235615.db2.gz SVHCGFWEKOLHFM-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001038241867 706239694 /nfs/dbraw/zinc/23/96/94/706239694.db2.gz WVKUMCCCHRNWRQ-CABCVRRESA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052938162 706248140 /nfs/dbraw/zinc/24/81/40/706248140.db2.gz SAKJBBBACRGYFY-HNNXBMFYSA-N 2 0 279.428 1.629 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001022069599 709494338 /nfs/dbraw/zinc/49/43/38/709494338.db2.gz LSYJYXMAHWOSHI-MJBXVCDLSA-N 2 0 299.846 1.849 20 30 CDEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000304756090 709510082 /nfs/dbraw/zinc/51/00/82/709510082.db2.gz NKAWGDSPBSKHFW-LBPRGKRZSA-N 2 0 276.384 1.764 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015890504 709566168 /nfs/dbraw/zinc/56/61/68/709566168.db2.gz QLCOZZJDWLVXNU-AWEZNQCLSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001044796225 709827908 /nfs/dbraw/zinc/82/79/08/709827908.db2.gz IKUZYDHGKDEXGF-JKSUJKDBSA-N 2 0 291.439 1.321 20 30 CDEDRP CCCCCCCCNC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000305224341 709873379 /nfs/dbraw/zinc/87/33/79/709873379.db2.gz VEUAHNWOTVNYFK-OAHLLOKOSA-N 2 0 295.475 1.251 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000996855845 709983141 /nfs/dbraw/zinc/98/31/41/709983141.db2.gz ILVQPUVTSDMNOR-INIZCTEOSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CCN1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001007747692 710009108 /nfs/dbraw/zinc/00/91/08/710009108.db2.gz QZVDGPYTEDIBQI-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CC[NH+]1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031258334 710014536 /nfs/dbraw/zinc/01/45/36/710014536.db2.gz HUVDUNBYSOHYQE-ZDUSSCGKSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001049841077 710035942 /nfs/dbraw/zinc/03/59/42/710035942.db2.gz QOCPUQWNKOHFDJ-BZUAXINKSA-N 2 0 291.439 1.580 20 30 CDEDRP C#CCN1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001015972175 710055008 /nfs/dbraw/zinc/05/50/08/710055008.db2.gz HKVIDKCZPXHUMQ-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001023128605 710225381 /nfs/dbraw/zinc/22/53/81/710225381.db2.gz LUEUSTGOFVMIQF-ZNMIVQPWSA-N 2 0 279.428 1.674 20 30 CDEDRP N#CC1CCC(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925653623 710241416 /nfs/dbraw/zinc/24/14/16/710241416.db2.gz IKHAZNZCAWCQHT-KNFZOUACSA-N 2 0 259.397 1.902 20 30 CDEDRP C#CCCC[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000832544513 710272089 /nfs/dbraw/zinc/27/20/89/710272089.db2.gz OLTLJDDQHPXRJP-UHFFFAOYSA-N 2 0 251.418 1.406 20 30 CDEDRP C[C@H](CNC(=[NH2+])Nc1ccccn1)[N@@H+]1CCC[C@H](C)C1 ZINC000245903699 710316245 /nfs/dbraw/zinc/31/62/45/710316245.db2.gz LSRVCUFGSBPIMW-QWHCGFSZSA-N 2 0 275.400 1.929 20 30 CDEDRP CCCCCCCCNC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000305224339 710344295 /nfs/dbraw/zinc/34/42/95/710344295.db2.gz VEUAHNWOTVNYFK-HNNXBMFYSA-N 2 0 295.475 1.251 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOCC1CC1 ZINC000303781669 710561969 /nfs/dbraw/zinc/56/19/69/710561969.db2.gz MOSIITAZYYPHGG-AWEZNQCLSA-N 2 0 282.432 1.192 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001027463971 710623141 /nfs/dbraw/zinc/62/31/41/710623141.db2.gz BAEMNZPXYLNQLI-CABCVRRESA-N 2 0 277.412 1.027 20 30 CDEDRP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001026496191 710761508 /nfs/dbraw/zinc/76/15/08/710761508.db2.gz PPWNFYQYZJVMKV-PRLABOORSA-N 2 0 293.455 1.920 20 30 CDEDRP C=CCCN1CC(N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001043602316 710809310 /nfs/dbraw/zinc/80/93/10/710809310.db2.gz GWRZWFDWNIWJBF-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[NH2+]C1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001026540743 710823488 /nfs/dbraw/zinc/82/34/88/710823488.db2.gz XLRRILHYZKVKKH-UHFFFAOYSA-N 2 0 291.439 1.511 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001023273118 710845018 /nfs/dbraw/zinc/84/50/18/710845018.db2.gz JDMRRQWKYSQUQX-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001016336514 711369790 /nfs/dbraw/zinc/36/97/90/711369790.db2.gz BPXWVFTZKNGRAW-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001022076971 711496146 /nfs/dbraw/zinc/49/61/46/711496146.db2.gz GYMLJQNWPDLDQW-CAOSSQGBSA-N 2 0 291.439 1.674 20 30 CDEDRP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001054099965 711552602 /nfs/dbraw/zinc/55/26/02/711552602.db2.gz SPKFBEXQORXORX-DOTOQJQBSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001000991660 711647957 /nfs/dbraw/zinc/64/79/57/711647957.db2.gz JMQFZDYEQIUVES-INIZCTEOSA-N 2 0 299.418 1.576 20 30 CDEDRP C[NH+](C)[C@@H](CNC(=[NH2+])NCCc1ccccc1)C1CC1 ZINC000303870807 711699308 /nfs/dbraw/zinc/69/93/08/711699308.db2.gz FNUHRFUCEIPTMQ-HNNXBMFYSA-N 2 0 274.412 1.474 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001027893084 711703935 /nfs/dbraw/zinc/70/39/35/711703935.db2.gz MHWBBRIWQOSXKV-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)CN1CC[C@@H](N(C)C(=O)Cn2cncc2C)C1 ZINC001033266456 711710768 /nfs/dbraw/zinc/71/07/68/711710768.db2.gz PCYZBTYBRBNKIF-CYBMUJFWSA-N 2 0 296.802 1.477 20 30 CDEDRP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001041141135 711717806 /nfs/dbraw/zinc/71/78/06/711717806.db2.gz MCGZVTOVDSODJR-DOTOQJQBSA-N 2 0 291.439 1.581 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049896247 711726775 /nfs/dbraw/zinc/72/67/75/711726775.db2.gz LZQOZLHXVCJSCU-HZPDHXFCSA-N 2 0 289.423 1.171 20 30 CDEDRP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034526600 711729472 /nfs/dbraw/zinc/72/94/72/711729472.db2.gz ZOZSZTXLJVEAHE-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP CCOCCCNC(=[NH2+])NCCCC[NH+]1CCC(C)CC1 ZINC000303876178 711764935 /nfs/dbraw/zinc/76/49/35/711764935.db2.gz DTGPZALHTXBBKX-UHFFFAOYSA-N 2 0 298.475 1.829 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@@H](CC(C)C)[NH+]1CCCC1 ZINC000303769444 711765276 /nfs/dbraw/zinc/76/52/76/711765276.db2.gz BAPXSACWSQHIOQ-CQSZACIVSA-N 2 0 266.433 1.977 20 30 CDEDRP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046329675 711788696 /nfs/dbraw/zinc/78/86/96/711788696.db2.gz BXRPYZIPABOGQO-UXLLHSPISA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001028633091 711792575 /nfs/dbraw/zinc/79/25/75/711792575.db2.gz WPJYGZWECNZSNR-ZDUSSCGKSA-N 2 0 296.374 1.638 20 30 CDEDRP C=CC[C@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000883432956 711796717 /nfs/dbraw/zinc/79/67/17/711796717.db2.gz FFCILRWZBBSQOP-CFVMTHIKSA-N 2 0 292.427 1.171 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001032114320 711799002 /nfs/dbraw/zinc/79/90/02/711799002.db2.gz AQXYJGVYHUULSV-UHFFFAOYSA-N 2 0 291.439 1.342 20 30 CDEDRP C[NH+](C)CC1(O)CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000931480633 711802545 /nfs/dbraw/zinc/80/25/45/711802545.db2.gz HBHTXXVIBIXNKM-UHFFFAOYSA-N 2 0 287.407 1.641 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996614365 711825099 /nfs/dbraw/zinc/82/50/99/711825099.db2.gz MTTMWYRLNQGFPI-ZDUSSCGKSA-N 2 0 265.401 1.095 20 30 CDEDRP C[C@H]1CCCN(C(=[NH2+])NCC2([NH+](C)C)CCOCC2)C1 ZINC000304742673 711834657 /nfs/dbraw/zinc/83/46/57/711834657.db2.gz CUSNVSFTXADXAD-ZDUSSCGKSA-N 2 0 282.432 1.144 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001088939539 912338560 /nfs/dbraw/zinc/33/85/60/912338560.db2.gz VOOMCDDEYQYZLU-CVEARBPZSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174649216 913291974 /nfs/dbraw/zinc/29/19/74/913291974.db2.gz BMSHLAWKNGEFNC-HNNXBMFYSA-N 2 0 293.455 1.759 20 30 CDEDRP N#Cc1ccc([C@H](O)C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000402159423 894154556 /nfs/dbraw/zinc/15/45/56/894154556.db2.gz PKLLLLAZBABMSI-OAHLLOKOSA-N 2 0 259.353 1.262 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001208260910 894158069 /nfs/dbraw/zinc/15/80/69/894158069.db2.gz HLZPZTUBAJKSTG-HUUCEWRRSA-N 2 0 297.418 1.270 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001104678818 898876420 /nfs/dbraw/zinc/87/64/20/898876420.db2.gz CNJNCDOUVLSJPL-BZUAXINKSA-N 2 0 291.439 1.036 20 30 CDEDRP N#Cc1ccc(NC(=[NH2+])NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC001167881183 901631806 /nfs/dbraw/zinc/63/18/06/901631806.db2.gz FJUCAHBJIBAZMB-UHFFFAOYSA-N 2 0 276.300 1.142 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168029793 905935322 /nfs/dbraw/zinc/93/53/22/905935322.db2.gz JZQPGKVCZFOXHA-GJZGRUSLSA-N 2 0 277.412 1.123 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001088413418 907128010 /nfs/dbraw/zinc/12/80/10/907128010.db2.gz FWXYTNFRGCZHSI-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001088424827 907150739 /nfs/dbraw/zinc/15/07/39/907150739.db2.gz GWJZETQNTVATGU-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001038113478 909216770 /nfs/dbraw/zinc/21/67/70/909216770.db2.gz BGKORKGGGHZZSZ-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001092604295 909470898 /nfs/dbraw/zinc/47/08/98/909470898.db2.gz DUHLJDNXASMKEI-OAGGEKHMSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001094935754 911857370 /nfs/dbraw/zinc/85/73/70/911857370.db2.gz LZCPBTPJAJFFSB-ZNMIVQPWSA-N 2 0 291.439 1.626 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC001120456130 911950891 /nfs/dbraw/zinc/95/08/91/911950891.db2.gz PJYRPGVLWHJTHX-AVGNSLFASA-N 2 0 253.390 1.304 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001106899685 914894023 /nfs/dbraw/zinc/89/40/23/914894023.db2.gz ICFIICQWMCPVHF-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001178698570 915586787 /nfs/dbraw/zinc/58/67/87/915586787.db2.gz MAZGKAOEZWPUAZ-INIZCTEOSA-N 2 0 293.455 1.616 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001178816221 915663658 /nfs/dbraw/zinc/66/36/58/915663658.db2.gz XOZNNCWVUJMVMM-OAHLLOKOSA-N 2 0 281.444 1.616 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001180226865 916203092 /nfs/dbraw/zinc/20/30/92/916203092.db2.gz QEKQOWJUUAUWEU-KBPBESRZSA-N 2 0 267.417 1.482 20 30 CDEDRP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001097976101 936486013 /nfs/dbraw/zinc/48/60/13/936486013.db2.gz UAVCEBPYIKKIMA-OAGGEKHMSA-N 2 0 289.423 1.073 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185248640 919498621 /nfs/dbraw/zinc/49/86/21/919498621.db2.gz JHIXODUDZPSANT-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001078809577 920470544 /nfs/dbraw/zinc/47/05/44/920470544.db2.gz JUZAKXYQXWJZNZ-CABCVRRESA-N 2 0 291.439 1.675 20 30 CDEDRP C[C@H]1C[NH+]=C(NCCC[N@H+](C)Cc2ccccc2)N1 ZINC000393944401 936673769 /nfs/dbraw/zinc/67/37/69/936673769.db2.gz NLORNAZLWDNBMD-ZDUSSCGKSA-N 2 0 260.385 1.446 20 30 CDEDRP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190238010 921925880 /nfs/dbraw/zinc/92/58/80/921925880.db2.gz HQGPOZYXKFTVJK-BZUAXINKSA-N 2 0 293.455 1.826 20 30 CDEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190743925 922170560 /nfs/dbraw/zinc/17/05/60/922170560.db2.gz NSXVHLKQCPWTSM-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190945822 922302366 /nfs/dbraw/zinc/30/23/66/922302366.db2.gz FQTJPZXKUFVUID-GJZGRUSLSA-N 2 0 277.412 1.027 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128784911 922435277 /nfs/dbraw/zinc/43/52/77/922435277.db2.gz OPENYCATUFCOKM-CQSZACIVSA-N 2 0 267.417 1.533 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192007903 922870571 /nfs/dbraw/zinc/87/05/71/922870571.db2.gz SPZIWUMJFMVOAB-ZDUSSCGKSA-N 2 0 253.390 1.047 20 30 CDEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001192343755 923017133 /nfs/dbraw/zinc/01/71/33/923017133.db2.gz QYNQICYLHCXKHK-GJZGRUSLSA-N 2 0 277.412 1.027 20 30 CDEDRP C=CCN1CC2(CCC1=O)CC[NH+](CCC[NH+](C)C)CC2 ZINC001273712174 924811771 /nfs/dbraw/zinc/81/17/71/924811771.db2.gz QJEOVBRWOXOFSO-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100985028 936951287 /nfs/dbraw/zinc/95/12/87/936951287.db2.gz YTNKESCNKWVEQC-UHFFFAOYSA-N 2 0 285.819 1.319 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001082515175 924951207 /nfs/dbraw/zinc/95/12/07/924951207.db2.gz CTUDZFHREJSQIY-FVQBIDKESA-N 2 0 291.439 1.341 20 30 CDEDRP C#CCOC[C@H](O)C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001251847415 925570977 /nfs/dbraw/zinc/57/09/77/925570977.db2.gz FIIGFLFJYWNMCB-MRXNPFEDSA-N 2 0 282.428 1.049 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001085519769 926110207 /nfs/dbraw/zinc/11/02/07/926110207.db2.gz XEGSDUXODODTMR-KGLIPLIRSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001201053630 926194310 /nfs/dbraw/zinc/19/43/10/926194310.db2.gz VDICRBCDFPPCEC-HNNXBMFYSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203324349 926235635 /nfs/dbraw/zinc/23/56/35/926235635.db2.gz HEXUZRJDCYEHDT-LSDHHAIUSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201277294 926253116 /nfs/dbraw/zinc/25/31/16/926253116.db2.gz POKRAOLDSXTEDK-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085673241 926273999 /nfs/dbraw/zinc/27/39/99/926273999.db2.gz SKLOAODZIZKZRW-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001086089805 926687878 /nfs/dbraw/zinc/68/78/78/926687878.db2.gz RGXRUVWJBRGCLK-LJISPDSOSA-N 2 0 279.428 1.387 20 30 CDEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103396030 937139875 /nfs/dbraw/zinc/13/98/75/937139875.db2.gz ZKIMJGMCOHWVKL-GDBMZVCRSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108756211 928628745 /nfs/dbraw/zinc/62/87/45/928628745.db2.gz CTRYEZYAMJNGKP-ZNMIVQPWSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001108830821 928656122 /nfs/dbraw/zinc/65/61/22/928656122.db2.gz YGKWJDFNSYIWIJ-JYJNAYRXSA-N 2 0 293.455 1.872 20 30 CDEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109402274 928920017 /nfs/dbraw/zinc/92/00/17/928920017.db2.gz LNIZPTXAZKNZCE-FXUDXRNXSA-N 2 0 291.439 1.624 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001086533235 929097267 /nfs/dbraw/zinc/09/72/67/929097267.db2.gz BZRCPSVQBZETGY-VGWMRTNUSA-N 2 0 291.439 1.224 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152148789 937339095 /nfs/dbraw/zinc/33/90/95/937339095.db2.gz RIAWLTILVDXXJW-KBPBESRZSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)Cc1c[nH]cn1 ZINC001134392895 929724226 /nfs/dbraw/zinc/72/42/26/929724226.db2.gz ALGBEONIFLKHDG-LLVKDONJSA-N 2 0 250.346 1.013 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001135477514 930226844 /nfs/dbraw/zinc/22/68/44/930226844.db2.gz HEZIMVQARNMWAV-CYBMUJFWSA-N 2 0 289.851 1.811 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC001115731210 937417289 /nfs/dbraw/zinc/41/72/89/937417289.db2.gz ZUXHWAMBEVFTAN-LSDHHAIUSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135861824 930481325 /nfs/dbraw/zinc/48/13/25/930481325.db2.gz XXFHUIXDHOBAEY-HUUCEWRRSA-N 2 0 299.459 1.404 20 30 CDEDRP N#Cc1ccc(C(F)(F)F)nc1N[C@H]([NH3+])CCC[NH3+] ZINC001170893603 930686664 /nfs/dbraw/zinc/68/66/64/930686664.db2.gz COPGJQOXZFWWAD-VIFPVBQESA-N 2 0 273.262 1.408 20 30 CDEDRP N#Cc1c[nH]c2nc(Cl)cc(N[C@@H]([NH3+])CCC[NH3+])c12 ZINC001170897033 930690673 /nfs/dbraw/zinc/69/06/73/930690673.db2.gz KGPBXMPGZJCBJH-SNVBAGLBSA-N 2 0 278.747 1.524 20 30 CDEDRP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)cn1 ZINC001275034521 931638664 /nfs/dbraw/zinc/63/86/64/931638664.db2.gz MBALFUTZJGQSPN-CALCHBBNSA-N 2 0 299.422 1.163 20 30 CDEDRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C1 ZINC001275968688 932180323 /nfs/dbraw/zinc/18/03/23/932180323.db2.gz JAIYAENOEJIYHO-ZWKOTPCHSA-N 2 0 298.434 1.626 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146594862 932269720 /nfs/dbraw/zinc/26/97/20/932269720.db2.gz VQOUNNSAFUTSLA-STQMWFEESA-N 2 0 255.406 1.386 20 30 CDEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001111234227 934292615 /nfs/dbraw/zinc/29/26/15/934292615.db2.gz CQQNKXSKGPODDM-KFWWJZLASA-N 2 0 279.428 1.626 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001120016566 937774081 /nfs/dbraw/zinc/77/40/81/937774081.db2.gz SLVSQAYFRDFYNE-UHFFFAOYSA-N 2 0 291.439 1.677 20 30 CDEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114781789 934965900 /nfs/dbraw/zinc/96/59/00/934965900.db2.gz XHSWHMNVHRPLSV-QLPKVWCKSA-N 2 0 295.471 1.955 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001044859023 935872167 /nfs/dbraw/zinc/87/21/67/935872167.db2.gz YWTPYSQVWVAQMI-UONOGXRCSA-N 2 0 299.846 1.804 20 30 CDEDRP C#CC[NH2+]C1CC2(CC(NC(=O)CCCC[NH+](C)C)C2)C1 ZINC001122086754 937904504 /nfs/dbraw/zinc/90/45/04/937904504.db2.gz COECROPPSVHJIP-UHFFFAOYSA-N 2 0 291.439 1.369 20 30 CDEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158444614 938626929 /nfs/dbraw/zinc/62/69/29/938626929.db2.gz DQQHLAHSJPSVQR-MRXNPFEDSA-N 2 0 293.455 1.664 20 30 CDEDRP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160353032 938782066 /nfs/dbraw/zinc/78/20/66/938782066.db2.gz NOXOIEVGRNTKNU-MRXNPFEDSA-N 2 0 289.423 1.098 20 30 CDEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001160499623 938791783 /nfs/dbraw/zinc/79/17/83/938791783.db2.gz FOMLVCZMKABVQT-INIZCTEOSA-N 2 0 291.439 1.795 20 30 CDEDRP C=CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C1CCCCC1 ZINC001161248290 938882869 /nfs/dbraw/zinc/88/28/69/938882869.db2.gz XFBJQAWHYWEXSJ-CYBMUJFWSA-N 2 0 253.390 1.400 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001163247998 939232062 /nfs/dbraw/zinc/23/20/62/939232062.db2.gz KAAXHMNLZDSLBA-UHFFFAOYSA-N 2 0 293.455 1.618 20 30 CDEDRP CN(C)C1(C[NH2+]C#C[Si](C)(C)C)CC[NH+](C)CC1 ZINC001164210212 939430439 /nfs/dbraw/zinc/43/04/39/939430439.db2.gz ASIQPMDVLAPBNC-UHFFFAOYSA-N 2 0 267.493 1.440 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001165609518 939572177 /nfs/dbraw/zinc/57/21/77/939572177.db2.gz HFMWEMSXRDDVHO-AWEZNQCLSA-N 2 0 281.444 1.635 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203633047 939699089 /nfs/dbraw/zinc/69/90/89/939699089.db2.gz WASJQYJBBBKSSY-CABCVRRESA-N 2 0 291.439 1.369 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001205457683 939891227 /nfs/dbraw/zinc/89/12/27/939891227.db2.gz KTTVHLAQYNIONR-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001207232144 940169176 /nfs/dbraw/zinc/16/91/76/940169176.db2.gz QTAAQRRGJZYJIN-RBSFLKMASA-N 2 0 299.434 1.679 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001209250908 940452814 /nfs/dbraw/zinc/45/28/14/940452814.db2.gz JINJQOHGNYHXCF-HRCADAONSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211065349 940728145 /nfs/dbraw/zinc/72/81/45/940728145.db2.gz VBIHKOKDIIPSNE-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211090260 940729953 /nfs/dbraw/zinc/72/99/53/940729953.db2.gz ITVDSJFLYAZEPK-CQSZACIVSA-N 2 0 265.401 1.239 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211267474 940744658 /nfs/dbraw/zinc/74/46/58/940744658.db2.gz BCFZYKHPLKUADH-CYBMUJFWSA-N 2 0 253.390 1.093 20 30 CDEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211429473 940753995 /nfs/dbraw/zinc/75/39/95/940753995.db2.gz LWXJFEZNOHKVJJ-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215056775 940854343 /nfs/dbraw/zinc/85/43/43/940854343.db2.gz HIPUOPXUTKMKIO-HUUCEWRRSA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215536211 940893323 /nfs/dbraw/zinc/89/33/23/940893323.db2.gz MOCZOKGGYFYBCD-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC001219345212 941333537 /nfs/dbraw/zinc/33/35/37/941333537.db2.gz CBFKISIIJUZYIT-INIZCTEOSA-N 2 0 294.358 1.525 20 30 CDEDRP N#CC1(NC(=O)C2([NH3+])CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001220643424 941460677 /nfs/dbraw/zinc/46/06/77/941460677.db2.gz DRADDZTXEYAGBA-UHFFFAOYSA-N 2 0 298.390 1.152 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)C1CCC(C[NH3+])CC1 ZINC001220868899 941479543 /nfs/dbraw/zinc/47/95/43/941479543.db2.gz YMZIHFPFSIIAGM-NRXISQOPSA-N 2 0 279.428 1.518 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221588229 941543924 /nfs/dbraw/zinc/54/39/24/941543924.db2.gz ZAWDFQMBKQKJBE-RBSFLKMASA-N 2 0 297.418 1.385 20 30 CDEDRP C#CCN1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001221810011 941552046 /nfs/dbraw/zinc/55/20/46/941552046.db2.gz BDSWMUXFWFJVNC-OWCLPIDISA-N 2 0 291.439 1.273 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001221968009 941555983 /nfs/dbraw/zinc/55/59/83/941555983.db2.gz BWHAVXWWFCICMV-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001223838437 941701964 /nfs/dbraw/zinc/70/19/64/941701964.db2.gz ITBJIUKGNMIDRZ-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001227877723 942240639 /nfs/dbraw/zinc/24/06/39/942240639.db2.gz XDPSDVLOQQYYKI-OAHLLOKOSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001230141301 942587379 /nfs/dbraw/zinc/58/73/79/942587379.db2.gz FGOZNZWHAPFYOY-RBSFLKMASA-N 2 0 279.428 1.531 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001263172172 943774681 /nfs/dbraw/zinc/77/46/81/943774681.db2.gz MJEDZYGLGJISAT-IHRRRGAJSA-N 2 0 267.417 1.637 20 30 CDEDRP C=CC[NH2+]CCN1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235350456 944132199 /nfs/dbraw/zinc/13/21/99/944132199.db2.gz ZXIQYOSDXRZKBM-QZTJIDSGSA-N 2 0 285.435 1.841 20 30 CDEDRP CCCCCCCC[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246026054 947906811 /nfs/dbraw/zinc/90/68/11/947906811.db2.gz HZWGNMSZRQURTR-ZACQAIPSSA-N 2 0 298.471 1.612 20 30 CDEDRP CCCCCCCC[C@@H](O)CN1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246068164 947924077 /nfs/dbraw/zinc/92/40/77/947924077.db2.gz ZEFQGYBWJNDUPE-HUUCEWRRSA-N 2 0 284.444 1.757 20 30 CDEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001246079297 947930909 /nfs/dbraw/zinc/93/09/09/947930909.db2.gz DFBQQVORACCONC-UHOFOFEASA-N 2 0 291.370 1.141 20 30 CDEDRP C[NH+]1CCC(C#N)(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255672694 948066040 /nfs/dbraw/zinc/06/60/40/948066040.db2.gz OJAGENTWFIBPEF-GOOCMWNKSA-N 2 0 276.428 1.579 20 30 CDEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246310139 948097724 /nfs/dbraw/zinc/09/77/24/948097724.db2.gz ZECPQORCWMEXTG-IXXDHKBRSA-N 2 0 295.427 1.086 20 30 CDEDRP C[C@H]1C[C@H]([NH2+]CCOc2cccc(C#N)c2)CC[NH2+]1 ZINC001246328535 948109552 /nfs/dbraw/zinc/10/95/52/948109552.db2.gz YTRAYNOEOLOBGV-GXTWGEPZSA-N 2 0 259.353 1.667 20 30 CDEDRP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246541375 948241345 /nfs/dbraw/zinc/24/13/45/948241345.db2.gz HCBUCXOOIXFWLN-PBHICJAKSA-N 2 0 287.407 1.665 20 30 CDEDRP N#CCC[N@H+](C1CCCC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246770727 948429582 /nfs/dbraw/zinc/42/95/82/948429582.db2.gz RUTPNAWHRUUAIS-CQSZACIVSA-N 2 0 262.401 1.239 20 30 CDEDRP C=CCCCCCC[C@H](O)C[NH2+]CCN1CC[NH+](C)CC1 ZINC001253246733 951824950 /nfs/dbraw/zinc/82/49/50/951824950.db2.gz TWBOLOGZFGTQMT-KRWDZBQOSA-N 2 0 297.487 1.711 20 30 CDEDRP C=C[C@@H](O)C[NH2+]CC1CC[NH+](Cc2ccccn2)CC1 ZINC001253606486 951991103 /nfs/dbraw/zinc/99/11/03/951991103.db2.gz IIPTYDXTKHIRED-MRXNPFEDSA-N 2 0 275.396 1.430 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC001333711519 958535276 /nfs/dbraw/zinc/53/52/76/958535276.db2.gz RIRPRMFKUHMRSR-AWEZNQCLSA-N 2 0 294.443 1.278 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(CC)CCC[NH+](C)C ZINC001341856512 963562124 /nfs/dbraw/zinc/56/21/24/963562124.db2.gz CQSISSLRHFACLG-CYBMUJFWSA-N 2 0 255.406 1.470 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001341945211 963586483 /nfs/dbraw/zinc/58/64/83/963586483.db2.gz XTFWEAYTBVLIKA-HOTGVXAUSA-N 2 0 287.407 1.843 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1C ZINC001343303361 963947489 /nfs/dbraw/zinc/94/74/89/963947489.db2.gz WGMIQNKOLOQZOD-CHWSQXEVSA-N 2 0 253.390 1.271 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002127454 967946535 /nfs/dbraw/zinc/94/65/35/967946535.db2.gz RKRWWXPLHFKWOT-HNNXBMFYSA-N 2 0 279.428 1.342 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001100320767 968006404 /nfs/dbraw/zinc/00/64/04/968006404.db2.gz RLTXTODIPPKHKT-GPANFISMSA-N 2 0 293.455 1.920 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001378506301 975370351 /nfs/dbraw/zinc/37/03/51/975370351.db2.gz RUYICQZRCRZEME-CYBMUJFWSA-N 2 0 287.835 1.661 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001381271721 976736474 /nfs/dbraw/zinc/73/64/74/976736474.db2.gz HAWLFPDWTLQYCA-UONOGXRCSA-N 2 0 299.846 1.804 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001392538644 977474264 /nfs/dbraw/zinc/47/42/64/977474264.db2.gz XXNAGTQTFPBOJB-CYBMUJFWSA-N 2 0 287.835 1.709 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132376776 1163260748 /nfs/dbraw/zinc/26/07/48/1163260748.db2.gz QSQWLZWNEVPYIH-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCCCCC[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000351623136 361813133 /nfs/dbraw/zinc/81/31/33/361813133.db2.gz OKKICYJTKNUACS-UHFFFAOYSA-N 2 0 267.417 1.487 20 30 CDEDRP CC(C)([NH3+])CNC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593322078 342788400 /nfs/dbraw/zinc/78/84/00/342788400.db2.gz KCRPGVXFYFCXTE-UHFFFAOYSA-N 2 0 286.423 1.850 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](C)[NH+](C)C)C(C)C ZINC000635559749 361981097 /nfs/dbraw/zinc/98/10/97/361981097.db2.gz IGGGVNHHAIZESM-CABCVRRESA-N 2 0 281.444 1.751 20 30 CDEDRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442782182 362089465 /nfs/dbraw/zinc/08/94/65/362089465.db2.gz QRQFWXBONDBXQK-GDBMZVCRSA-N 2 0 299.422 1.615 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595946071 343205531 /nfs/dbraw/zinc/20/55/31/343205531.db2.gz QKPITFHWIBFMFB-HIFRSBDPSA-N 2 0 292.427 1.531 20 30 CDEDRP C=CCCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000172177651 342448819 /nfs/dbraw/zinc/44/88/19/342448819.db2.gz RSKZVJDZGMGIGR-UHFFFAOYSA-N 2 0 267.417 1.342 20 30 CDEDRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000093492302 345191560 /nfs/dbraw/zinc/19/15/60/345191560.db2.gz VNTZJQRWZMYACQ-UHFFFAOYSA-N 2 0 292.452 1.735 20 30 CDEDRP CC[NH+](CC)Cc1ccccc1CNC(NC)=[NH+]C ZINC000057887330 348850692 /nfs/dbraw/zinc/85/06/92/348850692.db2.gz VMIBHDSMFVOZKR-UHFFFAOYSA-N 2 0 262.401 1.823 20 30 CDEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(C#N)n1 ZINC000602620375 350133026 /nfs/dbraw/zinc/13/30/26/350133026.db2.gz VYCBULPUIJNTAO-CQSZACIVSA-N 2 0 287.411 1.069 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000264050761 362952323 /nfs/dbraw/zinc/95/23/23/362952323.db2.gz MATABWUCOLCYNQ-LLVKDONJSA-N 2 0 264.373 1.427 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1ccccc1 ZINC000264069190 362957010 /nfs/dbraw/zinc/95/70/10/362957010.db2.gz FVRVXHXNZQXWJL-LSDHHAIUSA-N 2 0 290.411 1.109 20 30 CDEDRP CCc1cccc(NC(=[NH2+])NCCC[N@H+](C)CCOC)c1 ZINC000264129163 362974164 /nfs/dbraw/zinc/97/41/64/362974164.db2.gz XILQIFNEFXEHSO-UHFFFAOYSA-N 2 0 292.427 1.944 20 30 CDEDRP CC(C)[NH+]1CCN(CCCN(C)C[C@@H](C)C#N)CC1 ZINC000337319781 360071956 /nfs/dbraw/zinc/07/19/56/360071956.db2.gz ALQNOQPBMJFTGF-HNNXBMFYSA-N 2 0 266.433 1.494 20 30 CDEDRP C#CC[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000122212451 360287831 /nfs/dbraw/zinc/28/78/31/360287831.db2.gz XXVZYQLPNFVKCN-UHFFFAOYSA-N 2 0 252.402 1.690 20 30 CDEDRP C[C@@H]1C[NH+]=C(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)N1 ZINC000262629343 360754752 /nfs/dbraw/zinc/75/47/52/360754752.db2.gz FIOYPSOUXVCUDN-HIFRSBDPSA-N 2 0 272.396 1.588 20 30 CDEDRP C[NH+](CC#CC[N@@H+](C)[C@H]1CCSC1)[C@H]1CCSC1 ZINC000351328880 361644221 /nfs/dbraw/zinc/64/42/21/361644221.db2.gz NQCWBDWHAZLAKN-KBPBESRZSA-N 2 0 284.494 1.864 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])NCc1ccccc1OC ZINC000170904966 365158470 /nfs/dbraw/zinc/15/84/70/365158470.db2.gz BQMWGASHUGCFJY-UHFFFAOYSA-N 2 0 278.400 1.441 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(C)cs1 ZINC000170909493 365161310 /nfs/dbraw/zinc/16/13/10/365161310.db2.gz HZLAMOXOSLWRBK-NSHDSACASA-N 2 0 281.429 1.340 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000565549986 370474716 /nfs/dbraw/zinc/47/47/16/370474716.db2.gz QJMVOJVRWAXMEE-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000248885343 374068345 /nfs/dbraw/zinc/06/83/45/374068345.db2.gz LZGYCOGNLDIDKQ-BRWVUGGUSA-N 2 0 292.471 1.932 20 30 CDEDRP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1=O ZINC000420331416 376328926 /nfs/dbraw/zinc/32/89/26/376328926.db2.gz QTMVSCWFVNXRSV-KFWWJZLASA-N 2 0 277.412 1.095 20 30 CDEDRP C#Cc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000290304030 378374755 /nfs/dbraw/zinc/37/47/55/378374755.db2.gz IDCUSNVSOIICRQ-GOSISDBHSA-N 2 0 286.419 1.994 20 30 CDEDRP C=C(C)CN(CC)C(=O)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152440179 390664528 /nfs/dbraw/zinc/66/45/28/390664528.db2.gz ZLJDFDZXTPQYEJ-OAHLLOKOSA-N 2 0 281.444 1.685 20 30 CDEDRP CCc1cnc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)s1 ZINC000267421348 391193845 /nfs/dbraw/zinc/19/38/45/391193845.db2.gz KSUBJQLCWHKLII-LLVKDONJSA-N 2 0 295.456 1.594 20 30 CDEDRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000269404712 132165534 /nfs/dbraw/zinc/16/55/34/132165534.db2.gz HIMCEGJTXBRMSJ-UHFFFAOYSA-N 2 0 277.343 1.244 20 30 CDEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCN1CC[NH2+]CC1)CC2 ZINC000423199792 397602488 /nfs/dbraw/zinc/60/24/88/397602488.db2.gz CSCCIOKCLLGWRC-INIZCTEOSA-N 2 0 270.380 1.040 20 30 CDEDRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(N)=[NH2+] ZINC000057887193 260226188 /nfs/dbraw/zinc/22/61/88/260226188.db2.gz POJWWYXQNGXHSM-LBPRGKRZSA-N 2 0 260.385 1.834 20 30 CDEDRP C[C@H]1C[NH+]=C(NCc2ccc(C[NH+]3CCCC3)cc2)N1 ZINC000262665709 262781823 /nfs/dbraw/zinc/78/18/23/262781823.db2.gz ONVGLEDQKWQRLW-ZDUSSCGKSA-N 2 0 272.396 1.720 20 30 CDEDRP C=C(C)CC[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000451995015 263021274 /nfs/dbraw/zinc/02/12/74/263021274.db2.gz WNSFWRUTPQHWRK-UHFFFAOYSA-N 2 0 253.434 1.958 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)C(C)C ZINC000165201266 264210391 /nfs/dbraw/zinc/21/03/91/264210391.db2.gz VXBONYRNEWTCNJ-HZPDHXFCSA-N 2 0 293.455 1.943 20 30 CDEDRP C=CCN1CC[C@H]([N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])C1=O ZINC000652356035 424302811 /nfs/dbraw/zinc/30/28/11/424302811.db2.gz QPSILHLKMOGELR-MJBXVCDLSA-N 2 0 265.401 1.223 20 30 CDEDRP Cc1oc(C#N)cc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000555851668 290241032 /nfs/dbraw/zinc/24/10/32/290241032.db2.gz FEKDETNZPFIMMZ-UHFFFAOYSA-N 2 0 292.383 1.025 20 30 CDEDRP COC[C@]1(C[NH2+]C2CCC(C)(C#N)CC2)CCC[NH2+]1 ZINC000423412425 330197448 /nfs/dbraw/zinc/19/74/48/330197448.db2.gz HQIQXBJTPXMFEC-YMAMQOFZSA-N 2 0 265.401 1.817 20 30 CDEDRP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424135423 330270421 /nfs/dbraw/zinc/27/04/21/330270421.db2.gz MGVAFUSDXIOCJU-GJZGRUSLSA-N 2 0 288.395 1.427 20 30 CDEDRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])CCCC#N)[C@H](C)C1 ZINC000424148398 330295115 /nfs/dbraw/zinc/29/51/15/330295115.db2.gz UIOMWHMAGOXNPJ-MCIONIFRSA-N 2 0 280.416 1.196 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000424187815 330321160 /nfs/dbraw/zinc/32/11/60/330321160.db2.gz BLISUIFFTMKNNM-CABCVRRESA-N 2 0 286.379 1.181 20 30 CDEDRP C=CCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C1CC1 ZINC000121014104 330394888 /nfs/dbraw/zinc/39/48/88/330394888.db2.gz CKOYQOTXTHFMOM-HOCLYGCPSA-N 2 0 265.445 1.957 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000490616090 332095894 /nfs/dbraw/zinc/09/58/94/332095894.db2.gz IFUVJDIRMDMNMA-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[N@H+]2CCCC2(C)C)CC1 ZINC000491298472 332184986 /nfs/dbraw/zinc/18/49/86/332184986.db2.gz VPSOJSMFBOQERB-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP COCC#CC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000678047482 482907938 /nfs/dbraw/zinc/90/79/38/482907938.db2.gz UOJJBTALWWVLDO-UHFFFAOYSA-N 2 0 252.402 1.690 20 30 CDEDRP COCC#CC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401370 483610816 /nfs/dbraw/zinc/61/08/16/483610816.db2.gz VZRFIFVVHAQPII-GJZGRUSLSA-N 2 0 264.413 1.879 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001113271191 1162142859 /nfs/dbraw/zinc/14/28/59/1162142859.db2.gz IJZSSFGHXWFMGH-UHFFFAOYSA-N 2 0 265.401 1.049 20 30 CDEDRP C=CCN1CCN(C(=O)CCCn2ccnc2C)CC1 ZINC001113430994 1162174106 /nfs/dbraw/zinc/17/41/06/1162174106.db2.gz FNMHTIIRLYGYRQ-UHFFFAOYSA-N 2 0 276.384 1.302 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)CC1 ZINC000334904878 526586921 /nfs/dbraw/zinc/58/69/21/526586921.db2.gz AKJSNGKMQAVZTN-UONOGXRCSA-N 2 0 294.443 1.419 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968192797 613013068 /nfs/dbraw/zinc/01/30/68/613013068.db2.gz SOKHUOPIQHIFDV-ZBFHGGJFSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948041070 613026387 /nfs/dbraw/zinc/02/63/87/613026387.db2.gz XVUOADSOCCWZQG-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000969411831 613249385 /nfs/dbraw/zinc/24/93/85/613249385.db2.gz QZKVRGDMJQHSCZ-ZFWWWQNUSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971544049 613284792 /nfs/dbraw/zinc/28/47/92/613284792.db2.gz WDMURQSUABKVAS-HZPDHXFCSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC000980273631 613289853 /nfs/dbraw/zinc/28/98/53/613289853.db2.gz DUDDISNNOAZUJU-RDJZCZTQSA-N 2 0 291.439 1.581 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000961455626 613344374 /nfs/dbraw/zinc/34/43/74/613344374.db2.gz FCBANIHXKMGDNK-FICVDOATSA-N 2 0 291.439 1.483 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981525832 613350828 /nfs/dbraw/zinc/35/08/28/613350828.db2.gz ZWWDYMFHNIYOML-GJZGRUSLSA-N 2 0 279.428 1.675 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000969960748 613384595 /nfs/dbraw/zinc/38/45/95/613384595.db2.gz VUHXJDVRPWWCQO-DGCLKSJQSA-N 2 0 285.819 1.271 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000981369137 613492282 /nfs/dbraw/zinc/49/22/82/613492282.db2.gz COYZUIISLKBYJT-INIZCTEOSA-N 2 0 293.455 1.971 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCCCCC[NH+]1CCCC1 ZINC000849033681 617743065 /nfs/dbraw/zinc/74/30/65/617743065.db2.gz VKTCFQKYJOSRDR-UHFFFAOYSA-N 2 0 252.406 1.943 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000911872566 629574861 /nfs/dbraw/zinc/57/48/61/629574861.db2.gz ZBAJBSZIJOJLIR-STQMWFEESA-N 2 0 255.406 1.502 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=NNC(N)=[NH2+])c1C ZINC000915049133 631635004 /nfs/dbraw/zinc/63/50/04/631635004.db2.gz OCOIQSBQIVOFGH-AWEZNQCLSA-N 2 0 290.415 1.406 20 30 CDEDRP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157702527 1162299519 /nfs/dbraw/zinc/29/95/19/1162299519.db2.gz WCOXEOVWYDOWGS-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130300363 1162597040 /nfs/dbraw/zinc/59/70/40/1162597040.db2.gz NEGVNYQCPDANGN-OAHLLOKOSA-N 2 0 281.444 1.923 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133090164 1163567212 /nfs/dbraw/zinc/56/72/12/1163567212.db2.gz CZGOSHYEGLEINB-KGLIPLIRSA-N 2 0 267.417 1.198 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001133245904 1163613249 /nfs/dbraw/zinc/61/32/49/1163613249.db2.gz MKYVJHOUQNTDAD-HUUCEWRRSA-N 2 0 291.439 1.342 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001135474643 1164143880 /nfs/dbraw/zinc/14/38/80/1164143880.db2.gz WMDFNHVICUKSPR-CQSZACIVSA-N 2 0 269.433 1.635 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001202539555 1165614640 /nfs/dbraw/zinc/61/46/40/1165614640.db2.gz NPESRNISSWQOCT-UHFFFAOYSA-N 2 0 293.455 1.568 20 30 CDEDRP CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC001578424779 1171906289 /nfs/dbraw/zinc/90/62/89/1171906289.db2.gz VJUGQIMKPHMUJY-OAHLLOKOSA-N 2 0 272.396 1.856 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001661342208 1172372126 /nfs/dbraw/zinc/37/21/26/1172372126.db2.gz DENOWGWPMWISKB-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001752940284 1184972513 /nfs/dbraw/zinc/97/25/13/1184972513.db2.gz JXDZKBPQRVQSAR-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[N@@H+](C)CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001753063818 1185032559 /nfs/dbraw/zinc/03/25/59/1185032559.db2.gz DNYRLBAPCFLUOZ-UHFFFAOYSA-N 2 0 289.423 1.638 20 30 CDEDRP C=C(C)CC[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001753162375 1185095081 /nfs/dbraw/zinc/09/50/81/1185095081.db2.gz HUGIUZZDAISKSD-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CCC ZINC001753426994 1185199278 /nfs/dbraw/zinc/19/92/78/1185199278.db2.gz YXQZZLJKGZBSDU-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001753664334 1185292633 /nfs/dbraw/zinc/29/26/33/1185292633.db2.gz SOBIIXMIIXVFNQ-HUUCEWRRSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001753794055 1185337642 /nfs/dbraw/zinc/33/76/42/1185337642.db2.gz JXIQMVHMJOJOOZ-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001754445389 1185620738 /nfs/dbraw/zinc/62/07/38/1185620738.db2.gz RBTNTPKUFJSNET-HZPDHXFCSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001754794833 1185734144 /nfs/dbraw/zinc/73/41/44/1185734144.db2.gz HXOOSFHCOVDXHC-ZIAGYGMSSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001755194391 1185847904 /nfs/dbraw/zinc/84/79/04/1185847904.db2.gz UGNRZEBOZLGXNU-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001755195186 1185848822 /nfs/dbraw/zinc/84/88/22/1185848822.db2.gz KUTHZEHQBAHCMJ-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001755315482 1185912801 /nfs/dbraw/zinc/91/28/01/1185912801.db2.gz RGDINLDXMRIZOQ-GJZGRUSLSA-N 2 0 281.444 1.567 20 30 CDEDRP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001755471196 1185960323 /nfs/dbraw/zinc/96/03/23/1185960323.db2.gz JZMJSATUNAGWPB-ZQDZILKHSA-N 2 0 279.428 1.387 20 30 CDEDRP C#CCC[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001755512642 1185976876 /nfs/dbraw/zinc/97/68/76/1185976876.db2.gz WFZIAAYZVXSCIU-OAHLLOKOSA-N 2 0 293.455 1.759 20 30 CDEDRP CC#CC[NH2+][C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001755551401 1185987896 /nfs/dbraw/zinc/98/78/96/1185987896.db2.gz VFPQGXDGIVSOCM-HZPDHXFCSA-N 2 0 293.455 1.472 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133846302 1163930707 /nfs/dbraw/zinc/93/07/07/1163930707.db2.gz YFZCNPPPCSUDCY-HNNXBMFYSA-N 2 0 281.444 1.780 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133863891 1163938867 /nfs/dbraw/zinc/93/88/67/1163938867.db2.gz QWDFKQSRDLEOCL-HUUCEWRRSA-N 2 0 281.444 1.636 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075620112 711847194 /nfs/dbraw/zinc/84/71/94/711847194.db2.gz ZSAZDLMIQABMCE-HRCADAONSA-N 2 0 291.439 1.580 20 30 CDEDRP CCCCNC(=[NH2+])NC[C@H](CC[NH+](C)C)OCC ZINC000304823785 711868970 /nfs/dbraw/zinc/86/89/70/711868970.db2.gz FDCZKMBPDAUWRI-LBPRGKRZSA-N 2 0 258.410 1.048 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001020149904 711878526 /nfs/dbraw/zinc/87/85/26/711878526.db2.gz GXVBTUXBBMBJNX-KBUPBQIOSA-N 2 0 277.412 1.284 20 30 CDEDRP C#C[C@@H](CC)NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000854069321 711910154 /nfs/dbraw/zinc/91/01/54/711910154.db2.gz RQLDZKUOJJQKER-HNNXBMFYSA-N 2 0 296.459 1.313 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001052254732 712018694 /nfs/dbraw/zinc/01/86/94/712018694.db2.gz OSEWJROJOWEDGE-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCN1CCC[C@H](NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000923557361 712051041 /nfs/dbraw/zinc/05/10/41/712051041.db2.gz MBFYEEJLTHUFBP-KBPBESRZSA-N 2 0 277.412 1.073 20 30 CDEDRP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072743624 712089675 /nfs/dbraw/zinc/08/96/75/712089675.db2.gz WGCKIMMZAJBUGI-OAHLLOKOSA-N 2 0 289.423 1.049 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000999431170 712090662 /nfs/dbraw/zinc/09/06/62/712090662.db2.gz BGAMOGQTIPMQLU-KGLIPLIRSA-N 2 0 267.417 1.339 20 30 CDEDRP CNC(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)=[NH+]C ZINC000303260928 712133079 /nfs/dbraw/zinc/13/30/79/712133079.db2.gz NXOGVRWZHLSBEL-GFCCVEGCSA-N 2 0 280.441 1.755 20 30 CDEDRP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034523673 712145716 /nfs/dbraw/zinc/14/57/16/712145716.db2.gz AGGDVLXRGSLGNN-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001001636923 712151667 /nfs/dbraw/zinc/15/16/67/712151667.db2.gz XQGVKADQINRCOD-UHFFFAOYSA-N 2 0 296.374 1.409 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052870186 712176576 /nfs/dbraw/zinc/17/65/76/712176576.db2.gz QSRTYZJNDCSYRX-OAHLLOKOSA-N 2 0 289.423 1.076 20 30 CDEDRP C[C@@H]1CCC[N@H+](CCCCNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000249882139 712230717 /nfs/dbraw/zinc/23/07/17/712230717.db2.gz NVDKIEFMMKQURZ-HUUCEWRRSA-N 2 0 296.459 1.582 20 30 CDEDRP C[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)[N@@H+]1CCCC[C@H]1C ZINC000261719874 712245431 /nfs/dbraw/zinc/24/54/31/712245431.db2.gz FQRLOVNUCNHXGT-HZSPNIEDSA-N 2 0 282.432 1.333 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001008538222 712252307 /nfs/dbraw/zinc/25/23/07/712252307.db2.gz GOCJZMNRCLFOLD-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999573472 712304944 /nfs/dbraw/zinc/30/49/44/712304944.db2.gz IYCYEMFHOBPKEP-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001000191455 712340804 /nfs/dbraw/zinc/34/08/04/712340804.db2.gz JAOADNPYHYHQJA-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015059224 712343869 /nfs/dbraw/zinc/34/38/69/712343869.db2.gz PGUUTPHNWRWVJQ-LSDHHAIUSA-N 2 0 279.428 1.483 20 30 CDEDRP CCN1CC[NH+](CCCCNC(=[NH2+])NC(C)(C)C)CC1 ZINC000303898036 712358512 /nfs/dbraw/zinc/35/85/12/712358512.db2.gz QZDWFIKHXIWTHK-UHFFFAOYSA-N 2 0 283.464 1.107 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076567580 712363439 /nfs/dbraw/zinc/36/34/39/712363439.db2.gz ARHLUSGZYMZGSN-HRCADAONSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033831831 712367466 /nfs/dbraw/zinc/36/74/66/712367466.db2.gz ZDNLVPFMVWEMHC-JKSUJKDBSA-N 2 0 291.439 1.437 20 30 CDEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000303990150 712400186 /nfs/dbraw/zinc/40/01/86/712400186.db2.gz YJOXHJSTDHMZKQ-STQMWFEESA-N 2 0 254.422 1.763 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015051733 712410132 /nfs/dbraw/zinc/41/01/32/712410132.db2.gz DVKZOBDHPGIROU-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001018267229 712411441 /nfs/dbraw/zinc/41/14/41/712411441.db2.gz ZWQAFHTZTRIAQK-SOUVJXGZSA-N 2 0 277.412 1.189 20 30 CDEDRP C=C(C)CN1CC(N(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001044329532 712435827 /nfs/dbraw/zinc/43/58/27/712435827.db2.gz GUINSRBZENVYIR-ZIAGYGMSSA-N 2 0 279.428 1.578 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028538698 712458936 /nfs/dbraw/zinc/45/89/36/712458936.db2.gz IWTBAFWJEBVNCY-GOEBONIOSA-N 2 0 291.439 1.342 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001018835281 712472822 /nfs/dbraw/zinc/47/28/22/712472822.db2.gz CFAAQJZEJYJYHW-UONOGXRCSA-N 2 0 265.401 1.236 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001020723339 712477421 /nfs/dbraw/zinc/47/74/21/712477421.db2.gz WHHXOBYPTLMBAT-ZQDZILKHSA-N 2 0 277.412 1.426 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001022311487 712489860 /nfs/dbraw/zinc/48/98/60/712489860.db2.gz RMGDBWFYRJTLNQ-MELADBBJSA-N 2 0 288.395 1.258 20 30 CDEDRP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001033126342 712500037 /nfs/dbraw/zinc/50/00/37/712500037.db2.gz LKZJGVIWLWLIJZ-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001020865256 712501018 /nfs/dbraw/zinc/50/10/18/712501018.db2.gz DTZACSSHCBWIDW-SHTZXODSSA-N 2 0 279.428 1.530 20 30 CDEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001005478105 712509697 /nfs/dbraw/zinc/50/96/97/712509697.db2.gz WIYOBBJYPPBMCF-INIZCTEOSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001040936902 712517489 /nfs/dbraw/zinc/51/74/89/712517489.db2.gz PIKMGGGTIBXQAD-HNNXBMFYSA-N 2 0 291.439 1.439 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001026044133 712683797 /nfs/dbraw/zinc/68/37/97/712683797.db2.gz KOHBRFUSEJIDIF-SUJAAXHWSA-N 2 0 291.439 1.197 20 30 CDEDRP CC(C)CNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000262011265 712712623 /nfs/dbraw/zinc/71/26/23/712712623.db2.gz UIDHZJQYSSXBMM-QWHCGFSZSA-N 2 0 254.422 1.810 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000989636399 712719806 /nfs/dbraw/zinc/71/98/06/712719806.db2.gz WRFLNVQJWSONDD-GDBMZVCRSA-N 2 0 293.455 1.872 20 30 CDEDRP C[C@H]1CCC[N@H+](CCCCNC(=[NH2+])N2CCOCC2)C1 ZINC000303876306 712720607 /nfs/dbraw/zinc/72/06/07/712720607.db2.gz DVWWJNMTWVLFRS-AWEZNQCLSA-N 2 0 282.432 1.145 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001019076173 712745166 /nfs/dbraw/zinc/74/51/66/712745166.db2.gz PAQMSMRFQVFHBX-HOTGVXAUSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCN1CC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038545294 712756302 /nfs/dbraw/zinc/75/63/02/712756302.db2.gz COECJPOQYZEDLM-MRXNPFEDSA-N 2 0 299.418 1.228 20 30 CDEDRP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001049526156 712780660 /nfs/dbraw/zinc/78/06/60/712780660.db2.gz TXQDCXCHTWZLAF-BZUAXINKSA-N 2 0 289.423 1.025 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001184574912 1164359654 /nfs/dbraw/zinc/35/96/54/1164359654.db2.gz AGYKWCGJMOVUQA-GJZGRUSLSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001566677595 1168384291 /nfs/dbraw/zinc/38/42/91/1168384291.db2.gz RRVRDNXLFSUJCY-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C[NH+]1CCN(CC[NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173324296 912424182 /nfs/dbraw/zinc/42/41/82/912424182.db2.gz LRPPCUNSQJJKTF-UHFFFAOYSA-N 2 0 264.417 1.296 20 30 CDEDRP CC[N@@H+]1CC[C@@H]([NH+]=C(C)NCc2cccc(C[NH3+])c2)C1 ZINC001173357767 912476174 /nfs/dbraw/zinc/47/61/74/912476174.db2.gz RRVDIZPHVIONKQ-MRXNPFEDSA-N 3 0 274.412 1.748 20 30 CDEDRP C=CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC[C@@H]3C)CCC[C@H]12 ZINC000992187770 912802596 /nfs/dbraw/zinc/80/25/96/912802596.db2.gz JWOZUWGAKPDJSI-YQQAZPJKSA-N 2 0 291.439 1.770 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127253983 913147707 /nfs/dbraw/zinc/14/77/07/913147707.db2.gz BSGGBAICBRHFTJ-UONOGXRCSA-N 2 0 265.401 1.143 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001106255750 913732943 /nfs/dbraw/zinc/73/29/43/913732943.db2.gz GIIWHKLKRZCNIS-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176023792 913904440 /nfs/dbraw/zinc/90/44/40/913904440.db2.gz INOZDYSFJGADFZ-HNNXBMFYSA-N 2 0 281.444 1.616 20 30 CDEDRP C[NH+](C)CC1CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC000721560357 897490249 /nfs/dbraw/zinc/49/02/49/897490249.db2.gz SODNZBRQKVMVQY-UHFFFAOYSA-N 2 0 258.369 1.727 20 30 CDEDRP C=CC[NH2+]CCN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235422319 914215455 /nfs/dbraw/zinc/21/54/55/914215455.db2.gz BFABJNXJKWCZEM-HUUCEWRRSA-N 2 0 251.418 1.474 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001106729691 914215725 /nfs/dbraw/zinc/21/57/25/914215725.db2.gz WTWWPYWSAJTORC-GDBMZVCRSA-N 2 0 291.439 1.036 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)c1ccccc1C[NH+](C)C ZINC001176953922 914393300 /nfs/dbraw/zinc/39/33/00/914393300.db2.gz UDQQUJPWZSAAPE-UHFFFAOYSA-N 2 0 287.407 1.481 20 30 CDEDRP C#CC[NH2+]C1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001026571897 899990475 /nfs/dbraw/zinc/99/04/75/899990475.db2.gz RURQFXMADVYQNW-UHFFFAOYSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001028648851 903216272 /nfs/dbraw/zinc/21/62/72/903216272.db2.gz NXAXLFHNNUBOLL-AWEZNQCLSA-N 2 0 296.374 1.328 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001087573785 905700098 /nfs/dbraw/zinc/70/00/98/905700098.db2.gz DTVKOGQMUIFMLD-OWCLPIDISA-N 2 0 291.439 1.483 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000985327598 906433333 /nfs/dbraw/zinc/43/33/33/906433333.db2.gz JLCZWXHKTNAQJO-CQSZACIVSA-N 2 0 265.401 1.189 20 30 CDEDRP C#CC[NH+](C)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000985468579 906685002 /nfs/dbraw/zinc/68/50/02/906685002.db2.gz XDWIJTQLWWLYNP-UHFFFAOYSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000989190683 908710868 /nfs/dbraw/zinc/71/08/68/908710868.db2.gz XBNLWUXPFDTSPP-OCCSQVGLSA-N 2 0 282.347 1.160 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000989189806 908711090 /nfs/dbraw/zinc/71/10/90/908711090.db2.gz UKBSJJZTCVTARP-TZMCWYRMSA-N 2 0 284.363 1.713 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H]1C ZINC001088692869 908969810 /nfs/dbraw/zinc/96/98/10/908969810.db2.gz BBFCKMXQOVUQCX-PMPSAXMXSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2cncn2C)C1 ZINC000989735499 908992790 /nfs/dbraw/zinc/99/27/90/908992790.db2.gz BFURRJAVCIMXQS-STQMWFEESA-N 2 0 276.384 1.118 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC001088748432 909268083 /nfs/dbraw/zinc/26/80/83/909268083.db2.gz FIQAYTCFCLFSQB-DOMZBBRYSA-N 2 0 284.363 1.713 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001088836209 910034450 /nfs/dbraw/zinc/03/44/50/910034450.db2.gz KKDHTEUUGICUFP-HIFRSBDPSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001003983910 921549266 /nfs/dbraw/zinc/54/92/66/921549266.db2.gz UMLALECRGNMNQH-UHFFFAOYSA-N 2 0 277.412 1.239 20 30 CDEDRP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001094380089 910587566 /nfs/dbraw/zinc/58/75/66/910587566.db2.gz MAPFFBJUZLHQMJ-ZMSDIMECSA-N 2 0 289.423 1.075 20 30 CDEDRP COCCC[NH+]1CCC(NC2(C#N)CC[NH+](C)CC2)CC1 ZINC001172249136 911519031 /nfs/dbraw/zinc/51/90/31/911519031.db2.gz IBIPVGZYSAHYGT-UHFFFAOYSA-N 2 0 294.443 1.065 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001178522552 915479381 /nfs/dbraw/zinc/47/93/81/915479381.db2.gz MBBMOUGZSRUNST-JKSUJKDBSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203359077 915808942 /nfs/dbraw/zinc/80/89/42/915808942.db2.gz NRZIIEYHICYHIT-UONOGXRCSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)CC[NH+](C)C ZINC001179464100 915846261 /nfs/dbraw/zinc/84/62/61/915846261.db2.gz MOSWRICXCBPIIE-UHFFFAOYSA-N 2 0 267.417 1.228 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)C[N@@H+](C)CCC ZINC001180124336 916166615 /nfs/dbraw/zinc/16/66/15/916166615.db2.gz VETIDASLWAEPSI-UHFFFAOYSA-N 2 0 281.444 1.618 20 30 CDEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001180226807 916202959 /nfs/dbraw/zinc/20/29/59/916202959.db2.gz NSIDSMSLUZXUMM-GJZGRUSLSA-N 2 0 297.443 1.108 20 30 CDEDRP CCOCCCNC(=[NH2+])NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000303894115 935046519 /nfs/dbraw/zinc/04/65/19/935046519.db2.gz OPYXYZBANUCSMZ-OAHLLOKOSA-N 2 0 298.475 1.829 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127701721 917357762 /nfs/dbraw/zinc/35/77/62/917357762.db2.gz XDDHFRSWQBJKHF-QLFBSQMISA-N 2 0 281.444 1.777 20 30 CDEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001181885459 917445824 /nfs/dbraw/zinc/44/58/24/917445824.db2.gz UYPDFZUHSICZBE-BFYDXBDKSA-N 2 0 293.455 1.424 20 30 CDEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001182411256 917844282 /nfs/dbraw/zinc/84/42/82/917844282.db2.gz YTBDBEDPSGTAOY-NVXWUHKLSA-N 2 0 295.471 1.979 20 30 CDEDRP C[NH+]1CCN(c2ccc(C[NH+]3CC(CC#N)C3)cc2)CC1 ZINC000826990854 936464083 /nfs/dbraw/zinc/46/40/83/936464083.db2.gz OTDIUKZHTUHNBK-UHFFFAOYSA-N 2 0 284.407 1.784 20 30 CDEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001182486910 917936877 /nfs/dbraw/zinc/93/68/77/917936877.db2.gz XOXARIOGRMTCOY-NVXWUHKLSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995552752 917966448 /nfs/dbraw/zinc/96/64/48/917966448.db2.gz RQGJDLLHNNRZKA-QWHCGFSZSA-N 2 0 299.846 1.660 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001054734812 936469920 /nfs/dbraw/zinc/46/99/20/936469920.db2.gz DDBYBPGGMNLZSE-ZFWWWQNUSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC000996378485 918253395 /nfs/dbraw/zinc/25/33/95/918253395.db2.gz HTHBLRPFUNQDJV-OAHLLOKOSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000996476863 918269057 /nfs/dbraw/zinc/26/90/57/918269057.db2.gz IDOQVNXSXUPBGE-ZBFHGGJFSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001000222167 936526395 /nfs/dbraw/zinc/52/63/95/936526395.db2.gz CCNSUJOPLNECTN-STQMWFEESA-N 2 0 253.390 1.093 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001000690580 936537820 /nfs/dbraw/zinc/53/78/20/936537820.db2.gz WJKKRLYNLUVNDQ-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001001084912 936546857 /nfs/dbraw/zinc/54/68/57/936546857.db2.gz DIGGMCFHDHIPNI-HOCLYGCPSA-N 2 0 291.439 1.651 20 30 CDEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997421073 919160284 /nfs/dbraw/zinc/16/02/84/919160284.db2.gz NQIZJKRAVIDOAR-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001050460342 936559919 /nfs/dbraw/zinc/55/99/19/936559919.db2.gz VKEQMSZMUHVCNM-AWEZNQCLSA-N 2 0 277.412 1.191 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001185347705 919538090 /nfs/dbraw/zinc/53/80/90/919538090.db2.gz KNBXHTFGVXAEQW-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001185448165 919631509 /nfs/dbraw/zinc/63/15/09/919631509.db2.gz WIDMUPOSEXMOMZ-HOTGVXAUSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001185548283 919648971 /nfs/dbraw/zinc/64/89/71/919648971.db2.gz LHLIQWBXXMSKBX-JKSUJKDBSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC000999833665 919795643 /nfs/dbraw/zinc/79/56/43/919795643.db2.gz OUWPUKSPDBKNOX-UHFFFAOYSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187090510 920361572 /nfs/dbraw/zinc/36/15/72/920361572.db2.gz AHIWIXBUVVHIQH-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001078812473 920473521 /nfs/dbraw/zinc/47/35/21/920473521.db2.gz LACXQNUDEDWFFV-KBPBESRZSA-N 2 0 277.412 1.285 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001128534127 921985872 /nfs/dbraw/zinc/98/58/72/921985872.db2.gz WFDYMFFRPDNASL-LLVKDONJSA-N 2 0 279.787 1.125 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190654649 922125076 /nfs/dbraw/zinc/12/50/76/922125076.db2.gz KRXKPIQSNMZZEP-JKSUJKDBSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034526603 922657552 /nfs/dbraw/zinc/65/75/52/922657552.db2.gz ZOZSZTXLJVEAHE-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197885957 925257333 /nfs/dbraw/zinc/25/73/33/925257333.db2.gz LUENGKQKHCQBQG-UHFFFAOYSA-N 2 0 279.428 1.276 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085093130 925647977 /nfs/dbraw/zinc/64/79/77/925647977.db2.gz HXIAPEIYUDBOJU-PMPSAXMXSA-N 2 0 291.439 1.437 20 30 CDEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102371707 937054921 /nfs/dbraw/zinc/05/49/21/937054921.db2.gz PRBKNEKFDANGRD-ARFHVFGLSA-N 2 0 291.439 1.036 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001201117577 926199537 /nfs/dbraw/zinc/19/95/37/926199537.db2.gz AFIBVNLSCDHLKZ-MRXNPFEDSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579933 937066072 /nfs/dbraw/zinc/06/60/72/937066072.db2.gz XRCCIKGHXVDMPV-HZPDHXFCSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CCC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CCC)[C@H](C)C1 ZINC001102524518 937063147 /nfs/dbraw/zinc/06/31/47/937063147.db2.gz JXSADORZDDEMMV-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201259540 926245993 /nfs/dbraw/zinc/24/59/93/926245993.db2.gz BCTGIUHGJHZDRJ-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CC(C)C)CC1 ZINC001201483153 926320871 /nfs/dbraw/zinc/32/08/71/926320871.db2.gz XGPHKRGRQHIZOU-UHFFFAOYSA-N 2 0 265.445 1.934 20 30 CDEDRP C#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001085986869 926568798 /nfs/dbraw/zinc/56/87/98/926568798.db2.gz OOYIRDLVTRQWCG-HUUCEWRRSA-N 2 0 277.412 1.027 20 30 CDEDRP C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001085987536 926569961 /nfs/dbraw/zinc/56/99/61/926569961.db2.gz FUSRVIAALFBMAE-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001086197739 926812650 /nfs/dbraw/zinc/81/26/50/926812650.db2.gz YPWWUTNRFFEKMT-DEQVHRJGSA-N 2 0 299.846 1.421 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001086499956 927216559 /nfs/dbraw/zinc/21/65/59/927216559.db2.gz GFTFVNHNQLNFOL-KLHDSHLOSA-N 2 0 289.423 1.121 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550530 937145969 /nfs/dbraw/zinc/14/59/69/937145969.db2.gz VBWRLYVFQMRVOW-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP CC(=O)N1CC[C@H]([NH+]=C(C)NCc2cccc(C[NH3+])c2)C1 ZINC001169531591 928153577 /nfs/dbraw/zinc/15/35/77/928153577.db2.gz HUOBAKRYGUWORB-INIZCTEOSA-N 2 0 288.395 1.274 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CCC)C1 ZINC001111951215 937258570 /nfs/dbraw/zinc/25/85/70/937258570.db2.gz YDHVJAVHJHCTBN-HOCLYGCPSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241690 937338756 /nfs/dbraw/zinc/33/87/56/937338756.db2.gz MTFIWOGDVVMCOZ-AIANPOQGSA-N 2 0 291.439 1.483 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152347382 937354814 /nfs/dbraw/zinc/35/48/14/937354814.db2.gz DXBZZDVUYZUZRW-UHFFFAOYSA-N 2 0 253.390 1.144 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152480337 937365531 /nfs/dbraw/zinc/36/55/31/937365531.db2.gz QMAPCRDDVVADKJ-OAHLLOKOSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134729954 929866409 /nfs/dbraw/zinc/86/64/09/929866409.db2.gz QOXSMQKAFIUBLT-LSDHHAIUSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134892919 929947499 /nfs/dbraw/zinc/94/74/99/929947499.db2.gz QUQACKBYIOFXTA-ZIAGYGMSSA-N 2 0 298.390 1.844 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001170785202 930009612 /nfs/dbraw/zinc/00/96/12/930009612.db2.gz QAKODKHJRUOVGY-OAHLLOKOSA-N 2 0 279.428 1.370 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135308080 930140150 /nfs/dbraw/zinc/14/01/50/930140150.db2.gz NURVFMXTILYWKH-OLZOCXBDSA-N 2 0 255.406 1.387 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135467295 930216221 /nfs/dbraw/zinc/21/62/21/930216221.db2.gz FMHGSZJGVJUSAC-KGLIPLIRSA-N 2 0 279.428 1.224 20 30 CDEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170819306 930244313 /nfs/dbraw/zinc/24/43/13/930244313.db2.gz SSYABANMVJBJLT-HOCLYGCPSA-N 2 0 293.455 1.779 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170820803 930248225 /nfs/dbraw/zinc/24/82/25/930248225.db2.gz XSHFJHXMKXYWHB-GOEBONIOSA-N 2 0 291.439 1.226 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860657 930480007 /nfs/dbraw/zinc/48/00/07/930480007.db2.gz FXMTZRLPXOZSSD-ZIAGYGMSSA-N 2 0 269.433 1.777 20 30 CDEDRP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135955669 930564886 /nfs/dbraw/zinc/56/48/86/930564886.db2.gz LOZPVYUIOQALRP-GJZGRUSLSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135955095 930564892 /nfs/dbraw/zinc/56/48/92/930564892.db2.gz GTJJIVLRGKAJBG-ZIAGYGMSSA-N 2 0 279.428 1.531 20 30 CDEDRP CC1CC[NH+](CCCNC(=[NH2+])N2CCSCC2)CC1 ZINC000104157371 931321422 /nfs/dbraw/zinc/32/14/22/931321422.db2.gz ATCSHMUYSKHKMD-UHFFFAOYSA-N 2 0 284.473 1.472 20 30 CDEDRP C=CC[C@H](C)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001144016718 931627172 /nfs/dbraw/zinc/62/71/72/931627172.db2.gz BODSHUBCHCCFMB-HNNXBMFYSA-N 2 0 283.460 1.931 20 30 CDEDRP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](C)C[C@H]3CC2)cc1C#N ZINC001275044406 931641310 /nfs/dbraw/zinc/64/13/10/931641310.db2.gz AJLHFTAHXRRYED-GASCZTMLSA-N 2 0 272.396 1.670 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146610373 932271418 /nfs/dbraw/zinc/27/14/18/932271418.db2.gz ISXZNVHLMLMCSB-LSDHHAIUSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CCCCCC[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171294664 932415729 /nfs/dbraw/zinc/41/57/29/932415729.db2.gz VKZGVUDPKIRQRB-UHFFFAOYSA-N 2 0 293.455 1.925 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)CCC[NH+](CCC)CCC ZINC001147449369 932517225 /nfs/dbraw/zinc/51/72/25/932517225.db2.gz PZMIGDZBCUYTHW-UHFFFAOYSA-N 2 0 281.444 1.618 20 30 CDEDRP N#Cc1c(NC[C@@H]2C[C@H](F)C[NH2+]2)ncc2c1CCC[NH2+]C2 ZINC001155031180 937623710 /nfs/dbraw/zinc/62/37/10/937623710.db2.gz SSPFANKPOLBVEM-RYUDHWBXSA-N 2 0 289.358 1.101 20 30 CDEDRP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001092021635 932911072 /nfs/dbraw/zinc/91/10/72/932911072.db2.gz FGUYUZSORLXJOQ-VYDXJSESSA-N 2 0 291.439 1.130 20 30 CDEDRP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120423924 937798756 /nfs/dbraw/zinc/79/87/56/937798756.db2.gz XVVLHHLFTFBWJD-HOTGVXAUSA-N 2 0 291.439 1.274 20 30 CDEDRP CCNC(NC[C@H](C)[N@@H+]1CCCC[C@H]1C)=[NH+]CC ZINC000303384114 935029796 /nfs/dbraw/zinc/02/97/96/935029796.db2.gz UJKJPHITIXXTKP-OLZOCXBDSA-N 2 0 254.422 1.824 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC ZINC001037847583 935302132 /nfs/dbraw/zinc/30/21/32/935302132.db2.gz AMBZNZKABLQYJB-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014475661 935539164 /nfs/dbraw/zinc/53/91/64/935539164.db2.gz MIIRGOCRAAQKIS-HZSPNIEDSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015051883 935556951 /nfs/dbraw/zinc/55/69/51/935556951.db2.gz FKRHZEVAPSIXEB-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015794471 935587025 /nfs/dbraw/zinc/58/70/25/935587025.db2.gz HHBRMAVEUMBZQC-GJZGRUSLSA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038660383 935753017 /nfs/dbraw/zinc/75/30/17/935753017.db2.gz BUXJNZMMINNRND-CQSZACIVSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001039393463 935774108 /nfs/dbraw/zinc/77/41/08/935774108.db2.gz GWARUHNFIAKPRI-QLFBSQMISA-N 2 0 279.428 1.578 20 30 CDEDRP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001046839715 935977434 /nfs/dbraw/zinc/97/74/34/935977434.db2.gz SHTLGRZHXNEWNS-UKRRQHHQSA-N 2 0 265.401 1.095 20 30 CDEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCO[C@H](C)C#N)C1 ZINC000801925183 936016541 /nfs/dbraw/zinc/01/65/41/936016541.db2.gz ZVGUGTMVTCODGE-HUUCEWRRSA-N 2 0 283.416 1.348 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001096345356 936046998 /nfs/dbraw/zinc/04/69/98/936046998.db2.gz WOPVSYIKZZBEFC-KBXIAJHMSA-N 2 0 277.412 1.236 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C[C@H]2C1 ZINC001049231802 936126815 /nfs/dbraw/zinc/12/68/15/936126815.db2.gz LVCRWVHTZPRCAZ-FPCVCCKLSA-N 2 0 291.439 1.435 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001121696127 937880138 /nfs/dbraw/zinc/88/01/38/937880138.db2.gz GYJHDBXWTICUSN-UHFFFAOYSA-N 2 0 299.846 1.708 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC001122127251 937907137 /nfs/dbraw/zinc/90/71/37/937907137.db2.gz PSVHCAFOCVOQNP-CYBMUJFWSA-N 2 0 253.390 1.176 20 30 CDEDRP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156194597 938332971 /nfs/dbraw/zinc/33/29/71/938332971.db2.gz VABNJPGJFLONDI-OAHLLOKOSA-N 2 0 299.459 1.357 20 30 CDEDRP N#CCc1cnc(NC(=[NH2+])NCCCC[NH3+])c(Cl)c1 ZINC001157101751 938454280 /nfs/dbraw/zinc/45/42/80/938454280.db2.gz LXAMAVUTVLLVOK-UHFFFAOYSA-N 2 0 280.763 1.476 20 30 CDEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157959991 938568759 /nfs/dbraw/zinc/56/87/59/938568759.db2.gz GLWHHLIUYUIHGB-IJEWVQPXSA-N 2 0 271.364 1.063 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001158329265 938609931 /nfs/dbraw/zinc/60/99/31/938609931.db2.gz LNMGYLMWVMCRJZ-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP N#Cc1cc(NC2=C[NH2+]CCC2)ccc1N1CC[NH2+]CC1 ZINC001159749198 938750249 /nfs/dbraw/zinc/75/02/49/938750249.db2.gz YYDAHRSASLKZOC-UHFFFAOYSA-N 2 0 283.379 1.605 20 30 CDEDRP C=CC[N@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160360723 938782150 /nfs/dbraw/zinc/78/21/50/938782150.db2.gz VVXFIFSJLJKJQG-UHFFFAOYSA-N 2 0 291.439 1.795 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161032615 938859865 /nfs/dbraw/zinc/85/98/65/938859865.db2.gz IJSQGXSLGZPRRS-GFCCVEGCSA-N 2 0 273.808 1.319 20 30 CDEDRP C=CC[N@H+]1CC=C(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001161504107 938907280 /nfs/dbraw/zinc/90/72/80/938907280.db2.gz BQIBXNJMUKUASO-UHFFFAOYSA-N 2 0 279.428 1.653 20 30 CDEDRP N#Cc1c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)ncc2c1CCC[NH2+]C2 ZINC001162791105 939140427 /nfs/dbraw/zinc/14/04/27/939140427.db2.gz ZOZLAFKAJGMEKW-XFBWCDHKSA-N 2 0 295.390 1.175 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163224734 939228959 /nfs/dbraw/zinc/22/89/59/939228959.db2.gz XXNSQFQPPLYKBL-AWEZNQCLSA-N 2 0 265.401 1.143 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164491905 939479033 /nfs/dbraw/zinc/47/90/33/939479033.db2.gz PPLGFQJEDZGVOF-INIZCTEOSA-N 2 0 291.439 1.513 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165360077 939548009 /nfs/dbraw/zinc/54/80/09/939548009.db2.gz MPMUQHVZOLVOAS-AWEZNQCLSA-N 2 0 269.433 1.779 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001165485367 939567440 /nfs/dbraw/zinc/56/74/40/939567440.db2.gz TWRITBCTJNHVMA-HNNXBMFYSA-N 2 0 291.439 1.226 20 30 CDEDRP N#Cc1cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)ccc1F ZINC001205208210 939835424 /nfs/dbraw/zinc/83/54/24/939835424.db2.gz BYVZLEVQAFIQBT-OAHLLOKOSA-N 2 0 277.343 1.373 20 30 CDEDRP C[C@H]1C[N@H+](Cc2ccc(C#N)cn2)CCC[C@H]1C[NH3+] ZINC001206011194 939967484 /nfs/dbraw/zinc/96/74/84/939967484.db2.gz ANBSDKWVEASOOP-JSGCOSHPSA-N 2 0 258.369 1.760 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001206288741 940012116 /nfs/dbraw/zinc/01/21/16/940012116.db2.gz YOFFEAZQISWZEG-UHFFFAOYSA-N 2 0 293.455 1.733 20 30 CDEDRP N#Cc1ccc2c(c1)C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC001207435900 940195753 /nfs/dbraw/zinc/19/57/53/940195753.db2.gz NKHZUDFOVQXVTF-UHFFFAOYSA-N 2 0 255.365 1.916 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208445006 940331174 /nfs/dbraw/zinc/33/11/74/940331174.db2.gz NTNIVSDTHWRHSW-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685445 940706980 /nfs/dbraw/zinc/70/69/80/940706980.db2.gz WBJZRROKPLWRFO-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214757834 940839303 /nfs/dbraw/zinc/83/93/03/940839303.db2.gz YDVPICKMGJKAEN-MGPQQGTHSA-N 2 0 285.407 1.289 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001215571709 940894999 /nfs/dbraw/zinc/89/49/99/940894999.db2.gz UZBVWSJYKJKXNG-MCIONIFRSA-N 2 0 267.417 1.339 20 30 CDEDRP N#Cc1cc(F)c(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c(Cl)c1 ZINC001218995889 941299727 /nfs/dbraw/zinc/29/97/27/941299727.db2.gz TVDHHVKXLBQWNY-NSHDSACASA-N 2 0 298.749 1.746 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222041873 941559013 /nfs/dbraw/zinc/55/90/13/941559013.db2.gz JFHQMBTVNKGICR-HZPDHXFCSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001226823786 942077422 /nfs/dbraw/zinc/07/74/22/942077422.db2.gz DTQVUZSWCMPHLQ-HUUCEWRRSA-N 2 0 279.428 1.674 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317160857 942400249 /nfs/dbraw/zinc/40/02/49/942400249.db2.gz CDXITKRFCFFAOV-GJZGRUSLSA-N 2 0 279.428 1.178 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001230138215 942585480 /nfs/dbraw/zinc/58/54/80/942585480.db2.gz KMLAZOCJMJTSEK-BZUAXINKSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC001263149306 943764562 /nfs/dbraw/zinc/76/45/62/943764562.db2.gz APVGITATJLRIPK-IHRRRGAJSA-N 2 0 267.417 1.646 20 30 CDEDRP CN(C)C(=O)C[NH2+][C@@]12CC[C@@]([NH2+]CCCC#N)(C1)CCC2 ZINC001277942982 944146853 /nfs/dbraw/zinc/14/68/53/944146853.db2.gz IKUPXRTYKYXWGE-CVEARBPZSA-N 2 0 292.427 1.403 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH3+])[C@@H]1CC[C@@H](C#N)C1 ZINC001254644790 947569174 /nfs/dbraw/zinc/56/91/74/947569174.db2.gz XPIKUYODGNETFD-ZIAGYGMSSA-N 2 0 252.406 1.281 20 30 CDEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+]C1CCC([NH2+]C)CC1 ZINC001246309149 948097343 /nfs/dbraw/zinc/09/73/43/948097343.db2.gz UMTNUZASLARGPD-NRXISQOPSA-N 2 0 297.443 1.333 20 30 CDEDRP N#CC1(N[C@@H]2CCC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC001246316446 948102702 /nfs/dbraw/zinc/10/27/02/948102702.db2.gz RKYKICCFLANNPN-QGZVFWFLSA-N 2 0 298.434 1.886 20 30 CDEDRP C=CC[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246486607 948202637 /nfs/dbraw/zinc/20/26/37/948202637.db2.gz DHDCXFZPDOJQNF-HZPDHXFCSA-N 2 0 271.408 1.987 20 30 CDEDRP C=C(C)C(=O)NCCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001256562047 948344030 /nfs/dbraw/zinc/34/40/30/948344030.db2.gz VAYQQUBEVRPOEN-UHFFFAOYSA-N 2 0 281.444 1.921 20 30 CDEDRP C[C@H]1C[C@H]([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC[NH2+]1 ZINC001246836765 948468335 /nfs/dbraw/zinc/46/83/35/948468335.db2.gz MQMFQDRTBBDOQY-GOEBONIOSA-N 2 0 299.422 1.606 20 30 CDEDRP C=CCOC1CCC([N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246852851 948477681 /nfs/dbraw/zinc/47/76/81/948477681.db2.gz KYSOYAQDIBMWSG-XSCHDIRWSA-N 2 0 250.386 1.923 20 30 CDEDRP C=C(C)C(=O)OCCNC1CC[NH+](CC(C)C)CC1 ZINC001258003060 948675235 /nfs/dbraw/zinc/67/52/35/948675235.db2.gz WNZRROFMHNJZLH-UHFFFAOYSA-N 2 0 268.401 1.816 20 30 CDEDRP C#CCOC[C@@H](O)C[NH2+]CC[PH+](C(C)C)C(C)C ZINC001251902938 950942266 /nfs/dbraw/zinc/94/22/66/950942266.db2.gz BERCWYVTLREGOR-AWEZNQCLSA-N 2 0 273.357 1.885 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001252499234 951378723 /nfs/dbraw/zinc/37/87/23/951378723.db2.gz XNHJHTWNYWEOMX-RRFJBIMHSA-N 2 0 270.417 1.258 20 30 CDEDRP C=C[C@H](O)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001253577884 951966421 /nfs/dbraw/zinc/96/64/21/951966421.db2.gz QODUQCIBFUBCJA-ULQDDVLXSA-N 2 0 294.439 1.214 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001319107290 958376824 /nfs/dbraw/zinc/37/68/24/958376824.db2.gz XHGOXSJOAGVMMH-HUUCEWRRSA-N 2 0 281.444 1.729 20 30 CDEDRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC001335369594 959749789 /nfs/dbraw/zinc/74/97/89/959749789.db2.gz WYDJRZUHMVDDOE-OLZOCXBDSA-N 2 0 253.390 1.219 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001495382064 972484675 /nfs/dbraw/zinc/48/46/75/972484675.db2.gz ZMODCQOWJSSKBN-GJZGRUSLSA-N 2 0 279.428 1.178 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001419695879 961979145 /nfs/dbraw/zinc/97/91/45/961979145.db2.gz CMSUPUFAGCYOCL-GFCCVEGCSA-N 2 0 287.835 1.517 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001437399680 962863346 /nfs/dbraw/zinc/86/33/46/962863346.db2.gz DMMQWSLAOUOFBE-GFCCVEGCSA-N 2 0 287.835 1.565 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC001341453091 963423104 /nfs/dbraw/zinc/42/31/04/963423104.db2.gz VXSAOFSGSFWDPO-OLZOCXBDSA-N 2 0 253.390 1.126 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N(C)C[C@H](C)[NH3+] ZINC001341488687 963435216 /nfs/dbraw/zinc/43/52/16/963435216.db2.gz NLMGKQFGFCATFF-QWHCGFSZSA-N 2 0 257.422 1.870 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC001341601135 963478172 /nfs/dbraw/zinc/47/81/72/963478172.db2.gz VBBVPDCIGYGCQQ-CYBMUJFWSA-N 2 0 285.351 1.889 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001439472015 963769666 /nfs/dbraw/zinc/76/96/66/963769666.db2.gz OGFQQVRSCAGBIN-AWEZNQCLSA-N 2 0 299.846 1.565 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001100345115 968075633 /nfs/dbraw/zinc/07/56/33/968075633.db2.gz QDUMLXNVODHGGK-SSHXOBKSSA-N 2 0 291.439 1.224 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001378556923 975393519 /nfs/dbraw/zinc/39/35/19/975393519.db2.gz PCKHRCDLHAGZJN-JQWIXIFHSA-N 2 0 273.808 1.175 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001403213404 976818229 /nfs/dbraw/zinc/81/82/29/976818229.db2.gz OIAHKDGPJVPHOI-LBPRGKRZSA-N 2 0 273.808 1.271 20 30 CDEDRP C=CCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132278483 1163226319 /nfs/dbraw/zinc/22/63/19/1163226319.db2.gz PLEDMKDYMUQVRC-UONOGXRCSA-N 2 0 267.417 1.483 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132794828 1163482780 /nfs/dbraw/zinc/48/27/80/1163482780.db2.gz HFZMXGXPGUHWET-MRXNPFEDSA-N 2 0 291.439 1.513 20 30 CDEDRP C#CC[C@]1(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)CCC[NH2+]1 ZINC001574515850 1170990007 /nfs/dbraw/zinc/99/00/07/1170990007.db2.gz AIHCSJIGIPWDFH-JKIFEVAISA-N 2 0 289.423 1.121 20 30 CDEDRP C[C@@H]1C[C@@H](C)N(Cc2cccc(C#N)n2)C[C@H]1C[NH3+] ZINC001576600239 1171464590 /nfs/dbraw/zinc/46/45/90/1171464590.db2.gz ZRBWHLIICWBZHH-JHJVBQTASA-N 2 0 258.369 1.758 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)CC[NH2+]C(C)C)CC1 ZINC000572718496 342450278 /nfs/dbraw/zinc/45/02/78/342450278.db2.gz GGJIZQZUGVBOIQ-UHFFFAOYSA-N 2 0 253.390 1.141 20 30 CDEDRP C[C@@H](NC(=O)N(C)Cc1nccn1C)C1=CC[N@H+](C)CC1 ZINC000329686184 361761805 /nfs/dbraw/zinc/76/18/05/361761805.db2.gz ALZQJBLJMPYQPJ-GFCCVEGCSA-N 2 0 291.399 1.416 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000351753506 361916672 /nfs/dbraw/zinc/91/66/72/361916672.db2.gz WDECKYJTRIEYGR-HOTGVXAUSA-N 2 0 265.445 1.910 20 30 CDEDRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1(C)C ZINC000442869149 362098716 /nfs/dbraw/zinc/09/87/16/362098716.db2.gz IKFBLPRXSZXVDN-LSDHHAIUSA-N 2 0 278.444 1.684 20 30 CDEDRP N#Cc1ccc(CC[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000595892189 343182009 /nfs/dbraw/zinc/18/20/09/343182009.db2.gz LVWLEMSOEOPSKT-KRWDZBQOSA-N 2 0 284.407 1.080 20 30 CDEDRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598596453 343841106 /nfs/dbraw/zinc/84/11/06/343841106.db2.gz RQPGVSJJRKFFIB-ZIAGYGMSSA-N 2 0 267.417 1.561 20 30 CDEDRP CNC(=[NH2+])NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000264076406 362959285 /nfs/dbraw/zinc/95/92/85/362959285.db2.gz FVRMOLINASLXFR-NSHDSACASA-N 2 0 266.414 1.494 20 30 CDEDRP CCc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000264088872 362964424 /nfs/dbraw/zinc/96/44/24/362964424.db2.gz KIHDVOOCPVATKC-ZDUSSCGKSA-N 2 0 260.385 1.927 20 30 CDEDRP C=CC[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420976391 376543964 /nfs/dbraw/zinc/54/39/64/376543964.db2.gz GYFGUACCHDXXLQ-UHFFFAOYSA-N 2 0 251.418 1.664 20 30 CDEDRP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001662304427 1172525999 /nfs/dbraw/zinc/52/59/99/1172525999.db2.gz XBWXUADOHLBQQA-CHWSQXEVSA-N 2 0 253.390 1.141 20 30 CDEDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174269746 379425319 /nfs/dbraw/zinc/42/53/19/379425319.db2.gz RAXNEXBTSNCGNM-ZDUSSCGKSA-N 2 0 276.384 1.267 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237966840 390895557 /nfs/dbraw/zinc/89/55/57/390895557.db2.gz DJDPYDQHVVAPEE-CHWSQXEVSA-N 2 0 265.401 1.271 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339426422 391299346 /nfs/dbraw/zinc/29/93/46/391299346.db2.gz LTIXMJNNUMGXEL-LSDHHAIUSA-N 2 0 252.402 1.731 20 30 CDEDRP C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N(C)CCc1cccs1 ZINC000261665720 391673892 /nfs/dbraw/zinc/67/38/92/391673892.db2.gz BKSGUHIGFQZERK-CYBMUJFWSA-N 2 0 294.468 1.892 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000423233418 392960137 /nfs/dbraw/zinc/96/01/37/392960137.db2.gz JVLKDZXKIIYJJR-GOSISDBHSA-N 2 0 298.434 1.864 20 30 CDEDRP C=CCOc1cccc(C[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000414862762 263076031 /nfs/dbraw/zinc/07/60/31/263076031.db2.gz HVCFEOYMHGKWLA-UHFFFAOYSA-N 2 0 275.396 1.246 20 30 CDEDRP CN(CC[NH+](C)C)C(=O)NCCc1cn2c(n1)CCCC2 ZINC000331042640 264108001 /nfs/dbraw/zinc/10/80/01/264108001.db2.gz DGIXQUNHFBNIPE-UHFFFAOYSA-N 2 0 293.415 1.169 20 30 CDEDRP C=CC[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000661384368 424293952 /nfs/dbraw/zinc/29/39/52/424293952.db2.gz INKLJSFKTBJPLQ-CABCVRRESA-N 2 0 254.418 1.976 20 30 CDEDRP CC#CCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000368139094 267147366 /nfs/dbraw/zinc/14/73/66/267147366.db2.gz NHCDFLQDEMPDCL-HZPDHXFCSA-N 2 0 263.429 1.358 20 30 CDEDRP C=CCCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000563217949 327978297 /nfs/dbraw/zinc/97/82/97/327978297.db2.gz RBTGKQGMJQGCFL-UHFFFAOYSA-N 2 0 252.402 1.779 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CCCC)CC1 ZINC000112309076 328397069 /nfs/dbraw/zinc/39/70/69/328397069.db2.gz PTEAGGALUOZPOT-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP N#Cc1cccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000583997679 325283432 /nfs/dbraw/zinc/28/34/32/325283432.db2.gz PFYSLERWKQJHGN-SJORKVTESA-N 2 0 285.391 1.886 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001022596686 1159101347 /nfs/dbraw/zinc/10/13/47/1159101347.db2.gz PZQFPIMEDCMMOQ-ZQDZILKHSA-N 2 0 279.428 1.530 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000178114839 327286117 /nfs/dbraw/zinc/28/61/17/327286117.db2.gz PGHYRAXXOYESDY-CYBMUJFWSA-N 2 0 253.390 1.093 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001022713990 1159123311 /nfs/dbraw/zinc/12/33/11/1159123311.db2.gz OHLCXXSUZABJJP-ZENOOKHLSA-N 2 0 297.418 1.622 20 30 CDEDRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC2=[NH+]CCN2C)C1 ZINC000262475919 330016112 /nfs/dbraw/zinc/01/61/12/330016112.db2.gz CBOFLQULDPSJJG-STQMWFEESA-N 2 0 266.433 1.634 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCC(C#N)CC1 ZINC000262776314 330030848 /nfs/dbraw/zinc/03/08/48/330030848.db2.gz JHTYPIVQIXKEIS-YMAMQOFZSA-N 2 0 291.443 1.705 20 30 CDEDRP C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423098863 330169862 /nfs/dbraw/zinc/16/98/62/330169862.db2.gz SSNMSCQECJIJTO-DFKRWLTFSA-N 2 0 250.386 1.840 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1c[nH+]ccc1-n1ccnc1 ZINC000424140440 330280643 /nfs/dbraw/zinc/28/06/43/330280643.db2.gz FZZBPYWTHIUIRP-NSHDSACASA-N 2 0 284.323 1.227 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000424155649 330303362 /nfs/dbraw/zinc/30/33/62/330303362.db2.gz NJAZQUOFQCXWKX-JSGCOSHPSA-N 2 0 278.400 1.141 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(C)(C)C[NH3+])C(C)C ZINC000165198447 331306049 /nfs/dbraw/zinc/30/60/49/331306049.db2.gz UQRWDVGNXKEVSY-AWEZNQCLSA-N 2 0 281.444 1.786 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000491795747 332354878 /nfs/dbraw/zinc/35/48/78/332354878.db2.gz WVKHCFMIDPKDDT-LSDHHAIUSA-N 2 0 294.443 1.114 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001753721248 1159894019 /nfs/dbraw/zinc/89/40/19/1159894019.db2.gz PLLIGDKBMAGYLF-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089559417 1161219210 /nfs/dbraw/zinc/21/92/10/1161219210.db2.gz OIJFYGPKIJCMDF-GJZGRUSLSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001754683086 1185704709 /nfs/dbraw/zinc/70/47/09/1185704709.db2.gz ROPGKIYUVDSHIF-MRXNPFEDSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001113346123 1162158474 /nfs/dbraw/zinc/15/84/74/1162158474.db2.gz QASYZMMHWUFYCG-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000334905503 526429619 /nfs/dbraw/zinc/42/96/19/526429619.db2.gz BNUBBIJYKISKNT-MRXNPFEDSA-N 2 0 292.427 1.032 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000334906756 526431361 /nfs/dbraw/zinc/43/13/61/526431361.db2.gz LSUGYCGMWPSFBU-STQMWFEESA-N 2 0 280.416 1.029 20 30 CDEDRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000742370361 576597887 /nfs/dbraw/zinc/59/78/87/576597887.db2.gz NQAOWNHEKXNHGX-UHFFFAOYSA-N 2 0 276.384 1.268 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000972480211 613083260 /nfs/dbraw/zinc/08/32/60/613083260.db2.gz YMXITWWLPURTON-JKSUJKDBSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000971833382 613086474 /nfs/dbraw/zinc/08/64/74/613086474.db2.gz WVTLKCHMTAXLIQ-OAHLLOKOSA-N 2 0 296.374 1.422 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000947551146 613270062 /nfs/dbraw/zinc/27/00/62/613270062.db2.gz GFHMPVMVAHFTOQ-ZFWWWQNUSA-N 2 0 296.374 1.550 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000969675597 613348690 /nfs/dbraw/zinc/34/86/90/613348690.db2.gz WFFXQTYUCJZUNX-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000972331849 613628114 /nfs/dbraw/zinc/62/81/14/613628114.db2.gz MRGREAROTZMWRO-AWEZNQCLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969115850 613685688 /nfs/dbraw/zinc/68/56/88/613685688.db2.gz VSXYZPXPYISCRS-HNNXBMFYSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CC[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000948775334 613704031 /nfs/dbraw/zinc/70/40/31/613704031.db2.gz GEKTYDANRIHGPT-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000977218623 613826420 /nfs/dbraw/zinc/82/64/20/613826420.db2.gz ZQWJCQKCBZEVFK-HNNXBMFYSA-N 2 0 293.455 1.731 20 30 CDEDRP CCCNC(=[NH2+])NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000157395095 617984513 /nfs/dbraw/zinc/98/45/13/617984513.db2.gz DTJWFUQQXBTLCT-ZDUSSCGKSA-N 2 0 254.422 1.669 20 30 CDEDRP CC#CC[C@@H](CO)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000895096735 619286417 /nfs/dbraw/zinc/28/64/17/619286417.db2.gz QBVCHXYDTZWVFO-HNNXBMFYSA-N 2 0 250.386 1.225 20 30 CDEDRP C=CCc1cc(C[NH2+]C2CC([NH3+])C2)cc(OC)c1O ZINC000906510032 627297726 /nfs/dbraw/zinc/29/77/26/627297726.db2.gz LEBLQVKYFMEODN-UHFFFAOYSA-N 2 0 262.353 1.709 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001167232809 1158545800 /nfs/dbraw/zinc/54/58/00/1158545800.db2.gz QSFAVSDWDHEROG-CQSZACIVSA-N 2 0 279.428 1.390 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001158128596 1162732101 /nfs/dbraw/zinc/73/21/01/1162732101.db2.gz GSNDRUAZQLEJGF-HUUCEWRRSA-N 2 0 281.444 1.826 20 30 CDEDRP C=CCC[NH2+]CCN(CC)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001754081121 1158740871 /nfs/dbraw/zinc/74/08/71/1158740871.db2.gz PPXOIMRZDZTJIS-AWEZNQCLSA-N 2 0 267.417 1.342 20 30 CDEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001168136604 1160434569 /nfs/dbraw/zinc/43/45/69/1160434569.db2.gz HZFOCOLBMOTNJA-HNNXBMFYSA-N 2 0 293.455 1.780 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874871 1161200895 /nfs/dbraw/zinc/20/08/95/1161200895.db2.gz WCQPEKVTXHAUHN-BZUAXINKSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134765999 1164101397 /nfs/dbraw/zinc/10/13/97/1164101397.db2.gz CEVGWSIVFZZDAF-OAHLLOKOSA-N 2 0 297.443 1.158 20 30 CDEDRP C=CC1(CC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)C[NH2+]C1 ZINC001574879428 1171034532 /nfs/dbraw/zinc/03/45/32/1171034532.db2.gz DEZHTSWTYLNLMW-LBPRGKRZSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CC[C@@H](C(=O)OC)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC001574887812 1171037864 /nfs/dbraw/zinc/03/78/64/1171037864.db2.gz CMYQKLKPMLXMJL-CABCVRRESA-N 2 0 280.412 1.816 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001731354312 1182334962 /nfs/dbraw/zinc/33/49/62/1182334962.db2.gz JACQFZXPJVGGJF-HZPDHXFCSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CCC[NH+]1CCCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001752823941 1184924274 /nfs/dbraw/zinc/92/42/74/1184924274.db2.gz MYKVIOHCYZMHCQ-HNNXBMFYSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001752970713 1184980101 /nfs/dbraw/zinc/98/01/01/1184980101.db2.gz DUWCMDOLMGAFFY-UONOGXRCSA-N 2 0 277.412 1.121 20 30 CDEDRP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001753302765 1185148339 /nfs/dbraw/zinc/14/83/39/1185148339.db2.gz JBOCNXGPZGWHJK-CVEARBPZSA-N 2 0 285.391 1.018 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001753441858 1185208136 /nfs/dbraw/zinc/20/81/36/1185208136.db2.gz QCPCMTGTGYDYCK-AWEZNQCLSA-N 2 0 267.417 1.437 20 30 CDEDRP C=CC[NH2+][C@@H](CC)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001753487933 1185233009 /nfs/dbraw/zinc/23/30/09/1185233009.db2.gz MWZAHMITBMELPA-GJZGRUSLSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001753729363 1185319828 /nfs/dbraw/zinc/31/98/28/1185319828.db2.gz RHISOCNLHYMOCG-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[NH2+]CCN(CC)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001754076255 1185450985 /nfs/dbraw/zinc/45/09/85/1185450985.db2.gz XRORZSKZQGLCOH-UHFFFAOYSA-N 2 0 291.439 1.180 20 30 CDEDRP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001754253265 1185531170 /nfs/dbraw/zinc/53/11/70/1185531170.db2.gz FLSBTURYMHBIBO-NVXWUHKLSA-N 2 0 299.418 1.084 20 30 CDEDRP C=C(C)C[NH2+]CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001754406456 1185611049 /nfs/dbraw/zinc/61/10/49/1185611049.db2.gz YPUUVYWFNDVQHH-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001754662096 1185693858 /nfs/dbraw/zinc/69/38/58/1185693858.db2.gz QUVZINDMJJXJKU-QGZVFWFLSA-N 2 0 291.439 1.276 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001754817980 1185740262 /nfs/dbraw/zinc/74/02/62/1185740262.db2.gz OUONUFHEHCDDRZ-GJZGRUSLSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001755036334 1185793737 /nfs/dbraw/zinc/79/37/37/1185793737.db2.gz BQDOBWTXYVOQTR-OAHLLOKOSA-N 2 0 279.428 1.273 20 30 CDEDRP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001755195189 1185848739 /nfs/dbraw/zinc/84/87/39/1185848739.db2.gz KUTHZEHQBAHCMJ-JKSUJKDBSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001755526442 1185980752 /nfs/dbraw/zinc/98/07/52/1185980752.db2.gz IHHWZABUDWPZST-HZPDHXFCSA-N 2 0 293.455 1.615 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001755743451 1186055538 /nfs/dbraw/zinc/05/55/38/1186055538.db2.gz IZCMFSHDNUFEFZ-CABCVRRESA-N 2 0 291.439 1.226 20 30 CDEDRP CC#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C ZINC001755835962 1186084974 /nfs/dbraw/zinc/08/49/74/1186084974.db2.gz JZOQXIVGQRPDIT-CQSZACIVSA-N 2 0 281.444 1.472 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133856503 1163933975 /nfs/dbraw/zinc/93/39/75/1163933975.db2.gz HKPRJGVKJNSWKY-MRXNPFEDSA-N 2 0 299.434 1.871 20 30 CDEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175262444 1164303367 /nfs/dbraw/zinc/30/33/67/1164303367.db2.gz HCFFYGIUDYUNIC-LSDHHAIUSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001202526755 1165007276 /nfs/dbraw/zinc/00/72/76/1165007276.db2.gz OKLDYSNJECLSGZ-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127327371 913879520 /nfs/dbraw/zinc/87/95/20/913879520.db2.gz KKWLHPHTKHEQML-UHFFFAOYSA-N 2 0 267.417 1.533 20 30 CDEDRP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021737986 895724111 /nfs/dbraw/zinc/72/41/11/895724111.db2.gz XYORXXMFJNPYRJ-HZPDHXFCSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CCNC(=[NH2+])NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000066244596 898254790 /nfs/dbraw/zinc/25/47/90/898254790.db2.gz PHWMWJYUEJUSMH-CHWSQXEVSA-N 2 0 266.433 1.833 20 30 CDEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176752969 914259008 /nfs/dbraw/zinc/25/90/08/914259008.db2.gz BSLVYQXZRRFYDH-CQSZACIVSA-N 2 0 269.433 1.777 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001019817825 899212841 /nfs/dbraw/zinc/21/28/41/899212841.db2.gz FXTHSGGKKMJWDK-HNNXBMFYSA-N 2 0 287.407 1.738 20 30 CDEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105007537 899782069 /nfs/dbraw/zinc/78/20/69/899782069.db2.gz BEOZUJSGYVNFLX-OAGGEKHMSA-N 2 0 293.455 1.588 20 30 CDEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001105014097 899788857 /nfs/dbraw/zinc/78/88/57/899788857.db2.gz CACLRUZDLJLMJI-HZPDHXFCSA-N 2 0 291.439 1.180 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027481071 900526910 /nfs/dbraw/zinc/52/69/10/900526910.db2.gz OWLIVBKQSBNXMR-OAHLLOKOSA-N 2 0 296.374 1.504 20 30 CDEDRP CCc1nc(C#N)c(NC(=N)NCCCC[NH3+])nc1Cl ZINC001167877429 901592381 /nfs/dbraw/zinc/59/23/81/901592381.db2.gz CWAZUUIXONFRRN-UHFFFAOYSA-N 2 0 295.778 1.239 20 30 CDEDRP N#Cc1ccnc(NC(=[NH2+])NCCCC[NH3+])c1Cl ZINC001167880216 901620656 /nfs/dbraw/zinc/62/06/56/901620656.db2.gz CBAOZYGEVVOIRZ-UHFFFAOYSA-N 2 0 266.736 1.282 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC2CN(CC=C(C)C)C2)CC1 ZINC001031435320 914630654 /nfs/dbraw/zinc/63/06/54/914630654.db2.gz XNJMUXUPEXXYGK-UHFFFAOYSA-N 2 0 289.423 1.098 20 30 CDEDRP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001028552435 902593552 /nfs/dbraw/zinc/59/35/52/902593552.db2.gz MXMSJVOIFBONIK-OWCLPIDISA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001179982709 916097989 /nfs/dbraw/zinc/09/79/89/916097989.db2.gz DGVAFQDDLYZOOE-STQMWFEESA-N 2 0 253.390 1.093 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001028985884 904544660 /nfs/dbraw/zinc/54/46/60/904544660.db2.gz NTWRWIKRPJPCJO-CABCVRRESA-N 2 0 279.428 1.342 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000261975381 904652244 /nfs/dbraw/zinc/65/22/44/904652244.db2.gz FSCXXZAXOBTTGV-DZGCQCFKSA-N 2 0 266.433 1.977 20 30 CDEDRP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000985433546 906641684 /nfs/dbraw/zinc/64/16/84/906641684.db2.gz MDLCJLZQCAVUGE-INIZCTEOSA-N 2 0 291.439 1.415 20 30 CDEDRP CC[NH+]=C(NC[C@@H](C)N1CC[NH+](CC)CC1)NC(C)(C)C ZINC000303489958 906658518 /nfs/dbraw/zinc/65/85/18/906658518.db2.gz XLBDDWCRNXSCHR-CQSZACIVSA-N 2 0 297.491 1.366 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001271953610 907028272 /nfs/dbraw/zinc/02/82/72/907028272.db2.gz HSRQKJTVVVVDSH-IYBDPMFKSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000985788268 907129846 /nfs/dbraw/zinc/12/98/46/907129846.db2.gz UCLCKJLUNMZOLY-ZDUSSCGKSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189055508 921310752 /nfs/dbraw/zinc/31/07/52/921310752.db2.gz XIUMCJLDAAFFES-UONOGXRCSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000989113469 908670298 /nfs/dbraw/zinc/67/02/98/908670298.db2.gz SXYNZMXFBMMKPC-JSGCOSHPSA-N 2 0 284.363 1.713 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCC)C[C@@H]2C)CC1 ZINC000989829813 909012248 /nfs/dbraw/zinc/01/22/48/909012248.db2.gz WWMCQHWSYDRXDQ-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001273010135 921481815 /nfs/dbraw/zinc/48/18/15/921481815.db2.gz DCQUFIOXJXPUBE-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C[NH+]=C(NCC1CC[NH+](C)CC1)N1CC[C@@]2(CCOC2)C1 ZINC000158033360 911709052 /nfs/dbraw/zinc/70/90/52/911709052.db2.gz YDNLCUKBPUVAMR-MRXNPFEDSA-N 2 0 294.443 1.016 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178731030 915612572 /nfs/dbraw/zinc/61/25/72/915612572.db2.gz LOZCBOSMJSSEBW-QXSJWSMHSA-N 2 0 293.455 1.872 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001179379014 915828507 /nfs/dbraw/zinc/82/85/07/915828507.db2.gz WPLQVCHNOIBLRJ-HOTGVXAUSA-N 2 0 293.455 1.616 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@H]1C ZINC001179516360 915856182 /nfs/dbraw/zinc/85/61/82/915856182.db2.gz ACNUUZUCWIUEFZ-JYJNAYRXSA-N 2 0 293.455 1.709 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001179929206 916073448 /nfs/dbraw/zinc/07/34/48/916073448.db2.gz HFYSZIHGUGDCOM-GJZGRUSLSA-N 2 0 291.439 1.627 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)CC[N@@H+](C)CC ZINC001179988526 916104378 /nfs/dbraw/zinc/10/43/78/916104378.db2.gz JQVFZFMZUHYWMV-UHFFFAOYSA-N 2 0 281.444 1.618 20 30 CDEDRP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001180264787 916232538 /nfs/dbraw/zinc/23/25/38/916232538.db2.gz KRDNIZNXRIRDKH-OAHLLOKOSA-N 2 0 281.444 1.780 20 30 CDEDRP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001052956571 936405756 /nfs/dbraw/zinc/40/57/56/936405756.db2.gz VAOHHTOVLYXBKP-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC1CC[NH+](CCOCC[NH+]2CCC(C#C)CC2)CC1 ZINC000830343354 936455159 /nfs/dbraw/zinc/45/51/59/936455159.db2.gz UZYXOYMCZDUXHO-UHFFFAOYSA-N 2 0 288.435 1.693 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107040454 917894105 /nfs/dbraw/zinc/89/41/05/917894105.db2.gz FCKXJIAMKPYMMY-HUUCEWRRSA-N 2 0 279.428 1.034 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001054863719 936475386 /nfs/dbraw/zinc/47/53/86/936475386.db2.gz WDESTBAZKBCZNE-CZUORRHYSA-N 2 0 298.390 1.961 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000996797002 918453507 /nfs/dbraw/zinc/45/35/07/918453507.db2.gz FMOBROFWVCLACX-UHFFFAOYSA-N 2 0 282.347 1.162 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000996965195 918756874 /nfs/dbraw/zinc/75/68/74/918756874.db2.gz MYSPEZSAZZGUMS-OAHLLOKOSA-N 2 0 281.444 1.729 20 30 CDEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000996981710 918772022 /nfs/dbraw/zinc/77/20/22/918772022.db2.gz XKLRWESNYTWZKC-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001185408123 919602449 /nfs/dbraw/zinc/60/24/49/919602449.db2.gz LNXUGUMPTGGJJL-QGZVFWFLSA-N 2 0 299.418 1.180 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001185680275 919722316 /nfs/dbraw/zinc/72/23/16/919722316.db2.gz FNGHWUBBMOYKSM-HUUCEWRRSA-N 2 0 279.428 1.342 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071994083 936696209 /nfs/dbraw/zinc/69/62/09/936696209.db2.gz CGSYUZHANHDEMX-CABCVRRESA-N 2 0 291.439 1.627 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001072854724 936711297 /nfs/dbraw/zinc/71/12/97/936711297.db2.gz XVDUCRZZDWKAIH-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033152674 921937197 /nfs/dbraw/zinc/93/71/97/921937197.db2.gz QUMRGZNMMCNSQY-HZPDHXFCSA-N 2 0 293.455 1.968 20 30 CDEDRP CN1CCN(C(=[NH2+])Nc2cccc(/C=N/O)c2)CC1 ZINC001168740705 921971652 /nfs/dbraw/zinc/97/16/52/921971652.db2.gz NLTDBMVDYBLBKQ-XNTDXEJSSA-N 2 0 261.329 1.089 20 30 CDEDRP C#CC[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000775400601 922089626 /nfs/dbraw/zinc/08/96/26/922089626.db2.gz QEBDAIWYIOPJLV-IAGOWNOFSA-N 2 0 272.392 1.797 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033582764 922267187 /nfs/dbraw/zinc/26/71/87/922267187.db2.gz QMEOWEMTAIARLD-UONOGXRCSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033663506 922302855 /nfs/dbraw/zinc/30/28/55/922302855.db2.gz WHOSDSYJMGYJSS-KGLIPLIRSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033837910 922388448 /nfs/dbraw/zinc/38/84/48/922388448.db2.gz KUDNGSLPJOOWGL-OWCLPIDISA-N 2 0 293.455 1.826 20 30 CDEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191351776 922501808 /nfs/dbraw/zinc/50/18/08/922501808.db2.gz LQUGHCABMVWNTO-MRXNPFEDSA-N 2 0 296.374 1.504 20 30 CDEDRP C=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034139901 922507721 /nfs/dbraw/zinc/50/77/21/922507721.db2.gz WMHQCCSZHWPTIA-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034455821 922639252 /nfs/dbraw/zinc/63/92/52/922639252.db2.gz UZXPLTKVQDIWNL-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001005590245 922730544 /nfs/dbraw/zinc/73/05/44/922730544.db2.gz WSCURHYXOZBRMS-OAHLLOKOSA-N 2 0 277.412 1.027 20 30 CDEDRP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099335566 936785354 /nfs/dbraw/zinc/78/53/54/936785354.db2.gz YWGHOYPBTLYAFK-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001036227443 923124604 /nfs/dbraw/zinc/12/46/04/923124604.db2.gz XTYNNMPNJSCTIE-JKSUJKDBSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC)[C@H](C)C2)CC1 ZINC001036308262 923147000 /nfs/dbraw/zinc/14/70/00/923147000.db2.gz DEEOCJRFUAKEOJ-ZBFHGGJFSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194295951 924169468 /nfs/dbraw/zinc/16/94/68/924169468.db2.gz SBCFMIZNFGTCPG-HNNXBMFYSA-N 2 0 281.444 1.826 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001079681335 924403841 /nfs/dbraw/zinc/40/38/41/924403841.db2.gz HRGWYFSCGWGEEO-OAGGEKHMSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001080011736 924467807 /nfs/dbraw/zinc/46/78/07/924467807.db2.gz JBJRHXPLFQIJNE-MLGOLLRUSA-N 2 0 298.390 1.879 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084702055 925367604 /nfs/dbraw/zinc/36/76/04/925367604.db2.gz FBGLEGDWUVYPRQ-HZPDHXFCSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CCOC[C@@H](O)C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001251897120 925821088 /nfs/dbraw/zinc/82/10/88/925821088.db2.gz SPVSUEXSQQWQTO-KRWDZBQOSA-N 2 0 294.439 1.241 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085422201 925942375 /nfs/dbraw/zinc/94/23/75/925942375.db2.gz KWTSSEVRBPITNC-BFHYXJOUSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085593532 926191426 /nfs/dbraw/zinc/19/14/26/926191426.db2.gz LLAXBUAFISQQME-HUUCEWRRSA-N 2 0 279.428 1.578 20 30 CDEDRP C[NH+]1CCN(c2cc(Nc3cnccc3C#N)cc[nH+]2)CC1 ZINC001201651044 926373251 /nfs/dbraw/zinc/37/32/51/926373251.db2.gz KMPGAGYQJHYYSF-UHFFFAOYSA-N 2 0 294.362 1.844 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)Cn2ccnc2C)C1 ZINC001488794181 926716161 /nfs/dbraw/zinc/71/61/61/926716161.db2.gz NRPHWBDEIFVDBD-BETUJISGSA-N 2 0 296.802 1.428 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001086242575 926878900 /nfs/dbraw/zinc/87/89/00/926878900.db2.gz STPJPNVQEMYJEA-FZNQNYSPSA-N 2 0 291.439 1.224 20 30 CDEDRP CC#CC[NH+]1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001006292877 926905325 /nfs/dbraw/zinc/90/53/25/926905325.db2.gz VHGCGMQUENBKIA-OAHLLOKOSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001103086668 937121013 /nfs/dbraw/zinc/12/10/13/937121013.db2.gz MNQQAAVDDSJUCG-FVQBIDKESA-N 2 0 293.455 1.587 20 30 CDEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103089963 937121997 /nfs/dbraw/zinc/12/19/97/937121997.db2.gz HRFLNGMDZVJFFA-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086370244 927042752 /nfs/dbraw/zinc/04/27/52/927042752.db2.gz XWNNHWUXPQFANI-KBUPBQIOSA-N 2 0 279.428 1.387 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398106 937140019 /nfs/dbraw/zinc/14/00/19/937140019.db2.gz CVUSDABWVTXKHI-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C#CCC[NH+]1CCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000851872373 927649826 /nfs/dbraw/zinc/64/98/26/927649826.db2.gz DECVVTHLTFOSJB-IRXDYDNUSA-N 2 0 277.456 1.605 20 30 CDEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1(C#N)CC[NH+](C)CC1)C2 ZINC001169120187 927723787 /nfs/dbraw/zinc/72/37/87/927723787.db2.gz ZFGKRJYKOSXUQS-BTTYYORXSA-N 2 0 262.401 1.189 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110667663 928012413 /nfs/dbraw/zinc/01/24/13/928012413.db2.gz DYCQIMZBLIONDA-LVQVYYBASA-N 2 0 289.423 1.071 20 30 CDEDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000857234858 928684758 /nfs/dbraw/zinc/68/47/58/928684758.db2.gz NULOBDMDIJTAPW-MGPQQGTHSA-N 2 0 267.417 1.750 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086533968 929099584 /nfs/dbraw/zinc/09/95/84/929099584.db2.gz JKCRKUYRKBKAJX-HDJSIYSDSA-N 2 0 277.412 1.143 20 30 CDEDRP C[NH+]1CCC(C[NH+]2CCN(c3ncccc3C#N)CC2)CC1 ZINC000788469578 929534288 /nfs/dbraw/zinc/53/42/88/929534288.db2.gz HBMJUIVKLZLSGF-UHFFFAOYSA-N 2 0 299.422 1.417 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001152480681 937365485 /nfs/dbraw/zinc/36/54/85/937365485.db2.gz ZKXUKTONFYZSAS-OAHLLOKOSA-N 2 0 279.428 1.226 20 30 CDEDRP C#CC[N@@H+](C)CCCNCc1cc(OC)c(OC)cc1F ZINC000883131312 930146482 /nfs/dbraw/zinc/14/64/82/930146482.db2.gz VNZQFGJBWKVVKO-UHFFFAOYSA-N 2 0 294.370 1.888 20 30 CDEDRP C=CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCCO1 ZINC000883176053 930159220 /nfs/dbraw/zinc/15/92/20/930159220.db2.gz UTVKVIMTFAEMBN-PMPSAXMXSA-N 2 0 282.428 1.547 20 30 CDEDRP C=CCC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000883192195 930160855 /nfs/dbraw/zinc/16/08/55/930160855.db2.gz SORBKOLPLQJSAL-HUUCEWRRSA-N 2 0 282.428 1.547 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135475739 930226862 /nfs/dbraw/zinc/22/68/62/930226862.db2.gz FVAPXOWTMJGHIH-ZIAGYGMSSA-N 2 0 281.444 1.470 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCCCC1 ZINC001115732905 937416753 /nfs/dbraw/zinc/41/67/53/937416753.db2.gz AIEGXXFJIHTHAW-AWEZNQCLSA-N 2 0 279.428 1.369 20 30 CDEDRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(OCC#N)cc1 ZINC000817945145 930643080 /nfs/dbraw/zinc/64/30/80/930643080.db2.gz VOHPFXYAOFHERH-CQSZACIVSA-N 2 0 288.395 1.145 20 30 CDEDRP N#CCc1ccc(Cl)cc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170906975 930720857 /nfs/dbraw/zinc/72/08/57/930720857.db2.gz ZHIIRQWVCDRLCN-GFCCVEGCSA-N 2 0 252.749 1.842 20 30 CDEDRP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886171434 930820315 /nfs/dbraw/zinc/82/03/15/930820315.db2.gz HCBSDGNTDYXMSH-LSDHHAIUSA-N 2 0 279.428 1.847 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(CCC)[C@H]2CC[N@H+](C)C2)CC1 ZINC000843992327 931523894 /nfs/dbraw/zinc/52/38/94/931523894.db2.gz QHKWIGULBIHUMO-INIZCTEOSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001091058795 931774222 /nfs/dbraw/zinc/77/42/22/931774222.db2.gz UYDHMPRWZMIXPY-NRXISQOPSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]C(C)C)CC1 ZINC001146610918 932272191 /nfs/dbraw/zinc/27/21/91/932272191.db2.gz KUENXHUNSQLSQS-HUUCEWRRSA-N 2 0 293.455 1.613 20 30 CDEDRP C=CC[N@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148161291 932658336 /nfs/dbraw/zinc/65/83/36/932658336.db2.gz RTZWFSNHVVPFCI-UHFFFAOYSA-N 2 0 265.401 1.049 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)CCC ZINC001148638724 932767827 /nfs/dbraw/zinc/76/78/27/932767827.db2.gz OXJXJMHVJUHSQL-CYBMUJFWSA-N 2 0 255.406 1.389 20 30 CDEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000925216163 932860908 /nfs/dbraw/zinc/86/09/08/932860908.db2.gz RITCCUNHZQSJLU-AWEZNQCLSA-N 2 0 280.460 1.930 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226957 937651254 /nfs/dbraw/zinc/65/12/54/937651254.db2.gz SHPNTSOKOKQDSJ-LSDHHAIUSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155255640 937653562 /nfs/dbraw/zinc/65/35/62/937653562.db2.gz WRGDHPLMYINRGZ-UONOGXRCSA-N 2 0 267.417 1.341 20 30 CDEDRP N#Cc1c(N[C@H]2C[NH+]3CCC2CC3)ncc2c1CCC[NH2+]C2 ZINC001155661748 937661678 /nfs/dbraw/zinc/66/16/78/937661678.db2.gz HKKCFRCZJYXZST-INIZCTEOSA-N 2 0 297.406 1.495 20 30 CDEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001111308920 934550201 /nfs/dbraw/zinc/55/02/01/934550201.db2.gz DLOYCSIYJYJTGA-KFWWJZLASA-N 2 0 279.428 1.626 20 30 CDEDRP CCC(CC)[C@H](CNC(=[NH2+])N[C@@H](C)COC)[NH+]1CCCC1 ZINC000303776660 935043184 /nfs/dbraw/zinc/04/31/84/935043184.db2.gz HYIMGGBZSULSLE-ZFWWWQNUSA-N 2 0 298.475 1.826 20 30 CDEDRP C[C@H]1C[NH+](CCCNC(=[NH2+])NC(C)(C)C)C[C@H](C)O1 ZINC000303788130 935043538 /nfs/dbraw/zinc/04/35/38/935043538.db2.gz TYDGVGICROEJKA-RYUDHWBXSA-N 2 0 270.421 1.189 20 30 CDEDRP CCCCCCNC(=[NH2+])NC[C@H](C)N1CC[NH+](C)CC1 ZINC000303981709 935049227 /nfs/dbraw/zinc/04/92/27/935049227.db2.gz PITOHWVBYBXDBP-AWEZNQCLSA-N 2 0 283.464 1.107 20 30 CDEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])N1CCCCCC1 ZINC000305064629 935102969 /nfs/dbraw/zinc/10/29/69/935102969.db2.gz MMGLOVVAZNJBBK-CYBMUJFWSA-N 2 0 254.422 1.907 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000305230888 935116282 /nfs/dbraw/zinc/11/62/82/935116282.db2.gz YBPLZXUUMHECIU-ZIAGYGMSSA-N 2 0 284.448 1.294 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001007951947 935393836 /nfs/dbraw/zinc/39/38/36/935393836.db2.gz PDTURNZTCMWSBB-AWEZNQCLSA-N 2 0 284.363 1.715 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001038622266 935414844 /nfs/dbraw/zinc/41/48/44/935414844.db2.gz IPQNYPFAQVHYKE-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009198810 935421154 /nfs/dbraw/zinc/42/11/54/935421154.db2.gz CXXMFBRBFKJEIN-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001038632227 935528299 /nfs/dbraw/zinc/52/82/99/935528299.db2.gz XAXPBZGAWBSOJQ-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)CN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015649328 935577662 /nfs/dbraw/zinc/57/76/62/935577662.db2.gz SGQBBDWZIORELH-CYBMUJFWSA-N 2 0 285.819 1.271 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015899274 935591438 /nfs/dbraw/zinc/59/14/38/935591438.db2.gz MFRXIEJEPJDBML-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001016336044 935610394 /nfs/dbraw/zinc/61/03/94/935610394.db2.gz AATBDTWVKWYGCA-HNNXBMFYSA-N 2 0 287.407 1.738 20 30 CDEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001016539029 935618373 /nfs/dbraw/zinc/61/83/73/935618373.db2.gz BWDGPAZBYKLTCD-HUUCEWRRSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001017565785 935642389 /nfs/dbraw/zinc/64/23/89/935642389.db2.gz URVDBTLVOPNEIY-LVQVYYBASA-N 2 0 289.423 1.025 20 30 CDEDRP C#CCCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001038324170 935741213 /nfs/dbraw/zinc/74/12/13/935741213.db2.gz ZCSJDRWOOHFGNO-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041377690 935798617 /nfs/dbraw/zinc/79/86/17/935798617.db2.gz DLNINEVTCCWTHT-DOTOQJQBSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001096012165 935878829 /nfs/dbraw/zinc/87/88/29/935878829.db2.gz NUGMZRCDJNNVJB-XGUBFFRZSA-N 2 0 277.412 1.378 20 30 CDEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001096012631 935878992 /nfs/dbraw/zinc/87/89/92/935878992.db2.gz UFPDKTXGZUUJSK-FZKCQIBNSA-N 2 0 291.439 1.768 20 30 CDEDRP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001045390014 935883892 /nfs/dbraw/zinc/88/38/92/935883892.db2.gz NALDERBDPONSMF-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001045556348 935886494 /nfs/dbraw/zinc/88/64/94/935886494.db2.gz CVSDJYRBMGVIGO-KBPBESRZSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046197570 935933391 /nfs/dbraw/zinc/93/33/91/935933391.db2.gz MJVCIQOYBYOETK-UKRRQHHQSA-N 2 0 265.401 1.237 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001046569835 935960032 /nfs/dbraw/zinc/96/00/32/935960032.db2.gz OQPNYSKWBGTFSH-YQQAZPJKSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@H](C)[NH2+]CC)C2)CC1 ZINC001048069319 936028746 /nfs/dbraw/zinc/02/87/46/936028746.db2.gz PDVDQGVHAZIUGW-GOEBONIOSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001048875659 936085963 /nfs/dbraw/zinc/08/59/63/936085963.db2.gz HJWSQHFHUCPWTD-XHSDSOJGSA-N 2 0 293.455 1.539 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001049217696 936125347 /nfs/dbraw/zinc/12/53/47/936125347.db2.gz YSNDLAMSRBOSNA-IYBDPMFKSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049696127 936171957 /nfs/dbraw/zinc/17/19/57/936171957.db2.gz XRQYJGSMHWZBOX-HOTGVXAUSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC001122026864 937900367 /nfs/dbraw/zinc/90/03/67/937900367.db2.gz GVROBPWCIYPCLP-GJZGRUSLSA-N 2 0 297.443 1.239 20 30 CDEDRP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157702550 938534352 /nfs/dbraw/zinc/53/43/52/938534352.db2.gz XABWDANPZYNXHZ-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NCCC[NH2+]CC=C(C)C ZINC001160209223 938775290 /nfs/dbraw/zinc/77/52/90/938775290.db2.gz DTNNFRIYJDYRBY-HNNXBMFYSA-N 2 0 277.412 1.146 20 30 CDEDRP C[C@H]1[NH2+]CC[C@H]1Nc1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001162676522 939112488 /nfs/dbraw/zinc/11/24/88/939112488.db2.gz RYQWHDBZVORVAG-PYTCVGRBSA-N 2 0 271.368 1.942 20 30 CDEDRP C[C@@H]1CC[C@H](C[NH3+])N(c2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001164061641 939402367 /nfs/dbraw/zinc/40/23/67/939402367.db2.gz GDPYPHIJVKDWFF-TZMCWYRMSA-N 2 0 299.422 1.553 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001164456264 939474807 /nfs/dbraw/zinc/47/48/07/939474807.db2.gz OLDMGPYINUAPFK-HNNXBMFYSA-N 2 0 281.444 1.780 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001166736575 939633264 /nfs/dbraw/zinc/63/32/64/939633264.db2.gz NXIHTHSMKJUCQY-UHFFFAOYSA-N 2 0 287.407 1.133 20 30 CDEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166970987 939664160 /nfs/dbraw/zinc/66/41/60/939664160.db2.gz AYYQVGZEZDYZME-UHFFFAOYSA-N 2 0 281.444 1.780 20 30 CDEDRP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576976 939694368 /nfs/dbraw/zinc/69/43/68/939694368.db2.gz MBSJSZJFSGTQMC-CABCVRRESA-N 2 0 291.439 1.369 20 30 CDEDRP C#Cc1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001205688819 939920074 /nfs/dbraw/zinc/92/00/74/939920074.db2.gz KEQBTJZNQLFSPL-INIZCTEOSA-N 2 0 258.365 1.344 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207684492 940230544 /nfs/dbraw/zinc/23/05/44/940230544.db2.gz PBTUTNJHZWAALW-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208062542 940282207 /nfs/dbraw/zinc/28/22/07/940282207.db2.gz CFTJSBRRYQHUBI-CVEARBPZSA-N 2 0 291.439 1.485 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001208278874 940313733 /nfs/dbraw/zinc/31/37/33/940313733.db2.gz CDGOEYFJDKIMIH-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210218178 940672513 /nfs/dbraw/zinc/67/25/13/940672513.db2.gz PHYFJYMISMFGAU-AWEZNQCLSA-N 2 0 267.417 1.485 20 30 CDEDRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(C#N)ccn1 ZINC001276688788 940709351 /nfs/dbraw/zinc/70/93/51/940709351.db2.gz STPCHNZNCDYWIE-IRXDYDNUSA-N 2 0 299.422 1.163 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211268306 940744425 /nfs/dbraw/zinc/74/44/25/940744425.db2.gz HZUIFJKNUGZLIQ-ZDUSSCGKSA-N 2 0 287.835 1.660 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214754830 940838060 /nfs/dbraw/zinc/83/80/60/940838060.db2.gz IJWWDDPGJDPICE-QLFBSQMISA-N 2 0 297.418 1.126 20 30 CDEDRP C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000402353871 940894941 /nfs/dbraw/zinc/89/49/41/940894941.db2.gz SVGNZZSBIXAHEI-DAXOMENPSA-N 2 0 273.380 1.508 20 30 CDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@@H]1C[C@@H]2C[NH2+]CC[C@@H]2O1 ZINC001217934536 941030530 /nfs/dbraw/zinc/03/05/30/941030530.db2.gz WYHWCPFBRGBDKL-DGADGQDISA-N 2 0 280.412 1.467 20 30 CDEDRP N#Cc1c[nH]c2cc(NC(=O)[C@H]([NH3+])Cc3cnc[nH]3)ccc12 ZINC001219044556 941302149 /nfs/dbraw/zinc/30/21/49/941302149.db2.gz DYZVBIWTPFKKFT-CYBMUJFWSA-N 2 0 294.318 1.271 20 30 CDEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccc(F)c(CC#N)c1 ZINC001219518191 941351678 /nfs/dbraw/zinc/35/16/78/941351678.db2.gz AXDYXGFLSMBTQD-AWEZNQCLSA-N 2 0 292.358 1.547 20 30 CDEDRP C=C1CC=C(F)C=C1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220796720 941473189 /nfs/dbraw/zinc/47/31/89/941473189.db2.gz AZVDMCAJPNGZMQ-CYBMUJFWSA-N 2 0 291.370 1.674 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001221969089 941556575 /nfs/dbraw/zinc/55/65/75/941556575.db2.gz QAUJRJLAGGXHQL-HZPDHXFCSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001223494898 941682059 /nfs/dbraw/zinc/68/20/59/941682059.db2.gz FIWJGDILSPDDBO-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001281956526 942637687 /nfs/dbraw/zinc/63/76/87/942637687.db2.gz FZFLXPIJWPQEJF-CABCVRRESA-N 2 0 281.444 1.826 20 30 CDEDRP C=CCC[NH2+]C1CC(N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001284790218 943261074 /nfs/dbraw/zinc/26/10/74/943261074.db2.gz NUYOCBVJBNIGAD-RUXDESIVSA-N 2 0 267.417 1.482 20 30 CDEDRP C#CC[NH2+]CC(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC001263097085 943743056 /nfs/dbraw/zinc/74/30/56/943743056.db2.gz MGDBBNNNYLAILO-UHFFFAOYSA-N 2 0 287.407 1.366 20 30 CDEDRP C=CCOCc1ncn2c1C[N@H+](CCCC[NH3+])CCC2 ZINC001235484533 944170597 /nfs/dbraw/zinc/17/05/97/944170597.db2.gz CURUHZWMVFAOJT-UHFFFAOYSA-N 2 0 278.400 1.530 20 30 CDEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001235512921 944181536 /nfs/dbraw/zinc/18/15/36/944181536.db2.gz LWORUANNLHQCHM-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP N#Cc1cc(-c2ccc(C[NH3+])nc2)cc(C2C[NH2+]C2)c1 ZINC001240351283 945801010 /nfs/dbraw/zinc/80/10/10/945801010.db2.gz OXDWJYLFMLMEGN-UHFFFAOYSA-N 2 0 264.332 1.766 20 30 CDEDRP CC[C@@H](CC#N)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001255178476 947768849 /nfs/dbraw/zinc/76/88/49/947768849.db2.gz GWONZDNSMGTCFN-INIZCTEOSA-N 2 0 278.444 1.638 20 30 CDEDRP CC1(C#N)CCC([N@@H+]2CCC[C@](O)(C[NH3+])CC2)CC1 ZINC001246547414 948254284 /nfs/dbraw/zinc/25/42/84/948254284.db2.gz CWAPINIOVXZSAA-YMAMQOFZSA-N 2 0 265.401 1.635 20 30 CDEDRP N#CC1CCC([N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001246617594 948349256 /nfs/dbraw/zinc/34/92/56/948349256.db2.gz HNYOUGHYRBCWDZ-WUCCLRPBSA-N 2 0 262.401 1.095 20 30 CDEDRP N#Cc1ccc(C[NH2+]C2CCC([NH+]3CCOCC3)CC2)o1 ZINC001256681165 948393302 /nfs/dbraw/zinc/39/33/02/948393302.db2.gz MMQVIIWYBXYQKZ-UHFFFAOYSA-N 2 0 289.379 1.884 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001252492315 951362527 /nfs/dbraw/zinc/36/25/27/951362527.db2.gz XMZCMXQADPWYSO-MRXNPFEDSA-N 2 0 291.395 1.204 20 30 CDEDRP C=CCC[C@@H](O)C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001252599126 951494267 /nfs/dbraw/zinc/49/42/67/951494267.db2.gz XOUPEQQMWBYCMC-OWCLPIDISA-N 2 0 281.444 1.024 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001366469577 956855746 /nfs/dbraw/zinc/85/57/46/956855746.db2.gz GQBUMGICFANPBQ-LBPRGKRZSA-N 2 0 287.835 1.708 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC001340351157 962904456 /nfs/dbraw/zinc/90/44/56/962904456.db2.gz NHMCEYCKFKSOOL-KGLIPLIRSA-N 2 0 267.417 1.613 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001421005657 963410799 /nfs/dbraw/zinc/41/07/99/963410799.db2.gz MGGBLWGMMSDLSI-CYBMUJFWSA-N 2 0 299.846 1.852 20 30 CDEDRP C#CC[NH+]1CCC(OC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001344372903 964288679 /nfs/dbraw/zinc/28/86/79/964288679.db2.gz GIMMLYGCKAAQLP-CQSZACIVSA-N 2 0 266.385 1.213 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC001353495983 968019968 /nfs/dbraw/zinc/01/99/68/968019968.db2.gz QOLBWSOXQLSUFD-KGLIPLIRSA-N 2 0 267.417 1.470 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001569552566 1169920606 /nfs/dbraw/zinc/92/06/06/1169920606.db2.gz HDRHJPOHWRHIQE-CYBMUJFWSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCCO1 ZINC001200794760 968920894 /nfs/dbraw/zinc/92/08/94/968920894.db2.gz FJNWTFXLQBZPGQ-LSDHHAIUSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001521482419 970302923 /nfs/dbraw/zinc/30/29/23/970302923.db2.gz MFZUYSKJMKKCMF-MELADBBJSA-N 2 0 267.417 1.659 20 30 CDEDRP C=C(Cl)CN(C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001401374557 975626000 /nfs/dbraw/zinc/62/60/00/975626000.db2.gz ANFNMBUZMWUYCP-CYBMUJFWSA-N 2 0 287.835 1.613 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001379562561 975925954 /nfs/dbraw/zinc/92/59/54/975925954.db2.gz QMYBFGXIXULRLV-ZDUSSCGKSA-N 2 0 287.835 1.565 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001401869788 975961021 /nfs/dbraw/zinc/96/10/21/975961021.db2.gz MLYAZTCVBQDYAG-OLZOCXBDSA-N 2 0 287.835 1.564 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCC1 ZINC001407785559 976770169 /nfs/dbraw/zinc/77/01/69/976770169.db2.gz NSQSPQZCEGEXMT-GFCCVEGCSA-N 2 0 287.835 1.708 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001392931579 977655042 /nfs/dbraw/zinc/65/50/42/977655042.db2.gz AFNKZPNBEVTFJC-LLVKDONJSA-N 2 0 285.819 1.319 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132931812 1163511860 /nfs/dbraw/zinc/51/18/60/1163511860.db2.gz DLTXPPVCCKCBJA-CABCVRRESA-N 2 0 295.471 1.977 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001133274443 1163621965 /nfs/dbraw/zinc/62/19/65/1163621965.db2.gz IDXHETBSKKVWHU-JKSUJKDBSA-N 2 0 293.455 1.426 20 30 CDEDRP COc1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)ccc1C#N ZINC000591281887 342624258 /nfs/dbraw/zinc/62/42/58/342624258.db2.gz RRIUAOWNNVAINB-HNNXBMFYSA-N 2 0 271.364 1.799 20 30 CDEDRP C[C@@H]1[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC[N@@H+]1C ZINC000592752753 342721910 /nfs/dbraw/zinc/72/19/10/342721910.db2.gz GRPQCIJYZABDMI-ZIAGYGMSSA-N 2 0 280.416 1.021 20 30 CDEDRP N#Cc1sccc1N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000595901832 343187065 /nfs/dbraw/zinc/18/70/65/343187065.db2.gz ADSDBQHMNCSNOI-CYBMUJFWSA-N 2 0 290.436 1.741 20 30 CDEDRP C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1=CC[N@H+](C)CC1 ZINC000598724034 343885280 /nfs/dbraw/zinc/88/52/80/343885280.db2.gz LGXYCVBHLWBYEJ-OCCSQVGLSA-N 2 0 265.401 1.527 20 30 CDEDRP CC(C)(C#N)C[C@H](O)C[NH2+]CCC[NH+]1CCCC1 ZINC000598704897 343877370 /nfs/dbraw/zinc/87/73/70/343877370.db2.gz WDUKCJJSBQBWBB-ZDUSSCGKSA-N 2 0 253.390 1.363 20 30 CDEDRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598722611 343884387 /nfs/dbraw/zinc/88/43/87/343884387.db2.gz BXGBIRSXFCNAFJ-LSDHHAIUSA-N 2 0 281.444 1.855 20 30 CDEDRP N#CCC1(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000602764751 344584860 /nfs/dbraw/zinc/58/48/60/344584860.db2.gz IMBQNLDRWVCZHE-UHFFFAOYSA-N 2 0 277.412 1.724 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000237485991 346634926 /nfs/dbraw/zinc/63/49/26/346634926.db2.gz OQLFXQAWOTUTLV-OAHLLOKOSA-N 2 0 265.401 1.143 20 30 CDEDRP CN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000619672021 347722901 /nfs/dbraw/zinc/72/29/01/347722901.db2.gz NJMOOYCQWLHGPH-HUUCEWRRSA-N 2 0 264.417 1.296 20 30 CDEDRP N#Cc1cnn2cc(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cnc12 ZINC000603894034 350326286 /nfs/dbraw/zinc/32/62/86/350326286.db2.gz GHDBVBNGKKOUAY-CABCVRRESA-N 2 0 296.378 1.317 20 30 CDEDRP CC[NH+](CC)CCCNC(NCc1ccco1)=[NH+]C ZINC000264060558 362953531 /nfs/dbraw/zinc/95/35/31/362953531.db2.gz PJVLCNDWCCOCJA-UHFFFAOYSA-N 2 0 266.389 1.677 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCCCC[NH+]1CCC(C)CC1 ZINC000072272483 356717973 /nfs/dbraw/zinc/71/79/73/356717973.db2.gz QTGOCGMCGPDZLD-AWEZNQCLSA-N 2 0 284.448 1.438 20 30 CDEDRP N#Cc1ccc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000135690881 359911635 /nfs/dbraw/zinc/91/16/35/359911635.db2.gz LMMLZMKCKPHBHR-VXGBXAGGSA-N 2 0 277.393 1.573 20 30 CDEDRP C[C@@H]1C[NH+]=C(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)N1 ZINC000262629345 360755023 /nfs/dbraw/zinc/75/50/23/360755023.db2.gz FIOYPSOUXVCUDN-UKRRQHHQSA-N 2 0 272.396 1.588 20 30 CDEDRP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000361465283 368833455 /nfs/dbraw/zinc/83/34/55/368833455.db2.gz VFYRASYJIYDNTP-MGPQQGTHSA-N 2 0 251.374 1.115 20 30 CDEDRP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[NH+](C)C ZINC000171401999 376570984 /nfs/dbraw/zinc/57/09/84/376570984.db2.gz KYXBKYQHJKZRES-UHFFFAOYSA-N 2 0 288.395 1.010 20 30 CDEDRP Cn1cc(C[NH2+]CCC2CC[NH+](C)CC2)cc1C#N ZINC000189598795 377336253 /nfs/dbraw/zinc/33/62/53/377336253.db2.gz LWCLDQCATPBIGS-UHFFFAOYSA-N 2 0 260.385 1.718 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000417518289 377791010 /nfs/dbraw/zinc/79/10/10/377791010.db2.gz BCLBPINBANOYHO-DZGCQCFKSA-N 2 0 294.443 1.467 20 30 CDEDRP CN(C)C(=[NH2+])NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000178575133 391187944 /nfs/dbraw/zinc/18/79/44/391187944.db2.gz PCKTUNZYFVUNHY-UHFFFAOYSA-N 2 0 252.337 1.264 20 30 CDEDRP CC#CCC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375846487 391201077 /nfs/dbraw/zinc/20/10/77/391201077.db2.gz FAKJABPESATIME-MRXNPFEDSA-N 2 0 263.429 1.500 20 30 CDEDRP CC[NH+](CC)Cc1ccc(CNC2=[NH+]C[C@@H](C)N2)cc1 ZINC000262688643 391813412 /nfs/dbraw/zinc/81/34/12/391813412.db2.gz ZLQDFXASECQIMK-CYBMUJFWSA-N 2 0 274.412 1.966 20 30 CDEDRP C=CCCCC[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000649286236 393321469 /nfs/dbraw/zinc/32/14/69/393321469.db2.gz ISNQVKSBPNMSMH-UHFFFAOYSA-N 2 0 281.444 1.829 20 30 CDEDRP C=CC[C@]1(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000662887517 413657654 /nfs/dbraw/zinc/65/76/54/413657654.db2.gz ZFEBIAGOERFUGH-DOTOQJQBSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CCN(C)CCC[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000308337962 260287189 /nfs/dbraw/zinc/28/71/89/260287189.db2.gz FKTPIZYVUAIGKE-KGLIPLIRSA-N 2 0 250.386 1.489 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)C[NH+](CC)CC)CC1 ZINC000106034103 261320425 /nfs/dbraw/zinc/32/04/25/261320425.db2.gz QWDLWZKLLUTUGJ-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP COc1ccc(NC(=[NH2+])NC[C@@H](C)C[NH+](C)C)cc1OC ZINC000291910309 263126422 /nfs/dbraw/zinc/12/64/22/263126422.db2.gz LZZOYCWETBDRPB-LLVKDONJSA-N 2 0 294.399 1.628 20 30 CDEDRP CN1CC[NH+]=C1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000262201827 330003885 /nfs/dbraw/zinc/00/38/85/330003885.db2.gz AWHGVXDCMGDKKD-UHFFFAOYSA-N 2 0 278.444 1.924 20 30 CDEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCCC1 ZINC000262301227 330005066 /nfs/dbraw/zinc/00/50/66/330005066.db2.gz BMZRKSVLUHJNTH-UHFFFAOYSA-N 2 0 294.443 1.303 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[C@@H](C)C1 ZINC000262486499 330016955 /nfs/dbraw/zinc/01/69/55/330016955.db2.gz SRZFQZDUAVSFQW-MGPQQGTHSA-N 2 0 266.433 1.811 20 30 CDEDRP CN(C)C(=[NH+]CC1([NH+](C)C)CCCCC1)N(C)C ZINC000263259012 330050845 /nfs/dbraw/zinc/05/08/45/330050845.db2.gz RYLPRLGZKDCHAR-UHFFFAOYSA-N 2 0 254.422 1.730 20 30 CDEDRP C=CCN1CCC([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422857960 330157900 /nfs/dbraw/zinc/15/79/00/330157900.db2.gz HUWMJQXIQMDZGK-UKRRQHHQSA-N 2 0 251.418 1.615 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422983119 330162703 /nfs/dbraw/zinc/16/27/03/330162703.db2.gz YNQAGVAFNMDBLH-XYPWUTKMSA-N 2 0 263.429 1.900 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423382187 330199451 /nfs/dbraw/zinc/19/94/51/330199451.db2.gz OCCNYUQQCXLWHT-OCCSQVGLSA-N 2 0 265.401 1.141 20 30 CDEDRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442780794 330782504 /nfs/dbraw/zinc/78/25/04/330782504.db2.gz GRXRAJGOEBPCCN-KGLIPLIRSA-N 2 0 264.417 1.294 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000490657645 332101033 /nfs/dbraw/zinc/10/10/33/332101033.db2.gz YAOXQZDAKNFJFJ-HNNXBMFYSA-N 2 0 291.439 1.132 20 30 CDEDRP C#CCN1CCN(C(=O)C[N@H+](C2CC2)C2CCCC2)CC1 ZINC000490780271 332115237 /nfs/dbraw/zinc/11/52/37/332115237.db2.gz IUHOQOSCSPUGNV-UHFFFAOYSA-N 2 0 289.423 1.171 20 30 CDEDRP C#CC[NH+](C)CCCN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000491164672 332158767 /nfs/dbraw/zinc/15/87/67/332158767.db2.gz DIPMZHPGBWSAOO-LSDHHAIUSA-N 2 0 251.418 1.261 20 30 CDEDRP C#CCN(C)CCC[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000380867828 336037771 /nfs/dbraw/zinc/03/77/71/336037771.db2.gz XRETXFWPLKQYMH-HNNXBMFYSA-N 2 0 282.334 1.543 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001755025210 1159504797 /nfs/dbraw/zinc/50/47/97/1159504797.db2.gz QESULWXAXSCAHO-HUUCEWRRSA-N 2 0 297.418 1.270 20 30 CDEDRP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000985656919 1160371100 /nfs/dbraw/zinc/37/11/00/1160371100.db2.gz ZVYAYLKRWOSLEX-GDBMZVCRSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C1([NH+](C)C)CC1)C(C)C ZINC000668683164 482501991 /nfs/dbraw/zinc/50/19/91/482501991.db2.gz SMQZROIYZSOALM-OAHLLOKOSA-N 2 0 293.455 1.895 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001084964826 1161919961 /nfs/dbraw/zinc/91/99/61/1161919961.db2.gz UCWDHKXFIKEMDR-PMPSAXMXSA-N 2 0 293.455 1.681 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001754348514 1185591445 /nfs/dbraw/zinc/59/14/45/1185591445.db2.gz JWASUGNHZGQVNL-LSDHHAIUSA-N 2 0 279.428 1.226 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH+](C)C)C(C)C)CC1 ZINC000733164268 575102597 /nfs/dbraw/zinc/10/25/97/575102597.db2.gz NZOZPERAXMOBLL-HNNXBMFYSA-N 2 0 279.428 1.034 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000764511299 575917592 /nfs/dbraw/zinc/91/75/92/575917592.db2.gz ZQSQHGXOMHRUNL-UHFFFAOYSA-N 2 0 253.390 1.095 20 30 CDEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)Cc2cnc[nH]2)CC1 ZINC000982033650 613252887 /nfs/dbraw/zinc/25/28/87/613252887.db2.gz RGVMIURSCWMPSU-UHFFFAOYSA-N 2 0 276.384 1.453 20 30 CDEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000980484334 613284491 /nfs/dbraw/zinc/28/44/91/613284491.db2.gz YLKWHWOKTVLSEA-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000981311506 613347632 /nfs/dbraw/zinc/34/76/32/613347632.db2.gz NDSCLDCLXAOULX-CVEARBPZSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000968922331 613348238 /nfs/dbraw/zinc/34/82/38/613348238.db2.gz XQCILPQFKPGCLW-CYBMUJFWSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000969985606 613348731 /nfs/dbraw/zinc/34/87/31/613348731.db2.gz JODPGZBIRNOZAJ-OLZOCXBDSA-N 2 0 253.390 1.093 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000939246923 613349976 /nfs/dbraw/zinc/34/99/76/613349976.db2.gz LVLNLHANQVUPJZ-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000969800159 613384447 /nfs/dbraw/zinc/38/44/47/613384447.db2.gz KZVYSHGKNLSJAH-CYBMUJFWSA-N 2 0 285.819 1.271 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000972734366 613613424 /nfs/dbraw/zinc/61/34/24/613613424.db2.gz XPYYUTBFUYWQGU-ZIAGYGMSSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000971560784 613616033 /nfs/dbraw/zinc/61/60/33/613616033.db2.gz LAUCZLNGWYUHPY-MGPQQGTHSA-N 2 0 265.401 1.045 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000972330842 613628138 /nfs/dbraw/zinc/62/81/38/613628138.db2.gz IBULEJCKVYUPEV-KGLIPLIRSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000947853746 613781765 /nfs/dbraw/zinc/78/17/65/613781765.db2.gz VYQFQFGCQXCQCB-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000961960451 613838750 /nfs/dbraw/zinc/83/87/50/613838750.db2.gz OWUZSMLEINRWSM-WCVJEAGWSA-N 2 0 291.439 1.483 20 30 CDEDRP CCOCCCNC(=[NH2+])NCCC[N@H+](C)C1CCCCC1 ZINC000104168564 617483621 /nfs/dbraw/zinc/48/36/21/617483621.db2.gz QIQUBAGBTILBMV-UHFFFAOYSA-N 2 0 298.475 1.972 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000911872564 629574653 /nfs/dbraw/zinc/57/46/53/629574653.db2.gz ZBAJBSZIJOJLIR-OLZOCXBDSA-N 2 0 255.406 1.502 20 30 CDEDRP COCC[NH+]=C(NC[C@H]1CC[N@@H+](C(C)C)C1)NC(C)(C)C ZINC000912510062 630049597 /nfs/dbraw/zinc/04/95/97/630049597.db2.gz YMRMJZDIVCJRCQ-CQSZACIVSA-N 2 0 298.475 1.697 20 30 CDEDRP C[C@H]1[C@H]([NH3+])CCCN1c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001157731914 1162359965 /nfs/dbraw/zinc/35/99/65/1162359965.db2.gz GLZFKZWCTPJTKB-XHDPSFHLSA-N 2 0 285.395 1.305 20 30 CDEDRP C=CCOCC[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129422326 1162472281 /nfs/dbraw/zinc/47/22/81/1162472281.db2.gz HKHXTBCRQOSLBI-HNNXBMFYSA-N 2 0 297.443 1.158 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001754610683 1159395581 /nfs/dbraw/zinc/39/55/81/1159395581.db2.gz KCFGZCFLVWQYIH-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131786394 1163052480 /nfs/dbraw/zinc/05/24/80/1163052480.db2.gz PZXGJZHBBDGDQU-ZDUSSCGKSA-N 2 0 285.819 1.319 20 30 CDEDRP C#Cc1ccc(CN(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000809741733 1163081192 /nfs/dbraw/zinc/08/11/92/1163081192.db2.gz UUMZSDMNHCMTIX-UHFFFAOYSA-N 2 0 273.424 1.593 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214611266 1164306584 /nfs/dbraw/zinc/30/65/84/1164306584.db2.gz XDSWEQUOCUVHEO-BZUAXINKSA-N 2 0 293.455 1.872 20 30 CDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000876766681 1165910807 /nfs/dbraw/zinc/91/08/07/1165910807.db2.gz PWDCQXHHGKEXEN-CHWSQXEVSA-N 2 0 287.835 1.837 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001014941084 1166930371 /nfs/dbraw/zinc/93/03/71/1166930371.db2.gz NDRGYIYAYZHDGB-CYBMUJFWSA-N 2 0 284.363 1.943 20 30 CDEDRP C#CCN(C[C@H]1CCCC[C@@H]1C(=O)OC)C1CC[NH2+]CC1 ZINC001574667128 1170999304 /nfs/dbraw/zinc/99/93/04/1170999304.db2.gz MVTPEDMQZDHKCV-ZBFHGGJFSA-N 2 0 292.423 1.653 20 30 CDEDRP C=C[C@H](C(=O)OC)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001574870980 1171031026 /nfs/dbraw/zinc/03/10/26/1171031026.db2.gz OMDBWSQSQHQFPI-UONOGXRCSA-N 2 0 266.385 1.426 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCC)C2)CC1 ZINC001713151737 1178397096 /nfs/dbraw/zinc/39/70/96/1178397096.db2.gz FIMSYSJINCSAGQ-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001713220269 1178439806 /nfs/dbraw/zinc/43/98/06/1178439806.db2.gz IBBWCOYQPIHHKJ-CABCVRRESA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001733768300 1183525535 /nfs/dbraw/zinc/52/55/35/1183525535.db2.gz GTYBAAZQMPDLKL-CYBMUJFWSA-N 2 0 253.390 1.047 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001752788888 1184913519 /nfs/dbraw/zinc/91/35/19/1184913519.db2.gz SWFOWCJKIVFASV-OAHLLOKOSA-N 2 0 281.444 1.733 20 30 CDEDRP C=CCCC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001752854951 1184934544 /nfs/dbraw/zinc/93/45/44/1184934544.db2.gz COKMHXQFDHBSRQ-FHERZECASA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001752956891 1184974888 /nfs/dbraw/zinc/97/48/88/1184974888.db2.gz WECUPRTUTHXNCX-INIZCTEOSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CCC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001753082286 1185048320 /nfs/dbraw/zinc/04/83/20/1185048320.db2.gz FEQAPMKLYUJVJX-HNNXBMFYSA-N 2 0 279.428 1.322 20 30 CDEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001753264024 1185136327 /nfs/dbraw/zinc/13/63/27/1185136327.db2.gz FVIBVRFNYSZQTN-BETUJISGSA-N 2 0 287.835 1.660 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001753281075 1185141364 /nfs/dbraw/zinc/14/13/64/1185141364.db2.gz SITIVSZWLNSXNP-HNNXBMFYSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001753327755 1185157466 /nfs/dbraw/zinc/15/74/66/1185157466.db2.gz HUDRHJIIOUMELE-HOTGVXAUSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001753734666 1185322382 /nfs/dbraw/zinc/32/23/82/1185322382.db2.gz GQKVSGXUPYLOOA-CVEARBPZSA-N 2 0 291.439 1.082 20 30 CDEDRP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001753788390 1185334612 /nfs/dbraw/zinc/33/46/12/1185334612.db2.gz NPNCGXIGPKVUMA-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001753815440 1185342775 /nfs/dbraw/zinc/34/27/75/1185342775.db2.gz NFCUVVABYLCEHX-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001754828797 1185741985 /nfs/dbraw/zinc/74/19/85/1185741985.db2.gz QYTVFMJADCQSTQ-CVEARBPZSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CCC[NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001755510868 1185976904 /nfs/dbraw/zinc/97/69/04/1185976904.db2.gz GJALTFJOOYRJQY-CQSZACIVSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001755587849 1186003464 /nfs/dbraw/zinc/00/34/64/1186003464.db2.gz LXTJJACHFXEGLB-CABCVRRESA-N 2 0 279.428 1.319 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896343 1163954751 /nfs/dbraw/zinc/95/47/51/1163954751.db2.gz JKBMFEAUMJCYGP-AWEZNQCLSA-N 2 0 281.444 1.779 20 30 CDEDRP C=C[C@@](C)(O)C[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001252584190 1164495908 /nfs/dbraw/zinc/49/59/08/1164495908.db2.gz ZKLPRUIOLZZHFG-RBSFLKMASA-N 2 0 268.401 1.156 20 30 CDEDRP N#CC1(C[C@H](O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC001580038293 1167709053 /nfs/dbraw/zinc/70/90/53/1167709053.db2.gz JZCRXBLNAQIZFO-IGQOVBAYSA-N 2 0 263.385 1.100 20 30 CDEDRP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240606 912709314 /nfs/dbraw/zinc/70/93/14/912709314.db2.gz HVQKJBCQSQQSHL-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127253984 913147907 /nfs/dbraw/zinc/14/79/07/913147907.db2.gz BSGGBAICBRHFTJ-ZIAGYGMSSA-N 2 0 265.401 1.143 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127260316 913316411 /nfs/dbraw/zinc/31/64/11/913316411.db2.gz BFGDLKUQNVJEPO-LSDHHAIUSA-N 2 0 279.428 1.533 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001175049847 913441908 /nfs/dbraw/zinc/44/19/08/913441908.db2.gz YBZRQOXTGAAUBP-AWEZNQCLSA-N 2 0 267.417 1.226 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001167237182 894931380 /nfs/dbraw/zinc/93/13/80/894931380.db2.gz WPWCRMKPIQXHJF-GJZGRUSLSA-N 2 0 293.455 1.636 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176057236 913943443 /nfs/dbraw/zinc/94/34/43/913943443.db2.gz NUHVDZQQMKVXSQ-CYBMUJFWSA-N 2 0 253.390 1.000 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176165428 913987131 /nfs/dbraw/zinc/98/71/31/913987131.db2.gz LHGXBWPMNAWUOC-HUUCEWRRSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176164669 913988854 /nfs/dbraw/zinc/98/88/54/913988854.db2.gz CZHXARRFZOQAAN-GJZGRUSLSA-N 2 0 281.444 1.779 20 30 CDEDRP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000262005544 896557535 /nfs/dbraw/zinc/55/75/35/896557535.db2.gz RJZBUEMLNIHJOG-GFCCVEGCSA-N 2 0 254.422 1.810 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167628340 897097748 /nfs/dbraw/zinc/09/77/48/897097748.db2.gz ZKIHCVIBGSMWGQ-OAHLLOKOSA-N 2 0 279.428 1.369 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001019823258 899211837 /nfs/dbraw/zinc/21/18/37/899211837.db2.gz GABONNOAFUJSNQ-HOTGVXAUSA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176890435 914340680 /nfs/dbraw/zinc/34/06/80/914340680.db2.gz TYJIBERIYJLVDQ-UHFFFAOYSA-N 2 0 287.407 1.481 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC2CCC2)CC1 ZINC001176926592 914358061 /nfs/dbraw/zinc/35/80/61/914358061.db2.gz PXMLPCOXXQPBEW-UHFFFAOYSA-N 2 0 291.439 1.228 20 30 CDEDRP CO/N=C/c1cc(NC(=[NH2+])NCCCC[NH3+])cc(F)c1F ZINC001167883841 901644106 /nfs/dbraw/zinc/64/41/06/901644106.db2.gz NJTFSWGNPOSYTK-UFWORHAWSA-N 2 0 299.325 1.620 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127480097 914747748 /nfs/dbraw/zinc/74/77/48/914747748.db2.gz IMTHMMQEDRFDCU-UKRRQHHQSA-N 2 0 279.428 1.389 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106142 906319753 /nfs/dbraw/zinc/31/97/53/906319753.db2.gz OFWJWUREKCRQIF-OAGGEKHMSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001168291024 908915841 /nfs/dbraw/zinc/91/58/41/908915841.db2.gz OANCWTOAYLUSIZ-HUUCEWRRSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001088702104 909135640 /nfs/dbraw/zinc/13/56/40/909135640.db2.gz COMWVKMXFNOUHM-CABCVRRESA-N 2 0 291.439 1.770 20 30 CDEDRP CCOC(=O)CC1([NH3+])CC[NH+]([C@H](C)CCCC#N)CC1 ZINC001172492006 911727727 /nfs/dbraw/zinc/72/77/27/911727727.db2.gz POADWOKYUCYWJP-CYBMUJFWSA-N 2 0 281.400 1.815 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189881735 921699797 /nfs/dbraw/zinc/69/97/97/921699797.db2.gz VHNFSYKOHTUYDM-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001094937569 911846757 /nfs/dbraw/zinc/84/67/57/911846757.db2.gz KVTCHCXIYSEFHJ-DZKIICNBSA-N 2 0 289.423 1.073 20 30 CDEDRP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001483959453 915230193 /nfs/dbraw/zinc/23/01/93/915230193.db2.gz UVFSIRLYHJUNOZ-OAHLLOKOSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001484176052 915489900 /nfs/dbraw/zinc/48/99/00/915489900.db2.gz ZVKJNOXQQGXJRZ-RDJZCZTQSA-N 2 0 295.471 1.977 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001178698700 915588546 /nfs/dbraw/zinc/58/85/46/915588546.db2.gz RGTBNQSQELASCU-HNNXBMFYSA-N 2 0 279.428 1.226 20 30 CDEDRP N#Cc1cccc(-c2noc(C[NH2+]CC3CC[NH2+]CC3)n2)c1 ZINC001212320406 915871308 /nfs/dbraw/zinc/87/13/08/915871308.db2.gz HPJGBEDBSWCJHO-UHFFFAOYSA-N 2 0 297.362 1.697 20 30 CDEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001179553973 915884112 /nfs/dbraw/zinc/88/41/12/915884112.db2.gz IQGSTJRGIYUTTC-KKUMJFAQSA-N 2 0 297.443 1.108 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C[NH+](CC)CC)[C@H]1C ZINC001179744223 915962379 /nfs/dbraw/zinc/96/23/79/915962379.db2.gz ISSKJBHGCKSKRI-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP N#C[C@H]1CC[C@H](NC(=[NH2+])SCCSC(N)=[NH2+])C1 ZINC001254644531 936427017 /nfs/dbraw/zinc/42/70/17/936427017.db2.gz STSLOTFFNVJLAH-YUMQZZPRSA-N 2 0 271.415 1.563 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182623008 917988027 /nfs/dbraw/zinc/98/80/27/917988027.db2.gz BDSMLVBIWDQRBJ-HZPDHXFCSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC001183045071 918271050 /nfs/dbraw/zinc/27/10/50/918271050.db2.gz RYJSDSYMUUSEKL-UHFFFAOYSA-N 2 0 273.380 1.997 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N(C(N)=[NH2+])c1ccccc1F ZINC001183080767 918274964 /nfs/dbraw/zinc/27/49/64/918274964.db2.gz YFRFOYYPHRLNRW-UHFFFAOYSA-N 2 0 290.342 1.704 20 30 CDEDRP CCc1cc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)ccc1C#N ZINC001205255751 918304179 /nfs/dbraw/zinc/30/41/79/918304179.db2.gz KNALCZNJLCGPPP-QGZVFWFLSA-N 2 0 287.407 1.796 20 30 CDEDRP C=CCCCC[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273495360 919348609 /nfs/dbraw/zinc/34/86/09/919348609.db2.gz UWLXEUFDOBXHJL-QGZVFWFLSA-N 2 0 293.455 1.971 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001185030291 919390113 /nfs/dbraw/zinc/39/01/13/919390113.db2.gz KPEBKLVZUCZWSG-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185248257 919498802 /nfs/dbraw/zinc/49/88/02/919498802.db2.gz AKGOJFYLWOPERL-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001185550626 919650320 /nfs/dbraw/zinc/65/03/20/919650320.db2.gz WCXFPORGYAXWGE-CVEARBPZSA-N 2 0 293.455 1.426 20 30 CDEDRP C#CCN1CC[C@]2(CCC[N@H+]2CC2CC[NH+](C)CC2)C1=O ZINC001272887496 919973277 /nfs/dbraw/zinc/97/32/77/919973277.db2.gz FXIMMTIKWMCVGQ-QGZVFWFLSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001186427358 920026409 /nfs/dbraw/zinc/02/64/09/920026409.db2.gz FHCDKSAVOMVPCP-HZPDHXFCSA-N 2 0 293.455 1.567 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001168666469 920091597 /nfs/dbraw/zinc/09/15/97/920091597.db2.gz HEXWOFMTXYLKBZ-HNNXBMFYSA-N 2 0 281.444 1.472 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186824751 920187881 /nfs/dbraw/zinc/18/78/81/920187881.db2.gz KFJYPQSQETZVEK-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190442859 921998280 /nfs/dbraw/zinc/99/82/80/921998280.db2.gz BWUMEUUFNZKZLJ-CABCVRRESA-N 2 0 299.434 1.775 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190654646 922124407 /nfs/dbraw/zinc/12/44/07/922124407.db2.gz KRXKPIQSNMZZEP-CVEARBPZSA-N 2 0 293.455 1.826 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001192318123 923004236 /nfs/dbraw/zinc/00/42/36/923004236.db2.gz WJKQRMYSOGFLLV-CABCVRRESA-N 2 0 279.428 1.273 20 30 CDEDRP C=CCCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001192342671 923014556 /nfs/dbraw/zinc/01/45/56/923014556.db2.gz JOLQAHLRNDXYPV-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193560535 923799043 /nfs/dbraw/zinc/79/90/43/923799043.db2.gz TYRYOPSCWLMILM-OAHLLOKOSA-N 2 0 279.428 1.274 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002340 924011640 /nfs/dbraw/zinc/01/16/40/924011640.db2.gz RHFNXEJYZHJWLN-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194011298 924013028 /nfs/dbraw/zinc/01/30/28/924013028.db2.gz RGWULAQZHKQBJX-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194227725 924124692 /nfs/dbraw/zinc/12/46/92/924124692.db2.gz MJRVWPSMPSZIMN-INIZCTEOSA-N 2 0 291.439 1.418 20 30 CDEDRP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001079732730 924416630 /nfs/dbraw/zinc/41/66/30/924416630.db2.gz RDVRJDUSQKQXRB-QKPAOTATSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001082522063 924953346 /nfs/dbraw/zinc/95/33/46/924953346.db2.gz PSJMYFJUBPGVSZ-LXTVHRRPSA-N 2 0 279.428 1.339 20 30 CDEDRP C#CCN1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001197133720 925050709 /nfs/dbraw/zinc/05/07/09/925050709.db2.gz DJHZYRZJODPHNW-HNNXBMFYSA-N 2 0 279.428 1.274 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001084354809 925238866 /nfs/dbraw/zinc/23/88/66/925238866.db2.gz WIKDMVJLIWPIJV-KLHDSHLOSA-N 2 0 291.439 1.435 20 30 CDEDRP C=C(Cl)CN(CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001152386097 925315449 /nfs/dbraw/zinc/31/54/49/925315449.db2.gz ACFDEUQEAWNYRK-OLZOCXBDSA-N 2 0 287.835 1.660 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001084660530 925336929 /nfs/dbraw/zinc/33/69/29/925336929.db2.gz KDYOTRMGVMQOLW-BZUAXINKSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815370 937015849 /nfs/dbraw/zinc/01/58/49/937015849.db2.gz DEHHOYLGAQMKDQ-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102601234 937067729 /nfs/dbraw/zinc/06/77/29/937067729.db2.gz SCCFMZIDTCGRJF-HUUCEWRRSA-N 2 0 281.444 1.587 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202218087 926497046 /nfs/dbraw/zinc/49/70/46/926497046.db2.gz ZDVCSEASUHZHDF-UHFFFAOYSA-N 2 0 287.835 1.661 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202239279 926512273 /nfs/dbraw/zinc/51/22/73/926512273.db2.gz VDZUVWKAKIMCDT-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202316154 926532325 /nfs/dbraw/zinc/53/23/25/926532325.db2.gz OFWGGANKIIHOFN-UHFFFAOYSA-N 2 0 273.808 1.271 20 30 CDEDRP C#CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001085986870 926566309 /nfs/dbraw/zinc/56/63/09/926566309.db2.gz OOYIRDLVTRQWCG-LSDHHAIUSA-N 2 0 277.412 1.027 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001086177384 926792535 /nfs/dbraw/zinc/79/25/35/926792535.db2.gz RIMJJMVDADYSEC-YHUYYLMFSA-N 2 0 293.455 1.777 20 30 CDEDRP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001103138722 937124185 /nfs/dbraw/zinc/12/41/85/937124185.db2.gz ZKLYCCFZSMLRTE-RBSFLKMASA-N 2 0 279.428 1.034 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001086324657 926992093 /nfs/dbraw/zinc/99/20/93/926992093.db2.gz HYSMIYJKVHHKBV-MGPQQGTHSA-N 2 0 265.401 1.141 20 30 CDEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103999938 937184386 /nfs/dbraw/zinc/18/43/86/937184386.db2.gz PRTUPNUUCQLMQA-BZUAXINKSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCOCC[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169126624 927741371 /nfs/dbraw/zinc/74/13/71/927741371.db2.gz BQGRRBWNTAITRA-UHFFFAOYSA-N 2 0 297.443 1.017 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](C)C)C2 ZINC001108750054 928628333 /nfs/dbraw/zinc/62/83/33/928628333.db2.gz TYXGNJWIJCUZGR-XHSDSOJGSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115290163 937344430 /nfs/dbraw/zinc/34/44/30/937344430.db2.gz OJFJRYLBXNGNCM-FOLVSLTJSA-N 2 0 277.412 1.095 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152224666 937345902 /nfs/dbraw/zinc/34/59/02/937345902.db2.gz ZUHRPXQQBKCGKW-UHFFFAOYSA-N 2 0 267.417 1.534 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134729952 929866083 /nfs/dbraw/zinc/86/60/83/929866083.db2.gz QOXSMQKAFIUBLT-GJZGRUSLSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135391354 930182002 /nfs/dbraw/zinc/18/20/02/930182002.db2.gz RWJKHSKWIQGTSK-QWHCGFSZSA-N 2 0 267.417 1.387 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCCCC1 ZINC001115598150 937398669 /nfs/dbraw/zinc/39/86/69/937398669.db2.gz IZXMNKIYYGZHJU-HNNXBMFYSA-N 2 0 291.439 1.513 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)C[NH+](CC)CC)CCCCC1 ZINC001115777143 937419357 /nfs/dbraw/zinc/41/93/57/937419357.db2.gz CLILNNDGQYGTCZ-UHFFFAOYSA-N 2 0 279.428 1.370 20 30 CDEDRP NC(=O)c1ccc(C(=[NH2+])Nc2ccccc2CC[NH3+])cc1 ZINC001171258487 932170569 /nfs/dbraw/zinc/17/05/69/932170569.db2.gz APKFDNKJEAFNPO-UHFFFAOYSA-N 2 0 282.347 1.324 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146610369 932271548 /nfs/dbraw/zinc/27/15/48/932271548.db2.gz ISXZNVHLMLMCSB-HUUCEWRRSA-N 2 0 279.428 1.369 20 30 CDEDRP C#CCCCNc1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001155018071 937621756 /nfs/dbraw/zinc/62/17/56/937621756.db2.gz OLYAIKNHLOOXTH-UHFFFAOYSA-N 2 0 258.369 1.834 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001091737696 932764460 /nfs/dbraw/zinc/76/44/60/932764460.db2.gz HRYOJGDWECFWOD-VYDXJSESSA-N 2 0 291.439 1.293 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC)C2)CC1 ZINC001086882445 932836923 /nfs/dbraw/zinc/83/69/23/932836923.db2.gz QRQAZXUHHHPRFN-GOEBONIOSA-N 2 0 291.439 1.226 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086873584 932836998 /nfs/dbraw/zinc/83/69/98/932836998.db2.gz OZHSSBBYYLSHRC-MELADBBJSA-N 2 0 299.846 1.565 20 30 CDEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C1CCC(C)(C#N)CC1 ZINC001413121915 935913059 /nfs/dbraw/zinc/91/30/59/935913059.db2.gz MREFXYDSQSAMKZ-QQFBHYJXSA-N 2 0 278.444 1.684 20 30 CDEDRP C=CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001049647997 936166639 /nfs/dbraw/zinc/16/66/39/936166639.db2.gz RMZGILKKIHRETE-OWCLPIDISA-N 2 0 291.439 1.722 20 30 CDEDRP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049699329 936173021 /nfs/dbraw/zinc/17/30/21/936173021.db2.gz YUZPDVZHEUYCNI-ARFHVFGLSA-N 2 0 291.439 1.271 20 30 CDEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001122242566 937914919 /nfs/dbraw/zinc/91/49/19/937914919.db2.gz JNKBXASRULQCPG-UHFFFAOYSA-N 2 0 291.439 1.367 20 30 CDEDRP C[C@@H]1[C@@H]([NH3+])CCCN1c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001157731911 938537365 /nfs/dbraw/zinc/53/73/65/938537365.db2.gz GLZFKZWCTPJTKB-ABAIWWIYSA-N 2 0 285.395 1.305 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001158079780 938580964 /nfs/dbraw/zinc/58/09/64/938580964.db2.gz QLQBHMQYUHSZRX-UHFFFAOYSA-N 2 0 279.428 1.370 20 30 CDEDRP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001158473941 938628398 /nfs/dbraw/zinc/62/83/98/938628398.db2.gz QUFLMINQVPCJEW-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP N#Cc1c2c(cnc1-n1ccc(C[NH3+])c1)C[NH2+]CCC2 ZINC001158760244 938660214 /nfs/dbraw/zinc/66/02/14/938660214.db2.gz MOKQGWUQGWZZOP-UHFFFAOYSA-N 2 0 267.336 1.238 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159853476 938757345 /nfs/dbraw/zinc/75/73/45/938757345.db2.gz FPYVVRYYJPRSSO-AWEZNQCLSA-N 2 0 281.444 1.921 20 30 CDEDRP CC#CC[N@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161036779 938860476 /nfs/dbraw/zinc/86/04/76/938860476.db2.gz NZINIARGKHMUDM-UHFFFAOYSA-N 2 0 291.439 1.490 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001161644782 938916998 /nfs/dbraw/zinc/91/69/98/938916998.db2.gz SCWHZIVZUSFKBB-OAHLLOKOSA-N 2 0 281.444 1.779 20 30 CDEDRP C[Si](C)(C)C#C[NH2+]CC[C@@H]1CCOC12C[NH2+]C2 ZINC001163088773 939196482 /nfs/dbraw/zinc/19/64/82/939196482.db2.gz GYYPGKIRWNBMLY-GFCCVEGCSA-N 2 0 252.434 1.183 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163232017 939229822 /nfs/dbraw/zinc/22/98/22/939229822.db2.gz LZPCCKAUEWLRNY-OAHLLOKOSA-N 2 0 279.428 1.533 20 30 CDEDRP C=CC(N[C@H]1CCCC[C@@]12C[NH2+]CCO2)=[NH+]COC ZINC001163645518 939296800 /nfs/dbraw/zinc/29/68/00/939296800.db2.gz XFRBOUQJDGKPBZ-GXTWGEPZSA-N 2 0 267.373 1.066 20 30 CDEDRP N#Cc1ccccc1C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205210507 939835529 /nfs/dbraw/zinc/83/55/29/939835529.db2.gz PCXTWEYCZROEFD-OAHLLOKOSA-N 2 0 259.353 1.234 20 30 CDEDRP COc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c(C#N)c1 ZINC001205221881 939838315 /nfs/dbraw/zinc/83/83/15/939838315.db2.gz XQANVQNUTWLNID-INIZCTEOSA-N 2 0 289.379 1.243 20 30 CDEDRP C=CCN(CC[N@@H+]1CCC[C@](C)([NH3+])CC1)C(=O)OCC ZINC001205256111 939843535 /nfs/dbraw/zinc/84/35/35/939843535.db2.gz NGRBJHPXBSQARW-HNNXBMFYSA-N 2 0 283.416 1.834 20 30 CDEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001206152727 939987884 /nfs/dbraw/zinc/98/78/84/939987884.db2.gz NUBZCLVGEWKEPG-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001206281187 940011160 /nfs/dbraw/zinc/01/11/60/940011160.db2.gz DRXOJPXHTVNTEE-HOCLYGCPSA-N 2 0 291.439 1.036 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001206871654 940105107 /nfs/dbraw/zinc/10/51/07/940105107.db2.gz UOLUVQKJLBDVSU-MRXNPFEDSA-N 2 0 291.439 1.180 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563433 940216182 /nfs/dbraw/zinc/21/61/82/940216182.db2.gz UWJQMIZGYZFWRX-UKRRQHHQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207653052 940226906 /nfs/dbraw/zinc/22/69/06/940226906.db2.gz VQTPBEOCRIESJT-OAGGEKHMSA-N 2 0 295.471 1.975 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001208073157 940282730 /nfs/dbraw/zinc/28/27/30/940282730.db2.gz DIOBDCXXQYTUGO-HRCADAONSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001208414069 940329160 /nfs/dbraw/zinc/32/91/60/940329160.db2.gz HGRZFCUVQYMNEG-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208677204 940368736 /nfs/dbraw/zinc/36/87/36/940368736.db2.gz XMHWUUPEMRGBDZ-HUUCEWRRSA-N 2 0 293.455 1.424 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211073111 940727975 /nfs/dbraw/zinc/72/79/75/940727975.db2.gz ZPAGUFNQHHTDER-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211279597 940745169 /nfs/dbraw/zinc/74/51/69/940745169.db2.gz YURPIALDYHLPDR-OAHLLOKOSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001214952969 940847432 /nfs/dbraw/zinc/84/74/32/940847432.db2.gz UZBVWSJYKJKXNG-MGPQQGTHSA-N 2 0 267.417 1.339 20 30 CDEDRP C=C1CC[NH2+]C[C@@H]1OCc1ccc2c(c1)CC[NH2+]C2 ZINC001217830391 941022129 /nfs/dbraw/zinc/02/21/29/941022129.db2.gz CLZFXPSETISKQK-INIZCTEOSA-N 2 0 258.365 1.767 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)N[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001220162733 941419010 /nfs/dbraw/zinc/41/90/10/941419010.db2.gz LINPRWRECKSJGS-VNQPRFMTSA-N 2 0 277.412 1.333 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC001220868169 941478872 /nfs/dbraw/zinc/47/88/72/941478872.db2.gz DKFYTHJXKWUYPD-HZSPNIEDSA-N 2 0 265.401 1.141 20 30 CDEDRP COc1ccc(CN2CCC(F)(C[NH3+])CC2)c(C#N)c1 ZINC001222533038 941609069 /nfs/dbraw/zinc/60/90/69/941609069.db2.gz RPFRSVFXZCIWLE-UHFFFAOYSA-N 2 0 277.343 1.830 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001224261531 941735527 /nfs/dbraw/zinc/73/55/27/941735527.db2.gz USYWYAOAEYTEBY-UHFFFAOYSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001226799512 942073350 /nfs/dbraw/zinc/07/33/50/942073350.db2.gz BEJUQGCOVKQJDK-BZUAXINKSA-N 2 0 291.439 1.367 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228269306 942286909 /nfs/dbraw/zinc/28/69/09/942286909.db2.gz FDLDJVRZZNFWIX-HUUCEWRRSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001228604107 942340534 /nfs/dbraw/zinc/34/05/34/942340534.db2.gz XNWCBEXOVRKKHQ-ARFHVFGLSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228894950 942388862 /nfs/dbraw/zinc/38/88/62/942388862.db2.gz GCEPMAVBSCCKHQ-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001229908668 942552239 /nfs/dbraw/zinc/55/22/39/942552239.db2.gz OCIPXDPXNXDAEU-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C=C(C)C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001265156408 944254653 /nfs/dbraw/zinc/25/46/53/944254653.db2.gz YLYQVVNZJGYBPE-OAHLLOKOSA-N 2 0 279.428 1.627 20 30 CDEDRP C#Cc1ccc(-c2cn(CCCC[NH2+]CCC[NH3+])nn2)cc1 ZINC001254162932 947317030 /nfs/dbraw/zinc/31/70/30/947317030.db2.gz KKFDQQLTPINTFR-UHFFFAOYSA-N 2 0 297.406 1.645 20 30 CDEDRP COCCC1([NH3+])CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254647495 947571105 /nfs/dbraw/zinc/57/11/05/947571105.db2.gz GVBRQRCECJNOEG-OLZOCXBDSA-N 2 0 251.374 1.508 20 30 CDEDRP N#C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](C3COC3)CC2)C1 ZINC001254658927 947574436 /nfs/dbraw/zinc/57/44/36/947574436.db2.gz XQYUEFSYQLIGOF-ZIAGYGMSSA-N 2 0 263.385 1.379 20 30 CDEDRP N#C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](C3COC3)CC2)C1 ZINC001254658921 947575840 /nfs/dbraw/zinc/57/58/40/947575840.db2.gz XQYUEFSYQLIGOF-KGLIPLIRSA-N 2 0 263.385 1.379 20 30 CDEDRP CCCCCCC[C@@H](C)[NH2+]CCN(CC[NH3+])N(O)N=O ZINC001258041106 948693433 /nfs/dbraw/zinc/69/34/33/948693433.db2.gz MNGMOHWRALLIBK-CYBMUJFWSA-N 2 0 289.424 1.873 20 30 CDEDRP C#CCOC[C@@H](O)C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001251847414 950869475 /nfs/dbraw/zinc/86/94/75/950869475.db2.gz FIIGFLFJYWNMCB-INIZCTEOSA-N 2 0 282.428 1.049 20 30 CDEDRP C#CCOC[C@H](O)C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001251887760 950921177 /nfs/dbraw/zinc/92/11/77/950921177.db2.gz IPSCROZTFYDWHB-LSDHHAIUSA-N 2 0 270.417 1.097 20 30 CDEDRP C=CCOC[C@@H](O)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001252470703 951323026 /nfs/dbraw/zinc/32/30/26/951323026.db2.gz NNBOUQHINGFMPP-ULQDDVLXSA-N 2 0 296.455 1.889 20 30 CDEDRP C=C[C@](C)(O)C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001252572376 951464695 /nfs/dbraw/zinc/46/46/95/951464695.db2.gz PVBDWIYLYSIYJC-ZNMIVQPWSA-N 2 0 254.418 1.881 20 30 CDEDRP C=C[C@H](O)C[NH+]1CCN(CC[NH+](CCC)CCC)CC1 ZINC001253584637 951973383 /nfs/dbraw/zinc/97/33/83/951973383.db2.gz OZGJJOKPJYLWGJ-INIZCTEOSA-N 2 0 283.460 1.273 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001423221984 956674664 /nfs/dbraw/zinc/67/46/64/956674664.db2.gz MPFFBDSTDFEILM-VXGBXAGGSA-N 2 0 285.819 1.318 20 30 CDEDRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CC#CC[NH+](C)C ZINC001335381727 959758070 /nfs/dbraw/zinc/75/80/70/959758070.db2.gz MKZPJKAXSKFMCB-GDBMZVCRSA-N 2 0 260.381 1.306 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC001340128679 962762052 /nfs/dbraw/zinc/76/20/52/962762052.db2.gz NYLNGODOSOQHRE-OCCSQVGLSA-N 2 0 288.395 1.520 20 30 CDEDRP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CC#CC[NH+](C)C)c1 ZINC001353300542 967874123 /nfs/dbraw/zinc/87/41/23/967874123.db2.gz NJTPSTHWSUWEFZ-INIZCTEOSA-N 2 0 290.407 1.198 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001100406857 968260685 /nfs/dbraw/zinc/26/06/85/968260685.db2.gz OPWMPOJFXKIEDI-GPANFISMSA-N 2 0 293.455 1.920 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001100730982 969032334 /nfs/dbraw/zinc/03/23/34/969032334.db2.gz WRHXDCYTKBTFDB-QQFBHYJXSA-N 2 0 291.439 1.369 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001406935922 976484703 /nfs/dbraw/zinc/48/47/03/976484703.db2.gz HXDGEMOBZYLCLA-LBPRGKRZSA-N 2 0 285.819 1.462 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCC1 ZINC001393558939 977836107 /nfs/dbraw/zinc/83/61/07/977836107.db2.gz IYLLALYTCSFRQU-UHFFFAOYSA-N 2 0 287.835 1.709 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001133313981 1163636741 /nfs/dbraw/zinc/63/67/41/1163636741.db2.gz KFVQDTSSFLDSMT-JKSUJKDBSA-N 2 0 291.439 1.180 20 30 CDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001574851580 1171023331 /nfs/dbraw/zinc/02/33/31/1171023331.db2.gz HWHISEHIMXLCNK-DCAQKATOSA-N 2 0 273.808 1.301 20 30 CDEDRP C[N@H+](CCCOc1cccc(C#N)c1)C1CC([NH3+])C1 ZINC001578469291 1171927544 /nfs/dbraw/zinc/92/75/44/1171927544.db2.gz QJRKJVFICHHRSZ-UHFFFAOYSA-N 2 0 259.353 1.749 20 30 CDEDRP C=CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CC1 ZINC000438998400 361788754 /nfs/dbraw/zinc/78/87/54/361788754.db2.gz IUXHVKOAEIUYEH-CVEARBPZSA-N 2 0 293.455 1.908 20 30 CDEDRP COCC[NH2+]CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000591578185 342637851 /nfs/dbraw/zinc/63/78/51/342637851.db2.gz MWCGSQZZXZAPQI-MRXNPFEDSA-N 2 0 273.380 1.761 20 30 CDEDRP C[NH+]=C(NCc1ccsc1)NC[C@@H]1CC[N@H+](C)C1 ZINC000083802565 342220806 /nfs/dbraw/zinc/22/08/06/342220806.db2.gz ICXUXFYVTXLQEO-NSHDSACASA-N 2 0 266.414 1.365 20 30 CDEDRP C[NH+](C)CCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000080576335 342356698 /nfs/dbraw/zinc/35/66/98/342356698.db2.gz UPMUUKLWWQYLRX-ZDUSSCGKSA-N 2 0 276.384 1.366 20 30 CDEDRP C[C@H](CCNC(=[NH2+])NC1CC1)[N@H+](C)Cc1ccccc1 ZINC000081781055 342373670 /nfs/dbraw/zinc/37/36/70/342373670.db2.gz JKSFSCOSIPICFP-CYBMUJFWSA-N 2 0 274.412 1.964 20 30 CDEDRP CC[NH+]1CCN(CCC[NH2+]C[C@H](C)CCC#N)CC1 ZINC000602594103 344481924 /nfs/dbraw/zinc/48/19/24/344481924.db2.gz RONXOVULVJIZID-OAHLLOKOSA-N 2 0 266.433 1.543 20 30 CDEDRP N#CCN1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000611104145 346609050 /nfs/dbraw/zinc/60/90/50/346609050.db2.gz CCQBRVNEDWGGOE-CABCVRRESA-N 2 0 262.401 1.191 20 30 CDEDRP C[C@H]1C[N@H+](CCCNCc2cccc(C#N)n2)CCCO1 ZINC000602635483 350134421 /nfs/dbraw/zinc/13/44/21/350134421.db2.gz ZBMLGGNDAQAQIL-AWEZNQCLSA-N 2 0 288.395 1.544 20 30 CDEDRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000190759571 358091995 /nfs/dbraw/zinc/09/19/95/358091995.db2.gz VLPTXNZLKUWCPU-UHFFFAOYSA-N 2 0 289.427 1.014 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426357111 358440798 /nfs/dbraw/zinc/44/07/98/358440798.db2.gz BPVSQLAYDZGEIK-MRXNPFEDSA-N 2 0 291.439 1.770 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1(C)CC[NH2+]C1)C(C)C ZINC000236689589 358798799 /nfs/dbraw/zinc/79/87/99/358798799.db2.gz ZZEXFEMZGXEPJL-NVXWUHKLSA-N 2 0 293.455 1.801 20 30 CDEDRP C=CCCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000338669383 360954638 /nfs/dbraw/zinc/95/46/38/360954638.db2.gz XNMFENHRSMVZQD-HNNXBMFYSA-N 2 0 281.444 1.827 20 30 CDEDRP C[NH+]=C(NCc1nccs1)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000158372697 364046110 /nfs/dbraw/zinc/04/61/10/364046110.db2.gz MESHNXSETWJCAU-NEPJUHHUSA-N 2 0 295.456 1.537 20 30 CDEDRP C=CC[NH+]1CCC(Nc2ccncc2C(N)=O)CC1 ZINC000302214268 364467671 /nfs/dbraw/zinc/46/76/71/364467671.db2.gz IGIGAXZNYIUGKQ-UHFFFAOYSA-N 2 0 260.341 1.243 20 30 CDEDRP C=CCC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758149 364798707 /nfs/dbraw/zinc/79/87/07/364798707.db2.gz PEQMVEQDBLBZIS-CQSZACIVSA-N 2 0 252.402 1.731 20 30 CDEDRP COc1ccccc1CNC(=[NH2+])NC[C@H](C)[N@H+](C)C1CC1 ZINC000170914798 365164106 /nfs/dbraw/zinc/16/41/06/365164106.db2.gz IFCUROUPMZLAKC-LBPRGKRZSA-N 2 0 290.411 1.582 20 30 CDEDRP N#CCC[C@@H](C#N)C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000582421094 370617942 /nfs/dbraw/zinc/61/79/42/370617942.db2.gz WNIFMGJKNJYGDI-GJZGRUSLSA-N 2 0 278.400 1.256 20 30 CDEDRP C[C@@H]1CCC[N@H+](CCCCNC2=[NH+]CCCN2)C1 ZINC000341607782 373824567 /nfs/dbraw/zinc/82/45/67/373824567.db2.gz BRRGCHYUQNRGPL-CYBMUJFWSA-N 2 0 252.406 1.437 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])CCCC)CC1 ZINC000417536785 377900730 /nfs/dbraw/zinc/90/07/30/377900730.db2.gz LGSDJIMDMBEUBW-OAHLLOKOSA-N 2 0 296.459 1.844 20 30 CDEDRP C=CCC[C@H](O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343719755 378944395 /nfs/dbraw/zinc/94/43/95/378944395.db2.gz LJRFQZJTEPMPEC-WBVHZDCISA-N 2 0 295.471 1.414 20 30 CDEDRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCC[C@H](C#N)C3)C2)CC1 ZINC000373171767 391108659 /nfs/dbraw/zinc/10/86/59/391108659.db2.gz BVQPVNJLQKFMSK-JYJNAYRXSA-N 2 0 290.455 1.827 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000349339142 391546649 /nfs/dbraw/zinc/54/66/49/391546649.db2.gz BQZLGBPZJOSGOU-GJZGRUSLSA-N 2 0 253.434 1.957 20 30 CDEDRP CN1CC[NH+]=C1NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000262689571 391813572 /nfs/dbraw/zinc/81/35/72/391813572.db2.gz ZUHCTGRFCSOAPV-INIZCTEOSA-N 2 0 286.423 1.788 20 30 CDEDRP CCC(N)=[NH+]OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000289432390 263110155 /nfs/dbraw/zinc/11/01/55/263110155.db2.gz SBQQJUJLZRKITL-OAHLLOKOSA-N 2 0 291.395 1.976 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000237394060 423866884 /nfs/dbraw/zinc/86/68/84/423866884.db2.gz OMDGMYFDQGVKDQ-GJZGRUSLSA-N 2 0 293.455 1.779 20 30 CDEDRP C#CC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177506194 329185099 /nfs/dbraw/zinc/18/50/99/329185099.db2.gz DSOSVCZMGOFUJZ-HUUCEWRRSA-N 2 0 264.413 1.831 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000132754868 329648752 /nfs/dbraw/zinc/64/87/52/329648752.db2.gz CROILJLQZDXQQR-INIZCTEOSA-N 2 0 296.455 1.890 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262532819 330019929 /nfs/dbraw/zinc/01/99/29/330019929.db2.gz OMZMNLHBHUSVHM-RQJABVFESA-N 2 0 294.443 1.189 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCC2(C[NH+]3CCOCC3)CCCCC2)N1 ZINC000262666289 330025507 /nfs/dbraw/zinc/02/55/07/330025507.db2.gz OXPSNVPTIJCCGJ-CQSZACIVSA-N 2 0 294.443 1.206 20 30 CDEDRP C=C(C)C[NH+]1CCC(N[C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422981195 330162511 /nfs/dbraw/zinc/16/25/11/330162511.db2.gz SFKRWVABJAXOFQ-DZGCQCFKSA-N 2 0 251.418 1.757 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000423382185 330199209 /nfs/dbraw/zinc/19/92/09/330199209.db2.gz OCCNYUQQCXLWHT-GXTWGEPZSA-N 2 0 265.401 1.141 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)NCCCCC[NH+]1CCCCC1 ZINC000424148946 330295640 /nfs/dbraw/zinc/29/56/40/330295640.db2.gz VKKMVDZBUAOYMV-OAHLLOKOSA-N 2 0 294.443 1.780 20 30 CDEDRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)CC[NH2+]CC1 ZINC000424375756 330348378 /nfs/dbraw/zinc/34/83/78/330348378.db2.gz NVOAOMVBTYFAQU-HZSPNIEDSA-N 2 0 293.411 1.590 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000491619651 332245788 /nfs/dbraw/zinc/24/57/88/332245788.db2.gz CCJXIHURFYXHJL-CQSZACIVSA-N 2 0 296.459 1.217 20 30 CDEDRP C#CC[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001755024927 1159504840 /nfs/dbraw/zinc/50/48/40/1159504840.db2.gz LLIRYCZVXSFOHR-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001755079444 1159520090 /nfs/dbraw/zinc/52/00/90/1159520090.db2.gz KEUYHTYSEFJUPJ-QGZVFWFLSA-N 2 0 291.439 1.276 20 30 CDEDRP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001753788594 1159906082 /nfs/dbraw/zinc/90/60/82/1159906082.db2.gz PJWSWMSNCIHHHO-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001755836159 1160621280 /nfs/dbraw/zinc/62/12/80/1160621280.db2.gz OHWQDMVGTFOOLO-AWEZNQCLSA-N 2 0 291.439 1.226 20 30 CDEDRP C=CCOCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000354859480 526688594 /nfs/dbraw/zinc/68/85/94/526688594.db2.gz ZGOXOSGEFVEDHR-OAHLLOKOSA-N 2 0 297.443 1.064 20 30 CDEDRP C1C[C@@H]2C(=NNC3=[NH+][C@H]4CCCC[C@H]4N3)CC[N@H+]2C1 ZINC000765585393 576040807 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ZINC000892948689 617957604 /nfs/dbraw/zinc/95/76/04/617957604.db2.gz XPRCVSDEJPURSH-GOSISDBHSA-N 2 0 297.446 1.796 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000911883802 629611810 /nfs/dbraw/zinc/61/18/10/629611810.db2.gz ZYYPPLCXDXCODK-KKUMJFAQSA-N 2 0 299.459 1.639 20 30 CDEDRP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886171432 679613717 /nfs/dbraw/zinc/61/37/17/679613717.db2.gz HCBSDGNTDYXMSH-GJZGRUSLSA-N 2 0 279.428 1.847 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989480842 679652801 /nfs/dbraw/zinc/65/28/01/679652801.db2.gz MBESIYKJHYUOMA-HNNXBMFYSA-N 2 0 279.428 1.439 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001044820984 677704194 /nfs/dbraw/zinc/70/41/94/677704194.db2.gz DYDRHZZWMCFPTM-CABCVRRESA-N 2 0 291.439 1.627 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000303897549 677717086 /nfs/dbraw/zinc/71/70/86/677717086.db2.gz QPJOJNDDZWTLFO-AVGNSLFASA-N 2 0 270.421 1.046 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC=C)C1 ZINC001023423414 677848520 /nfs/dbraw/zinc/84/85/20/677848520.db2.gz XWTAOPKAUBWTPF-HOTGVXAUSA-N 2 0 289.423 1.098 20 30 CDEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000997734534 677881909 /nfs/dbraw/zinc/88/19/09/677881909.db2.gz GQVLRQVHNBIGHL-AWEZNQCLSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001034684273 677965939 /nfs/dbraw/zinc/96/59/39/677965939.db2.gz VEDQAERCXKCIEI-SHTZXODSSA-N 2 0 289.423 1.265 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999795406 677951672 /nfs/dbraw/zinc/95/16/72/677951672.db2.gz YSQKKRXMFNRVEJ-HOTGVXAUSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001072981305 678069404 /nfs/dbraw/zinc/06/94/04/678069404.db2.gz CYACRSJZMXZBSF-CQSZACIVSA-N 2 0 277.412 1.191 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001034606576 678070096 /nfs/dbraw/zinc/07/00/96/678070096.db2.gz BGWDMVKCMHEEHB-KKUMJFAQSA-N 2 0 279.428 1.674 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001022436789 678078482 /nfs/dbraw/zinc/07/84/82/678078482.db2.gz PYXIUQFVYXOYOX-BETUJISGSA-N 2 0 270.336 1.371 20 30 CDEDRP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001000850201 678079975 /nfs/dbraw/zinc/07/99/75/678079975.db2.gz IGUUKUXSBALKKB-MRXNPFEDSA-N 2 0 289.423 1.242 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001000466499 678086358 /nfs/dbraw/zinc/08/63/58/678086358.db2.gz POTILYKCBIVWGJ-QGZVFWFLSA-N 2 0 299.418 1.576 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001036158490 678094323 /nfs/dbraw/zinc/09/43/23/678094323.db2.gz BUFNBSUJJUPFPE-DZGCQCFKSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCN1Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cc2C1 ZINC001054292218 678124650 /nfs/dbraw/zinc/12/46/50/678124650.db2.gz VWQRZWKAUOLVFU-MRXNPFEDSA-N 2 0 299.418 1.756 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015998159 678183566 /nfs/dbraw/zinc/18/35/66/678183566.db2.gz MCZCUAXUVSLKPS-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP C[C@H]1CCC[N@H+](CCCCNC2=[NH+]CCCN2C)C1 ZINC000848990088 678214369 /nfs/dbraw/zinc/21/43/69/678214369.db2.gz YAPSIWDSSKVYPJ-AWEZNQCLSA-N 2 0 266.433 1.780 20 30 CDEDRP C[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)[N@@H+]1CCCC[C@H]1C ZINC000261719879 678214653 /nfs/dbraw/zinc/21/46/53/678214653.db2.gz FQRLOVNUCNHXGT-MGPQQGTHSA-N 2 0 282.432 1.333 20 30 CDEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001006408671 679667769 /nfs/dbraw/zinc/66/77/69/679667769.db2.gz UXKDUKWASRERLE-UHFFFAOYSA-N 2 0 293.455 1.971 20 30 CDEDRP CCOCCCNC(=[NH2+])NCC[C@H](C)[NH+]1CCCCC1 ZINC000181500317 679670127 /nfs/dbraw/zinc/67/01/27/679670127.db2.gz VKQYSRLULONNTK-AWEZNQCLSA-N 2 0 284.448 1.582 20 30 CDEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001045385103 679678359 /nfs/dbraw/zinc/67/83/59/679678359.db2.gz DVPQLCJNTIPYQJ-CYBMUJFWSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001022150274 679692851 /nfs/dbraw/zinc/69/28/51/679692851.db2.gz AFTBUGAJNTZNAN-BETUJISGSA-N 2 0 291.420 1.293 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033390235 679698670 /nfs/dbraw/zinc/69/86/70/679698670.db2.gz JAZYDYCOCZFJLE-INIZCTEOSA-N 2 0 293.455 1.827 20 30 CDEDRP CC(C)NC(=[NH2+])NCCN1CCc2ccccc2C1 ZINC000303892975 677710946 /nfs/dbraw/zinc/71/09/46/677710946.db2.gz NWKSBYWPEDBGEG-UHFFFAOYSA-N 2 0 260.385 1.357 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033828272 677740740 /nfs/dbraw/zinc/74/07/40/677740740.db2.gz NXDXLOLMQKJEDP-JKSUJKDBSA-N 2 0 293.455 1.968 20 30 CDEDRP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001049717094 677971716 /nfs/dbraw/zinc/97/17/16/677971716.db2.gz CRVPLHHRASHOEA-BZUAXINKSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033072067 678090310 /nfs/dbraw/zinc/09/03/10/678090310.db2.gz JLLVZTGRBAADNR-HUUCEWRRSA-N 2 0 279.428 1.578 20 30 CDEDRP CCNC(NCCC[N@@H+]1CCCO[C@@H](C)C1)=[NH+]CC ZINC000849022491 678146925 /nfs/dbraw/zinc/14/69/25/678146925.db2.gz DFSACGWAKJHDFT-ZDUSSCGKSA-N 2 0 270.421 1.062 20 30 CDEDRP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001033689706 678323424 /nfs/dbraw/zinc/32/34/24/678323424.db2.gz GQTFZHQJVJXVKX-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001050139579 678342670 /nfs/dbraw/zinc/34/26/70/678342670.db2.gz CSHQXDMGCMRZOQ-SOUVJXGZSA-N 2 0 279.428 1.435 20 30 CDEDRP C#CCN1CCC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000886660807 678377353 /nfs/dbraw/zinc/37/73/53/678377353.db2.gz GKVALDRPGLWHJG-INIZCTEOSA-N 2 0 277.456 1.937 20 30 CDEDRP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001024367289 678413304 /nfs/dbraw/zinc/41/33/04/678413304.db2.gz ZFRLGBABSYQUDR-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001072553595 678562481 /nfs/dbraw/zinc/56/24/81/678562481.db2.gz FDOULVJFQVKHHK-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCC[C@H](C)C2)C1 ZINC000303895404 678566226 /nfs/dbraw/zinc/56/62/26/678566226.db2.gz PLIFBNWPGGJMNB-QWHCGFSZSA-N 2 0 252.406 1.375 20 30 CDEDRP C#CC[NH+]1CCC(C)(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001045492056 678567157 /nfs/dbraw/zinc/56/71/57/678567157.db2.gz RXHPZMVCXVUKHR-UHFFFAOYSA-N 2 0 296.374 1.552 20 30 CDEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001072979629 678615604 /nfs/dbraw/zinc/61/56/04/678615604.db2.gz GCJMUXWDLCIPSW-HNNXBMFYSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[N@@H+](C)CCCNCc1cnc([C@H](C)O)s1 ZINC000883131150 678745712 /nfs/dbraw/zinc/74/57/12/678745712.db2.gz JVRTYDZGGABZJP-NSHDSACASA-N 2 0 267.398 1.241 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848353109 678837572 /nfs/dbraw/zinc/83/75/72/678837572.db2.gz XJBXAYNPYHYXIS-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000998190504 678847740 /nfs/dbraw/zinc/84/77/40/678847740.db2.gz QIDFBJVVPCJSQS-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[N@H+]1CCC2(CN(C(=O)C[C@@H](C)n3ccnc3)C2)C1 ZINC001073021882 678855642 /nfs/dbraw/zinc/85/56/42/678855642.db2.gz RJKUJBBFTLCXHL-CQSZACIVSA-N 2 0 288.395 1.555 20 30 CDEDRP C#CCC[NH+]1CCC(N(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001006299709 678871914 /nfs/dbraw/zinc/87/19/14/678871914.db2.gz PYCDUVGEPPBZHT-UHFFFAOYSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000996713292 678900496 /nfs/dbraw/zinc/90/04/96/678900496.db2.gz SMIYRXMRCLNLLJ-CVEARBPZSA-N 2 0 289.423 1.217 20 30 CDEDRP C#CCN(C)CCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000327960030 678918405 /nfs/dbraw/zinc/91/84/05/678918405.db2.gz CFXZQGBYCMOLOP-AWEZNQCLSA-N 2 0 251.418 1.261 20 30 CDEDRP C[NH+]=C(NC[C@H](C)[N@H+](C)C1CC1)N1CC[C@]2(CCOC2)C1 ZINC000261974454 678938371 /nfs/dbraw/zinc/93/83/71/678938371.db2.gz NKEUAPAZSJOAPN-BBRMVZONSA-N 2 0 294.443 1.157 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001072981616 678960338 /nfs/dbraw/zinc/96/03/38/678960338.db2.gz MKDBGPMHDKAIKJ-HUUCEWRRSA-N 2 0 291.439 1.295 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001008533137 678968506 /nfs/dbraw/zinc/96/85/06/678968506.db2.gz QYYDYOFJGONRDA-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CCN1CC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001015705431 678988805 /nfs/dbraw/zinc/98/88/05/678988805.db2.gz LFFFCJGJTGKYLU-CZUORRHYSA-N 2 0 295.402 1.023 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999190700 679034790 /nfs/dbraw/zinc/03/47/90/679034790.db2.gz SOLKOFVYGVJYLR-HZSPNIEDSA-N 2 0 299.846 1.660 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014485423 679035309 /nfs/dbraw/zinc/03/53/09/679035309.db2.gz WNGLKSIUAIBSKP-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCOCCC#N ZINC000815074502 679046403 /nfs/dbraw/zinc/04/64/03/679046403.db2.gz VAIGVCGVJXTZFG-KFWWJZLASA-N 2 0 281.400 1.100 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015596741 679081616 /nfs/dbraw/zinc/08/16/16/679081616.db2.gz GJKKYBBYLQIIPS-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073127564 679087248 /nfs/dbraw/zinc/08/72/48/679087248.db2.gz FSEDVCOACZTJMB-HNNXBMFYSA-N 2 0 291.439 1.439 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001054862386 679089867 /nfs/dbraw/zinc/08/98/67/679089867.db2.gz CUFDAIYKQJOBQA-IUODEOHRSA-N 2 0 282.347 1.018 20 30 CDEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008404970 679096807 /nfs/dbraw/zinc/09/68/07/679096807.db2.gz KCDXTCZUAOGRQG-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033080567 679112562 /nfs/dbraw/zinc/11/25/62/679112562.db2.gz FSCHYQPJKWBMDQ-CVEARBPZSA-N 2 0 291.439 1.415 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001031817734 679116399 /nfs/dbraw/zinc/11/63/99/679116399.db2.gz REXOOQGCAXCNGW-UHFFFAOYSA-N 2 0 282.347 1.019 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000998763252 679135478 /nfs/dbraw/zinc/13/54/78/679135478.db2.gz NDQWCZYYDFOKPJ-YMAMQOFZSA-N 2 0 279.428 1.624 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009518720 679156720 /nfs/dbraw/zinc/15/67/20/679156720.db2.gz SUEKFAWLQHTFLC-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001028332452 679213911 /nfs/dbraw/zinc/21/39/11/679213911.db2.gz VBSLAPAYDWJCGH-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)CC3(C#N)CCC3)C2)C1 ZINC000886218353 679385484 /nfs/dbraw/zinc/38/54/84/679385484.db2.gz TTXGIAHHKCACER-DOTOQJQBSA-N 2 0 291.439 1.849 20 30 CDEDRP CC(C)[C@H](CNC(=[NH2+])N1CCOCC1)[NH+]1CCCCCC1 ZINC000303786314 679393596 /nfs/dbraw/zinc/39/35/96/679393596.db2.gz RELFMBKPMCHYTR-HNNXBMFYSA-N 2 0 296.459 1.534 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001003776102 679427931 /nfs/dbraw/zinc/42/79/31/679427931.db2.gz IIEBZQCGSASGQO-CVEARBPZSA-N 2 0 291.439 1.770 20 30 CDEDRP C[NH+](C)C1(CNC(=[NH2+])NC2CCCCCC2)CCOCC1 ZINC000092278257 679465529 /nfs/dbraw/zinc/46/55/29/679465529.db2.gz JVRNWEKQFUPJNK-UHFFFAOYSA-N 2 0 296.459 1.724 20 30 CDEDRP C#CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C(C)C ZINC000932388834 679537349 /nfs/dbraw/zinc/53/73/49/679537349.db2.gz XIELLKADIPJTEE-UHFFFAOYSA-N 2 0 265.445 1.746 20 30 CDEDRP CCOC(C)(C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000187142814 679542741 /nfs/dbraw/zinc/54/27/41/679542741.db2.gz XNHOFXPQLPNIED-GFCCVEGCSA-N 2 0 270.421 1.190 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000997370187 679547481 /nfs/dbraw/zinc/54/74/81/679547481.db2.gz VEDFFEOQNGBXTM-INIZCTEOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001027892842 679564782 /nfs/dbraw/zinc/56/47/82/679564782.db2.gz FBBLRPRCCYVWMO-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001001634612 679565663 /nfs/dbraw/zinc/56/56/63/679565663.db2.gz AWYCLWOGBOSDTB-UHFFFAOYSA-N 2 0 298.390 1.962 20 30 CDEDRP C[NH+]1CCN(C2CC[NH+](CCCC#N)CC2)CC1 ZINC000879592194 679649551 /nfs/dbraw/zinc/64/95/51/679649551.db2.gz ZOZRGQRVIIKPFK-UHFFFAOYSA-N 2 0 250.390 1.002 20 30 CDEDRP CN(C)C(NCc1ccccc1)=[NH+]CCNc1cc[nH+]cc1 ZINC000848995426 679650600 /nfs/dbraw/zinc/65/06/00/679650600.db2.gz WDJREGIXIOZSLQ-UHFFFAOYSA-N 2 0 297.406 1.623 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132931813 1163511351 /nfs/dbraw/zinc/51/13/51/1163511351.db2.gz DLTXPPVCCKCBJA-GJZGRUSLSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134772375 1164102118 /nfs/dbraw/zinc/10/21/18/1164102118.db2.gz COXNGOYDEBEMNW-QWHCGFSZSA-N 2 0 269.433 1.776 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001566909691 1168463347 /nfs/dbraw/zinc/46/33/47/1168463347.db2.gz CWGRDEHBJBQDNU-GJZGRUSLSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[C@]1(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)CCC[NH2+]1 ZINC001574893055 1171040215 /nfs/dbraw/zinc/04/02/15/1171040215.db2.gz NXJNGXSRBAXJKR-XJKCOSOUSA-N 2 0 279.428 1.530 20 30 CDEDRP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001668977996 1173488150 /nfs/dbraw/zinc/48/81/50/1173488150.db2.gz ILRKCCQDMPWOJT-ISZGNANSSA-N 2 0 265.401 1.309 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001690259888 1175413675 /nfs/dbraw/zinc/41/36/75/1175413675.db2.gz BTHSFRAOVSEQIQ-KRWDZBQOSA-N 2 0 299.418 1.576 20 30 CDEDRP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001752524882 1184875010 /nfs/dbraw/zinc/87/50/10/1184875010.db2.gz IQZPXFJQFORZCQ-MRXNPFEDSA-N 2 0 293.455 1.829 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001752708603 1184896974 /nfs/dbraw/zinc/89/69/74/1184896974.db2.gz UUMKJYIDUMSLLY-GJZGRUSLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001752996872 1184988195 /nfs/dbraw/zinc/98/81/95/1184988195.db2.gz PYOIYARBDNDQMO-HNNXBMFYSA-N 2 0 281.444 1.827 20 30 CDEDRP C#CC[N@@H+](C)CCNC(=O)c1sccc1C[NH+](C)C ZINC001753050685 1185021109 /nfs/dbraw/zinc/02/11/09/1185021109.db2.gz QEHRQOAWZRGEGF-UHFFFAOYSA-N 2 0 279.409 1.105 20 30 CDEDRP C#CC[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001753290236 1185145299 /nfs/dbraw/zinc/14/52/99/1185145299.db2.gz OSPSAPRGJKFCJE-UHFFFAOYSA-N 2 0 293.455 1.711 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CCCC2)C1 ZINC001753323709 1185154122 /nfs/dbraw/zinc/15/41/22/1185154122.db2.gz QMJUKWQDLPGXDD-MRXNPFEDSA-N 2 0 291.439 1.418 20 30 CDEDRP C#CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001753498212 1185237354 /nfs/dbraw/zinc/23/73/54/1185237354.db2.gz VTWNLHUIFRJUGM-HUUCEWRRSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001753809081 1185341032 /nfs/dbraw/zinc/34/10/32/1185341032.db2.gz JKCNXWCUIIJVKQ-ZBFHGGJFSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001753819079 1185344633 /nfs/dbraw/zinc/34/46/33/1185344633.db2.gz ZUMFKKFIISSRNR-HUUCEWRRSA-N 2 0 279.428 1.178 20 30 CDEDRP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001754332228 1185584171 /nfs/dbraw/zinc/58/41/71/1185584171.db2.gz ATLHIOQRLUJJAR-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP C#CCC[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001754443801 1185621044 /nfs/dbraw/zinc/62/10/44/1185621044.db2.gz FDCLQYVNURYXJH-CVEARBPZSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CCC[N@@H+](C)CCCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001755039932 1185795694 /nfs/dbraw/zinc/79/56/94/1185795694.db2.gz ZAGIYRSRSPMGEF-MRXNPFEDSA-N 2 0 293.455 1.664 20 30 CDEDRP C#CCC[N@@H+](C)CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001755040396 1185796758 /nfs/dbraw/zinc/79/67/58/1185796758.db2.gz SXRYYSKBVRRDDP-UHFFFAOYSA-N 2 0 291.439 1.418 20 30 CDEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001755392338 1185939679 /nfs/dbraw/zinc/93/96/79/1185939679.db2.gz UIVQMGCNVPDPAV-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001755423990 1185948919 /nfs/dbraw/zinc/94/89/19/1185948919.db2.gz FEYKERUGMUUOOX-PHZGNYQRSA-N 2 0 291.439 1.341 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CCC=C)CC1 ZINC001755617795 1186014109 /nfs/dbraw/zinc/01/41/09/1186014109.db2.gz FEPHTIAHSREXBN-HNNXBMFYSA-N 2 0 291.439 1.344 20 30 CDEDRP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001755618920 1186014122 /nfs/dbraw/zinc/01/41/22/1186014122.db2.gz PZYWPITVGJECPB-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP CC[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCCCCC2)C1 ZINC000305054175 1186633776 /nfs/dbraw/zinc/63/37/76/1186633776.db2.gz IPWLPMDLCKCRDQ-AWEZNQCLSA-N 2 0 266.433 1.909 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773107 1164104639 /nfs/dbraw/zinc/10/46/39/1164104639.db2.gz LDLYVFZHXWGFHO-UONOGXRCSA-N 2 0 281.444 1.613 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175262437 1164303667 /nfs/dbraw/zinc/30/36/67/1164303667.db2.gz GZWQHDYRNLXXBZ-CABCVRRESA-N 2 0 279.428 1.226 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCC1CC[NH+](C)CC1 ZINC001340063568 962720925 /nfs/dbraw/zinc/72/09/25/962720925.db2.gz PLKYYQZBMFUEMI-ZDUSSCGKSA-N 2 0 253.390 1.128 20 30 CDEDRP C[N@H+](CCO)CCC[NH2+]C1CCC(CC#N)CC1 ZINC001173332675 912431446 /nfs/dbraw/zinc/43/14/46/912431446.db2.gz QTGWYBCLNBZIQG-UHFFFAOYSA-N 2 0 253.390 1.363 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC001121931093 913248528 /nfs/dbraw/zinc/24/85/28/913248528.db2.gz CUVQZLJMYFYBKD-ZIAGYGMSSA-N 2 0 285.432 1.250 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC001121931091 913250162 /nfs/dbraw/zinc/25/01/62/913250162.db2.gz CUVQZLJMYFYBKD-KGLIPLIRSA-N 2 0 285.432 1.250 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175042475 913442213 /nfs/dbraw/zinc/44/22/13/913442213.db2.gz UUQJBWJKARCMCD-CQSZACIVSA-N 2 0 279.428 1.226 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175271383 913523712 /nfs/dbraw/zinc/52/37/12/913523712.db2.gz ARKQILYEVUTFEU-OAHLLOKOSA-N 2 0 295.471 1.862 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001266880377 896268937 /nfs/dbraw/zinc/26/89/37/896268937.db2.gz KESCYYHMDMZJNV-HUUCEWRRSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001481067767 898725213 /nfs/dbraw/zinc/72/52/13/898725213.db2.gz YDRDIZLSJNFOFH-KGLIPLIRSA-N 2 0 267.417 1.339 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176992462 914421423 /nfs/dbraw/zinc/42/14/23/914421423.db2.gz QABIXKBUBFOLJO-AWEZNQCLSA-N 2 0 267.417 1.533 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1CC ZINC001087578469 905706367 /nfs/dbraw/zinc/70/63/67/905706367.db2.gz XLGLPCHIQJMPKE-CAOSSQGBSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087796965 905853629 /nfs/dbraw/zinc/85/36/29/905853629.db2.gz SIMVSAIGGKZCGL-SOUVJXGZSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1 ZINC001212483730 921272331 /nfs/dbraw/zinc/27/23/31/921272331.db2.gz QALYDIRTIULWAM-ZIAGYGMSSA-N 2 0 297.443 1.108 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001088336359 906947932 /nfs/dbraw/zinc/94/79/32/906947932.db2.gz BXPPPEJMWKVDRD-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001168320889 909018111 /nfs/dbraw/zinc/01/81/11/909018111.db2.gz VELACDRPMCCYIZ-UHFFFAOYSA-N 2 0 281.444 1.779 20 30 CDEDRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC001120483558 911981017 /nfs/dbraw/zinc/98/10/17/911981017.db2.gz ABWROXFGLAALIW-KBPBESRZSA-N 2 0 267.417 1.607 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001203355390 914968602 /nfs/dbraw/zinc/96/86/02/914968602.db2.gz SDGJAYVELIROAI-UHFFFAOYSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001178502038 915444174 /nfs/dbraw/zinc/44/41/74/915444174.db2.gz HCGCXCNBXVSASR-MRXNPFEDSA-N 2 0 293.455 1.780 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001178612213 915536401 /nfs/dbraw/zinc/53/64/01/915536401.db2.gz LWAISGGYKOLEIT-HNNXBMFYSA-N 2 0 299.434 1.566 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178689709 915564346 /nfs/dbraw/zinc/56/43/46/915564346.db2.gz WOHMFWXIPCBWHW-JYJNAYRXSA-N 2 0 291.439 1.462 20 30 CDEDRP C[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+]1CCCCC1 ZINC000691601325 915684150 /nfs/dbraw/zinc/68/41/50/915684150.db2.gz LILFJDAKQWSGAJ-KGLIPLIRSA-N 2 0 280.416 1.388 20 30 CDEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179439615 915834447 /nfs/dbraw/zinc/83/44/47/915834447.db2.gz TUFOIDSIGGPREE-GJZGRUSLSA-N 2 0 297.443 1.110 20 30 CDEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001180898900 916709683 /nfs/dbraw/zinc/70/96/83/916709683.db2.gz GNBWMNRDZNWLBQ-BFYDXBDKSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001182410232 917841604 /nfs/dbraw/zinc/84/16/04/917841604.db2.gz IIWUNCDJPPOLFF-GDBMZVCRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646731 918552555 /nfs/dbraw/zinc/55/25/55/918552555.db2.gz SSXQLHBWJXBKLX-NVXWUHKLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203577021 918687394 /nfs/dbraw/zinc/68/73/94/918687394.db2.gz MPPAIDWFYKMKJL-GJZGRUSLSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185084113 919416236 /nfs/dbraw/zinc/41/62/36/919416236.db2.gz JKOCDHBUPFCVGB-JKSUJKDBSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCN1CC[C@]2(CC[N@@H+](Cc3cnccc3N)C2)C1=O ZINC001272808326 919417117 /nfs/dbraw/zinc/41/71/17/919417117.db2.gz OZIBUZVZZJBJAR-INIZCTEOSA-N 2 0 286.379 1.105 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185384908 919566476 /nfs/dbraw/zinc/56/64/76/919566476.db2.gz FYKRCIXXVLYHHO-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001185761388 919742836 /nfs/dbraw/zinc/74/28/36/919742836.db2.gz GVVJPIDFJLNKDQ-GJZGRUSLSA-N 2 0 281.444 1.587 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001185750968 919755475 /nfs/dbraw/zinc/75/54/75/919755475.db2.gz NDJYDHXZVXVQEO-JKSUJKDBSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190664840 922110152 /nfs/dbraw/zinc/11/01/52/922110152.db2.gz HCPJJGQBPDCDIM-LSDHHAIUSA-N 2 0 279.428 1.435 20 30 CDEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001098219480 936746624 /nfs/dbraw/zinc/74/66/24/936746624.db2.gz GONYVDVRUYOKGK-FPCVCCKLSA-N 2 0 289.423 1.073 20 30 CDEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203729249 922282282 /nfs/dbraw/zinc/28/22/82/922282282.db2.gz FAOGBEDLCXLONS-LSDHHAIUSA-N 2 0 289.423 1.123 20 30 CDEDRP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCN2C)C1 ZINC001098760743 936761040 /nfs/dbraw/zinc/76/10/40/936761040.db2.gz IAWIGHUWDNEHBE-ZOBUZTSGSA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001192354496 923029709 /nfs/dbraw/zinc/02/97/09/923029709.db2.gz LZBTYFLZSAHBAK-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194070707 924049873 /nfs/dbraw/zinc/04/98/73/924049873.db2.gz ANMKGZRQXQKTKV-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194229094 924107609 /nfs/dbraw/zinc/10/76/09/924107609.db2.gz VATDLISWCMSIQK-MRXNPFEDSA-N 2 0 291.439 1.418 20 30 CDEDRP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001194266674 924139721 /nfs/dbraw/zinc/13/97/21/924139721.db2.gz XZFPKKWDNLRSJD-JKSUJKDBSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001080552805 924593281 /nfs/dbraw/zinc/59/32/81/924593281.db2.gz LBTSMLMQLUJOID-OAGGEKHMSA-N 2 0 293.455 1.872 20 30 CDEDRP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001080999033 924670476 /nfs/dbraw/zinc/67/04/76/924670476.db2.gz ZDTDZNBZVNBQNJ-OAGGEKHMSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1C ZINC001082572725 924960731 /nfs/dbraw/zinc/96/07/31/924960731.db2.gz UYZCMDGSDYIJKB-HKUMRIAESA-N 2 0 274.368 1.136 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001082724812 924988864 /nfs/dbraw/zinc/98/88/64/924988864.db2.gz LRICCPLLDRCMPC-RBSFLKMASA-N 2 0 281.444 1.585 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001082741207 924990600 /nfs/dbraw/zinc/99/06/00/924990600.db2.gz SOQLVIYHVWRMPZ-HZSPNIEDSA-N 2 0 265.401 1.093 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001084455294 925258190 /nfs/dbraw/zinc/25/81/90/925258190.db2.gz OOIMKKXPKFRILG-OWCLPIDISA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001084455876 925261408 /nfs/dbraw/zinc/26/14/08/925261408.db2.gz MSSAONYCAOEYIA-RBSFLKMASA-N 2 0 277.412 1.189 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC)CC1 ZINC001085432742 925953070 /nfs/dbraw/zinc/95/30/70/925953070.db2.gz OCDAIJLWVWSEFB-HZPDHXFCSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001201066144 926188749 /nfs/dbraw/zinc/18/87/49/926188749.db2.gz GOERVUXYKUFUOF-UHFFFAOYSA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514686 937062336 /nfs/dbraw/zinc/06/23/36/937062336.db2.gz IVJGMIZNSCFOTG-BZUAXINKSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203324345 926234816 /nfs/dbraw/zinc/23/48/16/926234816.db2.gz HEXUZRJDCYEHDT-GJZGRUSLSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001410897071 926747602 /nfs/dbraw/zinc/74/76/02/926747602.db2.gz YMAMFLXMFHQOAP-STQMWFEESA-N 2 0 287.835 1.660 20 30 CDEDRP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001110684464 928205220 /nfs/dbraw/zinc/20/52/20/928205220.db2.gz LJKQDHGVFCYUST-FPCVCCKLSA-N 2 0 289.423 1.216 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153381252 928980226 /nfs/dbraw/zinc/98/02/26/928980226.db2.gz HIFHRVSJYCHQNS-ZBFHGGJFSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001159148911 929695842 /nfs/dbraw/zinc/69/58/42/929695842.db2.gz OSWSRVDLAZNZQU-CQSZACIVSA-N 2 0 287.423 1.728 20 30 CDEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863691 930507823 /nfs/dbraw/zinc/50/78/23/930507823.db2.gz XVSCXINCKRFPDT-RBSFLKMASA-N 2 0 281.444 1.777 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938878 930550387 /nfs/dbraw/zinc/55/03/87/930550387.db2.gz PXJSPFBGGLXZST-CHWSQXEVSA-N 2 0 299.846 1.708 20 30 CDEDRP [NH3+]CCC[C@@H]([NH3+])Nc1cc(/C=N/O)cc(C(F)(F)F)c1 ZINC001170901328 930701812 /nfs/dbraw/zinc/70/18/12/930701812.db2.gz ZJCFHQNTTGPMJJ-TUVHXFJTSA-N 2 0 290.289 1.949 20 30 CDEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246138073 931097428 /nfs/dbraw/zinc/09/74/28/931097428.db2.gz AJFVHPBOJCXUFI-KBPBESRZSA-N 2 0 251.418 1.805 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153909929 937482780 /nfs/dbraw/zinc/48/27/80/937482780.db2.gz FHQPTZCDFWGUSW-CABCVRRESA-N 2 0 281.444 1.423 20 30 CDEDRP C=CCCC[N@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001274964446 931618003 /nfs/dbraw/zinc/61/80/03/931618003.db2.gz MLJDRWRFULFKIO-UHFFFAOYSA-N 2 0 265.445 1.912 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171174746 931799666 /nfs/dbraw/zinc/79/96/66/931799666.db2.gz PELWPDBHTMYVAI-CABCVRRESA-N 2 0 281.444 1.779 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCF)CC1 ZINC001146614551 932271528 /nfs/dbraw/zinc/27/15/28/932271528.db2.gz YJEMASAPZPSSTI-KGLIPLIRSA-N 2 0 297.418 1.174 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147894008 932622548 /nfs/dbraw/zinc/62/25/48/932622548.db2.gz XUNPRYTWSCRFLQ-CYBMUJFWSA-N 2 0 253.390 1.000 20 30 CDEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001008983618 935417958 /nfs/dbraw/zinc/41/79/58/935417958.db2.gz XWVNPESXQFKYPF-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001097085405 936265435 /nfs/dbraw/zinc/26/54/35/936265435.db2.gz FTUOXRDDEPXROC-FPCVCCKLSA-N 2 0 289.423 1.236 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001121930599 937891477 /nfs/dbraw/zinc/89/14/77/937891477.db2.gz NTGRJBCEMWAOFL-CABCVRRESA-N 2 0 279.428 1.661 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109327 938455039 /nfs/dbraw/zinc/45/50/39/938455039.db2.gz NAVJZOPWWCEQPA-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158030729 938576570 /nfs/dbraw/zinc/57/65/70/938576570.db2.gz XITNXDUGPXKOID-ZIAGYGMSSA-N 2 0 265.401 1.143 20 30 CDEDRP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158449843 938626851 /nfs/dbraw/zinc/62/68/51/938626851.db2.gz HOGUHPTUIIGNNN-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160866398 938834389 /nfs/dbraw/zinc/83/43/89/938834389.db2.gz BKLCRNXGOGWHRS-CABCVRRESA-N 2 0 277.412 1.123 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160870283 938834810 /nfs/dbraw/zinc/83/48/10/938834810.db2.gz WYAAASYQHKJPGG-GJZGRUSLSA-N 2 0 277.412 1.123 20 30 CDEDRP CN(C)/C=[NH+]/c1ccc(-n2ccnc2CC[NH3+])cc1C#N ZINC001166369947 939606429 /nfs/dbraw/zinc/60/64/29/939606429.db2.gz OZNROTGQUDKJHD-YBFXNURJSA-N 2 0 282.351 1.467 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001166446192 939608939 /nfs/dbraw/zinc/60/89/39/939608939.db2.gz AFWVRTFLOWFLIU-AWEZNQCLSA-N 2 0 267.417 1.226 20 30 CDEDRP C#CCOc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001205221973 939838355 /nfs/dbraw/zinc/83/83/55/939838355.db2.gz YROYAXGQZJWLCQ-QGZVFWFLSA-N 2 0 288.391 1.374 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001206079420 939976912 /nfs/dbraw/zinc/97/69/12/939976912.db2.gz FXZZPMSVLSXJCW-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001207263511 940173604 /nfs/dbraw/zinc/17/36/04/940173604.db2.gz UTGMEGSQOWMZBY-HZSPNIEDSA-N 2 0 285.407 1.289 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207551128 940214712 /nfs/dbraw/zinc/21/47/12/940214712.db2.gz UONUGKFSZKNMKP-FVQBIDKESA-N 2 0 293.455 1.729 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001208334514 940320352 /nfs/dbraw/zinc/32/03/52/940320352.db2.gz JGLOZLAYYBMQTI-CABCVRRESA-N 2 0 279.428 1.483 20 30 CDEDRP Cn1cc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)cc1C#N ZINC001276607970 940423439 /nfs/dbraw/zinc/42/34/39/940423439.db2.gz IDNBTTJLLUFARM-UHFFFAOYSA-N 2 0 272.396 1.814 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210482484 940693345 /nfs/dbraw/zinc/69/33/45/940693345.db2.gz NUHCLKJCULJCAC-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210790145 940713614 /nfs/dbraw/zinc/71/36/14/940713614.db2.gz VFNXSHWWVYTXSC-HNNXBMFYSA-N 2 0 279.428 1.322 20 30 CDEDRP N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000402186256 940890668 /nfs/dbraw/zinc/89/06/68/940890668.db2.gz ZSFGXUIOJSABKD-HIFRSBDPSA-N 2 0 259.353 1.262 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216225584 940929132 /nfs/dbraw/zinc/92/91/32/940929132.db2.gz HIEMVGGJUIKLMH-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C[C@H](CNC(=O)NCC#CC[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC001220627303 941459714 /nfs/dbraw/zinc/45/97/14/941459714.db2.gz XKQFXTFMRWVKQB-HUUCEWRRSA-N 2 0 294.443 1.114 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001228595304 942339190 /nfs/dbraw/zinc/33/91/90/942339190.db2.gz UQSCFUDAZHDHPW-ARFHVFGLSA-N 2 0 291.439 1.511 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230284422 942601138 /nfs/dbraw/zinc/60/11/38/942601138.db2.gz DUHNYJRNWFETCK-HUUCEWRRSA-N 2 0 281.444 1.920 20 30 CDEDRP C#CC[NH2+]CC(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001263093254 943741414 /nfs/dbraw/zinc/74/14/14/943741414.db2.gz UZLFVBXXCKJKTE-INIZCTEOSA-N 2 0 287.407 1.191 20 30 CDEDRP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](CCCC[NH3+])C2 ZINC001235521410 944186349 /nfs/dbraw/zinc/18/63/49/944186349.db2.gz HFJQOBJQQAWXGG-CVEARBPZSA-N 2 0 282.428 1.799 20 30 CDEDRP N#Cc1ccc(CCC[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1 ZINC001235991946 944357087 /nfs/dbraw/zinc/35/70/87/944357087.db2.gz IXASENBLUKKSIM-SJPCQFCGSA-N 2 0 285.391 1.396 20 30 CDEDRP N#CCc1ccccc1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235999410 944368452 /nfs/dbraw/zinc/36/84/52/944368452.db2.gz DPNAYTCSLOWQJM-XYPWUTKMSA-N 2 0 271.364 1.158 20 30 CDEDRP C=CC[NH2+]CCN1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001236060889 944398116 /nfs/dbraw/zinc/39/81/16/944398116.db2.gz SPVSYATWUCONDE-QGZVFWFLSA-N 2 0 271.408 1.677 20 30 CDEDRP C=CCCCNC(=S)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239361470 945430125 /nfs/dbraw/zinc/43/01/25/945430125.db2.gz FVDNULLSNJOMTR-CYBMUJFWSA-N 2 0 296.484 1.291 20 30 CDEDRP N#CC1(c2ccc(F)cc2)CCC([NH2+]C[C@@H](O)C[NH3+])CC1 ZINC001254346080 947383868 /nfs/dbraw/zinc/38/38/68/947383868.db2.gz JBNZKYZLJWEAAB-PCKAHOCUSA-N 2 0 291.370 1.439 20 30 CDEDRP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC001254646501 947568074 /nfs/dbraw/zinc/56/80/74/947568074.db2.gz BAPGPXJKMSKHJJ-LVQVYYBASA-N 2 0 277.412 1.912 20 30 CDEDRP N#Cc1c2c(cnc1-c1ccncc1C[NH3+])C[NH2+]CCC2 ZINC001245554909 947746428 /nfs/dbraw/zinc/74/64/28/947746428.db2.gz DEXATIYQTYBXMH-UHFFFAOYSA-N 2 0 279.347 1.510 20 30 CDEDRP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(C#N)cc2)CC[NH2+]1 ZINC001246332119 948111592 /nfs/dbraw/zinc/11/15/92/948111592.db2.gz ZLGYPBFZYIKFAY-JSGCOSHPSA-N 2 0 259.353 1.667 20 30 CDEDRP C=C[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246488113 948200773 /nfs/dbraw/zinc/20/07/73/948200773.db2.gz HWBASMZVVVDHKJ-HUUCEWRRSA-N 2 0 257.381 1.597 20 30 CDEDRP C=C1C[C@@H]2CC([NH2+][C@@H](CCCC[NH3+])C(=O)NC)C[C@H](C1)C2 ZINC001246513049 948218072 /nfs/dbraw/zinc/21/80/72/948218072.db2.gz QAXHNLBGLCHFHM-QXULXFAOSA-N 2 0 293.455 1.955 20 30 CDEDRP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246541377 948244697 /nfs/dbraw/zinc/24/46/97/948244697.db2.gz HCBUCXOOIXFWLN-WMLDXEAASA-N 2 0 287.407 1.665 20 30 CDEDRP C=CCC[C@H](C)[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246853969 948478770 /nfs/dbraw/zinc/47/87/70/948478770.db2.gz AQSDYIIWACWZBW-SQWLQELKSA-N 2 0 280.412 1.816 20 30 CDEDRP C=CCC[C@H](C)[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246860055 948485596 /nfs/dbraw/zinc/48/55/96/948485596.db2.gz RPFHLJVSZOIDKU-SVZOTFJBSA-N 2 0 292.423 1.672 20 30 CDEDRP C#CCOCCOCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001257210884 948546532 /nfs/dbraw/zinc/54/65/32/948546532.db2.gz ZEVLCUNRTPEOQX-UHFFFAOYSA-N 2 0 268.401 1.115 20 30 CDEDRP Cc1cc(-c2noc(C[C@@H]([NH3+])CCCC[NH3+])n2)ccc1C#N ZINC001248223651 948975971 /nfs/dbraw/zinc/97/59/71/948975971.db2.gz OOAAWQVILAAONJ-AWEZNQCLSA-N 2 0 299.378 1.916 20 30 CDEDRP C=CCOC[C@@H](O)C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001252467053 951311152 /nfs/dbraw/zinc/31/11/52/951311152.db2.gz VELPNXCGTKGHQN-INIZCTEOSA-N 2 0 284.444 1.602 20 30 CDEDRP N#Cc1cccnc1NCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001325239469 953788201 /nfs/dbraw/zinc/78/82/01/953788201.db2.gz MUEIXPJWCRSCOX-LSDHHAIUSA-N 2 0 285.395 1.582 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N(C)[C@H](C)C[NH3+] ZINC001335263558 959670094 /nfs/dbraw/zinc/67/00/94/959670094.db2.gz IRDOQQZVBFDFTN-OLZOCXBDSA-N 2 0 257.422 1.870 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001370269583 960037585 /nfs/dbraw/zinc/03/75/85/960037585.db2.gz YUZKMSKTCIOAQQ-OLZOCXBDSA-N 2 0 287.835 1.564 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001340028200 962694927 /nfs/dbraw/zinc/69/49/27/962694927.db2.gz YWTFMKVWUGBZRB-KFWWJZLASA-N 2 0 297.443 1.286 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC001340056711 962713152 /nfs/dbraw/zinc/71/31/52/962713152.db2.gz OPMFDBKISTXIDQ-ZIAGYGMSSA-N 2 0 267.417 1.517 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC001340853570 963155303 /nfs/dbraw/zinc/15/53/03/963155303.db2.gz OCCWLWIGDXRSRA-WCQYABFASA-N 2 0 253.390 1.269 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001449021303 967337028 /nfs/dbraw/zinc/33/70/28/967337028.db2.gz KMNACCXRNWEHPW-OLZOCXBDSA-N 2 0 299.846 1.660 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001353494467 968016970 /nfs/dbraw/zinc/01/69/70/968016970.db2.gz DRWHDJUUFHHDCJ-IHRRRGAJSA-N 2 0 265.401 1.413 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001100378369 968167426 /nfs/dbraw/zinc/16/74/26/968167426.db2.gz XBDCDDCEVRDCTH-RUXDESIVSA-N 2 0 285.407 1.337 20 30 CDEDRP C#CCOc1ccccc1CNCCC[NH2+]C1CC1 ZINC001574746898 1171002541 /nfs/dbraw/zinc/00/25/41/1171002541.db2.gz RUDZCENFARVPGV-UHFFFAOYSA-N 2 0 258.365 1.930 20 30 CDEDRP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)N1CC[NH+](C)CC1 ZINC000442723100 362083457 /nfs/dbraw/zinc/08/34/57/362083457.db2.gz WTWUDDLVOQGFMR-XHSDSOJGSA-N 2 0 278.444 1.540 20 30 CDEDRP COCCNC(=[NH2+])NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000081780962 342373633 /nfs/dbraw/zinc/37/36/33/342373633.db2.gz IPYVPSMYSOUMFY-CQSZACIVSA-N 2 0 292.427 1.448 20 30 CDEDRP CN(CCC[NH+]1CCCC1)Cc1ccnc(C#N)c1 ZINC000619622482 349823736 /nfs/dbraw/zinc/82/37/36/349823736.db2.gz FCCNQLQNABJHQZ-UHFFFAOYSA-N 2 0 258.369 1.871 20 30 CDEDRP C[NH+](C)CCC1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598585588 343834568 /nfs/dbraw/zinc/83/45/68/343834568.db2.gz GJOJFERWOFESPK-OAHLLOKOSA-N 2 0 281.444 1.951 20 30 CDEDRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598718387 343882778 /nfs/dbraw/zinc/88/27/78/343882778.db2.gz AVASOMSYCUSHIS-KGLIPLIRSA-N 2 0 267.417 1.609 20 30 CDEDRP COCCC[NH+]1CCC([NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598720531 343883829 /nfs/dbraw/zinc/88/38/29/343883829.db2.gz OJDRUVRVTQRVIP-OAHLLOKOSA-N 2 0 297.443 1.378 20 30 CDEDRP C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C(C)(C)C[NH+](C)C ZINC000598722111 343884271 /nfs/dbraw/zinc/88/42/71/343884271.db2.gz ZDVSRLFLLHLDNJ-OLZOCXBDSA-N 2 0 269.433 1.853 20 30 CDEDRP CC(C)(C#N)C[C@H](O)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000598728347 343887084 /nfs/dbraw/zinc/88/70/84/343887084.db2.gz BCLAGZAPLYNOSV-INIZCTEOSA-N 2 0 293.455 1.999 20 30 CDEDRP C[C@H](CCC#N)C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000602508294 344457813 /nfs/dbraw/zinc/45/78/13/344457813.db2.gz LWIONNDEDBNHRX-CQSZACIVSA-N 2 0 266.433 1.542 20 30 CDEDRP CC(C)[NH+]1CCC([NH2+]C2CCN(CC#N)CC2)CC1 ZINC000610813709 346444588 /nfs/dbraw/zinc/44/45/88/346444588.db2.gz QKKQVPXLZVBWDE-UHFFFAOYSA-N 2 0 264.417 1.437 20 30 CDEDRP CNC(=[NH2+])NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264088931 362964205 /nfs/dbraw/zinc/96/42/05/362964205.db2.gz KJRUIXWZXNALGE-AWEZNQCLSA-N 2 0 260.385 1.085 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccccc2C)CC1 ZINC000295158929 199378454 /nfs/dbraw/zinc/37/84/54/199378454.db2.gz KHODLCXWAHTKFG-MRXNPFEDSA-N 2 0 287.407 1.761 20 30 CDEDRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000358189473 356638482 /nfs/dbraw/zinc/63/84/82/356638482.db2.gz MQVMZLHNEVSGSG-XJKSGUPXSA-N 2 0 273.380 1.867 20 30 CDEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CCN1CC[NH2+]CC1)CC2 ZINC000423199793 283198144 /nfs/dbraw/zinc/19/81/44/283198144.db2.gz CSCCIOKCLLGWRC-MRXNPFEDSA-N 2 0 270.380 1.040 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C(C)C ZINC000236684735 358798548 /nfs/dbraw/zinc/79/85/48/358798548.db2.gz ZKETVNLKVABJOF-BZUAXINKSA-N 2 0 293.455 1.929 20 30 CDEDRP C[NH+]1CCC(CCNC(=[NH2+])Nc2ccccn2)CC1 ZINC000170911813 365162215 /nfs/dbraw/zinc/16/22/15/365162215.db2.gz IHMMKWWPHSEBDG-UHFFFAOYSA-N 2 0 261.373 1.540 20 30 CDEDRP CNC(=[NH2+])NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290627395 371281283 /nfs/dbraw/zinc/28/12/83/371281283.db2.gz KYWVBLDMHWLLJZ-OAHLLOKOSA-N 2 0 274.412 1.823 20 30 CDEDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000176947660 372091298 /nfs/dbraw/zinc/09/12/98/372091298.db2.gz LIIPFHZZPCSREY-ZDUSSCGKSA-N 2 0 292.452 1.735 20 30 CDEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](CCO)CC2)c(F)c1 ZINC000075602797 374193316 /nfs/dbraw/zinc/19/33/16/374193316.db2.gz FEEXVXVYBUHIDO-UHFFFAOYSA-N 2 0 291.370 1.491 20 30 CDEDRP C=CC[N@@H+](CCc1ccccc1)CCN1CC[NH2+]CC1 ZINC000420320464 376317811 /nfs/dbraw/zinc/31/78/11/376317811.db2.gz QGMCRNGGKBBEFO-UHFFFAOYSA-N 2 0 273.424 1.622 20 30 CDEDRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NCC#N)CC1 ZINC000066664776 376671793 /nfs/dbraw/zinc/67/17/93/376671793.db2.gz XEYNXNFALFTDHW-UHFFFAOYSA-N 2 0 280.416 1.070 20 30 CDEDRP C[C@@H](CCNC1=[NH+]CCN1C)[N@H+](C)Cc1ccccc1 ZINC000284926586 377724353 /nfs/dbraw/zinc/72/43/53/377724353.db2.gz CGXAOOKTQIXGRU-AWEZNQCLSA-N 2 0 274.412 1.788 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417521530 377818393 /nfs/dbraw/zinc/81/83/93/377818393.db2.gz FMEYGLCINLWATN-ZFWWWQNUSA-N 2 0 294.443 1.454 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH2+]C)C2)CC1 ZINC000417536096 377896586 /nfs/dbraw/zinc/89/65/86/377896586.db2.gz XPUYKIMVWIVRBS-CQSZACIVSA-N 2 0 280.416 1.030 20 30 CDEDRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174267552 379425119 /nfs/dbraw/zinc/42/51/19/379425119.db2.gz WBCQLHMLKYNOIW-UHFFFAOYSA-N 2 0 276.384 1.268 20 30 CDEDRP Cc1cc(C[NH2+]CC2CC[NH+](CCO)CC2)ccc1C#N ZINC000487866626 252912340 /nfs/dbraw/zinc/91/23/40/252912340.db2.gz CPRWYRXQMYHJQP-UHFFFAOYSA-N 2 0 287.407 1.661 20 30 CDEDRP C=CC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000363790830 390494875 /nfs/dbraw/zinc/49/48/75/390494875.db2.gz GRXJJPYXEAOGLC-UHFFFAOYSA-N 2 0 251.418 1.522 20 30 CDEDRP C[N@H+](CCCNC(=[NH2+])NC1CC1)Cc1ccccc1 ZINC000050165483 390818648 /nfs/dbraw/zinc/81/86/48/390818648.db2.gz LJVDVLSQLMUOMU-UHFFFAOYSA-N 2 0 260.385 1.575 20 30 CDEDRP CN(CCC#N)C(=O)CC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000131724485 393069733 /nfs/dbraw/zinc/06/97/33/393069733.db2.gz YVEOUFCPIVRMKR-OAHLLOKOSA-N 2 0 294.443 1.555 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000065407687 393400430 /nfs/dbraw/zinc/40/04/30/393400430.db2.gz KGRCQISMMGYUPR-UHFFFAOYSA-N 2 0 291.439 1.180 20 30 CDEDRP COc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1C#N ZINC000234997895 165046645 /nfs/dbraw/zinc/04/66/45/165046645.db2.gz RAYKYRQRITWGTN-BXUZGUMPSA-N 2 0 259.353 1.736 20 30 CDEDRP C[NH+]1CCN(CCC[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000020128370 171014531 /nfs/dbraw/zinc/01/45/31/171014531.db2.gz AAMDORKKLFUODI-UHFFFAOYSA-N 2 0 272.396 1.285 20 30 CDEDRP CN(C)C(=[NH2+])NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000170913747 261450387 /nfs/dbraw/zinc/45/03/87/261450387.db2.gz FPCWBJPHVFARGP-UHFFFAOYSA-N 2 0 289.427 1.075 20 30 CDEDRP C#CC[NH+](C)CCCNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000491765416 262017517 /nfs/dbraw/zinc/01/75/17/262017517.db2.gz DDAGSUMVUJPZJX-ZNMIVQPWSA-N 2 0 279.428 1.319 20 30 CDEDRP C=CC[N@@H+](CCC[NH3+])[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000414747492 263037609 /nfs/dbraw/zinc/03/76/09/263037609.db2.gz ULHYFNSRXIWEIL-ZDUSSCGKSA-N 2 0 286.383 1.560 20 30 CDEDRP C=CCN1CC[C@H]([N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])C1=O ZINC000652356033 424304118 /nfs/dbraw/zinc/30/41/18/424304118.db2.gz QPSILHLKMOGELR-IHRRRGAJSA-N 2 0 265.401 1.223 20 30 CDEDRP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001671753956 1173710147 /nfs/dbraw/zinc/71/01/47/1173710147.db2.gz VPKSFCUMRNAYPY-ZBFHGGJFSA-N 2 0 281.444 1.731 20 30 CDEDRP CN(CCCNC(=[NH2+])Nc1ccccc1)CC[NH+](C)C ZINC000288763374 328253690 /nfs/dbraw/zinc/25/36/90/328253690.db2.gz SUVDGYWBNKWPCM-UHFFFAOYSA-N 2 0 277.416 1.297 20 30 CDEDRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185880690 329334437 /nfs/dbraw/zinc/33/44/37/329334437.db2.gz IUGLZGLIBXDYQE-LSDHHAIUSA-N 2 0 264.417 1.296 20 30 CDEDRP C[C@H]1C[NH+]=C(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)N1 ZINC000261579314 329971773 /nfs/dbraw/zinc/97/17/73/329971773.db2.gz PKYMDMFFRPRKNI-MBNYWOFBSA-N 2 0 252.406 1.434 20 30 CDEDRP CSC1(CNC(=[NH2+])N2CCC[C@@H](C)C2)CC[NH+](C)CC1 ZINC000262356040 330007863 /nfs/dbraw/zinc/00/78/63/330007863.db2.gz HMXAIPPBFHGHQI-CYBMUJFWSA-N 2 0 298.500 1.860 20 30 CDEDRP CC(C)C[N@@H+]1CCC[C@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000262655380 330024811 /nfs/dbraw/zinc/02/48/11/330024811.db2.gz LLSRVYCCNQALBI-QWHCGFSZSA-N 2 0 252.406 1.292 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CCC1(C)C ZINC000263190206 330048438 /nfs/dbraw/zinc/04/84/38/330048438.db2.gz YDMMMXRZWLOXPO-VXGBXAGGSA-N 2 0 252.406 1.564 20 30 CDEDRP N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](CN3CCOCC3)C2)C1 ZINC000429682903 330059420 /nfs/dbraw/zinc/05/94/20/330059420.db2.gz HNZXYHZEBKKBSO-RBSFLKMASA-N 2 0 263.385 1.333 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)NCc1cccc(-c2ncc[nH]2)c1 ZINC000424176472 330316530 /nfs/dbraw/zinc/31/65/30/330316530.db2.gz RYJWPORRAIWLII-CQSZACIVSA-N 2 0 297.362 1.714 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CC[NH2+]1)C(C)C ZINC000444182672 330811103 /nfs/dbraw/zinc/81/11/03/330811103.db2.gz LLUURMLXPMMNCD-KGLIPLIRSA-N 2 0 265.401 1.163 20 30 CDEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000249049890 334325749 /nfs/dbraw/zinc/32/57/49/334325749.db2.gz XGAHMHVFXOUYBM-RBSFLKMASA-N 2 0 264.417 1.294 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132107083 1163174447 /nfs/dbraw/zinc/17/44/47/1163174447.db2.gz XQQGSSBWZJGVMD-CABCVRRESA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001755319594 1185913381 /nfs/dbraw/zinc/91/33/81/1185913381.db2.gz JQEGSNQNMIIPTO-LSDHHAIUSA-N 2 0 279.428 1.319 20 30 CDEDRP C=CC[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C ZINC001755831789 1186083807 /nfs/dbraw/zinc/08/38/07/1186083807.db2.gz YQXJRIVDPKNAJJ-AWEZNQCLSA-N 2 0 281.444 1.635 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000353777314 526445086 /nfs/dbraw/zinc/44/50/86/526445086.db2.gz XQTGJNVIDULJKO-INIZCTEOSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001690103799 1175376703 /nfs/dbraw/zinc/37/67/03/1175376703.db2.gz VQCDMURXOQMAKC-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000981272904 612958393 /nfs/dbraw/zinc/95/83/93/612958393.db2.gz SYHFKIWIIBMWEE-CABCVRRESA-N 2 0 291.439 1.511 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000970454255 612962931 /nfs/dbraw/zinc/96/29/31/612962931.db2.gz BQWXLFFGGPHYPC-SJLPKXTDSA-N 2 0 299.418 1.287 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000972154945 613091758 /nfs/dbraw/zinc/09/17/58/613091758.db2.gz RCHARRQUWTVNLG-CVEARBPZSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCC)C2)CC1 ZINC000980479229 613129802 /nfs/dbraw/zinc/12/98/02/613129802.db2.gz UYMMRCLBFFABSI-INIZCTEOSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CC)CC2(C)C)CC1 ZINC000977660321 613132136 /nfs/dbraw/zinc/13/21/36/613132136.db2.gz YSZPPQBTDITYAP-HNNXBMFYSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947778404 613224405 /nfs/dbraw/zinc/22/44/05/613224405.db2.gz CJMRBBATAXRJPW-GDBMZVCRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC000960580178 613280553 /nfs/dbraw/zinc/28/05/53/613280553.db2.gz OPFWCKKRWVIRTJ-QXSJWSMHSA-N 2 0 291.439 1.483 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939063795 613349915 /nfs/dbraw/zinc/34/99/15/613349915.db2.gz MBKLIGJLLTXVNC-UKRRQHHQSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCC[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000981742545 613491613 /nfs/dbraw/zinc/49/16/13/613491613.db2.gz GHLBNFRRXZPFLN-UHFFFAOYSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000948246110 613499890 /nfs/dbraw/zinc/49/98/90/613499890.db2.gz VPGFXBNNEPNMTP-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000972330843 613612032 /nfs/dbraw/zinc/61/20/32/613612032.db2.gz IBULEJCKVYUPEV-UONOGXRCSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CC[NH+]1CC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000970047403 613668125 /nfs/dbraw/zinc/66/81/25/613668125.db2.gz JILFXUVZMBJVNJ-ZDUSSCGKSA-N 2 0 277.412 1.237 20 30 CDEDRP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC000982013526 613680606 /nfs/dbraw/zinc/68/06/06/613680606.db2.gz UMGGLGWOUVEBTJ-GJZGRUSLSA-N 2 0 291.439 1.295 20 30 CDEDRP CC(C)NC(=[NH2+])NCCC[N@@H+]1CCc2ccccc2C1 ZINC000104168670 617483800 /nfs/dbraw/zinc/48/38/00/617483800.db2.gz JLFDNOIAWVRLGQ-UHFFFAOYSA-N 2 0 274.412 1.748 20 30 CDEDRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000894374602 618831647 /nfs/dbraw/zinc/83/16/47/618831647.db2.gz CTKXHZWWVJYWGZ-UHFFFAOYSA-N 2 0 287.411 1.070 20 30 CDEDRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC(C)C)C1 ZINC000157399727 630598014 /nfs/dbraw/zinc/59/80/14/630598014.db2.gz PKECDENBDVTTCO-ZDUSSCGKSA-N 2 0 254.422 1.667 20 30 CDEDRP C=C(C)C[C@@H](CO)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000883389045 683634186 /nfs/dbraw/zinc/63/41/86/683634186.db2.gz JGJPRKQVIYBSEM-HNNXBMFYSA-N 2 0 252.402 1.778 20 30 CDEDRP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001028580087 679720033 /nfs/dbraw/zinc/72/00/33/679720033.db2.gz PPPLGIIUSQSKJQ-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001024447028 679764949 /nfs/dbraw/zinc/76/49/49/679764949.db2.gz OVZDPXUOGSWVLM-OWCLPIDISA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001052255242 679765273 /nfs/dbraw/zinc/76/52/73/679765273.db2.gz XYXBHOFHRKFLSE-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP CCNC(NCCCCC[NH+]1CCCC1)=[NH+]CC ZINC000849033448 679765563 /nfs/dbraw/zinc/76/55/63/679765563.db2.gz LCAQWYCRNVRAIJ-UHFFFAOYSA-N 2 0 254.422 1.828 20 30 CDEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001041632762 679766436 /nfs/dbraw/zinc/76/64/36/679766436.db2.gz NIXNYDABTUSIIF-KRWDZBQOSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2cncc2C)C[C@H]1C ZINC001036113824 679764007 /nfs/dbraw/zinc/76/40/07/679764007.db2.gz TYGAEQNNWWVAFP-TZMCWYRMSA-N 2 0 276.384 1.204 20 30 CDEDRP C=C(Cl)CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009505490 679777671 /nfs/dbraw/zinc/77/76/71/679777671.db2.gz BQOCXNJIZKOCPR-CHWSQXEVSA-N 2 0 285.819 1.271 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032044069 679801366 /nfs/dbraw/zinc/80/13/66/679801366.db2.gz PLGUTGIHSXSSNU-CABCVRRESA-N 2 0 277.412 1.237 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000987294031 679802582 /nfs/dbraw/zinc/80/25/82/679802582.db2.gz QFAVGVTUQPKWES-ZBFHGGJFSA-N 2 0 291.439 1.319 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001023273523 679803419 /nfs/dbraw/zinc/80/34/19/679803419.db2.gz NLPIQTZKOWFRHT-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001020145330 679809474 /nfs/dbraw/zinc/80/94/74/679809474.db2.gz LSYJYXMAHWOSHI-IHRRRGAJSA-N 2 0 299.846 1.849 20 30 CDEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000997736620 679836309 /nfs/dbraw/zinc/83/63/09/679836309.db2.gz SKOFZWXPFCMIEV-AWEZNQCLSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027604336 679837224 /nfs/dbraw/zinc/83/72/24/679837224.db2.gz PAIOVYQMBKTSAN-INIZCTEOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071795945 679844029 /nfs/dbraw/zinc/84/40/29/679844029.db2.gz OISJXWBRPDVZLA-UKRRQHHQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001022278376 679845627 /nfs/dbraw/zinc/84/56/27/679845627.db2.gz MKWLBJHKJVWXTK-XUWVNRHRSA-N 2 0 291.439 1.816 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001018835279 679857916 /nfs/dbraw/zinc/85/79/16/679857916.db2.gz CFAAQJZEJYJYHW-KBPBESRZSA-N 2 0 265.401 1.236 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001052250616 681814888 /nfs/dbraw/zinc/81/48/88/681814888.db2.gz IDKKTKYZFNOZDR-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP COCC[N@H+](C)CCC[NH2+][C@H](C)CC(C)(C)C#N ZINC000924653201 681506105 /nfs/dbraw/zinc/50/61/05/681506105.db2.gz HPGZGALEAWALNT-CYBMUJFWSA-N 2 0 255.406 1.873 20 30 CDEDRP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001026491587 681578843 /nfs/dbraw/zinc/57/88/43/681578843.db2.gz CHBMTEMIRHFZEU-UYSNPLJNSA-N 2 0 291.439 1.509 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028901487 681589596 /nfs/dbraw/zinc/58/95/96/681589596.db2.gz YCAXHDOFHOIHAQ-HNNXBMFYSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000855809506 681604292 /nfs/dbraw/zinc/60/42/92/681604292.db2.gz GVLYAYJZBPSJPL-AWEZNQCLSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001052712927 681615809 /nfs/dbraw/zinc/61/58/09/681615809.db2.gz PVSZHVDCUMXBRP-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP N#Cc1cc(F)ccc1N1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000866704234 681621621 /nfs/dbraw/zinc/62/16/21/681621621.db2.gz RUFFXFYDFATXRZ-ZDUSSCGKSA-N 2 0 288.370 1.429 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc(CN(C)C)on2)C1 ZINC001015028980 681637122 /nfs/dbraw/zinc/63/71/22/681637122.db2.gz SQTKFVQRGNOZLP-GFCCVEGCSA-N 2 0 292.383 1.116 20 30 CDEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])NC[C@@H]1CCC[NH+]1CC ZINC000303968100 681656112 /nfs/dbraw/zinc/65/61/12/681656112.db2.gz AJGTWQORUHUITQ-KGLIPLIRSA-N 3 0 283.464 1.105 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028317279 681685131 /nfs/dbraw/zinc/68/51/31/681685131.db2.gz ZMDWWYZMHYRIDV-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP CC(C)NC(=[NH2+])NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303879652 681731251 /nfs/dbraw/zinc/73/12/51/681731251.db2.gz GSRVODHJKQEHGT-BETUJISGSA-N 2 0 254.422 1.667 20 30 CDEDRP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046564884 681768232 /nfs/dbraw/zinc/76/82/32/681768232.db2.gz HZXWOVGOUWWRNH-DOTOQJQBSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034490357 681787255 /nfs/dbraw/zinc/78/72/55/681787255.db2.gz KXHNYZVBUQXGCS-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCn2ccnc2)C1 ZINC000989266948 681830950 /nfs/dbraw/zinc/83/09/50/681830950.db2.gz PKDAIVJKSYOVPO-UONOGXRCSA-N 2 0 276.384 1.428 20 30 CDEDRP C=CC[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033152671 681833542 /nfs/dbraw/zinc/83/35/42/681833542.db2.gz QUMRGZNMMCNSQY-CVEARBPZSA-N 2 0 293.455 1.968 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001020203781 681839469 /nfs/dbraw/zinc/83/94/69/681839469.db2.gz AFTBUGAJNTZNAN-JOCQHMNTSA-N 2 0 291.420 1.293 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059881 681865602 /nfs/dbraw/zinc/86/56/02/681865602.db2.gz JGQQFPVONXUWLE-JONQDZQNSA-N 2 0 291.439 1.150 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1(C)C ZINC000996669471 681979162 /nfs/dbraw/zinc/97/91/62/681979162.db2.gz GAKQBEBWIFIQNO-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999789399 682015676 /nfs/dbraw/zinc/01/56/76/682015676.db2.gz HDZFKXSSZDPLAZ-CVEARBPZSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001041140414 682155161 /nfs/dbraw/zinc/15/51/61/682155161.db2.gz JOGLPDBZDAQPSH-WBVHZDCISA-N 2 0 291.439 1.581 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000928655815 682212981 /nfs/dbraw/zinc/21/29/81/682212981.db2.gz ZMWUBDUBNAPFKX-HNNXBMFYSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001050140630 682338585 /nfs/dbraw/zinc/33/85/85/682338585.db2.gz MYRJPUDZVKJSBG-OWCLPIDISA-N 2 0 291.439 1.437 20 30 CDEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001076241446 682408762 /nfs/dbraw/zinc/40/87/62/682408762.db2.gz PANMHJWLQCVWPG-OWCLPIDISA-N 2 0 289.423 1.027 20 30 CDEDRP CNC(NC[C@H](C(C)C)[NH+]1CCCCCC1)=[NH+]C ZINC000303266609 682499160 /nfs/dbraw/zinc/49/91/60/682499160.db2.gz WDJCYUMNXSLDEP-CYBMUJFWSA-N 2 0 254.422 1.682 20 30 CDEDRP C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001017616314 682555658 /nfs/dbraw/zinc/55/56/58/682555658.db2.gz AAEHZLKPXBVVDP-XHSDSOJGSA-N 2 0 291.439 1.578 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001022164828 682612455 /nfs/dbraw/zinc/61/24/55/682612455.db2.gz QVEHITQXZMCUFA-QLFBSQMISA-N 2 0 279.428 1.674 20 30 CDEDRP CC(C)NC(=[NH2+])NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000303890500 682626431 /nfs/dbraw/zinc/62/64/31/682626431.db2.gz QDVIVWUUWYWCEV-INIZCTEOSA-N 2 0 288.439 1.864 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(=C)C ZINC001027940369 682700159 /nfs/dbraw/zinc/70/01/59/682700159.db2.gz LDMIQQPYGQOZBU-CVEARBPZSA-N 2 0 289.423 1.241 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001034735859 682738419 /nfs/dbraw/zinc/73/84/19/682738419.db2.gz OCGHVPHGOWNMOU-KKUMJFAQSA-N 2 0 279.428 1.674 20 30 CDEDRP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001054099081 682742702 /nfs/dbraw/zinc/74/27/02/682742702.db2.gz AHVCVTMASLUKRT-DOTOQJQBSA-N 2 0 291.439 1.581 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032960634 682782164 /nfs/dbraw/zinc/78/21/64/682782164.db2.gz YBXMZIOSJWWITO-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032042840 682824453 /nfs/dbraw/zinc/82/44/53/682824453.db2.gz LPSUHYMUQKUREI-HZPDHXFCSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023750408 682838419 /nfs/dbraw/zinc/83/84/19/682838419.db2.gz LUSYDHXUIZJICQ-JKSUJKDBSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993762662 683112378 /nfs/dbraw/zinc/11/23/78/683112378.db2.gz QUKQPMUSLGXDNG-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP N#Cc1ccc(NCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000925893196 683208210 /nfs/dbraw/zinc/20/82/10/683208210.db2.gz MVBCVADNHBWGFV-RRFJBIMHSA-N 2 0 285.395 1.343 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001824400 683232423 /nfs/dbraw/zinc/23/24/23/683232423.db2.gz FSLHDHKUZXPNRR-GDBMZVCRSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CC[C@@H](CO)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000883124555 683233974 /nfs/dbraw/zinc/23/39/74/683233974.db2.gz KAXWKAHKJMDLCL-AWEZNQCLSA-N 2 0 270.336 1.050 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031729607 683236722 /nfs/dbraw/zinc/23/67/22/683236722.db2.gz RBGCOFXFQPAKHR-MRXNPFEDSA-N 2 0 293.455 1.588 20 30 CDEDRP C[NH+]1CCN(c2ccc(C=[NH+]N[C@@H]3CCOC3)cc2)CC1 ZINC000788446383 683256416 /nfs/dbraw/zinc/25/64/16/683256416.db2.gz KZMAMVDDLYXNHI-OAHLLOKOSA-N 2 0 288.395 1.151 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001021094136 683315429 /nfs/dbraw/zinc/31/54/29/683315429.db2.gz LUEUSTGOFVMIQF-KKUMJFAQSA-N 2 0 279.428 1.674 20 30 CDEDRP CC(C)CCNC(=[NH2+])NCC[N@H+](C)C1CCCC1 ZINC000304755632 683371622 /nfs/dbraw/zinc/37/16/22/683371622.db2.gz MYVAGJZDMSVVFZ-UHFFFAOYSA-N 2 0 254.422 1.811 20 30 CDEDRP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033097527 683453041 /nfs/dbraw/zinc/45/30/41/683453041.db2.gz ZTEYYOKCHAXOLA-SOUVJXGZSA-N 2 0 279.428 1.435 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001005819576 683456310 /nfs/dbraw/zinc/45/63/10/683456310.db2.gz ZGVQFBPRVKGKSF-UHFFFAOYSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[NH+]1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001005935351 683510107 /nfs/dbraw/zinc/51/01/07/683510107.db2.gz TZTHIISODNAUAP-UHFFFAOYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023470667 683524493 /nfs/dbraw/zinc/52/44/93/683524493.db2.gz ZNNQMQFAJZWXQO-AWEZNQCLSA-N 2 0 298.390 1.962 20 30 CDEDRP CC[C@@H]1CN(C(NC[C@@H]2CC[N@H+](C)C2)=[NH+]C)CCS1 ZINC000262002276 683586335 /nfs/dbraw/zinc/58/63/35/683586335.db2.gz UFWFVSAAAGJLJS-QWHCGFSZSA-N 2 0 284.473 1.341 20 30 CDEDRP CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014404568 683627698 /nfs/dbraw/zinc/62/76/98/683627698.db2.gz DXEIJUFGGWZCEN-CABCVRRESA-N 2 0 277.412 1.073 20 30 CDEDRP C[NH+]=C(NCC(C)(C)[NH+]1CCC(OC)CC1)NC1CC1 ZINC000849006444 683707542 /nfs/dbraw/zinc/70/75/42/683707542.db2.gz JOWVSSSALWWHQJ-UHFFFAOYSA-N 2 0 282.432 1.203 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000996601231 683745647 /nfs/dbraw/zinc/74/56/47/683745647.db2.gz AOKLQMPSCQWYLT-TZMCWYRMSA-N 2 0 265.401 1.093 20 30 CDEDRP C[NH+]=C(NCCOC)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000071804045 683766364 /nfs/dbraw/zinc/76/63/64/683766364.db2.gz MNGHPVFDQZUARE-STQMWFEESA-N 2 0 270.421 1.061 20 30 CDEDRP CCCCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000303874338 683802805 /nfs/dbraw/zinc/80/28/05/683802805.db2.gz DAGIYPVISJDUQU-OLZOCXBDSA-N 2 0 254.422 1.811 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001052712928 683871625 /nfs/dbraw/zinc/87/16/25/683871625.db2.gz PVSZHVDCUMXBRP-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[C@H](C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000883416046 683919874 /nfs/dbraw/zinc/91/98/74/683919874.db2.gz KOYWLMDLADTUHV-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001016690921 683921772 /nfs/dbraw/zinc/92/17/72/683921772.db2.gz PZCUHNZIKRVRRF-LSDHHAIUSA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001001263874 683996354 /nfs/dbraw/zinc/99/63/54/683996354.db2.gz LWZSNRYWVSQAAP-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001028097739 684034577 /nfs/dbraw/zinc/03/45/77/684034577.db2.gz DFLKEOFSRXAABT-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001019033600 684058483 /nfs/dbraw/zinc/05/84/83/684058483.db2.gz VLFLHFNRLKIQKA-NWDGAFQWSA-N 2 0 273.808 1.270 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680599 684062545 /nfs/dbraw/zinc/06/25/45/684062545.db2.gz PMSGSXCRUBWLQX-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(Cl)CN1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001003166759 684065635 /nfs/dbraw/zinc/06/56/35/684065635.db2.gz LDTYBWYXJLPMHL-CQSZACIVSA-N 2 0 299.846 1.804 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072080891 684143659 /nfs/dbraw/zinc/14/36/59/684143659.db2.gz DDMOHKWRJDUFKO-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CCc2ncc[nH]2)C[C@@H]1CC ZINC001037841374 684149423 /nfs/dbraw/zinc/14/94/23/684149423.db2.gz PLTPKQABGYISGT-UONOGXRCSA-N 2 0 290.411 1.745 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC000987569775 684186445 /nfs/dbraw/zinc/18/64/45/684186445.db2.gz INEVKMIXGCZQGZ-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001044734461 684192423 /nfs/dbraw/zinc/19/24/23/684192423.db2.gz VMDQTVQDFNMYRC-UKRRQHHQSA-N 2 0 279.428 1.483 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023573431 684290485 /nfs/dbraw/zinc/29/04/85/684290485.db2.gz ZSLTVTIPHIBPFE-HNNXBMFYSA-N 2 0 291.439 1.180 20 30 CDEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001104348527 1158779435 /nfs/dbraw/zinc/77/94/35/1158779435.db2.gz IWNFXGBWOQDWCM-BZUAXINKSA-N 2 0 293.455 1.424 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130232269 1162577501 /nfs/dbraw/zinc/57/75/01/1162577501.db2.gz QHDUDQCLPTYKJV-UHFFFAOYSA-N 2 0 297.443 1.017 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001130658557 1162687298 /nfs/dbraw/zinc/68/72/98/1162687298.db2.gz DLMHRMMAVLVPHP-UHFFFAOYSA-N 2 0 286.379 1.928 20 30 CDEDRP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001754326023 1159130236 /nfs/dbraw/zinc/13/02/36/1159130236.db2.gz BFQPPEUSCHEDBV-HZPDHXFCSA-N 2 0 293.455 1.709 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001133346545 1163643766 /nfs/dbraw/zinc/64/37/66/1163643766.db2.gz MOFFZAQSBNZHPV-JKSUJKDBSA-N 2 0 295.471 1.977 20 30 CDEDRP C[NH+](C)CCCC[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000045696999 1166276276 /nfs/dbraw/zinc/27/62/76/1166276276.db2.gz FBODDBKIXSLMJP-OAHLLOKOSA-N 2 0 261.369 1.523 20 30 CDEDRP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001568379202 1169268755 /nfs/dbraw/zinc/26/87/55/1169268755.db2.gz OKCCIDCBDFOEIF-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC1(CC(=O)N(CC)CCC[NH+](CC)CC)C[NH2+]C1 ZINC001574879532 1171035008 /nfs/dbraw/zinc/03/50/08/1171035008.db2.gz CMDKRHHRZOESJU-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001753358755 1184444917 /nfs/dbraw/zinc/44/49/17/1184444917.db2.gz SDRZJDMXOMQEOF-ZDUSSCGKSA-N 2 0 276.384 1.227 20 30 CDEDRP C=C(C)CC[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001753049552 1185019722 /nfs/dbraw/zinc/01/97/22/1185019722.db2.gz HVHFMDIVRXBRRH-HNNXBMFYSA-N 2 0 279.428 1.342 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001753410526 1185191758 /nfs/dbraw/zinc/19/17/58/1185191758.db2.gz ZTKGXYJBSKJGOV-OAHLLOKOSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001753549985 1185254163 /nfs/dbraw/zinc/25/41/63/1185254163.db2.gz IBNGNSQHDZAANK-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+]CCN(CC)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001754074655 1185450255 /nfs/dbraw/zinc/45/02/55/1185450255.db2.gz AUZMIPPHKOCZDE-UHFFFAOYSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001754311032 1185570587 /nfs/dbraw/zinc/57/05/87/1185570587.db2.gz NVIPVLYIBYILER-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001754370805 1185600553 /nfs/dbraw/zinc/60/05/53/1185600553.db2.gz NUSXRDJCOMWPPM-HNNXBMFYSA-N 2 0 279.428 1.321 20 30 CDEDRP C#CCC[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001754536061 1185663208 /nfs/dbraw/zinc/66/32/08/1185663208.db2.gz SYMQZOVXMGUPON-UHFFFAOYSA-N 2 0 277.412 1.124 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001754673755 1185700055 /nfs/dbraw/zinc/70/00/55/1185700055.db2.gz GVTSUQZLHRBJGY-GDBMZVCRSA-N 2 0 299.434 1.823 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001754826038 1185741964 /nfs/dbraw/zinc/74/19/64/1185741964.db2.gz UITBIHXBHCFRJA-JKSUJKDBSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001755392337 1185939723 /nfs/dbraw/zinc/93/97/23/1185939723.db2.gz UIVQMGCNVPDPAV-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001755413183 1185946406 /nfs/dbraw/zinc/94/64/06/1185946406.db2.gz BVOQEWOFINAHCR-CQSZACIVSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134766572 1164102015 /nfs/dbraw/zinc/10/20/15/1164102015.db2.gz IXUFNMGIYCVORB-HNNXBMFYSA-N 2 0 281.444 1.921 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001088980184 912428645 /nfs/dbraw/zinc/42/86/45/912428645.db2.gz ACRJZZWFFYGVCK-KFWWJZLASA-N 2 0 279.428 1.483 20 30 CDEDRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCC(CC#N)CC1 ZINC001173332901 912430985 /nfs/dbraw/zinc/43/09/85/912430985.db2.gz WFVMGDKTCNUQCS-RUXDESIVSA-N 2 0 280.416 1.292 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001088983743 912439969 /nfs/dbraw/zinc/43/99/69/912439969.db2.gz MHVIMJMZQNLAEJ-KGLIPLIRSA-N 2 0 277.412 1.237 20 30 CDEDRP C#CCCCN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001209265792 894574476 /nfs/dbraw/zinc/57/44/76/894574476.db2.gz BNRHWXLCGHCEBO-UHFFFAOYSA-N 2 0 253.434 1.605 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C(C)(C)C#N ZINC001143398474 896132913 /nfs/dbraw/zinc/13/29/13/896132913.db2.gz OLUTXHCTHNMKEK-UHFFFAOYSA-N 2 0 282.432 1.268 20 30 CDEDRP C=C(C)C[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001481172344 899049547 /nfs/dbraw/zinc/04/95/47/899049547.db2.gz HLNDZDIAXSJCRI-HNNXBMFYSA-N 2 0 281.444 1.729 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C/C=C\Cl)CC1 ZINC001176926636 914360714 /nfs/dbraw/zinc/36/07/14/914360714.db2.gz QYQWVLJKEMMVIQ-CLTKARDFSA-N 2 0 297.830 1.180 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001088002987 906115218 /nfs/dbraw/zinc/11/52/18/906115218.db2.gz CRQNEGXCYZUSRR-PMPSAXMXSA-N 2 0 293.455 1.539 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189400296 921475737 /nfs/dbraw/zinc/47/57/37/921475737.db2.gz JAEKCZQSRXGETD-UONOGXRCSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001088811167 909517175 /nfs/dbraw/zinc/51/71/75/909517175.db2.gz OQTRBRSUQHQBPB-OAGGEKHMSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3ccnc3)CC[C@H]21 ZINC001036908802 910688922 /nfs/dbraw/zinc/68/89/22/910688922.db2.gz UDPGAGMRMIEHCG-LSDHHAIUSA-N 2 0 288.395 1.382 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203336990 910991693 /nfs/dbraw/zinc/99/16/93/910991693.db2.gz CPXMGYJMFVEUNF-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C[C@H](CCCC#N)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001172480159 911684691 /nfs/dbraw/zinc/68/46/91/911684691.db2.gz MVQYPWZNQQRANA-CQSZACIVSA-N 2 0 266.433 1.684 20 30 CDEDRP C[C@@H](CCCC#N)[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001172488737 911727203 /nfs/dbraw/zinc/72/72/03/911727203.db2.gz VUJOXASLJRZKRZ-KKUMJFAQSA-N 2 0 294.443 1.647 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)CC1CC[NH+](C)CC1 ZINC001179749856 915965794 /nfs/dbraw/zinc/96/57/94/915965794.db2.gz XVTNQVCMIPLCQF-UHFFFAOYSA-N 2 0 293.455 1.618 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)CCC ZINC001180121376 916168037 /nfs/dbraw/zinc/16/80/37/916168037.db2.gz MYYUJQHQMGORBS-UHFFFAOYSA-N 2 0 267.417 1.228 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151057011 917356267 /nfs/dbraw/zinc/35/62/67/917356267.db2.gz PQCPKEVEUDVXQK-CQSZACIVSA-N 2 0 267.417 1.390 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001183199794 918373525 /nfs/dbraw/zinc/37/35/25/918373525.db2.gz KKGNBLDJAKNPRN-NVXWUHKLSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001185676054 919716908 /nfs/dbraw/zinc/71/69/08/919716908.db2.gz IXGZJZDMKSXPEP-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001186082620 919863988 /nfs/dbraw/zinc/86/39/88/919863988.db2.gz LVPRVLIJPKIUHH-CVEARBPZSA-N 2 0 291.439 1.463 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001187921523 920755015 /nfs/dbraw/zinc/75/50/15/920755015.db2.gz LMKROXOADTVZDT-MRXNPFEDSA-N 2 0 291.439 1.466 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001188139904 920854846 /nfs/dbraw/zinc/85/48/46/920854846.db2.gz UYKZHZJNWKAIGB-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001190247926 921932529 /nfs/dbraw/zinc/93/25/29/921932529.db2.gz UQPALTARUALLSU-OWCLPIDISA-N 2 0 291.439 1.273 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190664834 922108805 /nfs/dbraw/zinc/10/88/05/922108805.db2.gz HCPJJGQBPDCDIM-CABCVRRESA-N 2 0 279.428 1.435 20 30 CDEDRP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](CC)CC ZINC001099275891 936784777 /nfs/dbraw/zinc/78/47/77/936784777.db2.gz KTKWSGNRWZDBSH-HNNXBMFYSA-N 2 0 293.455 1.568 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203104027 936830371 /nfs/dbraw/zinc/83/03/71/936830371.db2.gz PKUXXTQKTADCKQ-UONOGXRCSA-N 2 0 291.439 1.367 20 30 CDEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194011296 924014161 /nfs/dbraw/zinc/01/41/61/924014161.db2.gz RGWULAQZHKQBJX-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194229672 924108380 /nfs/dbraw/zinc/10/83/80/924108380.db2.gz ZSFUKCYAZXWQQB-HNNXBMFYSA-N 2 0 277.412 1.028 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001101024971 936952510 /nfs/dbraw/zinc/95/25/10/936952510.db2.gz PIYUOSIHURFVJH-UHFFFAOYSA-N 2 0 293.455 1.923 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001082447883 924934977 /nfs/dbraw/zinc/93/49/77/924934977.db2.gz UTFPWCZXGCUTSL-RAIGVLPGSA-N 2 0 285.819 1.270 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001082575102 924962431 /nfs/dbraw/zinc/96/24/31/924962431.db2.gz LRICCPLLDRCMPC-KFWWJZLASA-N 2 0 281.444 1.585 20 30 CDEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001085024762 925585369 /nfs/dbraw/zinc/58/53/69/925585369.db2.gz BAURFNHYCYPTGG-OWCLPIDISA-N 2 0 291.439 1.129 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001085258197 925837695 /nfs/dbraw/zinc/83/76/95/925837695.db2.gz VWAWZTFONLQBEI-HUUCEWRRSA-N 2 0 289.423 1.265 20 30 CDEDRP C#CCC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)[C@H](C)C1 ZINC001102104087 937042234 /nfs/dbraw/zinc/04/22/34/937042234.db2.gz FQMGDUKCHFSVNI-HUUCEWRRSA-N 2 0 293.455 1.424 20 30 CDEDRP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102318723 937052020 /nfs/dbraw/zinc/05/20/20/937052020.db2.gz HCFDLOZVAXSVGT-OWCLPIDISA-N 2 0 295.471 1.977 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085598641 926203133 /nfs/dbraw/zinc/20/31/33/926203133.db2.gz XKNBDEPMGKLCBM-JKSUJKDBSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085928532 926516900 /nfs/dbraw/zinc/51/69/00/926516900.db2.gz ZLHXWBGFLOVVPQ-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001085988270 926570668 /nfs/dbraw/zinc/57/06/68/926570668.db2.gz YQLVIXAPJWNYRI-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086497447 927215342 /nfs/dbraw/zinc/21/53/42/927215342.db2.gz MGAGIIACOPBOAV-BZUAXINKSA-N 2 0 293.455 1.920 20 30 CDEDRP CC[NH+]1CCC(NC(=[NH2+])c2ccc(F)cn2)CC1 ZINC001169230853 927836034 /nfs/dbraw/zinc/83/60/34/927836034.db2.gz MMGYBNCEYCEPGS-UHFFFAOYSA-N 2 0 250.321 1.410 20 30 CDEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001110670977 928040922 /nfs/dbraw/zinc/04/09/22/928040922.db2.gz MDRNHAKMDRVABK-OAGGEKHMSA-N 2 0 291.439 1.768 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001111874825 937248035 /nfs/dbraw/zinc/24/80/35/937248035.db2.gz AEZDPNSJGZNEAO-ZOBUZTSGSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001252491688 928727750 /nfs/dbraw/zinc/72/77/50/928727750.db2.gz UAPRFWGJYLXYPY-MGPQQGTHSA-N 2 0 256.390 1.012 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109405861 928924155 /nfs/dbraw/zinc/92/41/55/928924155.db2.gz DYCQIMZBLIONDA-FXUDXRNXSA-N 2 0 289.423 1.071 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109868267 929071567 /nfs/dbraw/zinc/07/15/67/929071567.db2.gz ITBQHRMCKPENJU-ILXRZTDVSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CCC ZINC001115159989 937330547 /nfs/dbraw/zinc/33/05/47/937330547.db2.gz MJRPFNOFWIIPJQ-LJIGWXMPSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001098461781 929448703 /nfs/dbraw/zinc/44/87/03/929448703.db2.gz OWJXGXRKVMWIQV-WCVJEAGWSA-N 2 0 291.439 1.768 20 30 CDEDRP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135371010 930173365 /nfs/dbraw/zinc/17/33/65/930173365.db2.gz CMJJIQWVKVTFOK-KBPBESRZSA-N 2 0 285.432 1.014 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135372309 930175050 /nfs/dbraw/zinc/17/50/50/930175050.db2.gz QFLAOMJHJANSSH-STQMWFEESA-N 2 0 255.406 1.387 20 30 CDEDRP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135375844 930176901 /nfs/dbraw/zinc/17/69/01/930176901.db2.gz OMVXQEZQDWMEPS-KBPBESRZSA-N 2 0 269.433 1.777 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135475457 930219164 /nfs/dbraw/zinc/21/91/64/930219164.db2.gz APXRFLOBJVKMLR-GJZGRUSLSA-N 2 0 295.471 1.861 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135823605 930441382 /nfs/dbraw/zinc/44/13/82/930441382.db2.gz CYSOKOCMUOMSTC-HUUCEWRRSA-N 2 0 293.455 1.613 20 30 CDEDRP N#CCc1ccc([N+](=O)[O-])c(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001170902912 930707754 /nfs/dbraw/zinc/70/77/54/930707754.db2.gz HHJJMRFISLUAHY-GFCCVEGCSA-N 2 0 263.301 1.096 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001171117573 931576561 /nfs/dbraw/zinc/57/65/61/931576561.db2.gz BTCAZEPUEBAPCY-JKSUJKDBSA-N 2 0 293.455 1.759 20 30 CDEDRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C#N)nc1 ZINC001275296171 931728799 /nfs/dbraw/zinc/72/87/99/931728799.db2.gz TZHBSFYTXXGHCQ-IRXDYDNUSA-N 2 0 299.422 1.163 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171159970 931752744 /nfs/dbraw/zinc/75/27/44/931752744.db2.gz BKOBEEAHYJHIMI-KBPBESRZSA-N 2 0 267.417 1.389 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001091360540 932116125 /nfs/dbraw/zinc/11/61/25/932116125.db2.gz HTCKUZIGPKEIRG-CPCZMJQVSA-N 2 0 285.819 1.175 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CCC)C2)CC1 ZINC001091377708 932121025 /nfs/dbraw/zinc/12/10/25/932121025.db2.gz VEOUXWUYLYWTGV-UHFFFAOYSA-N 2 0 291.439 1.226 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171254340 932143072 /nfs/dbraw/zinc/14/30/72/932143072.db2.gz RDBNXVBSOWESLU-DZGCQCFKSA-N 2 0 279.428 1.224 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171261140 932187645 /nfs/dbraw/zinc/18/76/45/932187645.db2.gz QOOFKVKRKFDGLC-AWEZNQCLSA-N 2 0 279.428 1.369 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ccnc1C ZINC001146331382 932234147 /nfs/dbraw/zinc/23/41/47/932234147.db2.gz BIAJPXJFTQVRSO-OLZOCXBDSA-N 2 0 276.384 1.088 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC)CC1 ZINC001146609686 932271699 /nfs/dbraw/zinc/27/16/99/932271699.db2.gz GAYSRCIDXLBCFM-CABCVRRESA-N 2 0 293.455 1.615 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)CC)C2)C1 ZINC001147819685 932612891 /nfs/dbraw/zinc/61/28/91/932612891.db2.gz KGWGVWPAPRNWEF-UHFFFAOYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046317526 935941335 /nfs/dbraw/zinc/94/13/35/935941335.db2.gz HSJVXIZVZZWXCG-NVXWUHKLSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(Cl)CN1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046332972 935941851 /nfs/dbraw/zinc/94/18/51/935941851.db2.gz UQBHLWGOTIZNPF-NFAWXSAZSA-N 2 0 299.846 1.660 20 30 CDEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)C[NH+](CC)CC)C2)C1 ZINC001121935050 937892085 /nfs/dbraw/zinc/89/20/85/937892085.db2.gz FIEGORJCQSAJHS-UHFFFAOYSA-N 2 0 291.439 1.369 20 30 CDEDRP C#C[C@](C)([NH3+])C(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158030878 938576752 /nfs/dbraw/zinc/57/67/52/938576752.db2.gz AEBMAHNJOSGCBE-HOTGVXAUSA-N 2 0 277.412 1.109 20 30 CDEDRP C[C@@H]1CN(c2ncc3c(c2C#N)CCC[NH2+]C3)C[C@H](C)[NH2+]1 ZINC001158172197 938589800 /nfs/dbraw/zinc/58/98/00/938589800.db2.gz BUHKKYAWHDMDNW-TXEJJXNPSA-N 2 0 285.395 1.176 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158428723 938623790 /nfs/dbraw/zinc/62/37/90/938623790.db2.gz QCVYKIHZIRSBSS-RRFJBIMHSA-N 2 0 281.444 1.777 20 30 CDEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001159628976 938742270 /nfs/dbraw/zinc/74/22/70/938742270.db2.gz STCRWOGBDXCNDV-INIZCTEOSA-N 2 0 289.423 1.242 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001163249133 939232103 /nfs/dbraw/zinc/23/21/03/939232103.db2.gz WHVVVTBBABRNFV-UHFFFAOYSA-N 2 0 289.423 1.686 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165360078 939548513 /nfs/dbraw/zinc/54/85/13/939548513.db2.gz MPMUQHVZOLVOAS-CQSZACIVSA-N 2 0 269.433 1.779 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001165485547 939567373 /nfs/dbraw/zinc/56/73/73/939567373.db2.gz YUFRBSNQXPTBKY-HNNXBMFYSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CCOCC[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166971038 939664097 /nfs/dbraw/zinc/66/40/97/939664097.db2.gz DLRAUPVXWDBHCJ-UHFFFAOYSA-N 2 0 297.443 1.017 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203793335 939704151 /nfs/dbraw/zinc/70/41/51/939704151.db2.gz SBBJWYKXICIOQQ-GJZGRUSLSA-N 2 0 293.455 1.920 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001203925832 939714002 /nfs/dbraw/zinc/71/40/02/939714002.db2.gz VXQGLFIMMQUMFJ-UHFFFAOYSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001203925330 939714148 /nfs/dbraw/zinc/71/41/48/939714148.db2.gz MVDPROLIHUJMMS-UHFFFAOYSA-N 2 0 253.390 1.093 20 30 CDEDRP N#Cc1ccc2c(C[N@H+]3CCC[C@](O)(C[NH3+])CC3)c[nH]c2c1 ZINC001205230581 939839696 /nfs/dbraw/zinc/83/96/96/939839696.db2.gz SRTOCUJLTXPLPK-QGZVFWFLSA-N 2 0 298.390 1.715 20 30 CDEDRP Cn1cc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)cc1C#N ZINC001205546042 939900887 /nfs/dbraw/zinc/90/08/87/939900887.db2.gz PLAAXYOWQIZOPG-CQSZACIVSA-N 2 0 264.348 1.550 20 30 CDEDRP N#Cc1ccc2[nH]cc(C[N@H+]3CCCC[C@@](O)(C[NH3+])C3)c2c1 ZINC001205683069 939918070 /nfs/dbraw/zinc/91/80/70/939918070.db2.gz XIWMVSMPEITZHX-QGZVFWFLSA-N 2 0 298.390 1.715 20 30 CDEDRP C#CCOc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206164239 939988910 /nfs/dbraw/zinc/98/89/10/939988910.db2.gz JVTKAQNNNFEFHY-CVEARBPZSA-N 2 0 276.355 1.960 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001206890284 940107664 /nfs/dbraw/zinc/10/76/64/940107664.db2.gz JQWIDGBUINZUAK-UHFFFAOYSA-N 2 0 267.417 1.342 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001206889222 940108108 /nfs/dbraw/zinc/10/81/08/940108108.db2.gz GXTVGJPPWHIYGD-UHFFFAOYSA-N 2 0 293.455 1.570 20 30 CDEDRP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207697566 940232396 /nfs/dbraw/zinc/23/23/96/940232396.db2.gz FKRZMKVXXAFUPD-RBSFLKMASA-N 2 0 281.444 1.729 20 30 CDEDRP C=CCN(CCN1CC[C@]2(CC[N@H+](C)C2)C1)C(=O)OCC ZINC001209019996 940423995 /nfs/dbraw/zinc/42/39/95/940423995.db2.gz ASSLMCPFXCOLAL-INIZCTEOSA-N 2 0 295.427 1.659 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215058569 940854294 /nfs/dbraw/zinc/85/42/94/940854294.db2.gz XSSJKIZOAGLFDH-HUUCEWRRSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219649646 941370197 /nfs/dbraw/zinc/37/01/97/941370197.db2.gz KRNOJZPQSFUWJH-JSGCOSHPSA-N 2 0 265.401 1.000 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001227817122 942232085 /nfs/dbraw/zinc/23/20/85/942232085.db2.gz JSNIPABUESPVIO-INIZCTEOSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCNCC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC001263100090 943744340 /nfs/dbraw/zinc/74/43/40/943744340.db2.gz DACCIXJHDLTKLQ-UHFFFAOYSA-N 2 0 289.379 1.178 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC001263103388 943745419 /nfs/dbraw/zinc/74/54/19/943745419.db2.gz XPWSCPDYGRFFQW-XBFCOCLRSA-N 2 0 265.401 1.269 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001263106111 943747892 /nfs/dbraw/zinc/74/78/92/943747892.db2.gz LUSQOWXAPSTRBQ-CQSZACIVSA-N 2 0 279.428 1.662 20 30 CDEDRP C=CCOC[C@H]1CCC[C@@]12C[N@H+](CCCC[NH3+])CCO2 ZINC001235630612 944224529 /nfs/dbraw/zinc/22/45/29/944224529.db2.gz FENAREIIESWMDC-HZPDHXFCSA-N 2 0 282.428 1.799 20 30 CDEDRP N#Cc1ccc2c(CN3C[C@@H]4CC[C@@]4([NH3+])C3)c[nH]c2c1 ZINC001235990242 944353160 /nfs/dbraw/zinc/35/31/60/944353160.db2.gz MCEQROIFZQSIRX-XJKSGUPXSA-N 2 0 266.348 1.963 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCCCCO)CC1 ZINC001236434780 944495654 /nfs/dbraw/zinc/49/56/54/944495654.db2.gz XAOHEKTUNMVFIB-UHFFFAOYSA-N 2 0 295.471 1.441 20 30 CDEDRP CC[NH+](CC)CCN1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254652726 947572673 /nfs/dbraw/zinc/57/26/73/947572673.db2.gz HJGPHFOUJJLIMF-HZPDHXFCSA-N 2 0 278.444 1.638 20 30 CDEDRP N#C[C@H]1CC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)C1 ZINC001246518623 948221869 /nfs/dbraw/zinc/22/18/69/948221869.db2.gz ILEZJJWJUVOHMY-KKUMJFAQSA-N 2 0 292.427 1.388 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001252499235 951377660 /nfs/dbraw/zinc/37/76/60/951377660.db2.gz XNHJHTWNYWEOMX-ZNMIVQPWSA-N 2 0 270.417 1.258 20 30 CDEDRP C=C[C@@](C)(O)C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001252558450 951452420 /nfs/dbraw/zinc/45/24/20/951452420.db2.gz WUQRWEKWIHZNOT-OAHLLOKOSA-N 2 0 261.369 1.449 20 30 CDEDRP C=C[C@H](O)C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001253586500 951976687 /nfs/dbraw/zinc/97/66/87/951976687.db2.gz NVUVLGYTCAQXFJ-KSZLIROESA-N 2 0 286.419 1.987 20 30 CDEDRP C=C[C@H](O)C[NH2+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC001253605451 951991146 /nfs/dbraw/zinc/99/11/46/951991146.db2.gz SOPUGTLWWURMSD-INIZCTEOSA-N 2 0 282.428 1.262 20 30 CDEDRP OC1(C[NH2+]CCCS)CC[NH+](Cc2ccccc2)CC1 ZINC001254051469 952174561 /nfs/dbraw/zinc/17/45/61/952174561.db2.gz MCNKROMULVVUKV-UHFFFAOYSA-N 2 0 294.464 1.923 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001369399020 959664319 /nfs/dbraw/zinc/66/43/19/959664319.db2.gz JGVPZJMEOSKSBF-OLZOCXBDSA-N 2 0 287.835 1.660 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001495469276 972513130 /nfs/dbraw/zinc/51/31/30/972513130.db2.gz DBSIJVFJLDAMOZ-IHRRRGAJSA-N 2 0 267.417 1.530 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001420343456 962769124 /nfs/dbraw/zinc/76/91/24/962769124.db2.gz ZYLCPNBYDHBUFG-LLVKDONJSA-N 2 0 273.808 1.175 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001438508634 963471413 /nfs/dbraw/zinc/47/14/13/963471413.db2.gz ZBGJLCXKKIYJHF-DGCLKSJQSA-N 2 0 287.835 1.565 20 30 CDEDRP C#CC[NH2+]CC(=O)N1CCN([C@H](C)c2ccccc2)CC1 ZINC001341925031 963581382 /nfs/dbraw/zinc/58/13/82/963581382.db2.gz QESAYTSOMPNLHK-OAHLLOKOSA-N 2 0 285.391 1.115 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001353581594 968081364 /nfs/dbraw/zinc/08/13/64/968081364.db2.gz LAGHZPVUTNPXHN-HNNXBMFYSA-N 2 0 288.395 1.414 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001100680889 968938160 /nfs/dbraw/zinc/93/81/60/968938160.db2.gz KDXOPGDBNTZKCC-UHFFFAOYSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001521541311 970313554 /nfs/dbraw/zinc/31/35/54/970313554.db2.gz VQPBUSMVEPPZBJ-CQSZACIVSA-N 2 0 289.379 1.791 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001382586905 977313363 /nfs/dbraw/zinc/31/33/63/977313363.db2.gz JMMPSLNWDDSSPP-UHFFFAOYSA-N 2 0 287.835 1.660 20 30 CDEDRP C=CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001132436348 1163289681 /nfs/dbraw/zinc/28/96/81/1163289681.db2.gz KUNYURFEJZGPQL-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001132736760 1163458736 /nfs/dbraw/zinc/45/87/36/1163458736.db2.gz CMGLRCSWIRJZQB-OAHLLOKOSA-N 2 0 297.443 1.017 20 30 CDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001574852434 1171025774 /nfs/dbraw/zinc/02/57/74/1171025774.db2.gz SNOHMXFKEQZPOS-CHWSQXEVSA-N 2 0 285.819 1.589 20 30 CDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[N@@H+](C)C(C)C ZINC001574857421 1171028893 /nfs/dbraw/zinc/02/88/93/1171028893.db2.gz SQIKBKUDXLTBDE-NSHDSACASA-N 2 0 261.797 1.303 20 30 CDEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](C)CCC#N)C2)CC1 ZINC000585726720 342454024 /nfs/dbraw/zinc/45/40/24/342454024.db2.gz BSJRVOYPKAOLJM-JKSUJKDBSA-N 2 0 278.444 1.638 20 30 CDEDRP C=CCOCC[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000591573577 342637379 /nfs/dbraw/zinc/63/73/79/342637379.db2.gz SPQYHBGHILWGDO-CYBMUJFWSA-N 2 0 284.400 1.100 20 30 CDEDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442800149 362092637 /nfs/dbraw/zinc/09/26/37/362092637.db2.gz YZJMIKJGVKAMNB-BFHYXJOUSA-N 2 0 253.390 1.625 20 30 CDEDRP C[NH2+]C[C@H](C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000596655027 343372161 /nfs/dbraw/zinc/37/21/61/343372161.db2.gz SCQPNTCJQSFATA-AWEZNQCLSA-N 2 0 286.423 1.720 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)o1 ZINC000600769880 349878744 /nfs/dbraw/zinc/87/87/44/349878744.db2.gz UIEPMJQQOXAAPF-BBRMVZONSA-N 2 0 289.379 1.870 20 30 CDEDRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598728196 343886872 /nfs/dbraw/zinc/88/68/72/343886872.db2.gz OTNRLQKVPZPQGI-KBPBESRZSA-N 2 0 267.417 1.609 20 30 CDEDRP C[N@H+](C[C@@H](O)CC(C)(C)C#N)C[C@@H]1CC[NH+](C)C1 ZINC000598701816 343889558 /nfs/dbraw/zinc/88/95/58/343889558.db2.gz NIPYDHLDKXTBDV-OLZOCXBDSA-N 2 0 253.390 1.171 20 30 CDEDRP C=C[C@H](C(=O)OC)N(C)CCCC[NH+]1CCCCC1 ZINC000603114452 344712041 /nfs/dbraw/zinc/71/20/41/344712041.db2.gz AMDABRKDHMMXKP-CQSZACIVSA-N 2 0 268.401 1.912 20 30 CDEDRP CC1CC[NH+](Cc2ccccc2CNC(N)=[NH2+])CC1 ZINC000057887214 345620188 /nfs/dbraw/zinc/62/01/88/345620188.db2.gz SBPIOVRISTYSFU-UHFFFAOYSA-N 2 0 260.385 1.692 20 30 CDEDRP C=C[C@H](C(=O)OC)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000619719687 348191640 /nfs/dbraw/zinc/19/16/40/348191640.db2.gz UPFWBBXKXGNKBV-YNEHKIRRSA-N 2 0 263.341 1.494 20 30 CDEDRP CNC(=[NH2+])NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000264085215 362962718 /nfs/dbraw/zinc/96/27/18/362962718.db2.gz JBEIQGVQPVYGNN-UHFFFAOYSA-N 2 0 260.385 1.357 20 30 CDEDRP COCCNC(=[NH2+])NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000264085699 362963173 /nfs/dbraw/zinc/96/31/73/362963173.db2.gz JPZQZQVLLPFFFF-GFCCVEGCSA-N 2 0 296.440 1.436 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]([NH3+])C(C)C)C(C)C ZINC000236757898 358802684 /nfs/dbraw/zinc/80/26/84/358802684.db2.gz RDSQOPGZWCUQQZ-CABCVRRESA-N 2 0 281.444 1.785 20 30 CDEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639249153 359717461 /nfs/dbraw/zinc/71/74/61/359717461.db2.gz XZNSAGCJLBDFPC-KGLIPLIRSA-N 2 0 268.401 1.155 20 30 CDEDRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)N(C)CCC#N)C1 ZINC000092798300 360286074 /nfs/dbraw/zinc/28/60/74/360286074.db2.gz VYBNXPGXSCDWIC-OAHLLOKOSA-N 2 0 294.443 1.412 20 30 CDEDRP C=CCNC(=O)[C@H](C)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245448454 360695900 /nfs/dbraw/zinc/69/59/00/360695900.db2.gz MXFXZMZFWCYNIQ-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])NCc1ccccc1OC ZINC000170914449 365164221 /nfs/dbraw/zinc/16/42/21/365164221.db2.gz TXXAAEJDWGLWRE-CYBMUJFWSA-N 2 0 292.427 1.830 20 30 CDEDRP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000361458870 368830644 /nfs/dbraw/zinc/83/06/44/368830644.db2.gz IRLGLDJMLXIJMH-OWCLPIDISA-N 2 0 279.428 1.751 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)C(C)C ZINC000565360313 370427913 /nfs/dbraw/zinc/42/79/13/370427913.db2.gz BOFIAUCPWXWUFT-ARFHVFGLSA-N 2 0 293.455 1.799 20 30 CDEDRP C[C@@H](C[NH2+]Cc1cc(C#N)cs1)N1CC[NH+](C)CC1 ZINC000177696845 372110076 /nfs/dbraw/zinc/11/00/76/372110076.db2.gz DIRMJVAOHDSYMU-LBPRGKRZSA-N 2 0 278.425 1.345 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000417543964 377931186 /nfs/dbraw/zinc/93/11/86/377931186.db2.gz VLYDEGHDYISJSP-DZGCQCFKSA-N 2 0 294.443 1.454 20 30 CDEDRP CN(CC[N@H+](C)[C@@H]1CC[C@@H](C#N)C1)C1CC[NH+](C)CC1 ZINC000339053776 391247398 /nfs/dbraw/zinc/24/73/98/391247398.db2.gz IUDKSKUIIXYHFV-GDBMZVCRSA-N 2 0 278.444 1.636 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1ccccn1 ZINC000269371613 391248088 /nfs/dbraw/zinc/24/80/88/391248088.db2.gz MIDIFZYZOFDFLZ-OAHLLOKOSA-N 2 0 289.427 1.403 20 30 CDEDRP CCNC(=[NH2+])NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000267463715 391196516 /nfs/dbraw/zinc/19/65/16/391196516.db2.gz VYASGBOPSUEJNP-UHFFFAOYSA-N 2 0 252.337 1.312 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C[NH2+]C)C(C)C ZINC000237229730 131015605 /nfs/dbraw/zinc/01/56/05/131015605.db2.gz XCSPJIRWAHJDFI-ZDUSSCGKSA-N 2 0 253.390 1.021 20 30 CDEDRP C[NH2+]CC1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000234347857 140229869 /nfs/dbraw/zinc/22/98/69/140229869.db2.gz SJSVMDPNZKPPGS-UHFFFAOYSA-N 2 0 273.380 1.998 20 30 CDEDRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(C#N)o1 ZINC000350267832 154357663 /nfs/dbraw/zinc/35/76/63/154357663.db2.gz ONMXZXSVNPUOON-UHFFFAOYSA-N 2 0 265.357 1.599 20 30 CDEDRP CC(C)(C)[NH+]1CCC([NH2+]CCn2cnc(C#N)n2)CC1 ZINC000353995713 156213278 /nfs/dbraw/zinc/21/32/78/156213278.db2.gz LBEJRYXJWWJLJU-UHFFFAOYSA-N 2 0 276.388 1.002 20 30 CDEDRP C[NH+]=C(NCc1cc(C)no1)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158197208 261161027 /nfs/dbraw/zinc/16/10/27/261161027.db2.gz DGBDNCAKHULQDQ-FZMZJTMJSA-N 2 0 293.415 1.377 20 30 CDEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCCSCC#N)C2)CC1 ZINC000173889945 261172410 /nfs/dbraw/zinc/17/24/10/261172410.db2.gz HSMWIRHKAFNCMZ-OAHLLOKOSA-N 2 0 296.484 1.345 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+](C)C(C)C)CC1 ZINC000106271861 261324849 /nfs/dbraw/zinc/32/48/49/261324849.db2.gz XOWDYVRXZSQJMT-UHFFFAOYSA-N 2 0 296.459 1.666 20 30 CDEDRP C#Cc1ccc(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000368022641 267135771 /nfs/dbraw/zinc/13/57/71/267135771.db2.gz PDJCVCDJXNHYCM-IBGZPJMESA-N 2 0 297.446 1.880 20 30 CDEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCCC#N ZINC000371292624 267383108 /nfs/dbraw/zinc/38/31/08/267383108.db2.gz CNODBCWMKXTDEZ-KFWWJZLASA-N 2 0 265.401 1.864 20 30 CDEDRP C=CCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000338548010 327984862 /nfs/dbraw/zinc/98/48/62/327984862.db2.gz QSHNRLWQXXRYJM-UHFFFAOYSA-N 2 0 252.402 1.997 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C)nc1 ZINC000264078820 328157300 /nfs/dbraw/zinc/15/73/00/328157300.db2.gz GQLRQUSTQHBRDM-CQSZACIVSA-N 2 0 275.400 1.279 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCCC[N@@H+](C)Cc1ccccc1 ZINC000264148402 328157906 /nfs/dbraw/zinc/15/79/06/328157906.db2.gz YPLYFXYBJGUDII-UHFFFAOYSA-N 2 0 274.412 1.989 20 30 CDEDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185779030 329331420 /nfs/dbraw/zinc/33/14/20/329331420.db2.gz JNXAQUBSJYYPDC-HRCADAONSA-N 2 0 278.444 1.684 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000261975385 329993132 /nfs/dbraw/zinc/99/31/32/329993132.db2.gz FSCXXZAXOBTTGV-UKRRQHHQSA-N 2 0 266.433 1.977 20 30 CDEDRP C[C@H]1C[NH+]=C(NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)N1 ZINC000262471747 330015605 /nfs/dbraw/zinc/01/56/05/330015605.db2.gz BFLQWMMGQIIUIB-XQQFMLRXSA-N 2 0 266.433 1.680 20 30 CDEDRP C[NH+]=C(NCC1(O)CCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262814726 330033715 /nfs/dbraw/zinc/03/37/15/330033715.db2.gz WKVRFKWEJNXUIC-CQSZACIVSA-N 2 0 294.443 1.037 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1CCC1(C)C ZINC000263190205 330048404 /nfs/dbraw/zinc/04/84/04/330048404.db2.gz YDMMMXRZWLOXPO-RYUDHWBXSA-N 2 0 252.406 1.564 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000424131613 330263764 /nfs/dbraw/zinc/26/37/64/330263764.db2.gz JJOVGOBDAZVRPS-OAHLLOKOSA-N 2 0 292.427 1.531 20 30 CDEDRP CCCC[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424151692 330297204 /nfs/dbraw/zinc/29/72/04/330297204.db2.gz HOKGOMKVBHNNBI-CQSZACIVSA-N 2 0 280.416 1.388 20 30 CDEDRP CC1(C#N)CCC([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000449093278 330898478 /nfs/dbraw/zinc/89/84/78/330898478.db2.gz OJMIAOAXLARYOM-SHARSMKWSA-N 2 0 265.401 1.505 20 30 CDEDRP C#CCNC(=O)CC[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000491122617 332152975 /nfs/dbraw/zinc/15/29/75/332152975.db2.gz WYJZHDQKCYHVQE-RDJZCZTQSA-N 2 0 285.391 1.161 20 30 CDEDRP C#CCNC(=O)C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000491200739 332164333 /nfs/dbraw/zinc/16/43/33/332164333.db2.gz CCMGIXLDIRAFRM-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001024365834 1159400464 /nfs/dbraw/zinc/40/04/64/1159400464.db2.gz ITBWWQUAPWDRJB-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001753788596 1159906542 /nfs/dbraw/zinc/90/65/42/1159906542.db2.gz PJWSWMSNCIHHHO-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)CC2([NH3+])CCC2)CC1 ZINC000237809223 482762606 /nfs/dbraw/zinc/76/26/06/482762606.db2.gz BLKVMZOWLQMGKU-UHFFFAOYSA-N 2 0 251.374 1.025 20 30 CDEDRP CC[C@@]1([NH2+]CC#CC[NH2+][C@@]2(CC)CCOC2)CCOC1 ZINC000671243689 483198529 /nfs/dbraw/zinc/19/85/29/483198529.db2.gz JKXYFMQSBOSJJN-IYBDPMFKSA-N 2 0 280.412 1.307 20 30 CDEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)CCC[C@@H]1C[NH3+] ZINC001206011196 1162006152 /nfs/dbraw/zinc/00/61/52/1162006152.db2.gz ANBSDKWVEASOOP-TZMCWYRMSA-N 2 0 258.369 1.760 20 30 CDEDRP C#CCC[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753010516 1184993244 /nfs/dbraw/zinc/99/32/44/1184993244.db2.gz ANCGRHGBXUGKNL-CQSZACIVSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001113499275 1162196792 /nfs/dbraw/zinc/19/67/92/1162196792.db2.gz QXGWJIOLHLHRDW-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP C[N@@H+](Cc1ccnc(C#N)c1)CC1CC[NH+](C)CC1 ZINC000068766871 523452236 /nfs/dbraw/zinc/45/22/36/523452236.db2.gz ZRWONPOURQCOKC-UHFFFAOYSA-N 2 0 258.369 1.727 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)Nc2cc(N(C)C)cc[nH+]2)CC1 ZINC000753023857 577140647 /nfs/dbraw/zinc/14/06/47/577140647.db2.gz ZKNLWMLWRIZRBX-UHFFFAOYSA-N 2 0 286.379 1.431 20 30 CDEDRP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000981413383 612973160 /nfs/dbraw/zinc/97/31/60/612973160.db2.gz CSGCZINGVBQQDJ-HOTGVXAUSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947935523 613016971 /nfs/dbraw/zinc/01/69/71/613016971.db2.gz QSTSQUOEXGCJJI-LSDHHAIUSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948041073 613017332 /nfs/dbraw/zinc/01/73/32/613017332.db2.gz XVUOADSOCCWZQG-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000972188993 613097008 /nfs/dbraw/zinc/09/70/08/613097008.db2.gz KLJXGCMHBFHXKZ-AWEZNQCLSA-N 2 0 289.379 1.121 20 30 CDEDRP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000951758256 613245026 /nfs/dbraw/zinc/24/50/26/613245026.db2.gz SURLHFAPTUIBGB-GOEBONIOSA-N 2 0 293.455 1.683 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974991005 613341251 /nfs/dbraw/zinc/34/12/51/613341251.db2.gz AXFKIEPCSJOEBX-HNNXBMFYSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000969099643 613385119 /nfs/dbraw/zinc/38/51/19/613385119.db2.gz QJQKYUYEORFTAC-OLZOCXBDSA-N 2 0 285.819 1.414 20 30 CDEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969651812 613531611 /nfs/dbraw/zinc/53/16/11/613531611.db2.gz ARBMVHRHSBWPIQ-GDBMZVCRSA-N 2 0 291.439 1.319 20 30 CDEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000970927432 613536061 /nfs/dbraw/zinc/53/60/61/613536061.db2.gz DQHXUJZGTWTTQC-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000969145107 613686214 /nfs/dbraw/zinc/68/62/14/613686214.db2.gz YEWYKSXMXOQJDY-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC000942288135 613793523 /nfs/dbraw/zinc/79/35/23/613793523.db2.gz ORPGQDRFDMLSMN-BBRMVZONSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000981333688 613860484 /nfs/dbraw/zinc/86/04/84/613860484.db2.gz DLMHYHTWCBJFMJ-HUUCEWRRSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000981333685 613861985 /nfs/dbraw/zinc/86/19/85/613861985.db2.gz DLMHYHTWCBJFMJ-CABCVRRESA-N 2 0 293.455 1.921 20 30 CDEDRP C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000926202383 617511888 /nfs/dbraw/zinc/51/18/88/617511888.db2.gz KPBYFXMVQIMGRN-LSDHHAIUSA-N 2 0 280.460 1.930 20 30 CDEDRP CC(C)C[C@@H](CNC(=[NH2+])NCC1CCC1)[NH+](C)C ZINC000104160412 617698506 /nfs/dbraw/zinc/69/85/06/617698506.db2.gz GTLSXVSMVCKXGY-ZDUSSCGKSA-N 2 0 254.422 1.667 20 30 CDEDRP CN(CCC[N@H+](C)Cc1csc(C#N)c1)CC[NH+](C)C ZINC000894524597 618939608 /nfs/dbraw/zinc/93/96/08/618939608.db2.gz ZNQPFOQBANVRIC-UHFFFAOYSA-N 2 0 294.468 1.935 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000911824376 629552709 /nfs/dbraw/zinc/55/27/09/629552709.db2.gz NNSJEGWFDHQFDA-XQQFMLRXSA-N 2 0 253.390 1.256 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071795806 685304956 /nfs/dbraw/zinc/30/49/56/685304956.db2.gz NPQBMYOHOLVGCC-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001006001864 685325079 /nfs/dbraw/zinc/32/50/79/685325079.db2.gz SHFDNNAQQUYRIX-UHFFFAOYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071873262 685465561 /nfs/dbraw/zinc/46/55/61/685465561.db2.gz UCYFYISEZUMGHH-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC000995822403 685472264 /nfs/dbraw/zinc/47/22/64/685472264.db2.gz APSZOIAYFVGLRV-RBSFLKMASA-N 2 0 293.455 1.729 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028539203 685612244 /nfs/dbraw/zinc/61/22/44/685612244.db2.gz QMBRCJDUMIYCQX-GOEBONIOSA-N 2 0 291.439 1.342 20 30 CDEDRP C=CCC[NH+]1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006291711 684313085 /nfs/dbraw/zinc/31/30/85/684313085.db2.gz IHCOJOJAULOJRH-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001028647244 684372888 /nfs/dbraw/zinc/37/28/88/684372888.db2.gz FWQGPJDOVOZCTL-AWEZNQCLSA-N 2 0 298.390 1.880 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)n2ccnc2)C1 ZINC001000336948 684428822 /nfs/dbraw/zinc/42/88/22/684428822.db2.gz PRIFFIBHJOJMOL-UONOGXRCSA-N 2 0 276.384 1.601 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(SC)CCC1 ZINC000193299511 684435351 /nfs/dbraw/zinc/43/53/51/684435351.db2.gz YFHKGHJWADMVKH-LBPRGKRZSA-N 2 0 284.473 1.661 20 30 CDEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997861485 684477547 /nfs/dbraw/zinc/47/75/47/684477547.db2.gz UDWPAPMYWNBEFN-DZGCQCFKSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001004146906 684618983 /nfs/dbraw/zinc/61/89/83/684618983.db2.gz APCNHZAYVPUSQC-UHFFFAOYSA-N 2 0 265.401 1.239 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2CC)CC1 ZINC000883343401 684711276 /nfs/dbraw/zinc/71/12/76/684711276.db2.gz LTQATBOSWAIQCM-AWEZNQCLSA-N 2 0 280.416 1.030 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH+](C(C)C)C(C)C ZINC000303695421 684731213 /nfs/dbraw/zinc/73/12/13/684731213.db2.gz DOUFERMHDXMPKM-HNNXBMFYSA-N 3 0 297.491 1.494 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001020752202 684793988 /nfs/dbraw/zinc/79/39/88/684793988.db2.gz BUNHQAGTFVIDLS-WKILWMFISA-N 2 0 287.407 1.785 20 30 CDEDRP C=CCC[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034490802 684808581 /nfs/dbraw/zinc/80/85/81/684808581.db2.gz NMYBAJBTJDLFQS-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCCN1CC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001044004071 684816075 /nfs/dbraw/zinc/81/60/75/684816075.db2.gz ZEEGTLJQPHWPNH-OAHLLOKOSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001006441915 684816655 /nfs/dbraw/zinc/81/66/55/684816655.db2.gz GOKAZCHAJZLKFN-INIZCTEOSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001020301366 684852560 /nfs/dbraw/zinc/85/25/60/684852560.db2.gz ZEQXQLJWHKZNDM-JHJVBQTASA-N 2 0 285.819 1.460 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001003629423 684854383 /nfs/dbraw/zinc/85/43/83/684854383.db2.gz AJZRBNNGDHKEID-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001020239129 684891427 /nfs/dbraw/zinc/89/14/27/684891427.db2.gz PHXVPTOCWCCMSI-KKUMJFAQSA-N 2 0 277.412 1.119 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001036095995 684952474 /nfs/dbraw/zinc/95/24/74/684952474.db2.gz ZGYLXQZWZMYROU-HUUCEWRRSA-N 2 0 291.439 1.627 20 30 CDEDRP CC(C)CCNC(=[NH2+])NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000305011834 684957367 /nfs/dbraw/zinc/95/73/67/684957367.db2.gz KRSZSFDEGMFBNW-CQSZACIVSA-N 2 0 268.449 1.915 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997009699 685028593 /nfs/dbraw/zinc/02/85/93/685028593.db2.gz PUZSVBFMTMQYPM-SMDDNHRTSA-N 2 0 299.846 1.517 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015596738 685787631 /nfs/dbraw/zinc/78/76/31/685787631.db2.gz GJKKYBBYLQIIPS-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP CN1CC[NH+]=C1NCCCCC[NH+]1CCCCC1 ZINC000849007670 685813871 /nfs/dbraw/zinc/81/38/71/685813871.db2.gz LGHWNSLZFSENMH-UHFFFAOYSA-N 2 0 252.406 1.534 20 30 CDEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992482820 685924963 /nfs/dbraw/zinc/92/49/63/685924963.db2.gz YAMKDAWQDBSKPA-YQQAZPJKSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001000381292 686182164 /nfs/dbraw/zinc/18/21/64/686182164.db2.gz YEHOVHINEFNABS-CVEARBPZSA-N 2 0 291.439 1.463 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996222544 686243007 /nfs/dbraw/zinc/24/30/07/686243007.db2.gz NIVJXNLQSCRFLC-HNNXBMFYSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=C)C)C2)CC1 ZINC001023128113 686243294 /nfs/dbraw/zinc/24/32/94/686243294.db2.gz PVICKAOMDLELND-IYBDPMFKSA-N 2 0 289.423 1.145 20 30 CDEDRP C=CCC[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001005990381 686243939 /nfs/dbraw/zinc/24/39/39/686243939.db2.gz FWVXHMRBKSGMMY-OAHLLOKOSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001007789414 686372557 /nfs/dbraw/zinc/37/25/57/686372557.db2.gz VBRPSGUSDOBVJK-HNNXBMFYSA-N 2 0 289.423 1.219 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001042359230 686454190 /nfs/dbraw/zinc/45/41/90/686454190.db2.gz YFUJMRJORQXBAK-CVEARBPZSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001029001332 686622361 /nfs/dbraw/zinc/62/23/61/686622361.db2.gz VEUDRUHCPXQZLR-INIZCTEOSA-N 2 0 299.418 1.433 20 30 CDEDRP CC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001018180714 686808411 /nfs/dbraw/zinc/80/84/11/686808411.db2.gz ZMYGVMASPJWIDQ-HRCADAONSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001036055971 686821137 /nfs/dbraw/zinc/82/11/37/686821137.db2.gz SECJLUQZIFSPMW-UONOGXRCSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001072851349 686821461 /nfs/dbraw/zinc/82/14/61/686821461.db2.gz RVPKIXMYKHWDGB-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027449634 686857614 /nfs/dbraw/zinc/85/76/14/686857614.db2.gz FCCXKNNENRLLNO-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007352386 686931151 /nfs/dbraw/zinc/93/11/51/686931151.db2.gz YOIKCCCBVIYGHP-HZPDHXFCSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1CC ZINC001037957166 687046057 /nfs/dbraw/zinc/04/60/57/687046057.db2.gz FRZBJZKDRMNBMF-GJZGRUSLSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001022837361 687067446 /nfs/dbraw/zinc/06/74/46/687067446.db2.gz WHHXOBYPTLMBAT-LXTVHRRPSA-N 2 0 277.412 1.426 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999170152 687069087 /nfs/dbraw/zinc/06/90/87/687069087.db2.gz ZUECQNKNOJLXMO-UYSNPLJNSA-N 2 0 291.439 1.626 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000996476860 687079450 /nfs/dbraw/zinc/07/94/50/687079450.db2.gz IDOQVNXSXUPBGE-HOCLYGCPSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001023273119 687138670 /nfs/dbraw/zinc/13/86/70/687138670.db2.gz JDMRRQWKYSQUQX-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000997009828 687302714 /nfs/dbraw/zinc/30/27/14/687302714.db2.gz OFDQJQCEKGVXLC-ZDUSSCGKSA-N 2 0 253.390 1.093 20 30 CDEDRP C=CCC1(O)CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000717462329 687355322 /nfs/dbraw/zinc/35/53/22/687355322.db2.gz VFMGLKSAXKYZBE-UHFFFAOYSA-N 2 0 252.402 1.731 20 30 CDEDRP C#CC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992149935 687362562 /nfs/dbraw/zinc/36/25/62/687362562.db2.gz GNDQNEQZQXRDFG-RDJZCZTQSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049696651 687399521 /nfs/dbraw/zinc/39/95/21/687399521.db2.gz ZQKAWNZPNHKURI-HZPDHXFCSA-N 2 0 289.423 1.027 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680429 687478656 /nfs/dbraw/zinc/47/86/56/687478656.db2.gz KURUIURQHHLQTM-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001027650225 687525001 /nfs/dbraw/zinc/52/50/01/687525001.db2.gz CQFJMNMTXKISMD-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886171433 687532331 /nfs/dbraw/zinc/53/23/31/687532331.db2.gz HCBSDGNTDYXMSH-HUUCEWRRSA-N 2 0 279.428 1.847 20 30 CDEDRP C=C(Cl)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000852753038 687725162 /nfs/dbraw/zinc/72/51/62/687725162.db2.gz UOWGZIQRURSKAF-RWMBFGLXSA-N 2 0 258.793 1.957 20 30 CDEDRP CC[C@@H]1CN(C(NC[C@@H](C)[N@H+](C)C2CC2)=[NH+]C)CCS1 ZINC000261929591 687809266 /nfs/dbraw/zinc/80/92/66/687809266.db2.gz LJPZEBQTKLQPJA-TZMCWYRMSA-N 2 0 298.500 1.872 20 30 CDEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000104179726 687812716 /nfs/dbraw/zinc/81/27/16/687812716.db2.gz SLPRHLJVYGBWEX-ZDUSSCGKSA-N 2 0 252.406 1.519 20 30 CDEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996979629 687818990 /nfs/dbraw/zinc/81/89/90/687818990.db2.gz NYLBFCFLBARAIC-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C[C@@H](C[NH+]=C(N(C)C)N(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000261987804 687832494 /nfs/dbraw/zinc/83/24/94/687832494.db2.gz KQGMUVXWIZZKNV-OLZOCXBDSA-N 2 0 254.422 1.586 20 30 CDEDRP C=CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071822029 687891636 /nfs/dbraw/zinc/89/16/36/687891636.db2.gz UTUFFHLVAGYOOH-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001046568945 687897006 /nfs/dbraw/zinc/89/70/06/687897006.db2.gz DWKJKZSNBIYNGS-DZKIICNBSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCN(C(=O)C(=C)CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000886573484 687939238 /nfs/dbraw/zinc/93/92/38/687939238.db2.gz KKSAYRBIUJPPLJ-UHFFFAOYSA-N 2 0 277.412 1.050 20 30 CDEDRP C=C(C)CC[NH+]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989480228 687971450 /nfs/dbraw/zinc/97/14/50/687971450.db2.gz DYKBVGVXCSZBOZ-MRXNPFEDSA-N 2 0 293.455 1.829 20 30 CDEDRP C#CC[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046739073 687984130 /nfs/dbraw/zinc/98/41/30/687984130.db2.gz INUHAWJQNSTUFN-QGZVFWFLSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015890505 688029344 /nfs/dbraw/zinc/02/93/44/688029344.db2.gz QLCOZZJDWLVXNU-CQSZACIVSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041789695 688078848 /nfs/dbraw/zinc/07/88/48/688078848.db2.gz SUKPGIYXEOFEKD-INIZCTEOSA-N 2 0 289.423 1.193 20 30 CDEDRP C#CC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001040939121 688089191 /nfs/dbraw/zinc/08/91/91/688089191.db2.gz NFTQSOLPPKUBJU-UHFFFAOYSA-N 2 0 289.423 1.030 20 30 CDEDRP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001050203392 688098452 /nfs/dbraw/zinc/09/84/52/688098452.db2.gz BPMLBSPAQCJBRS-JKSUJKDBSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001029004064 688104823 /nfs/dbraw/zinc/10/48/23/688104823.db2.gz SPBGPLHBCRXUIK-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001007376118 688183627 /nfs/dbraw/zinc/18/36/27/688183627.db2.gz HZUHUUAXDDMABN-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129849585 1162499669 /nfs/dbraw/zinc/49/96/69/1162499669.db2.gz LGRNQCIYWUZWDA-LBPRGKRZSA-N 2 0 273.808 1.319 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130190250 1162566371 /nfs/dbraw/zinc/56/63/71/1162566371.db2.gz XYEHKJGZIBKUSP-HUUCEWRRSA-N 2 0 279.428 1.675 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001700184672 1176789667 /nfs/dbraw/zinc/78/96/67/1176789667.db2.gz NJGHJSFRVOQLQJ-HZPDHXFCSA-N 2 0 293.455 1.567 20 30 CDEDRP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001752811849 1184919992 /nfs/dbraw/zinc/91/99/92/1184919992.db2.gz DTEIXQZCIUVPTD-HOTGVXAUSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001753497934 1185237311 /nfs/dbraw/zinc/23/73/11/1185237311.db2.gz RMPQUMMYHCAFCA-HUUCEWRRSA-N 2 0 281.444 1.921 20 30 CDEDRP C#CC[NH2+]C[C@]1(NC(=O)CCC[NH+](C)C)CCCC[C@H]1C ZINC001753533515 1185248555 /nfs/dbraw/zinc/24/85/55/1185248555.db2.gz KGYJURKPWIXRKX-NVXWUHKLSA-N 2 0 293.455 1.616 20 30 CDEDRP C#CC[NH2+]C[C@@]1(NC(=O)CCC[NH+](C)C)CCCC[C@H]1C ZINC001753533517 1185249367 /nfs/dbraw/zinc/24/93/67/1185249367.db2.gz KGYJURKPWIXRKX-WBVHZDCISA-N 2 0 293.455 1.616 20 30 CDEDRP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001753810012 1185341248 /nfs/dbraw/zinc/34/12/48/1185341248.db2.gz UTUQTMAQAGZGEQ-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001754336412 1185587337 /nfs/dbraw/zinc/58/73/37/1185587337.db2.gz LJAULQRYCMLALN-LSDHHAIUSA-N 2 0 281.444 1.729 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001754821281 1185740644 /nfs/dbraw/zinc/74/06/44/1185740644.db2.gz OUVVSDXHIDQVMF-DZGCQCFKSA-N 2 0 279.428 1.198 20 30 CDEDRP C#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001755046161 1185799672 /nfs/dbraw/zinc/79/96/72/1185799672.db2.gz WOOYSIIDKIUCHA-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001755413593 1185946270 /nfs/dbraw/zinc/94/62/70/1185946270.db2.gz YOXICWGKFBLDSN-LSDHHAIUSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001755505716 1185974493 /nfs/dbraw/zinc/97/44/93/1185974493.db2.gz MMCWFNGKNLXWQK-HOTGVXAUSA-N 2 0 293.455 1.615 20 30 CDEDRP CC[N@@H+]1CCC[C@H](CNC(NCc2ccco2)=[NH+]C)C1 ZINC000303412407 1186569373 /nfs/dbraw/zinc/56/93/73/1186569373.db2.gz YDHFFICINAVLFZ-CYBMUJFWSA-N 2 0 278.400 1.677 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134857858 1164108084 /nfs/dbraw/zinc/10/80/84/1164108084.db2.gz KOVDRFZKISMSOW-UONOGXRCSA-N 2 0 277.412 1.121 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135743166 1164172442 /nfs/dbraw/zinc/17/24/42/1164172442.db2.gz GDXOSIVHRQXVHD-STQMWFEESA-N 2 0 255.406 1.387 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127262735 913338213 /nfs/dbraw/zinc/33/82/13/913338213.db2.gz PVIZTUIYWNGPKY-KBPBESRZSA-N 2 0 265.401 1.143 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175047736 913441086 /nfs/dbraw/zinc/44/10/86/913441086.db2.gz AYTIKLMGVHOBHH-OAHLLOKOSA-N 2 0 293.455 1.616 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001266353088 894517546 /nfs/dbraw/zinc/51/75/46/894517546.db2.gz OCUFPLRCPOFZPR-AWEZNQCLSA-N 2 0 267.417 1.485 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001167260743 894988932 /nfs/dbraw/zinc/98/89/32/894988932.db2.gz HWSOIJJFDKUEQC-AWEZNQCLSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127344591 913951626 /nfs/dbraw/zinc/95/16/26/913951626.db2.gz NWRDEIHKTPTURS-HNNXBMFYSA-N 2 0 293.455 1.923 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001104290521 895421932 /nfs/dbraw/zinc/42/19/32/895421932.db2.gz BHRKSLQAEILPAM-BMFZPTHFSA-N 2 0 293.455 1.587 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001266881142 896271677 /nfs/dbraw/zinc/27/16/77/896271677.db2.gz SNTUJUXFKTZQJD-MRXNPFEDSA-N 2 0 293.455 1.712 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001203407254 897025620 /nfs/dbraw/zinc/02/56/20/897025620.db2.gz HLXQYAYYVGUANA-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167628369 897098180 /nfs/dbraw/zinc/09/81/80/897098180.db2.gz ZZUCUQPLVMBVAJ-CQSZACIVSA-N 2 0 267.417 1.531 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCC(=C)C)CC1 ZINC001176925854 914358324 /nfs/dbraw/zinc/35/83/24/914358324.db2.gz CNQLFUVVRKWIMR-UHFFFAOYSA-N 2 0 291.439 1.394 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176986244 914414598 /nfs/dbraw/zinc/41/45/98/914414598.db2.gz ITNQIYXZUKQAPD-ZDUSSCGKSA-N 2 0 287.835 1.709 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481708429 901869566 /nfs/dbraw/zinc/86/95/66/901869566.db2.gz OXSJYSDUQOLRSZ-KGLIPLIRSA-N 2 0 267.417 1.339 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481138 914746199 /nfs/dbraw/zinc/74/61/99/914746199.db2.gz PWVFLFJQVXOEDV-CQSZACIVSA-N 2 0 265.401 1.000 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088563610 907940286 /nfs/dbraw/zinc/94/02/86/907940286.db2.gz XDCXVEGHIXSMJO-ILXRZTDVSA-N 2 0 279.428 1.624 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000989606796 908953670 /nfs/dbraw/zinc/95/36/70/908953670.db2.gz VBFKCVRJSRQBNF-LSDHHAIUSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001189669570 921593829 /nfs/dbraw/zinc/59/38/29/921593829.db2.gz WSUQGIKMNIORKB-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001171669049 910874065 /nfs/dbraw/zinc/87/40/65/910874065.db2.gz QYOMTDMSGXXGDD-HNNXBMFYSA-N 2 0 291.439 1.513 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203709441 921667479 /nfs/dbraw/zinc/66/74/79/921667479.db2.gz RBFDPKKGPNUWLK-UHFFFAOYSA-N 2 0 279.428 1.629 20 30 CDEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001189913704 921720066 /nfs/dbraw/zinc/72/00/66/921720066.db2.gz WTLSIYJEHZCBCX-JKSUJKDBSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001189898596 921740322 /nfs/dbraw/zinc/74/03/22/921740322.db2.gz OJVCRDKFWHFQIM-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001178612214 915537328 /nfs/dbraw/zinc/53/73/28/915537328.db2.gz LWAISGGYKOLEIT-OAHLLOKOSA-N 2 0 299.434 1.566 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001178815945 915662161 /nfs/dbraw/zinc/66/21/61/915662161.db2.gz PCAQNEHUBCHHIS-CQSZACIVSA-N 2 0 269.433 1.779 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001106910891 915667334 /nfs/dbraw/zinc/66/73/34/915667334.db2.gz UITBIHXBHCFRJA-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001179472793 915850164 /nfs/dbraw/zinc/85/01/64/915850164.db2.gz YRAMTFREFSLUAA-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@H]1C ZINC001179520500 915857303 /nfs/dbraw/zinc/85/73/03/915857303.db2.gz CERBDLWLDRHKOO-KKUMJFAQSA-N 2 0 281.444 1.872 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146337429 932235930 /nfs/dbraw/zinc/23/59/30/932235930.db2.gz CKSFDFVKJYNJMA-QWHCGFSZSA-N 2 0 253.390 1.141 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001179983395 916102116 /nfs/dbraw/zinc/10/21/16/916102116.db2.gz ZQUIODBZSROMGX-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001180260014 916230442 /nfs/dbraw/zinc/23/04/42/916230442.db2.gz QJTLKXUSSIKNCW-CQSZACIVSA-N 2 0 267.417 1.390 20 30 CDEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001484993409 916377388 /nfs/dbraw/zinc/37/73/88/916377388.db2.gz JWWPUCRYSCEECY-GJZGRUSLSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001182473558 917911418 /nfs/dbraw/zinc/91/14/18/917911418.db2.gz UTRRFKXXDJTWHY-CABCVRRESA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001183044544 918271267 /nfs/dbraw/zinc/27/12/67/918271267.db2.gz JUGUQTBYBIMCGR-GJZGRUSLSA-N 2 0 277.412 1.191 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)CCc2ncc[nH]2)C[C@@H]1C ZINC001184273632 918965023 /nfs/dbraw/zinc/96/50/23/918965023.db2.gz LWJOTJGFGXRCLG-UONOGXRCSA-N 2 0 290.411 1.603 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001184557205 919192420 /nfs/dbraw/zinc/19/24/20/919192420.db2.gz UCWAIAFUOKQRMP-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc[nH+]c(CC#N)c1 ZINC001168600734 919392723 /nfs/dbraw/zinc/39/27/23/919392723.db2.gz BVODBLVKVKLKOE-GJZGRUSLSA-N 2 0 258.369 1.854 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185073951 919410693 /nfs/dbraw/zinc/41/06/93/919410693.db2.gz VXUAHUSZJCIJTF-GJZGRUSLSA-N 2 0 281.444 1.588 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185073952 919410705 /nfs/dbraw/zinc/41/07/05/919410705.db2.gz VXUAHUSZJCIJTF-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001185447018 919631594 /nfs/dbraw/zinc/63/15/94/919631594.db2.gz PZDYFZJCJUGDBR-HOTGVXAUSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001185548280 919648006 /nfs/dbraw/zinc/64/80/06/919648006.db2.gz LHLIQWBXXMSKBX-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001108022425 919999103 /nfs/dbraw/zinc/99/91/03/919999103.db2.gz IEXCFLXYZRLJBA-ZBFHGGJFSA-N 2 0 297.443 1.110 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001098219703 936746500 /nfs/dbraw/zinc/74/65/00/936746500.db2.gz PUFUVVHORIHQMH-JJXSEGSLSA-N 2 0 289.423 1.073 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191543180 922628315 /nfs/dbraw/zinc/62/83/15/922628315.db2.gz KRZGNIDKKCUMCA-OAHLLOKOSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170615 922932575 /nfs/dbraw/zinc/93/25/75/922932575.db2.gz OFOSIESDJXFFHW-GJZGRUSLSA-N 2 0 281.444 1.826 20 30 CDEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487748 923725244 /nfs/dbraw/zinc/72/52/44/923725244.db2.gz DXUQVWYTEARCRC-HNNXBMFYSA-N 2 0 297.443 1.064 20 30 CDEDRP N#Cc1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001205663329 924215931 /nfs/dbraw/zinc/21/59/31/924215931.db2.gz HMFMOMOBCDPHNQ-OAHLLOKOSA-N 2 0 259.353 1.234 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001080442780 924570958 /nfs/dbraw/zinc/57/09/58/924570958.db2.gz MVHGGZMMKRZOFE-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084231615 925196432 /nfs/dbraw/zinc/19/64/32/925196432.db2.gz GBFBVUPVYSMNPV-RBSFLKMASA-N 2 0 277.412 1.189 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084775799 925421512 /nfs/dbraw/zinc/42/15/12/925421512.db2.gz UWEKYILNYRXIGS-BZUAXINKSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085593227 926191175 /nfs/dbraw/zinc/19/11/75/926191175.db2.gz FJFGEFXMTWMCRI-JKSUJKDBSA-N 2 0 291.439 1.415 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001102524955 937062984 /nfs/dbraw/zinc/06/29/84/937062984.db2.gz FNCXEAKPVOFMGC-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202239319 926513209 /nfs/dbraw/zinc/51/32/09/926513209.db2.gz WKKIOWNMGKPUOT-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001086180366 926795407 /nfs/dbraw/zinc/79/54/07/926795407.db2.gz LCLJTDRQGOKKNS-XBXGTLAGSA-N 2 0 289.379 1.072 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001086418795 927104873 /nfs/dbraw/zinc/10/48/73/927104873.db2.gz LVAXDJJGYRHZME-MQMHXKEQSA-N 2 0 284.363 1.618 20 30 CDEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001103643789 937149262 /nfs/dbraw/zinc/14/92/62/937149262.db2.gz QGVOSRHDCFPIKC-OWCLPIDISA-N 2 0 291.439 1.036 20 30 CDEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001110671116 928041564 /nfs/dbraw/zinc/04/15/64/928041564.db2.gz SUWVFDZJAJVJOF-OAGGEKHMSA-N 2 0 291.439 1.768 20 30 CDEDRP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150192300 937223140 /nfs/dbraw/zinc/22/31/40/937223140.db2.gz CTLZQXFWNNWWHA-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](C)C)C2 ZINC001108749826 928628976 /nfs/dbraw/zinc/62/89/76/928628976.db2.gz MCIVFRHTCNBJTA-XHSDSOJGSA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CCC)C2 ZINC001108803042 928638022 /nfs/dbraw/zinc/63/80/22/928638022.db2.gz UUNVWIABPJRLDS-JYJNAYRXSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109406147 928923748 /nfs/dbraw/zinc/92/37/48/928923748.db2.gz PMICJYXLLGCKKN-FXUDXRNXSA-N 2 0 289.423 1.071 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109427331 928931953 /nfs/dbraw/zinc/93/19/53/928931953.db2.gz ZXODKXNIHNEBOQ-UGUYLWEFSA-N 2 0 293.455 1.870 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001112843398 929491725 /nfs/dbraw/zinc/49/17/25/929491725.db2.gz UCMKNCVZLXQBMP-INIZCTEOSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001170757352 929792059 /nfs/dbraw/zinc/79/20/59/929792059.db2.gz WENMQNJHTDLZSV-UHFFFAOYSA-N 2 0 293.455 1.780 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135468505 930216728 /nfs/dbraw/zinc/21/67/28/930216728.db2.gz QEXTWSIFTOTZTD-KGLIPLIRSA-N 2 0 281.444 1.777 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135745957 930394412 /nfs/dbraw/zinc/39/44/12/930394412.db2.gz CNSLTZKAKTYUJF-UONOGXRCSA-N 2 0 267.417 1.224 20 30 CDEDRP COc1nc(C)c(N[C@H]([NH3+])CCC[NH3+])c(C)c1C#N ZINC001170899932 930700617 /nfs/dbraw/zinc/70/06/17/930700617.db2.gz NKPDQNDSASUFAJ-NSHDSACASA-N 2 0 263.345 1.014 20 30 CDEDRP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001153728655 937464131 /nfs/dbraw/zinc/46/41/31/937464131.db2.gz PTZCPYOLMZTBTR-HUUCEWRRSA-N 2 0 279.428 1.321 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153824524 937474227 /nfs/dbraw/zinc/47/42/27/937474227.db2.gz SNVVIYQCDJEXHE-UKRRQHHQSA-N 2 0 281.444 1.729 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116903 937505556 /nfs/dbraw/zinc/50/55/56/937505556.db2.gz XWIYZEKLPXXFKU-CYBMUJFWSA-N 2 0 298.390 1.716 20 30 CDEDRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(C#N)nc1)CC2 ZINC001275295292 931727288 /nfs/dbraw/zinc/72/72/88/931727288.db2.gz FMPOTJUEHGRWKN-UHFFFAOYSA-N 2 0 270.380 1.871 20 30 CDEDRP CC1(C#N)CCC([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)CC1 ZINC001246556859 931757028 /nfs/dbraw/zinc/75/70/28/931757028.db2.gz GQHHFDVGSHDDNL-YMAMQOFZSA-N 2 0 265.401 1.635 20 30 CDEDRP C[C@@H](Cc1cccc(C#N)c1)NC(=[NH2+])NCCCC[NH3+] ZINC001171180544 931818375 /nfs/dbraw/zinc/81/83/75/931818375.db2.gz AYWPFJCYLIPKIO-LBPRGKRZSA-N 2 0 273.384 1.342 20 30 CDEDRP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001171224997 932029329 /nfs/dbraw/zinc/02/93/29/932029329.db2.gz WNYKQXOTVRANGU-RRQGHBQHSA-N 2 0 269.392 1.983 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001147458585 932507133 /nfs/dbraw/zinc/50/71/33/932507133.db2.gz LGZAVASCVXJPRC-MRXNPFEDSA-N 2 0 287.407 1.409 20 30 CDEDRP C#CC[NH2+]CCNC(=O)CCC[NH+](CCC)CCC ZINC001147449626 932518152 /nfs/dbraw/zinc/51/81/52/932518152.db2.gz VZQLZWAWQIZPHT-UHFFFAOYSA-N 2 0 267.417 1.228 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001095694430 932751488 /nfs/dbraw/zinc/75/14/88/932751488.db2.gz ZXAZZYNIHRVFEC-KBMXLJTQSA-N 2 0 296.374 1.855 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001114849230 935030305 /nfs/dbraw/zinc/03/03/05/935030305.db2.gz MMVUDUZLUZCKAX-LJISPDSOSA-N 2 0 279.428 1.339 20 30 CDEDRP CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046451278 935952811 /nfs/dbraw/zinc/95/28/11/935952811.db2.gz ZOFZOEJYNISZAK-KRWDZBQOSA-N 2 0 296.374 1.552 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157887437 938557542 /nfs/dbraw/zinc/55/75/42/938557542.db2.gz VOBZPJOJSGODQC-CQSZACIVSA-N 2 0 267.417 1.531 20 30 CDEDRP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001158773940 938662862 /nfs/dbraw/zinc/66/28/62/938662862.db2.gz XIVBPARTJLQGAA-MRXNPFEDSA-N 2 0 293.455 1.664 20 30 CDEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158856683 938670816 /nfs/dbraw/zinc/67/08/16/938670816.db2.gz PXIVASRWDCFNJN-MRXNPFEDSA-N 2 0 291.439 1.418 20 30 CDEDRP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001159628782 938742428 /nfs/dbraw/zinc/74/24/28/938742428.db2.gz PWMMXYSHSPHSSC-MRXNPFEDSA-N 2 0 289.423 1.242 20 30 CDEDRP N#Cc1c(F)ccnc1-n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001160949699 938847410 /nfs/dbraw/zinc/84/74/10/938847410.db2.gz AZVPWYLCGXFVAI-UHFFFAOYSA-N 2 0 281.294 1.932 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H]1CNc1ncnc2c1CC[NH2+]C2 ZINC001160953073 938848608 /nfs/dbraw/zinc/84/86/08/938848608.db2.gz PMCLCTINUPVPSD-LBPRGKRZSA-N 2 0 273.384 1.185 20 30 CDEDRP COc1cc(C#N)nc(NCCC[NH2+]CCCC[NH3+])c1 ZINC001162293292 938972486 /nfs/dbraw/zinc/97/24/86/938972486.db2.gz WKDPIVKHVJWINQ-UHFFFAOYSA-N 2 0 277.372 1.092 20 30 CDEDRP C=CC(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)=[NH+]COC ZINC001163209780 939226141 /nfs/dbraw/zinc/22/61/41/939226141.db2.gz XUJWGMOLBOVNTI-HIFRSBDPSA-N 2 0 259.353 1.868 20 30 CDEDRP N#CCc1cc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc[nH+]1 ZINC001163290583 939241235 /nfs/dbraw/zinc/24/12/35/939241235.db2.gz JUJMWJWWSCSCNQ-XJKSGUPXSA-N 2 0 286.379 1.140 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001165509366 939567785 /nfs/dbraw/zinc/56/77/85/939567785.db2.gz ZHLWPWVQIDAWHM-UHFFFAOYSA-N 2 0 279.428 1.533 20 30 CDEDRP C=CCOC(=O)N1CCC2(CCN(C[C@@H](C)[NH3+])CC2)CC1 ZINC001204847949 939798575 /nfs/dbraw/zinc/79/85/75/939798575.db2.gz IHLCXNLMWKGCIZ-CQSZACIVSA-N 2 0 295.427 1.834 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001205548487 939900430 /nfs/dbraw/zinc/90/04/30/939900430.db2.gz CLOLMWURJRHFPJ-UHFFFAOYSA-N 2 0 293.455 1.568 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001206890145 940108163 /nfs/dbraw/zinc/10/81/63/940108163.db2.gz BIESTXLJALHLTI-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP C=CCCC[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001209162778 940441684 /nfs/dbraw/zinc/44/16/84/940441684.db2.gz MLJFYRZUDFXLAY-UHFFFAOYSA-N 2 0 251.418 1.666 20 30 CDEDRP C#CCCC[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001209269492 940455532 /nfs/dbraw/zinc/45/55/32/940455532.db2.gz MLBIVOWVJAEJRU-UHFFFAOYSA-N 2 0 277.412 1.062 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209315016 940459958 /nfs/dbraw/zinc/45/99/58/940459958.db2.gz NSFKJCOPKULSMM-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001209486501 940595198 /nfs/dbraw/zinc/59/51/98/940595198.db2.gz ZCYGRDPZQFFICG-HUUCEWRRSA-N 2 0 279.428 1.177 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001210198716 940670927 /nfs/dbraw/zinc/67/09/27/940670927.db2.gz QKRSHKOMXLDPRG-HOTGVXAUSA-N 2 0 293.455 1.567 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001210513540 940696031 /nfs/dbraw/zinc/69/60/31/940696031.db2.gz JWCGLBNLIVJTIA-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210750937 940710757 /nfs/dbraw/zinc/71/07/57/940710757.db2.gz PAAPULNGQJEGPO-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211031358 940725890 /nfs/dbraw/zinc/72/58/90/940725890.db2.gz DDRSNJGNPYFUNB-RBSFLKMASA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214969249 940848555 /nfs/dbraw/zinc/84/85/55/940848555.db2.gz MSAQTGCSTVNKGJ-KFWWJZLASA-N 2 0 279.428 1.483 20 30 CDEDRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000402139610 940889221 /nfs/dbraw/zinc/88/92/21/940889221.db2.gz IILGKTZEPKWGHM-CQDKDKBSSA-N 2 0 259.353 1.261 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216382842 940936008 /nfs/dbraw/zinc/93/60/08/940936008.db2.gz DPMYUYFLGVGSBQ-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP N#Cc1c[nH]c2cc(NC(=O)[C@H]([NH3+])CCC[NH3+])ccc12 ZINC001219044413 941302091 /nfs/dbraw/zinc/30/20/91/941302091.db2.gz DBRRADYRGCELAG-GFCCVEGCSA-N 2 0 271.324 1.044 20 30 CDEDRP C#CC[C@]1(C(=O)Nc2ccc(C[NH3+])cc2)CCC[NH2+]1 ZINC001219347935 941333806 /nfs/dbraw/zinc/33/38/06/941333806.db2.gz WSQKVELNOSVUDF-OAHLLOKOSA-N 2 0 257.337 1.229 20 30 CDEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C#N)CC1 ZINC001220094951 941412339 /nfs/dbraw/zinc/41/23/39/941412339.db2.gz OPTYDUAJZDDEFR-IHRRRGAJSA-N 2 0 280.416 1.244 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962661 941556583 /nfs/dbraw/zinc/55/65/83/941556583.db2.gz OHUXZFWSRSZXIF-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP N#Cc1ccc(CC[NH+]2CCC(F)(C[NH3+])CC2)cc1 ZINC001222528668 941608260 /nfs/dbraw/zinc/60/82/60/941608260.db2.gz ZZKYFKUGPQOFAY-UHFFFAOYSA-N 2 0 261.344 1.864 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001223525424 941684046 /nfs/dbraw/zinc/68/40/46/941684046.db2.gz UJLSVJNZABIWAF-HNNXBMFYSA-N 2 0 281.444 1.587 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001225168190 941827827 /nfs/dbraw/zinc/82/78/27/941827827.db2.gz PJQVRTUGQYZREA-INIZCTEOSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235356722 944134500 /nfs/dbraw/zinc/13/45/00/944134500.db2.gz YGLWSESYFONPPD-CVEARBPZSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[NH2+]CCN(Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001236437271 944495831 /nfs/dbraw/zinc/49/58/31/944495831.db2.gz NSIRGZIVXSCMLC-MRXNPFEDSA-N 2 0 274.412 1.411 20 30 CDEDRP CCCCCCCCCNC(=S)N(CC[NH3+])CC[NH3+] ZINC001239439790 945464739 /nfs/dbraw/zinc/46/47/39/945464739.db2.gz XZDAMOYOXGOBOJ-UHFFFAOYSA-N 2 0 288.505 1.831 20 30 CDEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H]1CCCOC1 ZINC001254374626 947396618 /nfs/dbraw/zinc/39/66/18/947396618.db2.gz JRQJEIYOPKCNDG-OAHLLOKOSA-N 2 0 261.369 1.832 20 30 CDEDRP C=CCCCCCC[C@H](O)CN1CCN2CC[NH2+]C[C@H]2C1 ZINC001246029647 947909862 /nfs/dbraw/zinc/90/98/62/947909862.db2.gz RPCHHXPCKWVNPU-IRXDYDNUSA-N 2 0 295.471 1.463 20 30 CDEDRP N#Cc1ccc(CN2CCC([NH2+]C3CC[NH2+]CC3)CC2)cc1 ZINC001246182229 948013905 /nfs/dbraw/zinc/01/39/05/948013905.db2.gz ZHIJGQUCXLMYMZ-UHFFFAOYSA-N 2 0 298.434 1.864 20 30 CDEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246306438 948094569 /nfs/dbraw/zinc/09/45/69/948094569.db2.gz WAEQQHQPWQWACA-ZWNOBZJWSA-N 2 0 275.352 1.319 20 30 CDEDRP N#C[C@@H]1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)C1 ZINC001246518621 948221617 /nfs/dbraw/zinc/22/16/17/948221617.db2.gz ILEZJJWJUVOHMY-KFWWJZLASA-N 2 0 292.427 1.388 20 30 CDEDRP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246560757 948276176 /nfs/dbraw/zinc/27/61/76/948276176.db2.gz PLFDQQIBTQHOLX-WMLDXEAASA-N 2 0 287.407 1.665 20 30 CDEDRP N#C[C@H]1CCC[N@@H+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256697543 948401797 /nfs/dbraw/zinc/40/17/97/948401797.db2.gz FGPSZMJMVPNDRP-QQFBHYJXSA-N 2 0 277.412 1.865 20 30 CDEDRP C=CCOCc1nn([C@H]2CC[NH2+][C@@H](C)C2)c2c1C[NH2+]C2 ZINC001246704027 948410351 /nfs/dbraw/zinc/41/03/51/948410351.db2.gz UBMIOPSUFVCFHD-RYUDHWBXSA-N 2 0 276.384 1.502 20 30 CDEDRP C=C[C@](C)(O)C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001252555386 951446074 /nfs/dbraw/zinc/44/60/74/951446074.db2.gz TWVVGTHVNPLKCU-HNNXBMFYSA-N 2 0 254.418 1.976 20 30 CDEDRP N#Cc1cccnc1NCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001325239462 953788610 /nfs/dbraw/zinc/78/86/10/953788610.db2.gz MUEIXPJWCRSCOX-GJZGRUSLSA-N 2 0 285.395 1.582 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001340946631 963206532 /nfs/dbraw/zinc/20/65/32/963206532.db2.gz XYAPGPSTONCVAW-GJZGRUSLSA-N 2 0 299.459 1.559 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001341618345 963484330 /nfs/dbraw/zinc/48/43/30/963484330.db2.gz HTEMLKYXOYLKCY-HZPDHXFCSA-N 2 0 293.455 1.860 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001449021293 967338356 /nfs/dbraw/zinc/33/83/56/967338356.db2.gz KMNACCXRNWEHPW-CHWSQXEVSA-N 2 0 299.846 1.660 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001100480474 968471780 /nfs/dbraw/zinc/47/17/80/968471780.db2.gz USTGTPCJCMDPGJ-UHFFFAOYSA-N 2 0 296.374 1.456 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001358025224 969680149 /nfs/dbraw/zinc/68/01/49/969680149.db2.gz YCMJXJRMBCVZTF-HZPDHXFCSA-N 2 0 287.407 1.501 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001133083431 1163562468 /nfs/dbraw/zinc/56/24/68/1163562468.db2.gz JZJTYZUNAYRTEB-GDBMZVCRSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133286987 1163625452 /nfs/dbraw/zinc/62/54/52/1163625452.db2.gz AUACVHRYOLTWIM-UHFFFAOYSA-N 2 0 281.444 1.780 20 30 CDEDRP C#CC[C@H](COC)[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001574504159 1170987548 /nfs/dbraw/zinc/98/75/48/1170987548.db2.gz CFOTWXDOHACOAF-JALIKCBVSA-N 2 0 250.386 1.535 20 30 CDEDRP CC#CC[C@H]([NH3+])C(=O)N[C@H](C)CCC[NH+](CC)CC ZINC001574961972 1171063146 /nfs/dbraw/zinc/06/31/46/1171063146.db2.gz CBJPTXUBWIZRIH-KGLIPLIRSA-N 2 0 267.417 1.354 20 30 CDEDRP C[C@@H](CCNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]1CCCCC1 ZINC001575962536 1171305347 /nfs/dbraw/zinc/30/53/47/1171305347.db2.gz SWCQKQMQBZHFQS-KBPBESRZSA-N 2 0 280.416 1.388 20 30 CDEDRP N#C[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000333571172 539052757 /nfs/dbraw/zinc/05/27/57/539052757.db2.gz UDOUDZWUMXFWDX-OEAJRASXSA-N 2 0 277.412 1.646 20 30 CDEDRP N#C[C@H]1CCC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000333761570 539055344 /nfs/dbraw/zinc/05/53/44/539055344.db2.gz AMZSNTRBPRNYHA-ORBLRFAASA-N 2 0 290.455 1.875 20 30 CDEDRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)CC(C)(C)C#N)C2 ZINC000598618930 343844720 /nfs/dbraw/zinc/84/47/20/343844720.db2.gz SJRZEWXFHHPENE-HOCLYGCPSA-N 2 0 279.428 1.705 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)o1 ZINC000600769016 349878549 /nfs/dbraw/zinc/87/85/49/349878549.db2.gz JBCINTRLIDTDPF-HOTGVXAUSA-N 2 0 289.379 1.870 20 30 CDEDRP C[C@H](CCC#N)C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000602476686 344444424 /nfs/dbraw/zinc/44/44/24/344444424.db2.gz UQOLWRMLDWDMKF-CQSZACIVSA-N 2 0 267.417 1.969 20 30 CDEDRP C[C@@H](CNC(=[NH2+])N1CCSCC1)C[NH+]1CCCCC1 ZINC000075127923 346103629 /nfs/dbraw/zinc/10/36/29/346103629.db2.gz IAGQYOKDTBIOKS-ZDUSSCGKSA-N 2 0 284.473 1.472 20 30 CDEDRP COCC[C@H]([NH3+])C[NH2+]C(C)(C)Cc1ccc(C#N)cc1 ZINC001579003186 1172076444 /nfs/dbraw/zinc/07/64/44/1172076444.db2.gz ZLPOJUVEBJIBPG-HNNXBMFYSA-N 2 0 275.396 1.833 20 30 CDEDRP COc1cc(C#N)ccc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000611235635 346704344 /nfs/dbraw/zinc/70/43/44/346704344.db2.gz ZJXIOEVBFKJAJD-KBPBESRZSA-N 2 0 257.337 1.218 20 30 CDEDRP [NH2+]=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)NC1CC1 ZINC000264071735 362958462 /nfs/dbraw/zinc/95/84/62/362958462.db2.gz DKSHVYPHSWJSMM-HNNXBMFYSA-N 2 0 286.423 1.618 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccccc1O ZINC000264100150 362967099 /nfs/dbraw/zinc/96/70/99/362967099.db2.gz NWDMRTXZPYVAFI-CQSZACIVSA-N 2 0 290.411 1.323 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1csc(C)n1 ZINC000264115236 362970240 /nfs/dbraw/zinc/97/02/40/362970240.db2.gz PPHPLLCWHUHEMI-CYBMUJFWSA-N 2 0 295.456 1.383 20 30 CDEDRP CCN(CC)C(=[NH2+])NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000264128623 362974508 /nfs/dbraw/zinc/97/45/08/362974508.db2.gz SULXVGQUVFIRGO-HNNXBMFYSA-N 2 0 292.427 1.954 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]([NH3+])C(C)C)C(C)C ZINC000236752522 358802580 /nfs/dbraw/zinc/80/25/80/358802580.db2.gz RDSQOPGZWCUQQZ-GJZGRUSLSA-N 2 0 281.444 1.785 20 30 CDEDRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)N(C)CCC#N)C1 ZINC000092799486 360285716 /nfs/dbraw/zinc/28/57/16/360285716.db2.gz IGSFTOGLEYBGJZ-AWEZNQCLSA-N 2 0 280.416 1.022 20 30 CDEDRP C=CCCCN(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433165754 361216525 /nfs/dbraw/zinc/21/65/25/361216525.db2.gz IYNTXMGGEHKRBJ-UHFFFAOYSA-N 2 0 267.417 1.614 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000368811827 369599338 /nfs/dbraw/zinc/59/93/38/369599338.db2.gz ACXYOQZJWVBFKB-MRXNPFEDSA-N 2 0 289.423 1.028 20 30 CDEDRP CN(Cc1ccc(C#N)cc1F)C1CC[NH+](CCO)CC1 ZINC000353365005 375279685 /nfs/dbraw/zinc/27/96/85/375279685.db2.gz QCDXBYVSLJFLIG-UHFFFAOYSA-N 2 0 291.370 1.586 20 30 CDEDRP C[NH+]=C(NCc1cn2c(n1)CCCC2)NC(C)(C)C ZINC000263078492 391104268 /nfs/dbraw/zinc/10/42/68/391104268.db2.gz CUPHPCMORTVGSA-UHFFFAOYSA-N 2 0 263.389 1.683 20 30 CDEDRP C=CCN1CC[C@H]([N@@H+]2CCCC3(CC[NH+](C)CC3)C2)C1=O ZINC000366899347 391168934 /nfs/dbraw/zinc/16/89/34/391168934.db2.gz BQBQLFKDHDSVHD-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP C[NH+]=C(NCCc1csc(C)n1)NC[C@@H]1CCC[N@@H+]1C ZINC000262536114 391793782 /nfs/dbraw/zinc/79/37/82/391793782.db2.gz OHTYYCPNRDLCNV-ZDUSSCGKSA-N 2 0 295.456 1.253 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000372785013 391864458 /nfs/dbraw/zinc/86/44/58/391864458.db2.gz NOYFHGZLNWHXGS-QGZVFWFLSA-N 2 0 296.455 1.748 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000065407701 393400846 /nfs/dbraw/zinc/40/08/46/393400846.db2.gz LTUVRCKYVKKEFO-HNNXBMFYSA-N 2 0 291.439 1.180 20 30 CDEDRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000177696936 397839996 /nfs/dbraw/zinc/83/99/96/397839996.db2.gz DNROCJRODKYVJF-UHFFFAOYSA-N 2 0 292.452 1.737 20 30 CDEDRP C=CC[C@@H]1CCCN(C(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000662631648 413225416 /nfs/dbraw/zinc/22/54/16/413225416.db2.gz WZIVLIDENCGGCW-OLZOCXBDSA-N 2 0 253.390 1.080 20 30 CDEDRP C[NH+]1CCC(O)(C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000330677542 261153665 /nfs/dbraw/zinc/15/36/65/261153665.db2.gz VIVCZEQEAQKTNW-UHFFFAOYSA-N 2 0 253.390 1.363 20 30 CDEDRP C=C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414759130 263039700 /nfs/dbraw/zinc/03/97/00/263039700.db2.gz NUZQGEHWVZRQGK-ZIAGYGMSSA-N 2 0 265.401 1.224 20 30 CDEDRP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000330746988 264028591 /nfs/dbraw/zinc/02/85/91/264028591.db2.gz UMHQCCPVCFNYDM-LBPRGKRZSA-N 2 0 298.431 1.087 20 30 CDEDRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)CCC#N)C2)CC1 ZINC000351489220 279369438 /nfs/dbraw/zinc/36/94/38/279369438.db2.gz CQGDSHPDEZMBPD-LSDHHAIUSA-N 2 0 264.417 1.390 20 30 CDEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])Nc1ccccc1 ZINC000267824582 328180514 /nfs/dbraw/zinc/18/05/14/328180514.db2.gz APHPVDNJDRAROA-AWEZNQCLSA-N 2 0 278.400 1.770 20 30 CDEDRP C[C@H]1C[NH+]=C(NCC2(C[NH+]3CCOCC3)CCCCC2)N1 ZINC000262666287 330025522 /nfs/dbraw/zinc/02/55/22/330025522.db2.gz OXPSNVPTIJCCGJ-AWEZNQCLSA-N 2 0 294.443 1.206 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCOC(C)(C)C1 ZINC000263026488 330039133 /nfs/dbraw/zinc/03/91/33/330039133.db2.gz ASMKNLQRFZTRDY-KBPBESRZSA-N 2 0 296.459 1.580 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C)CC[NH3+])CC1 ZINC000422597875 330149726 /nfs/dbraw/zinc/14/97/26/330149726.db2.gz MBGUGVYBLUOGMP-UHFFFAOYSA-N 2 0 282.432 1.454 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000424071379 330219886 /nfs/dbraw/zinc/21/98/86/330219886.db2.gz BHBCOJHCSUFIHA-AWEZNQCLSA-N 2 0 272.352 1.292 20 30 CDEDRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC000424133878 330266339 /nfs/dbraw/zinc/26/63/39/330266339.db2.gz MWRKPMZQTFSVFU-AWEZNQCLSA-N 2 0 274.368 1.708 20 30 CDEDRP C#CCNC(=O)CC[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000491486412 332220826 /nfs/dbraw/zinc/22/08/26/332220826.db2.gz VZZKZMKQSCOLNL-HNNXBMFYSA-N 2 0 279.428 1.370 20 30 CDEDRP C#CCN(Cc1ccccc1)C[C@@H](O)C[N@@H+](C)CCOC ZINC000491516177 332227630 /nfs/dbraw/zinc/22/76/30/332227630.db2.gz RMMKUWDHIUMOQY-KRWDZBQOSA-N 2 0 290.407 1.061 20 30 CDEDRP C#CCNC(=O)CC[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000491802971 332356864 /nfs/dbraw/zinc/35/68/64/332356864.db2.gz HQXJJTSJUZGKRA-QGZVFWFLSA-N 2 0 299.418 1.238 20 30 CDEDRP C[NH+]1CCN(c2cc[nH+]cc2N[C@H]2CC[C@@H](C#N)C2)CC1 ZINC000565695828 334588192 /nfs/dbraw/zinc/58/81/92/334588192.db2.gz NEMRQMWWVATBNC-KGLIPLIRSA-N 2 0 285.395 1.938 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108756676 1162022623 /nfs/dbraw/zinc/02/26/23/1162022623.db2.gz RFQZPOCEIYIXPZ-KKUMJFAQSA-N 2 0 279.428 1.483 20 30 CDEDRP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)C1 ZINC000303878768 1186580831 /nfs/dbraw/zinc/58/08/31/1186580831.db2.gz JHBWTCUQYNXUKW-ZIAGYGMSSA-N 2 0 266.433 1.765 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000970169169 612963493 /nfs/dbraw/zinc/96/34/93/612963493.db2.gz QNJQFZRRAAZQFW-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000971943851 613086326 /nfs/dbraw/zinc/08/63/26/613086326.db2.gz OUIKDISAUBVVHM-OAHLLOKOSA-N 2 0 282.347 1.114 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000972154946 613092987 /nfs/dbraw/zinc/09/29/87/613092987.db2.gz RCHARRQUWTVNLG-HOTGVXAUSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000968780401 613149122 /nfs/dbraw/zinc/14/91/22/613149122.db2.gz FEQWIZWZKVHCMY-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000950501383 613257823 /nfs/dbraw/zinc/25/78/23/613257823.db2.gz APGGRRFIFIBWAY-OAHLLOKOSA-N 2 0 279.428 1.439 20 30 CDEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000969792525 613299617 /nfs/dbraw/zinc/29/96/17/613299617.db2.gz KEKSLEFWEZHVNG-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000968851675 613348936 /nfs/dbraw/zinc/34/89/36/613348936.db2.gz VURDCFJJYCGSEJ-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948738366 613508625 /nfs/dbraw/zinc/50/86/25/613508625.db2.gz DCBKMLWULUDFEX-INIZCTEOSA-N 2 0 293.455 1.685 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000980476540 613617534 /nfs/dbraw/zinc/61/75/34/613617534.db2.gz SNDXUVXLJTZIPS-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000968781674 613683340 /nfs/dbraw/zinc/68/33/40/613683340.db2.gz OVNOGMSGSSSQLJ-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000947684015 613741732 /nfs/dbraw/zinc/74/17/32/613741732.db2.gz FQSWMAXYAZVKHO-DZGCQCFKSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000974832662 613810812 /nfs/dbraw/zinc/81/08/12/613810812.db2.gz XZGQWSZUHMXMNB-OAHLLOKOSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000978434141 613834608 /nfs/dbraw/zinc/83/46/08/613834608.db2.gz XWQARALSODIVPI-QKDCVEJESA-N 2 0 289.423 1.095 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000939256425 613868582 /nfs/dbraw/zinc/86/85/82/613868582.db2.gz CJIDXFVNIODUIY-UKRRQHHQSA-N 2 0 279.428 1.341 20 30 CDEDRP C[NH+]1CCN(CCC[NH2+]CC#Cc2ccccc2)CC1 ZINC000893323660 617571982 /nfs/dbraw/zinc/57/19/82/617571982.db2.gz IQGACBJLJJWACZ-UHFFFAOYSA-N 2 0 271.408 1.265 20 30 CDEDRP CCCNC(=[NH2+])NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000157395251 617985313 /nfs/dbraw/zinc/98/53/13/617985313.db2.gz DTJWFUQQXBTLCT-CYBMUJFWSA-N 2 0 254.422 1.669 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000896209115 620028208 /nfs/dbraw/zinc/02/82/08/620028208.db2.gz UPZIAFPWTAKMSX-CQSZACIVSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CC[N@H+](C)CCCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903176488 625879732 /nfs/dbraw/zinc/87/97/32/625879732.db2.gz BJQQQCCUPCGZJW-ZXFUBFMLSA-N 2 0 275.440 1.689 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])C1 ZINC000911739071 629459732 /nfs/dbraw/zinc/45/97/32/629459732.db2.gz PJERVSYRNGMWNH-KGLIPLIRSA-N 2 0 269.433 1.872 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC(C[NH2+]C)CC1 ZINC000911778265 629493884 /nfs/dbraw/zinc/49/38/84/629493884.db2.gz PCAIJUFDVBIQOY-CYBMUJFWSA-N 2 0 253.390 1.128 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000999153232 693898298 /nfs/dbraw/zinc/89/82/98/693898298.db2.gz NOFJHTKJEXJWOR-OAHLLOKOSA-N 2 0 291.439 1.465 20 30 CDEDRP CCCCCCNC(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C ZINC000303905086 693971462 /nfs/dbraw/zinc/97/14/62/693971462.db2.gz ZEHMFOAHBWJAEJ-ZDUSSCGKSA-N 2 0 254.422 1.811 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001038455111 694014381 /nfs/dbraw/zinc/01/43/81/694014381.db2.gz QVWIEIPSEGIGLP-AWEZNQCLSA-N 2 0 277.412 1.381 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033225014 694043149 /nfs/dbraw/zinc/04/31/49/694043149.db2.gz BZEPRSJRHSLYTE-HNNXBMFYSA-N 2 0 291.439 1.724 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001023273120 694059988 /nfs/dbraw/zinc/05/99/88/694059988.db2.gz JDMRRQWKYSQUQX-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003633845 694064182 /nfs/dbraw/zinc/06/41/82/694064182.db2.gz IHKMKACORZWRHI-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028028824 694125666 /nfs/dbraw/zinc/12/56/66/694125666.db2.gz JZWOQXBFWDVTSE-CQSZACIVSA-N 2 0 282.347 1.162 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021091866 688241171 /nfs/dbraw/zinc/24/11/71/688241171.db2.gz YHJUPDXIDKBLLK-WKILWMFISA-N 2 0 285.391 1.232 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033941811 688301237 /nfs/dbraw/zinc/30/12/37/688301237.db2.gz SFLRLWPPKFDKII-MRXNPFEDSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[N@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046776620 688361215 /nfs/dbraw/zinc/36/12/15/688361215.db2.gz GMSYFYMRCFQFBQ-HNNXBMFYSA-N 2 0 277.412 1.239 20 30 CDEDRP N#Cc1ccc([C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000250055088 688367485 /nfs/dbraw/zinc/36/74/85/688367485.db2.gz LLPOKDVUORUJCR-YESZJQIVSA-N 2 0 285.391 1.808 20 30 CDEDRP C#CCN1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001038777340 688474727 /nfs/dbraw/zinc/47/47/27/688474727.db2.gz ZXRLUFDWKYXJFK-LSDHHAIUSA-N 2 0 277.412 1.073 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001033424550 688476366 /nfs/dbraw/zinc/47/63/66/688476366.db2.gz STTUFVZICUKACF-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001022921726 688510649 /nfs/dbraw/zinc/51/06/49/688510649.db2.gz LHPCXURWNYVVGK-IYBDPMFKSA-N 2 0 293.455 1.920 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001049841075 688526459 /nfs/dbraw/zinc/52/64/59/688526459.db2.gz QOCPUQWNKOHFDJ-ARFHVFGLSA-N 2 0 291.439 1.580 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(C2CC2)CCC1 ZINC000130660582 694219574 /nfs/dbraw/zinc/21/95/74/694219574.db2.gz LAQZUCAIPHEGIU-CQSZACIVSA-N 2 0 278.444 1.955 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032042872 688716646 /nfs/dbraw/zinc/71/66/46/688716646.db2.gz MTZRIGCKRZPVBH-HZPDHXFCSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847343 688735304 /nfs/dbraw/zinc/73/53/04/688735304.db2.gz VNYOTCRQAKWZOQ-HUUCEWRRSA-N 2 0 289.423 1.334 20 30 CDEDRP C=CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046564887 688804553 /nfs/dbraw/zinc/80/45/53/688804553.db2.gz HZXWOVGOUWWRNH-WBVHZDCISA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001041680722 688814103 /nfs/dbraw/zinc/81/41/03/688814103.db2.gz VBMPMWXTGAATKI-WBVHZDCISA-N 2 0 289.423 1.028 20 30 CDEDRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(OCC#N)cc1 ZINC000873251760 688879096 /nfs/dbraw/zinc/87/90/96/688879096.db2.gz OARCDCKKFDJPNN-BZPMIXESSA-N 2 0 259.353 1.977 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001022489259 688897476 /nfs/dbraw/zinc/89/74/76/688897476.db2.gz KCBIBWJCZQNCDH-XHSDSOJGSA-N 2 0 291.439 1.674 20 30 CDEDRP N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCC1 ZINC000886019421 694334402 /nfs/dbraw/zinc/33/44/02/694334402.db2.gz UDBRQTGWJLSIKJ-HOTGVXAUSA-N 2 0 291.439 1.849 20 30 CDEDRP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024447400 694355344 /nfs/dbraw/zinc/35/53/44/694355344.db2.gz VXRHHGFUTMALIX-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033398504 694405514 /nfs/dbraw/zinc/40/55/14/694405514.db2.gz XIJRVLIHFRFOAC-HNNXBMFYSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000923380978 692144473 /nfs/dbraw/zinc/14/44/73/692144473.db2.gz YTCWSEGKBSYONN-JYJNAYRXSA-N 2 0 282.428 1.532 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001014779838 692286722 /nfs/dbraw/zinc/28/67/22/692286722.db2.gz NZFWNHIJJRCLRY-CVEARBPZSA-N 2 0 289.423 1.241 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000262015957 692387274 /nfs/dbraw/zinc/38/72/74/692387274.db2.gz WDFKJVYZYTYVQL-CYBMUJFWSA-N 2 0 266.433 1.977 20 30 CDEDRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=[NH2+])N(C)C2CC2)C1 ZINC000305831076 692400219 /nfs/dbraw/zinc/40/02/19/692400219.db2.gz UGMCQXBTFLIYHW-ZDUSSCGKSA-N 2 0 266.433 1.763 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCCC[N@H+](C)C2CCCCC2)N1 ZINC000380817047 692465582 /nfs/dbraw/zinc/46/55/82/692465582.db2.gz VYSOVEAEQUVRKJ-GFCCVEGCSA-N 2 0 252.406 1.578 20 30 CDEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])N[C@@H](C)CC ZINC000304832153 692466850 /nfs/dbraw/zinc/46/68/50/692466850.db2.gz LADMEEGQYHGUDL-RYUDHWBXSA-N 2 0 258.410 1.046 20 30 CDEDRP C=C(Cl)CN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032945084 692632933 /nfs/dbraw/zinc/63/29/33/692632933.db2.gz NLQVHIABONXPCH-STQMWFEESA-N 2 0 285.819 1.366 20 30 CDEDRP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000985656925 692644549 /nfs/dbraw/zinc/64/45/49/692644549.db2.gz ZVYAYLKRWOSLEX-HOCLYGCPSA-N 2 0 293.455 1.683 20 30 CDEDRP CCC(CC)[C@@H](CNC(NC)=[NH+]C)[NH+]1CCCC1 ZINC000303256603 692647650 /nfs/dbraw/zinc/64/76/50/692647650.db2.gz IHTYFRLZSHNWEW-CYBMUJFWSA-N 2 0 254.422 1.682 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995552757 694547530 /nfs/dbraw/zinc/54/75/30/694547530.db2.gz RQGJDLLHNNRZKA-STQMWFEESA-N 2 0 299.846 1.660 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014724868 692770074 /nfs/dbraw/zinc/77/00/74/692770074.db2.gz XSDDLHWIWHIBTK-GDBMZVCRSA-N 2 0 291.439 1.770 20 30 CDEDRP C#CCOCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000851860665 692844155 /nfs/dbraw/zinc/84/41/55/692844155.db2.gz KDXXZNLOLSDDEJ-GOEBONIOSA-N 2 0 262.397 1.585 20 30 CDEDRP N#Cc1ccc([C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037904437 692852193 /nfs/dbraw/zinc/85/21/93/692852193.db2.gz KODSIHCAMZMQOU-PBHICJAKSA-N 2 0 285.391 1.666 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001019149757 692871845 /nfs/dbraw/zinc/87/18/45/692871845.db2.gz DDAOOZKPJHKLLI-AWEZNQCLSA-N 2 0 284.363 1.715 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033081761 692874983 /nfs/dbraw/zinc/87/49/83/692874983.db2.gz NWFMQEBAMLWDTM-CABCVRRESA-N 2 0 277.412 1.047 20 30 CDEDRP C=CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CC[C@H](C)C3)CCC[C@H]12 ZINC000992193384 692986322 /nfs/dbraw/zinc/98/63/22/692986322.db2.gz VFFGUXAFWSUPGC-YQQAZPJKSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CCOCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000851860664 692988159 /nfs/dbraw/zinc/98/81/59/692988159.db2.gz KDXXZNLOLSDDEJ-GDBMZVCRSA-N 2 0 262.397 1.585 20 30 CDEDRP C#CCOCC[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000851798116 693050460 /nfs/dbraw/zinc/05/04/60/693050460.db2.gz JMVXBANZXDYPJM-HNNXBMFYSA-N 2 0 268.401 1.069 20 30 CDEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001005406438 693111477 /nfs/dbraw/zinc/11/14/77/693111477.db2.gz ARHCFYDRMUYGOF-GDBMZVCRSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001032627663 693185126 /nfs/dbraw/zinc/18/51/26/693185126.db2.gz DKPWZEONRIMCSA-KKUMJFAQSA-N 2 0 277.412 1.189 20 30 CDEDRP C=CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001033416577 693263165 /nfs/dbraw/zinc/26/31/65/693263165.db2.gz QHSWRIRHHQBIIF-ZIAGYGMSSA-N 2 0 265.401 1.189 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3ccnc3)C[C@H]21 ZINC001042379394 693265548 /nfs/dbraw/zinc/26/55/48/693265548.db2.gz KUFYZMUTJPDWDH-LSDHHAIUSA-N 2 0 288.395 1.382 20 30 CDEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001016971963 693355373 /nfs/dbraw/zinc/35/53/73/693355373.db2.gz PDPDBAJEVXVNOI-OAHLLOKOSA-N 2 0 291.439 1.629 20 30 CDEDRP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CC[NH+](C)CC1 ZINC000886573488 693357630 /nfs/dbraw/zinc/35/76/30/693357630.db2.gz KMQJGNDLLOSTSZ-ZIAGYGMSSA-N 2 0 286.379 1.069 20 30 CDEDRP COc1ccc(C[NH2+]CCOCC[NH+](C)C)cc1C#N ZINC000230004864 693419289 /nfs/dbraw/zinc/41/92/89/693419289.db2.gz IEJCEECLSDKFAC-UHFFFAOYSA-N 2 0 277.368 1.235 20 30 CDEDRP C=CCC[NH+]1CCC(C)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001045622572 693425114 /nfs/dbraw/zinc/42/51/14/693425114.db2.gz ISXIMNDWUXCALO-UHFFFAOYSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033665578 693456688 /nfs/dbraw/zinc/45/66/88/693456688.db2.gz PEMQMFRLFFVPQF-AWEZNQCLSA-N 2 0 265.401 1.191 20 30 CDEDRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCOCC1 ZINC000303888192 693469267 /nfs/dbraw/zinc/46/92/67/693469267.db2.gz OTBQWKZZRWVNFD-CQSZACIVSA-N 2 0 282.432 1.288 20 30 CDEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001016544215 694747765 /nfs/dbraw/zinc/74/77/65/694747765.db2.gz UUJQFLRFNWLGEB-HUUCEWRRSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001039437607 694814892 /nfs/dbraw/zinc/81/48/92/694814892.db2.gz QEVDHPHYVZENEI-XHSDSOJGSA-N 2 0 291.439 1.580 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001033686348 694829046 /nfs/dbraw/zinc/82/90/46/694829046.db2.gz PFRNRPDXGOSSMR-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000997072341 694616369 /nfs/dbraw/zinc/61/63/69/694616369.db2.gz NBACBRBSJZWMEO-OAHLLOKOSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001074684278 694623000 /nfs/dbraw/zinc/62/30/00/694623000.db2.gz JXBMAICXQBCRAC-JYJNAYRXSA-N 2 0 293.455 1.729 20 30 CDEDRP C#CCN1CCC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000886209489 694675190 /nfs/dbraw/zinc/67/51/90/694675190.db2.gz NUSPARGONXCPHL-HNNXBMFYSA-N 2 0 295.390 1.455 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009510599 694750154 /nfs/dbraw/zinc/75/01/54/694750154.db2.gz RYLIKMQUDHDUAR-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000989606933 694840016 /nfs/dbraw/zinc/84/00/16/694840016.db2.gz XCOJEDYGPVCVBB-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2cncc2C)C[C@@H]1C ZINC001036113896 694844849 /nfs/dbraw/zinc/84/48/49/694844849.db2.gz USCJKQCXWZOEGD-ZFWWWQNUSA-N 2 0 290.411 1.594 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028658900 694847773 /nfs/dbraw/zinc/84/77/73/694847773.db2.gz JEORDMPWTKPSLQ-AWEZNQCLSA-N 2 0 277.412 1.239 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001019189267 694866393 /nfs/dbraw/zinc/86/63/93/694866393.db2.gz DGXZBNVDZBEKBS-LSDHHAIUSA-N 2 0 277.412 1.237 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001020239118 694867067 /nfs/dbraw/zinc/86/70/67/694867067.db2.gz OSOGZGXUGIPILX-KKUMJFAQSA-N 2 0 279.428 1.672 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000805336033 694869348 /nfs/dbraw/zinc/86/93/48/694869348.db2.gz BWBCLPWUMQLCGN-KGLIPLIRSA-N 2 0 265.401 1.189 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034042905 694872821 /nfs/dbraw/zinc/87/28/21/694872821.db2.gz RSNBYRKECNFUND-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001036131718 694875823 /nfs/dbraw/zinc/87/58/23/694875823.db2.gz LFJKUDXDPRDBSU-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996301205 694878252 /nfs/dbraw/zinc/87/82/52/694878252.db2.gz SDWMSAYTSBXODP-GJZGRUSLSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001020174888 694886890 /nfs/dbraw/zinc/88/68/90/694886890.db2.gz WJQURCMWLPQNPO-ZQDZILKHSA-N 2 0 279.428 1.530 20 30 CDEDRP C=CCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926116248 695043236 /nfs/dbraw/zinc/04/32/36/695043236.db2.gz QTCKGPRQFPXQPX-GOOCMWNKSA-N 2 0 268.401 1.420 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1(C)C ZINC000996198183 695043775 /nfs/dbraw/zinc/04/37/75/695043775.db2.gz UASVKPVXMRBQCF-SOUVJXGZSA-N 2 0 291.439 1.177 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC000987572344 695094348 /nfs/dbraw/zinc/09/43/48/695094348.db2.gz UFCSSBPQJUETQL-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001039393493 695149744 /nfs/dbraw/zinc/14/97/44/695149744.db2.gz IMRJIPSADOXXTF-OWCLPIDISA-N 2 0 291.439 1.415 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430142 1162473794 /nfs/dbraw/zinc/47/37/94/1162473794.db2.gz PDJCWTKZIRMNDC-AWEZNQCLSA-N 2 0 299.846 1.852 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001754704271 1159435812 /nfs/dbraw/zinc/43/58/12/1159435812.db2.gz ZWJNSDHTDKDEQE-HNNXBMFYSA-N 2 0 267.417 1.342 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131822285 1163063127 /nfs/dbraw/zinc/06/31/27/1163063127.db2.gz LSDOJEFGWOPQQB-UHFFFAOYSA-N 2 0 279.428 1.370 20 30 CDEDRP C=CCCC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001755385685 1160124570 /nfs/dbraw/zinc/12/45/70/1160124570.db2.gz AYHPCDHMTJHALL-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132884806 1163499814 /nfs/dbraw/zinc/49/98/14/1163499814.db2.gz WGUBTUMDCSSODJ-CABCVRRESA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132888922 1163500674 /nfs/dbraw/zinc/50/06/74/1163500674.db2.gz SUPDNDDQNOZXIO-LSDHHAIUSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001133063518 1163556046 /nfs/dbraw/zinc/55/60/46/1163556046.db2.gz BULCBDBOCBZQAN-HUUCEWRRSA-N 2 0 293.455 1.588 20 30 CDEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001133191660 1163602476 /nfs/dbraw/zinc/60/24/76/1163602476.db2.gz RFBUUDYBFCSMSC-CABCVRRESA-N 2 0 279.428 1.036 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001198275272 1164412672 /nfs/dbraw/zinc/41/26/72/1164412672.db2.gz ZOMWEGWRFOUJEJ-UHFFFAOYSA-N 2 0 267.417 1.437 20 30 CDEDRP N#Cc1c(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)ncc2c1CCC[NH2+]C2 ZINC001155580833 1167241434 /nfs/dbraw/zinc/24/14/34/1167241434.db2.gz OHGJGHCZCDRYIP-RLCCDNCMSA-N 2 0 297.406 1.399 20 30 CDEDRP C=CC1(CC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)C[NH2+]C1 ZINC001574879453 1171034902 /nfs/dbraw/zinc/03/49/02/1171034902.db2.gz DLIYQQYEXSGIKH-CQSZACIVSA-N 2 0 277.412 1.285 20 30 CDEDRP COc1cc(C#N)ccc1OCC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC001579139177 1172104092 /nfs/dbraw/zinc/10/40/92/1172104092.db2.gz OKBYTWFPMSIZHS-INIZCTEOSA-N 2 0 291.395 1.909 20 30 CDEDRP N#CC1(C[C@H](O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC001580038292 1172330663 /nfs/dbraw/zinc/33/06/63/1172330663.db2.gz JZCRXBLNAQIZFO-FQUUOJAGSA-N 2 0 263.385 1.100 20 30 CDEDRP Cc1ccccc1NC(=[NH2+])NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000170913129 1181227350 /nfs/dbraw/zinc/22/73/50/1181227350.db2.gz NDBQWWJQITXOIU-CQSZACIVSA-N 2 0 289.427 1.358 20 30 CDEDRP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001752786673 1184913486 /nfs/dbraw/zinc/91/34/86/1184913486.db2.gz XHYGQJQFBGQGPJ-HNNXBMFYSA-N 2 0 281.444 1.733 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001752795095 1184916241 /nfs/dbraw/zinc/91/62/41/1184916241.db2.gz QGTZWMRKBCZMPY-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+]CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001753262641 1185136368 /nfs/dbraw/zinc/13/63/68/1185136368.db2.gz GRNYPKNMIWJQQB-UHFFFAOYSA-N 2 0 267.417 1.487 20 30 CDEDRP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001753356041 1185167078 /nfs/dbraw/zinc/16/70/78/1185167078.db2.gz WHBRLNVFMTUSLS-OAHLLOKOSA-N 2 0 291.439 1.132 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001753439254 1185209473 /nfs/dbraw/zinc/20/94/73/1185209473.db2.gz MDQOLTTXDWWSLK-AWEZNQCLSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001753494042 1185234839 /nfs/dbraw/zinc/23/48/39/1185234839.db2.gz WNDJPTBTBMOTDF-HOCLYGCPSA-N 2 0 279.428 1.533 20 30 CDEDRP C=CCC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001753707533 1185310863 /nfs/dbraw/zinc/31/08/63/1185310863.db2.gz OFBKDGSNNKKOQO-AWEZNQCLSA-N 2 0 281.444 1.873 20 30 CDEDRP CC#CC[N@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001753869227 1185373882 /nfs/dbraw/zinc/37/38/82/1185373882.db2.gz LUYBFPKAPRQIFK-UHFFFAOYSA-N 2 0 279.428 1.276 20 30 CDEDRP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001754285985 1185551214 /nfs/dbraw/zinc/55/12/14/1185551214.db2.gz TVHPWRFYJMCCLA-LSDHHAIUSA-N 2 0 281.444 1.921 20 30 CDEDRP C#CCC[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001754535699 1185662999 /nfs/dbraw/zinc/66/29/99/1185662999.db2.gz NXGADJINZAKUKI-UHFFFAOYSA-N 2 0 299.418 1.624 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001755314979 1185912582 /nfs/dbraw/zinc/91/25/82/1185912582.db2.gz ZQUAHMCBPRXGGN-AWEZNQCLSA-N 2 0 281.444 1.731 20 30 CDEDRP CC#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001755528794 1185979763 /nfs/dbraw/zinc/97/97/63/1185979763.db2.gz YIYKZUVVCQBEHK-HNNXBMFYSA-N 2 0 277.412 1.027 20 30 CDEDRP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001755589850 1186004338 /nfs/dbraw/zinc/00/43/38/1186004338.db2.gz BYKKHTNYQWPZTR-KGLIPLIRSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](C)C ZINC001032632846 723197545 /nfs/dbraw/zinc/19/75/45/723197545.db2.gz IQXHGDIZRZJJTP-IHRRRGAJSA-N 2 0 265.401 1.188 20 30 CDEDRP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034216205 723224545 /nfs/dbraw/zinc/22/45/45/723224545.db2.gz FOTLYWDPAMCYQQ-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000997949913 723408833 /nfs/dbraw/zinc/40/88/33/723408833.db2.gz QBNWALMVJODIRQ-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001027879635 723419303 /nfs/dbraw/zinc/41/93/03/723419303.db2.gz VSDGVCRESGNHIF-HOTGVXAUSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000994062025 723592158 /nfs/dbraw/zinc/59/21/58/723592158.db2.gz WEBHPHQZXNOLAR-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CCN1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001009639093 723632674 /nfs/dbraw/zinc/63/26/74/723632674.db2.gz VTSPPUQUDVJSLM-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCO[C@@H](C)C#N)C[C@H]1C ZINC000801924873 723673717 /nfs/dbraw/zinc/67/37/17/723673717.db2.gz XEGINNICIQZRBB-RDBSUJKOSA-N 2 0 253.390 1.720 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001031684706 723159806 /nfs/dbraw/zinc/15/98/06/723159806.db2.gz ZRSRNYXZWULWTI-LSDHHAIUSA-N 2 0 279.428 1.341 20 30 CDEDRP CC(C)(C)C#CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000877199009 723203852 /nfs/dbraw/zinc/20/38/52/723203852.db2.gz CPQWCBVXXUIVDU-UHFFFAOYSA-N 2 0 286.379 1.479 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCC#N ZINC000170915076 723335626 /nfs/dbraw/zinc/33/56/26/723335626.db2.gz HPBBDSPVFAJQHT-GFCCVEGCSA-N 2 0 251.378 1.069 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001054905307 723376968 /nfs/dbraw/zinc/37/69/68/723376968.db2.gz CTTHIHDMAKJOQE-SWLSCSKDSA-N 2 0 284.363 1.570 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001009510592 723446848 /nfs/dbraw/zinc/44/68/48/723446848.db2.gz RYLIKMQUDHDUAR-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034490377 723659016 /nfs/dbraw/zinc/65/90/16/723659016.db2.gz KYPMWZWFYBNPJJ-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCCn1cc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)nn1 ZINC001574920502 1167644044 /nfs/dbraw/zinc/64/40/44/1167644044.db2.gz ABRDHHPRRTYEDA-HDJSIYSDSA-N 2 0 277.416 1.709 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001566682057 1168385630 /nfs/dbraw/zinc/38/56/30/1168385630.db2.gz NLTFTQRHRYLRQS-OAHLLOKOSA-N 2 0 277.412 1.076 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001175317199 913539435 /nfs/dbraw/zinc/53/94/35/913539435.db2.gz MTYQXUUSXYSRNV-KGLIPLIRSA-N 2 0 267.417 1.224 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001106211226 913621959 /nfs/dbraw/zinc/62/19/59/913621959.db2.gz WROWRKNXVYFGLZ-OAGGEKHMSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001020430297 894057907 /nfs/dbraw/zinc/05/79/07/894057907.db2.gz KCBIBWJCZQNCDH-BZUAXINKSA-N 2 0 291.439 1.674 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1ccnc1)C2 ZINC001110193259 913979026 /nfs/dbraw/zinc/97/90/26/913979026.db2.gz WVTUYSSYGBATBL-ILXRZTDVSA-N 2 0 288.395 1.571 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001206281845 914234136 /nfs/dbraw/zinc/23/41/36/914234136.db2.gz NQHSDAHPZOLRBE-HOCLYGCPSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176760080 914260829 /nfs/dbraw/zinc/26/08/29/914260829.db2.gz PQDLNXVQBXCYCN-HZPDHXFCSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015655321 914294699 /nfs/dbraw/zinc/29/46/99/914294699.db2.gz NCVBJUQXMPZTIA-AWEZNQCLSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001106797073 914314025 /nfs/dbraw/zinc/31/40/25/914314025.db2.gz HLGDYGCWCPDZAY-HZPDHXFCSA-N 2 0 291.439 1.036 20 30 CDEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001104939606 899688157 /nfs/dbraw/zinc/68/81/57/899688157.db2.gz YTXCKVLLKCCBOX-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176986513 914414993 /nfs/dbraw/zinc/41/49/93/914414993.db2.gz QCOUXJHTJFSLBE-ZDUSSCGKSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001028093930 901319017 /nfs/dbraw/zinc/31/90/17/901319017.db2.gz RSEIPUYUFGKWLG-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001028537500 902590616 /nfs/dbraw/zinc/59/06/16/902590616.db2.gz MLQYIFOWRCDHLC-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189109774 921313461 /nfs/dbraw/zinc/31/34/61/921313461.db2.gz DFDLNRHWCDVWBN-ARFHVFGLSA-N 2 0 291.439 1.273 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088571759 907989277 /nfs/dbraw/zinc/98/92/77/907989277.db2.gz MMGUGXKCUSMDHD-BMFZPTHFSA-N 2 0 291.439 1.483 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001203699801 921421714 /nfs/dbraw/zinc/42/17/14/921421714.db2.gz UBBPXLITNPKZJC-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001088811005 909519450 /nfs/dbraw/zinc/51/94/50/909519450.db2.gz GCYCIKROQFGDOE-OAGGEKHMSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036811632 909787056 /nfs/dbraw/zinc/78/70/56/909787056.db2.gz UAKKAKNBPWDNEI-HOTGVXAUSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)CC[N@@H+](C)CCC ZINC001171725488 910901168 /nfs/dbraw/zinc/90/11/68/910901168.db2.gz MNRCNRBSPQOXMC-UHFFFAOYSA-N 2 0 255.406 1.390 20 30 CDEDRP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033098942 921736707 /nfs/dbraw/zinc/73/67/07/921736707.db2.gz LFGCQTQNNCDFBY-OWCLPIDISA-N 2 0 291.439 1.273 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001031712454 915012254 /nfs/dbraw/zinc/01/22/54/915012254.db2.gz ZLJLLBITRYQFPY-AWEZNQCLSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031729606 915153279 /nfs/dbraw/zinc/15/32/79/915153279.db2.gz RBGCOFXFQPAKHR-INIZCTEOSA-N 2 0 293.455 1.588 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001179586933 915887608 /nfs/dbraw/zinc/88/76/08/915887608.db2.gz VRETZTKFJINMGO-MRXNPFEDSA-N 2 0 293.455 1.618 20 30 CDEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001179987449 916104033 /nfs/dbraw/zinc/10/40/33/916104033.db2.gz XDUBUFPVIZNOGV-GJZGRUSLSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001181525644 917124087 /nfs/dbraw/zinc/12/40/87/917124087.db2.gz PNVAVNNTZXODEI-KCYZZUKISA-N 2 0 293.455 1.587 20 30 CDEDRP N#C[C@@H]1CC[C@H]([NH2+]CCCOCCOCCC[NH3+])C1 ZINC001254637304 936412496 /nfs/dbraw/zinc/41/24/96/936412496.db2.gz OMZYUSMKTBEOBD-KGLIPLIRSA-N 2 0 269.389 1.040 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001054853671 936475194 /nfs/dbraw/zinc/47/51/94/936475194.db2.gz IUJQQOGXMYZJQZ-ZIAGYGMSSA-N 2 0 277.412 1.237 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001001010426 936545647 /nfs/dbraw/zinc/54/56/47/936545647.db2.gz URQALOANSRDGBB-JKSUJKDBSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000997286671 919102994 /nfs/dbraw/zinc/10/29/94/919102994.db2.gz GQVLRQVHNBIGHL-CQSZACIVSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185087241 919399988 /nfs/dbraw/zinc/39/99/88/919399988.db2.gz WVZHXOYSPRCIEU-GJZGRUSLSA-N 2 0 279.428 1.036 20 30 CDEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185082320 919414806 /nfs/dbraw/zinc/41/48/06/919414806.db2.gz BCPCSNCXFNLRHI-JKSUJKDBSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1C ZINC001185357701 919543389 /nfs/dbraw/zinc/54/33/89/919543389.db2.gz DSOZMXFVTNMPMR-HOTGVXAUSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999176370 919686388 /nfs/dbraw/zinc/68/63/88/919686388.db2.gz WJYCMJUKMKTYFN-HOTGVXAUSA-N 2 0 291.439 1.485 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)Cc2ccccc2)C1 ZINC001188361685 921012660 /nfs/dbraw/zinc/01/26/60/921012660.db2.gz PTMCMZRIVARFOS-QGZVFWFLSA-N 2 0 299.418 1.332 20 30 CDEDRP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237974 921926807 /nfs/dbraw/zinc/92/68/07/921926807.db2.gz GQGLERSERBINSE-BZUAXINKSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033390240 922197296 /nfs/dbraw/zinc/19/72/96/922197296.db2.gz JAZYDYCOCZFJLE-MRXNPFEDSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001075042500 936742665 /nfs/dbraw/zinc/74/26/65/936742665.db2.gz VCBZOFBNVKXDMK-KKUMJFAQSA-N 2 0 279.428 1.483 20 30 CDEDRP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001034016818 922449920 /nfs/dbraw/zinc/44/99/20/922449920.db2.gz OSGLJJMKVIGDSZ-OAHLLOKOSA-N 2 0 289.423 1.028 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034042902 922462893 /nfs/dbraw/zinc/46/28/93/922462893.db2.gz RSNBYRKECNFUND-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170357 922930206 /nfs/dbraw/zinc/93/02/06/922930206.db2.gz JRKQPPHXYKBDDF-CQSZACIVSA-N 2 0 267.417 1.437 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192387152 923049025 /nfs/dbraw/zinc/04/90/25/923049025.db2.gz VHVITTSYXBJFII-CQSZACIVSA-N 2 0 281.444 1.683 20 30 CDEDRP C=CCN1CC[C@@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001273143767 923223802 /nfs/dbraw/zinc/22/38/02/923223802.db2.gz KWXZSKFELBAPGD-NVXWUHKLSA-N 2 0 291.439 1.439 20 30 CDEDRP C[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)CC[C@H]1C[NH3+] ZINC001205626815 923562414 /nfs/dbraw/zinc/56/24/14/923562414.db2.gz JMEAQDRWFCQLKR-OCCSQVGLSA-N 2 0 258.369 1.760 20 30 CDEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001193609785 923801570 /nfs/dbraw/zinc/80/15/70/923801570.db2.gz IVNULRNIXOBMIV-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001194266671 924140545 /nfs/dbraw/zinc/14/05/45/924140545.db2.gz XZFPKKWDNLRSJD-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001080998983 924671485 /nfs/dbraw/zinc/67/14/85/924671485.db2.gz WNTITYPNNJZGCO-OAGGEKHMSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001164538643 924917034 /nfs/dbraw/zinc/91/70/34/924917034.db2.gz KPCSOJUVCDYRMZ-OAHLLOKOSA-N 2 0 297.443 1.158 20 30 CDEDRP C=CCC[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197871377 925251050 /nfs/dbraw/zinc/25/10/50/925251050.db2.gz RTYVJQMRMPWAGQ-UHFFFAOYSA-N 2 0 281.444 1.829 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001084522400 925275531 /nfs/dbraw/zinc/27/55/31/925275531.db2.gz ZMPUVZPTDFJFAQ-CZUORRHYSA-N 2 0 296.374 1.667 20 30 CDEDRP C=C(C)C[N@@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198243706 925376253 /nfs/dbraw/zinc/37/62/53/925376253.db2.gz NDJDIWSNULPCTF-UHFFFAOYSA-N 2 0 293.455 1.973 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202330190 926537418 /nfs/dbraw/zinc/53/74/18/926537418.db2.gz CVTJQOCDUKFWCW-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001103147941 937124142 /nfs/dbraw/zinc/12/41/42/937124142.db2.gz HANRGDSYVZQETO-OAGGEKHMSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086386987 927063198 /nfs/dbraw/zinc/06/31/98/927063198.db2.gz NMQUQBHCYMWWNN-JYJNAYRXSA-N 2 0 291.439 1.082 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550361 937146495 /nfs/dbraw/zinc/14/64/95/937146495.db2.gz MARIXRHHYGBRLJ-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129340046 928260568 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1.367 20 30 CDEDRP CC(C)[C@@H](O)CCON=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000882981296 930116372 /nfs/dbraw/zinc/11/63/72/930116372.db2.gz HJAZCIQBDBKRAN-HNNXBMFYSA-N 2 0 293.411 1.792 20 30 CDEDRP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135979919 930581478 /nfs/dbraw/zinc/58/14/78/930581478.db2.gz KGSCKSWCUJNAEJ-CABCVRRESA-N 2 0 299.459 1.404 20 30 CDEDRP C[NH+](C)CCN1CC[C@@]2(CC[N@H+](CCCCC#N)C2)C1=O ZINC001274043160 931141370 /nfs/dbraw/zinc/14/13/70/931141370.db2.gz MLVTXAFWKPNNAB-MRXNPFEDSA-N 2 0 292.427 1.166 20 30 CDEDRP COc1cccc(NC(=[NH2+])NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000104192926 931325041 /nfs/dbraw/zinc/32/50/41/931325041.db2.gz NPSMYFSVZSPOCL-LLVKDONJSA-N 2 0 276.384 1.905 20 30 CDEDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cncc(C#N)c1)C2 ZINC001275027103 931635758 /nfs/dbraw/zinc/63/57/58/931635758.db2.gz FPQBGDAFZCKSCG-SJORKVTESA-N 2 0 299.422 1.021 20 30 CDEDRP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001154784195 937585739 /nfs/dbraw/zinc/58/57/39/937585739.db2.gz AGPMBJJBEQCIMG-HZPDHXFCSA-N 2 0 293.455 1.568 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154903981 937601638 /nfs/dbraw/zinc/60/16/38/937601638.db2.gz JTNZHYVQAINLQH-CQSZACIVSA-N 2 0 269.433 1.731 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147976861 932635791 /nfs/dbraw/zinc/63/57/91/932635791.db2.gz CQGZNHVEDQNBHG-UHFFFAOYSA-N 2 0 279.428 1.534 20 30 CDEDRP N#Cc1c(N[C@H]2CCC[C@@H]([NH3+])C2)ncc2c1CCC[NH2+]C2 ZINC001154979221 937615795 /nfs/dbraw/zinc/61/57/95/937615795.db2.gz XKARJQUCEKHYOL-OLZOCXBDSA-N 2 0 285.395 1.671 20 30 CDEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210172 932666785 /nfs/dbraw/zinc/66/67/85/932666785.db2.gz HYUMHEKWTOJVFJ-UHFFFAOYSA-N 2 0 265.401 1.049 20 30 CDEDRP CCNC(NC[C@H]1CCC[N@@H+](C(C)C)C1)=[NH+]CC ZINC000303262696 935023727 /nfs/dbraw/zinc/02/37/27/935023727.db2.gz PZWJEGRVZRUSEP-CYBMUJFWSA-N 2 0 254.422 1.682 20 30 CDEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])N2CCC[C@@H](C)C2)CC1 ZINC000303870924 935046292 /nfs/dbraw/zinc/04/62/92/935046292.db2.gz BLRXTSKLEYGSFK-CABCVRRESA-N 2 0 295.475 1.059 20 30 CDEDRP C=C[C@@H](O)C[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001253597268 935311231 /nfs/dbraw/zinc/31/12/31/935311231.db2.gz CSWDWGRMZKZSIT-OAHLLOKOSA-N 2 0 275.396 1.075 20 30 CDEDRP C=C[C@H](O)C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001253597584 935312890 /nfs/dbraw/zinc/31/28/90/935312890.db2.gz GAMZWRITKRAHRF-CVEARBPZSA-N 2 0 260.381 1.645 20 30 CDEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001096348232 936047866 /nfs/dbraw/zinc/04/78/66/936047866.db2.gz GONYVDVRUYOKGK-FZKCQIBNSA-N 2 0 289.423 1.073 20 30 CDEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001049067310 936107084 /nfs/dbraw/zinc/10/70/84/936107084.db2.gz VKZNAKYFLNHQCV-ZNMIVQPWSA-N 2 0 279.428 1.293 20 30 CDEDRP C=CC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049231803 936126795 /nfs/dbraw/zinc/12/67/95/936126795.db2.gz LVCRWVHTZPRCAZ-GEEKYZPCSA-N 2 0 291.439 1.435 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001122020218 937899797 /nfs/dbraw/zinc/89/97/97/937899797.db2.gz FFZLTSOQQCFISN-HUUCEWRRSA-N 2 0 279.428 1.518 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158413130 938619977 /nfs/dbraw/zinc/61/99/77/938619977.db2.gz WDBBXCORHCBXGF-UONOGXRCSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001158923106 938678474 /nfs/dbraw/zinc/67/84/74/938678474.db2.gz NJXGMFOTPFPVLU-MRXNPFEDSA-N 2 0 293.455 1.663 20 30 CDEDRP N#Cc1ccc(Cl)nc1C(F)(F)N[C@@H]([NH3+])CCC[NH3+] ZINC001159783085 938752542 /nfs/dbraw/zinc/75/25/42/938752542.db2.gz BDAUXYFQLKLYAU-SECBINFHSA-N 2 0 289.717 1.269 20 30 CDEDRP N#Cc1cc(F)cnc1-n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001160944767 938847116 /nfs/dbraw/zinc/84/71/16/938847116.db2.gz XFCPQBAZNLPBOG-UHFFFAOYSA-N 2 0 281.294 1.932 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001161245423 938882007 /nfs/dbraw/zinc/88/20/07/938882007.db2.gz NHVYKUBPMZQXRF-UHFFFAOYSA-N 2 0 275.824 1.565 20 30 CDEDRP C[Si](C)(C)C#C[NH2+]CC[C@H]1CCOC12C[NH2+]C2 ZINC001163088775 939196456 /nfs/dbraw/zinc/19/64/56/939196456.db2.gz GYYPGKIRWNBMLY-LBPRGKRZSA-N 2 0 252.434 1.183 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001164449549 939473794 /nfs/dbraw/zinc/47/37/94/939473794.db2.gz LKCKBOAEYXBUNA-OAHLLOKOSA-N 2 0 279.428 1.228 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001165314676 939544531 /nfs/dbraw/zinc/54/45/31/939544531.db2.gz JXJPLOZDAKQONC-AWEZNQCLSA-N 2 0 299.434 1.728 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001166627067 939620740 /nfs/dbraw/zinc/62/07/40/939620740.db2.gz PAPZTTMCEBMSKJ-ZDUSSCGKSA-N 2 0 253.390 1.143 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001166870018 939645952 /nfs/dbraw/zinc/64/59/52/939645952.db2.gz QEORRCJFQYRWQY-UHFFFAOYSA-N 2 0 291.439 1.228 20 30 CDEDRP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203519998 939690944 /nfs/dbraw/zinc/69/09/44/939690944.db2.gz CJEUBHFYADEVNX-CABCVRRESA-N 2 0 291.439 1.369 20 30 CDEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576977 939694147 /nfs/dbraw/zinc/69/41/47/939694147.db2.gz MBSJSZJFSGTQMC-GJZGRUSLSA-N 2 0 291.439 1.369 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccccc1C#N ZINC001204370355 939761036 /nfs/dbraw/zinc/76/10/36/939761036.db2.gz YVUSZXVLQDAVOP-UHFFFAOYSA-N 2 0 274.412 1.483 20 30 CDEDRP CC[N@H+]1C[C@H]2CN(Cc3cc(C#N)n(C)c3)C[C@H]2C1 ZINC001207107829 940151023 /nfs/dbraw/zinc/15/10/23/940151023.db2.gz CHTZUCCAEZMAAA-OKILXGFUSA-N 2 0 258.369 1.280 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211233978 940740370 /nfs/dbraw/zinc/74/03/70/940740370.db2.gz SEMCHVUFEGVKHO-INIZCTEOSA-N 2 0 291.439 1.466 20 30 CDEDRP C[C@@]1(C[NH3+])CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000402166891 940889664 /nfs/dbraw/zinc/88/96/64/940889664.db2.gz RYKJIEUNPJRSBW-GJZGRUSLSA-N 2 0 259.353 1.262 20 30 CDEDRP N#Cc1ccc(NC(=O)NCCC[NH2+]CCC[NH3+])cc1 ZINC001239253169 945365508 /nfs/dbraw/zinc/36/55/08/945365508.db2.gz QHAWDLWDMSDFNQ-UHFFFAOYSA-N 2 0 275.356 1.008 20 30 CDEDRP C[C@@H](C#N)c1ccc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cc1 ZINC001218871714 941281952 /nfs/dbraw/zinc/28/19/52/941281952.db2.gz QHVHJWUECLMGJY-NHYWBVRUSA-N 2 0 286.379 1.579 20 30 CDEDRP C[C@H](C#N)c1ccc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cc1 ZINC001218871169 941282451 /nfs/dbraw/zinc/28/24/51/941282451.db2.gz HYZVSXWHIIBYLW-RISCZKNCSA-N 2 0 284.363 1.061 20 30 CDEDRP C#C[C@](C)([NH3+])C(=O)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001220538541 941452684 /nfs/dbraw/zinc/45/26/84/941452684.db2.gz SNLPCDYJRMRFSU-AIWVUANBSA-N 2 0 289.423 1.093 20 30 CDEDRP N#Cc1ccc(CC[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001222085651 941561718 /nfs/dbraw/zinc/56/17/18/941561718.db2.gz GTAFDGUROWVZAZ-UHFFFAOYSA-N 2 0 284.407 1.128 20 30 CDEDRP C#CCOc1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001222091631 941563057 /nfs/dbraw/zinc/56/30/57/941563057.db2.gz YPRXMIDXZZTIJJ-UHFFFAOYSA-N 2 0 299.418 1.226 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)c(F)c1 ZINC001222538059 941609563 /nfs/dbraw/zinc/60/95/63/941609563.db2.gz KXCVGXULBLQBQH-UHFFFAOYSA-N 2 0 265.307 1.960 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228255185 942284923 /nfs/dbraw/zinc/28/49/23/942284923.db2.gz SSFKANZCEDCFJU-ZIAGYGMSSA-N 2 0 267.417 1.531 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1[nH]ccc1C#N ZINC001233046588 943474426 /nfs/dbraw/zinc/47/44/26/943474426.db2.gz CVPPRKYBFZMVQD-UHFFFAOYSA-N 2 0 291.443 1.592 20 30 CDEDRP C#Cc1ccc(CN(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236932478 944617992 /nfs/dbraw/zinc/61/79/92/944617992.db2.gz NHTKHPBSTGDXBP-GOSISDBHSA-N 2 0 285.435 1.784 20 30 CDEDRP C[N@@H+]1CCC[C@@H](NC(=[NH2+])c2ccc(Cl)cn2)CC1 ZINC001254502841 947461995 /nfs/dbraw/zinc/46/19/95/947461995.db2.gz IGQJWJRDZYCLQA-LLVKDONJSA-N 2 0 266.776 1.925 20 30 CDEDRP CC(C)(C)OC(=O)N[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001254646627 947567767 /nfs/dbraw/zinc/56/77/67/947567767.db2.gz NQFTUOHPZIAONO-YNEHKIRRSA-N 2 0 296.415 1.858 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]CC1CC[NH+](CC2CCC2)CC1 ZINC001252495726 951368376 /nfs/dbraw/zinc/36/83/76/951368376.db2.gz QNQBGRLGAPRQCK-QGZVFWFLSA-N 2 0 296.455 1.652 20 30 CDEDRP C=C[C@@](C)(O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001252555061 951447553 /nfs/dbraw/zinc/44/75/53/951447553.db2.gz OLDOJRMTUTZCBM-FGTMMUONSA-N 2 0 286.419 1.987 20 30 CDEDRP C[C@H](CCNC(=O)NCC#CC[NH+](C)C)[NH+]1CCCCC1 ZINC001312483012 956801735 /nfs/dbraw/zinc/80/17/35/956801735.db2.gz FHJVKPTURVGDHF-OAHLLOKOSA-N 2 0 294.443 1.115 20 30 CDEDRP C=C(Cl)CN1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001418661309 960865629 /nfs/dbraw/zinc/86/56/29/960865629.db2.gz SPUHQOOSCBMAKB-CYBMUJFWSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001340669842 963063326 /nfs/dbraw/zinc/06/33/26/963063326.db2.gz AOUGHCPQHXCZPJ-HOTGVXAUSA-N 2 0 293.455 1.908 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001340937513 963201118 /nfs/dbraw/zinc/20/11/18/963201118.db2.gz ZHALGRUZITWRHU-ZDUSSCGKSA-N 2 0 265.401 1.272 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC001341632496 963490886 /nfs/dbraw/zinc/49/08/86/963490886.db2.gz VWMYFQQZZFXYTQ-STQMWFEESA-N 2 0 253.390 1.271 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1C ZINC001343303362 963947273 /nfs/dbraw/zinc/94/72/73/963947273.db2.gz WGMIQNKOLOQZOD-OLZOCXBDSA-N 2 0 253.390 1.271 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC001343505672 964012683 /nfs/dbraw/zinc/01/26/83/964012683.db2.gz AWWLJHHQZMYTGX-MGPQQGTHSA-N 2 0 267.417 1.551 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC001343879649 964167194 /nfs/dbraw/zinc/16/71/94/964167194.db2.gz DTRXGOYMKPOYGK-AWEZNQCLSA-N 2 0 267.417 1.470 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC001357661274 969638312 /nfs/dbraw/zinc/63/83/12/969638312.db2.gz VQIWTASNWYTOIP-UONOGXRCSA-N 2 0 279.428 1.661 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001569662095 1169958740 /nfs/dbraw/zinc/95/87/40/1169958740.db2.gz OISNMXPLTYBABP-NVXWUHKLSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001374233564 973847320 /nfs/dbraw/zinc/84/73/20/973847320.db2.gz NIMQBYJVERRJFM-GFCCVEGCSA-N 2 0 287.835 1.660 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001399246223 976396035 /nfs/dbraw/zinc/39/60/35/976396035.db2.gz INECLZLWAIILMJ-CHWSQXEVSA-N 2 0 285.819 1.271 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132268671 1163221039 /nfs/dbraw/zinc/22/10/39/1163221039.db2.gz AJUQLFSILNKZOH-GJZGRUSLSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001133261451 1163617206 /nfs/dbraw/zinc/61/72/06/1163617206.db2.gz APCBBHMBDYEYRC-HOTGVXAUSA-N 2 0 295.471 1.979 20 30 CDEDRP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000442774973 362089555 /nfs/dbraw/zinc/08/95/55/362089555.db2.gz FQBYOFUJBDXUQD-GOEBONIOSA-N 2 0 290.455 1.827 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)o1 ZINC000600769885 349878597 /nfs/dbraw/zinc/87/85/97/349878597.db2.gz UIEPMJQQOXAAPF-XJKSGUPXSA-N 2 0 289.379 1.870 20 30 CDEDRP COCC[N@H+](C)CCC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602511766 344458916 /nfs/dbraw/zinc/45/89/16/344458916.db2.gz RJBYFWMNWAKQDM-OAHLLOKOSA-N 2 0 297.443 1.643 20 30 CDEDRP C=CCC[C@@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353158741 346062129 /nfs/dbraw/zinc/06/21/29/346062129.db2.gz ZTZBMGXLVQYKHM-IZGVIRRGSA-N 2 0 252.402 1.871 20 30 CDEDRP COCC[C@@H]([NH3+])C[NH2+]C(C)(C)Cc1ccc(C#N)cc1 ZINC001579003187 1172075018 /nfs/dbraw/zinc/07/50/18/1172075018.db2.gz ZLPOJUVEBJIBPG-OAHLLOKOSA-N 2 0 275.396 1.833 20 30 CDEDRP CC#CC[C@H](CO)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000641769001 365835354 /nfs/dbraw/zinc/83/53/54/365835354.db2.gz NQYLSXZTTGULCW-MRXNPFEDSA-N 2 0 290.407 1.491 20 30 CDEDRP CCC#C[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000611266435 346728713 /nfs/dbraw/zinc/72/87/13/346728713.db2.gz HAROVBQVQKYGFB-JKSUJKDBSA-N 2 0 263.429 1.500 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccccc1C ZINC000264079229 362959985 /nfs/dbraw/zinc/95/99/85/362959985.db2.gz ICJPJLLTRBQPQP-MRXNPFEDSA-N 2 0 288.439 1.926 20 30 CDEDRP Cn1cc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1C#N ZINC000191323400 358126378 /nfs/dbraw/zinc/12/63/78/358126378.db2.gz WRDKIANBNSWRIF-UHFFFAOYSA-N 2 0 260.385 1.670 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000165196027 363625649 /nfs/dbraw/zinc/62/56/49/363625649.db2.gz XIFYKZXVABRZTG-CVEARBPZSA-N 2 0 293.455 1.801 20 30 CDEDRP C=CCN1CC[C@H](N2CC[C@H](C[N@@H+](C)CC)C2)C1=O ZINC000337187052 360030308 /nfs/dbraw/zinc/03/03/08/360030308.db2.gz PHRLECFPXUCGNB-KGLIPLIRSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000063166030 360072237 /nfs/dbraw/zinc/07/22/37/360072237.db2.gz UVYUIIUEQQOIGD-UHFFFAOYSA-N 2 0 265.401 1.118 20 30 CDEDRP N#CCSCCC[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000080632037 361360119 /nfs/dbraw/zinc/36/01/19/361360119.db2.gz YNKPDKFEUPGCCX-AWEZNQCLSA-N 2 0 283.441 1.287 20 30 CDEDRP N#Cc1cccc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000112839501 374231399 /nfs/dbraw/zinc/23/13/99/374231399.db2.gz HZUARUQTQKSRHF-CVEARBPZSA-N 2 0 271.364 1.511 20 30 CDEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366865441 379658750 /nfs/dbraw/zinc/65/87/50/379658750.db2.gz OFEAYGPXRJVXKE-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCCC[N@H+](C)Cc1ccccc1 ZINC000104157425 390486249 /nfs/dbraw/zinc/48/62/49/390486249.db2.gz XWIIDXUIMASEHC-AWEZNQCLSA-N 2 0 292.427 1.448 20 30 CDEDRP CN(CC[N@H+](C)CCC(C)(C)C#N)C1CC[NH+](C)CC1 ZINC000119723100 390641029 /nfs/dbraw/zinc/64/10/29/390641029.db2.gz XWDCPESWYHGNGR-UHFFFAOYSA-N 2 0 280.460 1.884 20 30 CDEDRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCC[C@@H](C#N)C3)C2)CC1 ZINC000373171769 391108544 /nfs/dbraw/zinc/10/85/44/391108544.db2.gz BVQPVNJLQKFMSK-PMPSAXMXSA-N 2 0 290.455 1.827 20 30 CDEDRP C[C@@H](CCC#N)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000351598148 391083253 /nfs/dbraw/zinc/08/32/53/391083253.db2.gz SLCUHIWNEMPVHE-AWEZNQCLSA-N 2 0 265.401 1.723 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000345286050 391116681 /nfs/dbraw/zinc/11/66/81/391116681.db2.gz VEFBJGVGGJELCD-UHFFFAOYSA-N 2 0 265.401 1.095 20 30 CDEDRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000359695000 158339345 /nfs/dbraw/zinc/33/93/45/158339345.db2.gz KRODUVSRIBFLGL-CYBMUJFWSA-N 2 0 260.385 1.718 20 30 CDEDRP C[NH+]=C(NCC[N@@H+]1CCCC[C@@H]1C)NCc1ccco1 ZINC000171409845 261464056 /nfs/dbraw/zinc/46/40/56/261464056.db2.gz FEZWIOIQXUANDD-ZDUSSCGKSA-N 2 0 278.400 1.819 20 30 CDEDRP COc1ccc(NC(=[NH2+])NCCC[NH+](C)C)cc1OC ZINC000264088790 262867955 /nfs/dbraw/zinc/86/79/55/262867955.db2.gz KLJIORLDOZNKGZ-UHFFFAOYSA-N 2 0 280.372 1.382 20 30 CDEDRP C=CCc1cc(C[NH2+]C[C@H](C)C[NH3+])cc(OC)c1O ZINC000414885745 263099386 /nfs/dbraw/zinc/09/93/86/263099386.db2.gz XJKGYEAJEVYKHV-LLVKDONJSA-N 2 0 264.369 1.814 20 30 CDEDRP C#CCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368826648 267207363 /nfs/dbraw/zinc/20/73/63/267207363.db2.gz WRCWPUYUIIZMQC-UHFFFAOYSA-N 2 0 263.429 1.359 20 30 CDEDRP C[NH+](C)C1CCC([NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000578359121 323911265 /nfs/dbraw/zinc/91/12/65/323911265.db2.gz REIUDYIIDMWJRH-UHFFFAOYSA-N 2 0 298.394 1.563 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000377898025 329034042 /nfs/dbraw/zinc/03/40/42/329034042.db2.gz DOXAWEMNGVAIRL-UHFFFAOYSA-N 2 0 291.439 1.772 20 30 CDEDRP CNC(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000172838244 329139168 /nfs/dbraw/zinc/13/91/68/329139168.db2.gz MRZKVRAHCQLEDS-PWSUYJOCSA-N 2 0 266.414 1.665 20 30 CDEDRP CC(C)[NH+]1CCC(C(=O)NC2(C#N)CC[NH+](C)CC2)CC1 ZINC000572064144 329940362 /nfs/dbraw/zinc/94/03/62/329940362.db2.gz RKFOEIJZCOXZOU-UHFFFAOYSA-N 2 0 292.427 1.211 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CCCS1)NCC(C)(C)[NH+](C)C ZINC000261944878 329990178 /nfs/dbraw/zinc/99/01/78/329990178.db2.gz FMVSHXPQQQUKBQ-NSHDSACASA-N 2 0 272.462 1.387 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCCS1 ZINC000262163658 330001092 /nfs/dbraw/zinc/00/10/92/330001092.db2.gz BLMLVDMINVTLIV-OLZOCXBDSA-N 2 0 284.473 1.661 20 30 CDEDRP CC(C)(CNC(=[NH2+])N1CCSCC1)C[NH+]1CCCC1 ZINC000262326591 330006053 /nfs/dbraw/zinc/00/60/53/330006053.db2.gz DKJUKXVTTZBKOU-UHFFFAOYSA-N 2 0 284.473 1.472 20 30 CDEDRP CSC1(CNC(=[NH2+])N2CCC[C@H](C)C2)CC[NH+](C)CC1 ZINC000262356042 330007802 /nfs/dbraw/zinc/00/78/02/330007802.db2.gz HMXAIPPBFHGHQI-ZDUSSCGKSA-N 2 0 298.500 1.860 20 30 CDEDRP C[C@H]1CCC[N@@H+](C(C)(C)CNC2=[NH+]CCN2C)C1 ZINC000262642007 330024087 /nfs/dbraw/zinc/02/40/87/330024087.db2.gz HZUMTZGPILDBKU-LBPRGKRZSA-N 2 0 252.406 1.388 20 30 CDEDRP C=CCN1CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422863542 330158072 /nfs/dbraw/zinc/15/80/72/330158072.db2.gz RXPMSRJOATXXIL-DZGCQCFKSA-N 2 0 251.418 1.744 20 30 CDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423152208 330173241 /nfs/dbraw/zinc/17/32/41/330173241.db2.gz LFFDSWONRSCOAC-MCIONIFRSA-N 2 0 296.411 1.241 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423372451 330195401 /nfs/dbraw/zinc/19/54/01/330195401.db2.gz GJMDIMSWAIVEOB-AWEZNQCLSA-N 2 0 279.428 1.531 20 30 CDEDRP CC(C)C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+](C)C ZINC000424137061 330273410 /nfs/dbraw/zinc/27/34/10/330273410.db2.gz RNVVZXICGGDLPD-STQMWFEESA-N 2 0 268.405 1.100 20 30 CDEDRP C[NH+](C)CCN(C(=O)[C@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424142172 330284218 /nfs/dbraw/zinc/28/42/18/330284218.db2.gz DJFINRIIRSOYND-OAHLLOKOSA-N 2 0 288.395 1.602 20 30 CDEDRP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220901567 333170246 /nfs/dbraw/zinc/17/02/46/333170246.db2.gz NYVJDKSLRNHIJQ-LSDHHAIUSA-N 2 0 292.427 1.165 20 30 CDEDRP C=CCCCCCN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000193402704 333249318 /nfs/dbraw/zinc/24/93/18/333249318.db2.gz HITXBSMQJODROK-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP C[C@@H](C#N)CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000541946988 333802859 /nfs/dbraw/zinc/80/28/59/333802859.db2.gz QLALNDJCYHQIFM-AWEZNQCLSA-N 2 0 297.447 1.061 20 30 CDEDRP C[NH+](C)[C@@]1(CNC[C@@H](C#N)CCC#N)CCSC1 ZINC000581603038 336110198 /nfs/dbraw/zinc/11/01/98/336110198.db2.gz HOTSWWQVYFRBDR-CHWSQXEVSA-N 2 0 266.414 1.457 20 30 CDEDRP C=CC[NH2+]CCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000092476466 1159674518 /nfs/dbraw/zinc/67/45/18/1159674518.db2.gz GAVPBEJXCLSYBI-INIZCTEOSA-N 2 0 259.397 1.751 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482357267 1160175054 /nfs/dbraw/zinc/17/50/54/1160175054.db2.gz YIJQWRGKQDIJEN-QWHCGFSZSA-N 2 0 289.851 1.762 20 30 CDEDRP C=CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001752836039 1160626814 /nfs/dbraw/zinc/62/68/14/1160626814.db2.gz KCUAWLSSIJASCB-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001753138976 1185081886 /nfs/dbraw/zinc/08/18/86/1185081886.db2.gz QPSINBZQQFZGFO-HNNXBMFYSA-N 2 0 281.444 1.733 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001113499274 1162196549 /nfs/dbraw/zinc/19/65/49/1162196549.db2.gz QXGWJIOLHLHRDW-HNNXBMFYSA-N 2 0 281.444 1.827 20 30 CDEDRP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350918582 528618343 /nfs/dbraw/zinc/61/83/43/528618343.db2.gz MBVOGHUROJNBNM-AWEZNQCLSA-N 2 0 294.443 1.268 20 30 CDEDRP C#CCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000764230522 575893857 /nfs/dbraw/zinc/89/38/57/575893857.db2.gz BSZRYDDMTHEWGK-HOTGVXAUSA-N 2 0 263.429 1.500 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000747404411 576868756 /nfs/dbraw/zinc/86/87/56/576868756.db2.gz JTDQVNATWDFWAU-MRXNPFEDSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968192795 613022475 /nfs/dbraw/zinc/02/24/75/613022475.db2.gz SOKHUOPIQHIFDV-HOCLYGCPSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC)CC2(C)C)CC1 ZINC000977660329 613130847 /nfs/dbraw/zinc/13/08/47/613130847.db2.gz YSZPPQBTDITYAP-OAHLLOKOSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000950510754 613260153 /nfs/dbraw/zinc/26/01/53/613260153.db2.gz XPODHDSQDRDDJT-GJZGRUSLSA-N 2 0 279.428 1.295 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000972483432 613283131 /nfs/dbraw/zinc/28/31/31/613283131.db2.gz UBSOBMYEHQLVHK-MRXNPFEDSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000972258622 613289296 /nfs/dbraw/zinc/28/92/96/613289296.db2.gz QQQPFXAAXDHWOF-LSDHHAIUSA-N 2 0 281.444 1.681 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000971679780 613289332 /nfs/dbraw/zinc/28/93/32/613289332.db2.gz UYZFVHBTVXLCTN-LSDHHAIUSA-N 2 0 279.428 1.435 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000981283613 613309676 /nfs/dbraw/zinc/30/96/76/613309676.db2.gz ZAQOMXLKQZYDHI-INIZCTEOSA-N 2 0 293.455 1.971 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978156219 613343653 /nfs/dbraw/zinc/34/36/53/613343653.db2.gz OIVHSKCQNXDLHY-QCODTGAPSA-N 2 0 291.439 1.197 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000969990445 613385193 /nfs/dbraw/zinc/38/51/93/613385193.db2.gz VLFLHFNRLKIQKA-NEPJUHHUSA-N 2 0 273.808 1.270 20 30 CDEDRP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000982019149 613542882 /nfs/dbraw/zinc/54/28/82/613542882.db2.gz RRPCYHYKPOQYHA-HNNXBMFYSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000972610885 613627666 /nfs/dbraw/zinc/62/76/66/613627666.db2.gz WALCGHBJIWTHMZ-HNNXBMFYSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000970019980 613669445 /nfs/dbraw/zinc/66/94/45/613669445.db2.gz JKUIGSIHWXNLGT-GOEBONIOSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000948553190 613701432 /nfs/dbraw/zinc/70/14/32/613701432.db2.gz FMOBUQLRRQRMRU-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942556369 613740237 /nfs/dbraw/zinc/74/02/37/613740237.db2.gz ZWOQBOKVSYTZJX-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942556370 613740286 /nfs/dbraw/zinc/74/02/86/613740286.db2.gz ZWOQBOKVSYTZJX-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000961465044 613837187 /nfs/dbraw/zinc/83/71/87/613837187.db2.gz PEWOGJUMJGWHMW-WDNDVIMCSA-N 2 0 277.412 1.093 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCC[NH2+]C(CC)CC)CC1 ZINC000892858775 617839208 /nfs/dbraw/zinc/83/92/08/617839208.db2.gz XVLVHRQMZAGDSW-UHFFFAOYSA-N 2 0 296.459 1.714 20 30 CDEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000924967044 618483330 /nfs/dbraw/zinc/48/33/30/618483330.db2.gz WAJITRRFYWPBDK-KBPBESRZSA-N 2 0 294.443 1.492 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000905152023 626662414 /nfs/dbraw/zinc/66/24/14/626662414.db2.gz SIAULCXWEPZYSW-UHFFFAOYSA-N 2 0 288.395 1.435 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]CC1 ZINC000911646904 629391820 /nfs/dbraw/zinc/39/18/20/629391820.db2.gz GLYQCUGXELVXHL-CYBMUJFWSA-N 2 0 255.406 1.496 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000911769820 629486082 /nfs/dbraw/zinc/48/60/82/629486082.db2.gz YDSVNODWJSKWRF-UONOGXRCSA-N 2 0 261.369 1.486 20 30 CDEDRP C=CCNC(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)=[NH+]C(C)(C)C ZINC000912496758 630030380 /nfs/dbraw/zinc/03/03/80/630030380.db2.gz FKHHKGCKUPAKBK-ZIAGYGMSSA-N 2 0 294.443 1.369 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001020239130 696014832 /nfs/dbraw/zinc/01/48/32/696014832.db2.gz PHXVPTOCWCCMSI-RBSFLKMASA-N 2 0 277.412 1.119 20 30 CDEDRP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025525592 695193109 /nfs/dbraw/zinc/19/31/09/695193109.db2.gz QBWFNHQMGSFPNY-ZBFHGGJFSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[N@@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034290870 695293970 /nfs/dbraw/zinc/29/39/70/695293970.db2.gz NBABCSSECPTFQZ-OAHLLOKOSA-N 2 0 291.439 1.772 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC12CCC(CC1)C2 ZINC000261854794 695311775 /nfs/dbraw/zinc/31/17/75/695311775.db2.gz YLYMMGYXFVGGAY-NPCAHTBFSA-N 2 0 278.444 1.955 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001050668087 695326802 /nfs/dbraw/zinc/32/68/02/695326802.db2.gz IXAQLKGIMCFVEL-AWEZNQCLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCC[N@@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001073129227 695333138 /nfs/dbraw/zinc/33/31/38/695333138.db2.gz MTVAXWDPNJYYNM-UHFFFAOYSA-N 2 0 289.423 1.193 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000999348388 695371303 /nfs/dbraw/zinc/37/13/03/695371303.db2.gz OCSSQMSBRGSXCF-HOTGVXAUSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001020144151 695382592 /nfs/dbraw/zinc/38/25/92/695382592.db2.gz RVVMGJOXKIUTGG-KKUMJFAQSA-N 2 0 279.428 1.672 20 30 CDEDRP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049699332 695387968 /nfs/dbraw/zinc/38/79/68/695387968.db2.gz YUZPDVZHEUYCNI-OWCLPIDISA-N 2 0 291.439 1.271 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847342 695392397 /nfs/dbraw/zinc/39/23/97/695392397.db2.gz VNYOTCRQAKWZOQ-GJZGRUSLSA-N 2 0 289.423 1.334 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071795805 695431592 /nfs/dbraw/zinc/43/15/92/695431592.db2.gz NPQBMYOHOLVGCC-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001015704792 695464621 /nfs/dbraw/zinc/46/46/21/695464621.db2.gz FPKYWRSONAAMFW-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001028636342 695586040 /nfs/dbraw/zinc/58/60/40/695586040.db2.gz OXWAQMBWHDMEOK-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP CC[NH+]=C(NCC1CCC1)N[C@H]1CCN(C2CC2)C1 ZINC000083094640 695587691 /nfs/dbraw/zinc/58/76/91/695587691.db2.gz KEZRWJXCRJELRD-ZDUSSCGKSA-N 2 0 264.417 1.578 20 30 CDEDRP C#CC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992422149 695639847 /nfs/dbraw/zinc/63/98/47/695639847.db2.gz ZODBHHJLTBHXPP-BFYDXBDKSA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000846615183 695664305 /nfs/dbraw/zinc/66/43/05/695664305.db2.gz XYHDCEHBBKBBAM-UHFFFAOYSA-N 2 0 253.390 1.049 20 30 CDEDRP C=CCC[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001038872010 695691821 /nfs/dbraw/zinc/69/18/21/695691821.db2.gz KJEPIVVWUGUUKM-INIZCTEOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001027794981 695810557 /nfs/dbraw/zinc/81/05/57/695810557.db2.gz MCVYJXNFQRKHBR-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP CCN(CC)C(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000303770158 695883046 /nfs/dbraw/zinc/88/30/46/695883046.db2.gz BQOXVPSNBHLPNH-CYBMUJFWSA-N 2 0 254.422 1.763 20 30 CDEDRP CC1CC[NH+](CCCNC(=[NH2+])N(C)C2CC2)CC1 ZINC000305828190 695887736 /nfs/dbraw/zinc/88/77/36/695887736.db2.gz RYCILOYWTYXGSI-UHFFFAOYSA-N 2 0 252.406 1.517 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000996678975 695893141 /nfs/dbraw/zinc/89/31/41/695893141.db2.gz PGUOGFAMGDKHIB-AWEZNQCLSA-N 2 0 265.401 1.093 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cc2cncn2C)[C@H]1C ZINC000987341082 695929895 /nfs/dbraw/zinc/92/98/95/695929895.db2.gz IBYNGZVSXDLEMZ-WCQYABFASA-N 2 0 296.802 1.294 20 30 CDEDRP C=C(Cl)CN1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001009200952 695961781 /nfs/dbraw/zinc/96/17/81/695961781.db2.gz IVRYIVJUPWYCDS-ZIAGYGMSSA-N 2 0 299.846 1.661 20 30 CDEDRP C=C(C)CC[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130540 695983986 /nfs/dbraw/zinc/98/39/86/695983986.db2.gz UNULQLWIVGIFHP-UHFFFAOYSA-N 2 0 277.412 1.096 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046328430 695985094 /nfs/dbraw/zinc/98/50/94/695985094.db2.gz DSTYBCLJNBZGLO-IIAWOOMASA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000999512836 695999164 /nfs/dbraw/zinc/99/91/64/695999164.db2.gz RHNXMJCOEZJYHY-UONOGXRCSA-N 2 0 299.846 1.804 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049896655 696002322 /nfs/dbraw/zinc/00/23/22/696002322.db2.gz NTXVKCGISVNAFR-HOTGVXAUSA-N 2 0 291.439 1.724 20 30 CDEDRP CCCCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000303874341 696004432 /nfs/dbraw/zinc/00/44/32/696004432.db2.gz DAGIYPVISJDUQU-QWHCGFSZSA-N 2 0 254.422 1.811 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015796373 696093568 /nfs/dbraw/zinc/09/35/68/696093568.db2.gz LOMCELDZGGBNQI-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001028693243 696097428 /nfs/dbraw/zinc/09/74/28/696097428.db2.gz LDZXTHRJMARYCN-CQSZACIVSA-N 2 0 298.390 1.962 20 30 CDEDRP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001026548051 696157888 /nfs/dbraw/zinc/15/78/88/696157888.db2.gz NAJIISMQTVISDV-FXQLRMTLSA-N 2 0 291.439 1.367 20 30 CDEDRP C[C@@H](CNC(=[NH2+])NC(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC000262018646 696163860 /nfs/dbraw/zinc/16/38/60/696163860.db2.gz XATLOTFZANIRDO-NEPJUHHUSA-N 2 0 254.422 1.952 20 30 CDEDRP C#CCNC(=O)CC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC001574707251 1170998787 /nfs/dbraw/zinc/99/87/87/1170998787.db2.gz PPBJDBQIIHICPD-HNNXBMFYSA-N 2 0 273.380 1.196 20 30 CDEDRP C=CC1(CC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)C[NH2+]C1 ZINC001574879451 1171035031 /nfs/dbraw/zinc/03/50/31/1171035031.db2.gz DLIYQQYEXSGIKH-AWEZNQCLSA-N 2 0 277.412 1.285 20 30 CDEDRP C[NH2+]C[C@@H](O)C[N@H+](C)CCCCC1(C#N)CCC1 ZINC001578653405 1171971465 /nfs/dbraw/zinc/97/14/65/1171971465.db2.gz XIPBOLBRAHRJRG-CYBMUJFWSA-N 2 0 253.390 1.363 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001713730179 1178727355 /nfs/dbraw/zinc/72/73/55/1178727355.db2.gz KTIBETGVVCBCEG-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001752155593 1184826074 /nfs/dbraw/zinc/82/60/74/1184826074.db2.gz FQRDKRGWGNTXAX-HUUCEWRRSA-N 2 0 279.428 1.321 20 30 CDEDRP CC#CC[NH2+][C@@H](CNC(=O)CCC[NH+]1CCCC1)C1CC1 ZINC001752499800 1184873689 /nfs/dbraw/zinc/87/36/89/1184873689.db2.gz QAVWEIVPPHACJA-INIZCTEOSA-N 2 0 291.439 1.370 20 30 CDEDRP C=CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001752840136 1184929293 /nfs/dbraw/zinc/92/92/93/1184929293.db2.gz HACKNYLGOOMDQI-LSDHHAIUSA-N 2 0 281.444 1.731 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001752880537 1184947647 /nfs/dbraw/zinc/94/76/47/1184947647.db2.gz UZVBJFBMGQJCDM-LBPRGKRZSA-N 2 0 253.390 1.141 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001752997329 1184988155 /nfs/dbraw/zinc/98/81/55/1184988155.db2.gz UEUPQSBMGSUKAH-AWEZNQCLSA-N 2 0 267.417 1.437 20 30 CDEDRP C=CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001753503707 1185239389 /nfs/dbraw/zinc/23/93/89/1185239389.db2.gz PVOZLQMCOJSZMP-ZIAGYGMSSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCCC1 ZINC001753671254 1185295061 /nfs/dbraw/zinc/29/50/61/1185295061.db2.gz SVJFFPZZFZPQII-OAHLLOKOSA-N 2 0 291.439 1.513 20 30 CDEDRP C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CCC ZINC001753811778 1185342994 /nfs/dbraw/zinc/34/29/94/1185342994.db2.gz AOTJNPSBKWZUPY-CVEARBPZSA-N 2 0 293.455 1.568 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001754232065 1185521143 /nfs/dbraw/zinc/52/11/43/1185521143.db2.gz JOIBESNKYQXPDS-GFCCVEGCSA-N 2 0 286.379 1.927 20 30 CDEDRP C=CCC[NH2+]CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001754371241 1185600647 /nfs/dbraw/zinc/60/06/47/1185600647.db2.gz CVZOAYNTYYRHNR-HNNXBMFYSA-N 2 0 279.428 1.342 20 30 CDEDRP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001754662095 1185693998 /nfs/dbraw/zinc/69/39/98/1185693998.db2.gz QUVZINDMJJXJKU-KRWDZBQOSA-N 2 0 291.439 1.276 20 30 CDEDRP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001754794616 1185733769 /nfs/dbraw/zinc/73/37/69/1185733769.db2.gz DWPJVKBMMBOIJM-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](CC)[NH+](C)C ZINC001755567589 1185993260 /nfs/dbraw/zinc/99/32/60/1185993260.db2.gz RNSAAEFRBMSCOU-LSDHHAIUSA-N 2 0 279.428 1.177 20 30 CDEDRP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001755589849 1186003902 /nfs/dbraw/zinc/00/39/02/1186003902.db2.gz BYKKHTNYQWPZTR-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC001755758421 1186059871 /nfs/dbraw/zinc/05/98/71/1186059871.db2.gz ZCFYMIJVIAZYBQ-CQSZACIVSA-N 2 0 291.439 1.321 20 30 CDEDRP C[C@@H](CNC(=[NH2+])NCC1CCC1)C[NH+]1CCCC1 ZINC000303886893 724423679 /nfs/dbraw/zinc/42/36/79/724423679.db2.gz OCUPVJRLLYAGND-LBPRGKRZSA-N 2 0 252.406 1.423 20 30 CDEDRP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001023446095 724444191 /nfs/dbraw/zinc/44/41/91/724444191.db2.gz JYLGPOPWEJNOKB-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016249133 723706694 /nfs/dbraw/zinc/70/66/94/723706694.db2.gz FOSYJZJJAVULIE-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001027928332 723731936 /nfs/dbraw/zinc/73/19/36/723731936.db2.gz MUTALMDFSMTHOB-HOTGVXAUSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001028636345 723746956 /nfs/dbraw/zinc/74/69/56/723746956.db2.gz OXWAQMBWHDMEOK-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001015614500 723763500 /nfs/dbraw/zinc/76/35/00/723763500.db2.gz BJAQQOSSOOPSCA-SOUVJXGZSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049895153 723763509 /nfs/dbraw/zinc/76/35/09/723763509.db2.gz ICNDMBRPAYWLFE-HZPDHXFCSA-N 2 0 291.439 1.724 20 30 CDEDRP C[NH+]=C(NCCCC[NH+]1CCC(C)CC1)NC1CC1 ZINC000848989514 723794372 /nfs/dbraw/zinc/79/43/72/723794372.db2.gz WFEVJAVHQIEAOT-UHFFFAOYSA-N 2 0 266.433 1.826 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001014722303 723809594 /nfs/dbraw/zinc/80/95/94/723809594.db2.gz LYZKLDMMFIVFKM-HOTGVXAUSA-N 2 0 291.439 1.463 20 30 CDEDRP CC(C)CCNC(=[NH2+])NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000303791889 723812045 /nfs/dbraw/zinc/81/20/45/723812045.db2.gz XYAOENPOAATBBD-HNNXBMFYSA-N 2 0 297.491 1.209 20 30 CDEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001034642221 723844284 /nfs/dbraw/zinc/84/42/84/723844284.db2.gz CHBMTEMIRHFZEU-JYJNAYRXSA-N 2 0 291.439 1.509 20 30 CDEDRP C[C@H](C#N)OCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394477867 724011799 /nfs/dbraw/zinc/01/17/99/724011799.db2.gz JAAROTNZJNSHHU-HABKJSAYSA-N 2 0 251.374 1.472 20 30 CDEDRP CC[NH+]1CCC(CCNC(=[NH2+])N[C@@H](C)COC)CC1 ZINC000304739517 724304406 /nfs/dbraw/zinc/30/44/06/724304406.db2.gz BGTSAKUDRPINEM-LBPRGKRZSA-N 2 0 270.421 1.048 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001032206565 724292582 /nfs/dbraw/zinc/29/25/82/724292582.db2.gz DKWRYUZYPSCYQU-UHFFFAOYSA-N 2 0 299.418 1.433 20 30 CDEDRP C#CCN1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033317886 724328572 /nfs/dbraw/zinc/32/85/72/724328572.db2.gz DPFALEVJTMRTLO-AWEZNQCLSA-N 2 0 277.412 1.027 20 30 CDEDRP C[NH+](C)C(C)(C)CNC(=[NH2+])NCCc1ccccc1 ZINC000303793609 724347649 /nfs/dbraw/zinc/34/76/49/724347649.db2.gz ZRIQIVXCWJSTKN-UHFFFAOYSA-N 2 0 262.401 1.474 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2 ZINC001035733737 724353630 /nfs/dbraw/zinc/35/36/30/724353630.db2.gz YMGAIRWCVLVUOL-CQSZACIVSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001033127557 724355098 /nfs/dbraw/zinc/35/50/98/724355098.db2.gz VUMKJSYITYLGHV-JKSUJKDBSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001046318270 724456054 /nfs/dbraw/zinc/45/60/54/724456054.db2.gz WRWRLTZAAOIORC-NVXWUHKLSA-N 2 0 291.439 1.463 20 30 CDEDRP CNC(NCC1(N(C)Cc2ccccc2)CCC1)=[NH+]C ZINC000386484985 724482360 /nfs/dbraw/zinc/48/23/60/724482360.db2.gz ADNOWEHFDWAKDB-UHFFFAOYSA-N 2 0 274.412 1.836 20 30 CDEDRP C[N@H+](C[C@@H](O)CC1(C#N)CCC1)C[C@H]1CCC[NH+](C)C1 ZINC000886018496 725417959 /nfs/dbraw/zinc/41/79/59/725417959.db2.gz BDCNDPIKZFJJLJ-GJZGRUSLSA-N 2 0 279.428 1.705 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001036131241 724485168 /nfs/dbraw/zinc/48/51/68/724485168.db2.gz KCSYODKXKKNGPQ-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001026139787 724502232 /nfs/dbraw/zinc/50/22/32/724502232.db2.gz SRNTXFWEVZDQMZ-SUJAAXHWSA-N 2 0 291.439 1.339 20 30 CDEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)Cc2ncc[nH]2)CC1 ZINC001016899747 724503892 /nfs/dbraw/zinc/50/38/92/724503892.db2.gz YGYNUAGXKFCUGD-ZDUSSCGKSA-N 2 0 288.395 1.499 20 30 CDEDRP C=CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000985656489 724622127 /nfs/dbraw/zinc/62/21/27/724622127.db2.gz XYSJNFSVAHZCHW-ZFWWWQNUSA-N 2 0 279.428 1.293 20 30 CDEDRP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000303895531 724628792 /nfs/dbraw/zinc/62/87/92/724628792.db2.gz TYNAITDHSPTJMR-AWEZNQCLSA-N 2 0 266.433 1.907 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001019384226 724692481 /nfs/dbraw/zinc/69/24/81/724692481.db2.gz XOCAQHXHDOQDSC-BBRMVZONSA-N 2 0 295.402 1.023 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033082869 724706764 /nfs/dbraw/zinc/70/67/64/724706764.db2.gz UWCJNPXVLIHTCP-HOTGVXAUSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000999307212 724735736 /nfs/dbraw/zinc/73/57/36/724735736.db2.gz MVOXDLLOFZIPRK-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C#N)cn1 ZINC000849020835 724752883 /nfs/dbraw/zinc/75/28/83/724752883.db2.gz NJQOUBCWLBGXRS-CQSZACIVSA-N 2 0 286.383 1.052 20 30 CDEDRP C[C@H](CNC(=[NH2+])N(C)C1CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000305807910 724772606 /nfs/dbraw/zinc/77/26/06/724772606.db2.gz HJSIEGRVWZAYIO-NWDGAFQWSA-N 2 0 252.406 1.516 20 30 CDEDRP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033942250 724802930 /nfs/dbraw/zinc/80/29/30/724802930.db2.gz YITBOVGLHUAVFK-MRXNPFEDSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CCNC(=O)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000775690812 724803365 /nfs/dbraw/zinc/80/33/65/724803365.db2.gz QVONKWMBGOCYCZ-WBVHZDCISA-N 2 0 299.418 1.236 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000986564829 724815050 /nfs/dbraw/zinc/81/50/50/724815050.db2.gz FSINUXFZVIGBRN-DOMZBBRYSA-N 2 0 284.363 1.713 20 30 CDEDRP C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001017666528 723700752 /nfs/dbraw/zinc/70/07/52/723700752.db2.gz LLFHOXVOMBLZDB-ZNMIVQPWSA-N 2 0 277.412 1.332 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076239919 723741685 /nfs/dbraw/zinc/74/16/85/723741685.db2.gz BYNBLYNJBUPNCE-LSDHHAIUSA-N 2 0 291.439 1.437 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028002567 723765198 /nfs/dbraw/zinc/76/51/98/723765198.db2.gz CWGHOALVDXUMNR-OAHLLOKOSA-N 2 0 296.374 1.552 20 30 CDEDRP C#CCN1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034203577 723815086 /nfs/dbraw/zinc/81/50/86/723815086.db2.gz FKADPZOFMCGLEF-JKSUJKDBSA-N 2 0 291.439 1.463 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000988956686 723841335 /nfs/dbraw/zinc/84/13/35/723841335.db2.gz STZAWCOKTNRGFH-KGLIPLIRSA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000987352610 724343365 /nfs/dbraw/zinc/34/33/65/724343365.db2.gz AKSWGDOYJGSILN-STQMWFEESA-N 2 0 297.830 1.414 20 30 CDEDRP C#CCN1Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)C3)cc2C1 ZINC001054291715 725083499 /nfs/dbraw/zinc/08/34/99/725083499.db2.gz DFUPEYQOCMBRKU-INIZCTEOSA-N 2 0 297.402 1.203 20 30 CDEDRP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001052395752 725101418 /nfs/dbraw/zinc/10/14/18/725101418.db2.gz ZFXWIXCZZMSBBH-HRCADAONSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014724870 725102176 /nfs/dbraw/zinc/10/21/76/725102176.db2.gz XSDDLHWIWHIBTK-GOEBONIOSA-N 2 0 291.439 1.770 20 30 CDEDRP NC(Cc1cccnc1)=NOCC[NH+]1CCCCC1 ZINC000194407522 725128127 /nfs/dbraw/zinc/12/81/27/725128127.db2.gz JPDSITAKFJFRNR-UHFFFAOYSA-N 2 0 262.357 1.399 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001015609220 725133084 /nfs/dbraw/zinc/13/30/84/725133084.db2.gz ZKBCYRVZBSGNOF-SOUVJXGZSA-N 2 0 279.428 1.483 20 30 CDEDRP N#Cc1ccc(NCC[NH2+][C@@H]2CCC[C@H]2C[NH3+])nc1 ZINC000925892903 725169210 /nfs/dbraw/zinc/16/92/10/725169210.db2.gz HQODNIFBBMKWQW-QWHCGFSZSA-N 2 0 259.357 1.082 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049516084 725183645 /nfs/dbraw/zinc/18/36/45/725183645.db2.gz ZGNBGEDGZIESQE-LSDHHAIUSA-N 2 0 291.439 1.722 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023750886 725196359 /nfs/dbraw/zinc/19/63/59/725196359.db2.gz ZBDIPVNUUYXBIV-GJZGRUSLSA-N 2 0 279.428 1.342 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001018849109 725213965 /nfs/dbraw/zinc/21/39/65/725213965.db2.gz ONUNOCFGJNIDGA-AWEZNQCLSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000998897604 725227438 /nfs/dbraw/zinc/22/74/38/725227438.db2.gz IKBLNWZSQUQOLZ-FHERZECASA-N 2 0 291.439 1.177 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999222610 725258959 /nfs/dbraw/zinc/25/89/59/725258959.db2.gz IGMJQJSGOGOKEC-UHFFFAOYSA-N 2 0 277.412 1.073 20 30 CDEDRP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001032798890 725274216 /nfs/dbraw/zinc/27/42/16/725274216.db2.gz KZLIXGBTZKAVHW-IRXDYDNUSA-N 2 0 299.418 1.833 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001031715698 725274518 /nfs/dbraw/zinc/27/45/18/725274518.db2.gz YELYEXMPQFYNOX-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001027434267 725302617 /nfs/dbraw/zinc/30/26/17/725302617.db2.gz NKCQODBZOOACOA-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001046612918 725321926 /nfs/dbraw/zinc/32/19/26/725321926.db2.gz WXMKVEFKJHTLOU-WBMJQRKESA-N 2 0 288.395 1.596 20 30 CDEDRP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001040115522 725335295 /nfs/dbraw/zinc/33/52/95/725335295.db2.gz PVWHWIPCVASDEJ-NVXWUHKLSA-N 2 0 291.439 1.581 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCCOC ZINC000303986403 725413896 /nfs/dbraw/zinc/41/38/96/725413896.db2.gz UKXSFAMFABCOTH-ZDUSSCGKSA-N 2 0 270.421 1.192 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009507354 725414176 /nfs/dbraw/zinc/41/41/76/725414176.db2.gz GYVSUIHHDAJLLO-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CC[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046739072 725415353 /nfs/dbraw/zinc/41/53/53/725415353.db2.gz INUHAWJQNSTUFN-KRWDZBQOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001014494058 725422154 /nfs/dbraw/zinc/42/21/54/725422154.db2.gz KKJASIKXPMVOPU-ZDUSSCGKSA-N 2 0 288.395 1.138 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262019979 725450641 /nfs/dbraw/zinc/45/06/41/725450641.db2.gz YOJVKBMEWUFLQA-PWNZVWSESA-N 2 0 278.444 1.680 20 30 CDEDRP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)NCCC#N ZINC000880517165 725510322 /nfs/dbraw/zinc/51/03/22/725510322.db2.gz KCUKWZDBVGDGHG-UHFFFAOYSA-N 2 0 280.416 1.214 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001049368988 725543161 /nfs/dbraw/zinc/54/31/61/725543161.db2.gz LAHRALNVZIYPSE-ARFHVFGLSA-N 2 0 291.439 1.722 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049214083 725548623 /nfs/dbraw/zinc/54/86/23/725548623.db2.gz ZWHVGQMVAIHBEO-OAGGEKHMSA-N 2 0 291.439 1.295 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001032587313 725646359 /nfs/dbraw/zinc/64/63/59/725646359.db2.gz UFPBISOIMJSGQC-VGWMRTNUSA-N 2 0 291.439 1.578 20 30 CDEDRP CC[N@@H+]1CC[C@H](CNC(NC[C@]2(C)CCCS2)=[NH+]C)C1 ZINC000262021396 725653718 /nfs/dbraw/zinc/65/37/18/725653718.db2.gz YVWHNEFGNALPNW-HIFRSBDPSA-N 2 0 298.500 1.779 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001038270053 725668366 /nfs/dbraw/zinc/66/83/66/725668366.db2.gz VPVQJSBEXXVNPX-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001041680721 725693363 /nfs/dbraw/zinc/69/33/63/725693363.db2.gz VBMPMWXTGAATKI-RDJZCZTQSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999870803 725936479 /nfs/dbraw/zinc/93/64/79/725936479.db2.gz HKJOKUALNCRZFV-AWEZNQCLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001036294515 725946906 /nfs/dbraw/zinc/94/69/06/725946906.db2.gz RWVLOCARUMXZLG-GXTWGEPZSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CCN1CC(N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001042911306 725947291 /nfs/dbraw/zinc/94/72/91/725947291.db2.gz LHXQOIWIEIQOQA-CQSZACIVSA-N 2 0 279.428 1.293 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027883904 725968069 /nfs/dbraw/zinc/96/80/69/725968069.db2.gz DSYXBRFEGDREOP-JKSUJKDBSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000996770856 726001084 /nfs/dbraw/zinc/00/10/84/726001084.db2.gz PHROYHUCEWVPNN-UHFFFAOYSA-N 2 0 277.412 1.381 20 30 CDEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001041678191 726002791 /nfs/dbraw/zinc/00/27/91/726002791.db2.gz HCLZMBPNVLWILU-WBVHZDCISA-N 2 0 291.439 1.439 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001100677177 1167503358 /nfs/dbraw/zinc/50/33/58/1167503358.db2.gz ZSPYWIBKPPTDEI-NFOMZHRRSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CC[NH2+]CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397492296 895078714 /nfs/dbraw/zinc/07/87/14/895078714.db2.gz LIAIKCZPSWTHHC-UHFFFAOYSA-N 2 0 299.418 1.238 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211284204 895665752 /nfs/dbraw/zinc/66/57/52/895665752.db2.gz JRZFTDRCGYRIAJ-OAHLLOKOSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127351693 914013472 /nfs/dbraw/zinc/01/34/72/914013472.db2.gz MOTDZLHTQCXUGI-AWEZNQCLSA-N 2 0 279.428 1.533 20 30 CDEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001104873631 899606644 /nfs/dbraw/zinc/60/66/44/899606644.db2.gz CFHSWODLNSVVOY-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001104874507 899606718 /nfs/dbraw/zinc/60/67/18/899606718.db2.gz WQKLLCMFJZOALZ-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001269091889 903408530 /nfs/dbraw/zinc/40/85/30/903408530.db2.gz BHYCRAQGEGERCL-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001088330896 906917604 /nfs/dbraw/zinc/91/76/04/906917604.db2.gz KUAHBOTYUGDBQT-HOTGVXAUSA-N 2 0 293.455 1.567 20 30 CDEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001088336360 906947722 /nfs/dbraw/zinc/94/77/22/906947722.db2.gz BXPPPEJMWKVDRD-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000986812175 907570798 /nfs/dbraw/zinc/57/07/98/907570798.db2.gz OIAGAKCSWDKOOO-HIFRSBDPSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088563611 907939559 /nfs/dbraw/zinc/93/95/59/907939559.db2.gz XDCXVEGHIXSMJO-QLFBSQMISA-N 2 0 279.428 1.624 20 30 CDEDRP C#CCOCCOCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168303784 908945908 /nfs/dbraw/zinc/94/59/08/908945908.db2.gz DFYHUKGEFAEWRU-UHFFFAOYSA-N 2 0 268.401 1.115 20 30 CDEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001092736856 909499826 /nfs/dbraw/zinc/49/98/26/909499826.db2.gz ZAXUIJVUYWMGMX-BZUAXINKSA-N 2 0 291.439 1.178 20 30 CDEDRP CC(C)[C@H](CNC(=[NH2+])N(C)C)[NH+]1CCC(C)CC1 ZINC000170912864 912093855 /nfs/dbraw/zinc/09/38/55/912093855.db2.gz HREHZGQCYOREKP-ZDUSSCGKSA-N 2 0 254.422 1.619 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178360960 915393305 /nfs/dbraw/zinc/39/33/05/915393305.db2.gz UAWSRTUTDUQLBV-SOUVJXGZSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001179393562 915833201 /nfs/dbraw/zinc/83/32/01/915833201.db2.gz ZXEJLPZDANXNDV-UHFFFAOYSA-N 2 0 293.455 1.618 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)C1CC[NH+](C)CC1 ZINC001179461145 915842243 /nfs/dbraw/zinc/84/22/43/915842243.db2.gz CCGSFVXQZSULHX-UHFFFAOYSA-N 2 0 279.428 1.228 20 30 CDEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001097852684 936394593 /nfs/dbraw/zinc/39/45/93/936394593.db2.gz DIKDNLMAKZSLNW-FPCVCCKLSA-N 2 0 291.439 1.626 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001183240404 918401975 /nfs/dbraw/zinc/40/19/75/918401975.db2.gz DACAZAIYYVWEHX-HZPDHXFCSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001184578196 919195196 /nfs/dbraw/zinc/19/51/96/919195196.db2.gz SGHQJDJJXTYNLJ-GJZGRUSLSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185214206 919483624 /nfs/dbraw/zinc/48/36/24/919483624.db2.gz QIVGKJQDMLBGEB-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001185336732 919555843 /nfs/dbraw/zinc/55/58/43/919555843.db2.gz KHIDCMIYBZDWJZ-CABCVRRESA-N 2 0 279.428 1.036 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001185446966 919630854 /nfs/dbraw/zinc/63/08/54/919630854.db2.gz OTMQJXHSSLITJV-GJZGRUSLSA-N 2 0 279.428 1.036 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001185609535 919676250 /nfs/dbraw/zinc/67/62/50/919676250.db2.gz JZVOGJROXQOGHO-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001185715986 919726684 /nfs/dbraw/zinc/72/66/84/919726684.db2.gz MYXPLZQOGUMRLI-ZNMIVQPWSA-N 2 0 281.444 1.872 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121344 920369376 /nfs/dbraw/zinc/36/93/76/920369376.db2.gz HTFYDEPSYNWBEJ-LSDHHAIUSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191685256 922716671 /nfs/dbraw/zinc/71/66/71/922716671.db2.gz YGTDVHJASCCZMP-HNNXBMFYSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001191997159 922848930 /nfs/dbraw/zinc/84/89/30/922848930.db2.gz FYBVJQDHYNCZNC-ZDUSSCGKSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193462076 923697356 /nfs/dbraw/zinc/69/73/56/923697356.db2.gz KMYPNZUCBSKWOM-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193489263 923727078 /nfs/dbraw/zinc/72/70/78/923727078.db2.gz VKXYCKMUVPWCGB-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000923374622 923789666 /nfs/dbraw/zinc/78/96/66/923789666.db2.gz BUFXBIBPEVMREZ-HRCADAONSA-N 2 0 282.428 1.532 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002341 924011724 /nfs/dbraw/zinc/01/17/24/924011724.db2.gz RHFNXEJYZHJWLN-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001194266075 924140633 /nfs/dbraw/zinc/14/06/33/924140633.db2.gz KENABMJITRBQSI-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001082544289 924956803 /nfs/dbraw/zinc/95/68/03/924956803.db2.gz UVLZELVPPFDZBF-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201334495 926273659 /nfs/dbraw/zinc/27/36/59/926273659.db2.gz JGISBPJYZZWOMV-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001086221095 926852344 /nfs/dbraw/zinc/85/23/44/926852344.db2.gz GFTFVNHNQLNFOL-QXSJWSMHSA-N 2 0 289.423 1.121 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001103434172 937141552 /nfs/dbraw/zinc/14/15/52/937141552.db2.gz SGEOAOVBRKGQAG-OWCLPIDISA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001169991723 928867018 /nfs/dbraw/zinc/86/70/18/928867018.db2.gz QNXTZUTZPCTHFU-LSDHHAIUSA-N 2 0 297.443 1.158 20 30 CDEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001169991720 928867592 /nfs/dbraw/zinc/86/75/92/928867592.db2.gz QNXTZUTZPCTHFU-CABCVRRESA-N 2 0 297.443 1.158 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001202503033 929134138 /nfs/dbraw/zinc/13/41/38/929134138.db2.gz IQEYBDQOMQQDMT-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134729953 929867179 /nfs/dbraw/zinc/86/71/79/929867179.db2.gz QOXSMQKAFIUBLT-HUUCEWRRSA-N 2 0 291.439 1.369 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780635 929896703 /nfs/dbraw/zinc/89/67/03/929896703.db2.gz PDOKAIJZQQNCJC-UHFFFAOYSA-N 2 0 253.390 1.000 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135314460 930150660 /nfs/dbraw/zinc/15/06/60/930150660.db2.gz BHPIWTMRZLBCGY-KGLIPLIRSA-N 2 0 267.417 1.224 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153823960 937474417 /nfs/dbraw/zinc/47/44/17/937474417.db2.gz FXDWWLIBISDWFA-TZMCWYRMSA-N 2 0 267.417 1.339 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001091039201 931740697 /nfs/dbraw/zinc/74/06/97/931740697.db2.gz SAHBMWLNZITIAH-SSHXOBKSSA-N 2 0 293.455 1.777 20 30 CDEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171248999 932120182 /nfs/dbraw/zinc/12/01/82/932120182.db2.gz ZVKOXUJELGDTFX-GDBMZVCRSA-N 2 0 293.455 1.615 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091530936 932213753 /nfs/dbraw/zinc/21/37/53/932213753.db2.gz JBEJHAKXENLIBM-FMKPAKJESA-N 2 0 277.412 1.047 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146338425 932236174 /nfs/dbraw/zinc/23/61/74/932236174.db2.gz GFWMJQIUIHWRNO-ZIAGYGMSSA-N 2 0 267.417 1.531 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146337534 932236668 /nfs/dbraw/zinc/23/66/68/932236668.db2.gz CYGKARBGYNXOTM-CHWSQXEVSA-N 2 0 287.835 1.708 20 30 CDEDRP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146408394 932245548 /nfs/dbraw/zinc/24/55/48/932245548.db2.gz IMAROQXJOVDOTF-GJZGRUSLSA-N 2 0 281.444 1.921 20 30 CDEDRP CC#CC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)CC)C2)C1 ZINC001147812205 932604911 /nfs/dbraw/zinc/60/49/11/932604911.db2.gz SQROXIJMDFGKOL-UHFFFAOYSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147825156 932613835 /nfs/dbraw/zinc/61/38/35/932613835.db2.gz PIVWLSIMYDBWPS-KGLIPLIRSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)C[N@@H+](C)CCC ZINC001148642866 932757288 /nfs/dbraw/zinc/75/72/88/932757288.db2.gz ONIRSZJRNOSEPW-UHFFFAOYSA-N 2 0 269.433 1.780 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155282970 937656447 /nfs/dbraw/zinc/65/64/47/937656447.db2.gz FTSYYVGUJLMPPW-OAHLLOKOSA-N 2 0 293.455 1.568 20 30 CDEDRP CC#CC[NH2+]C1(CNC(=O)C[N@@H+](C)CCC)CCCCC1 ZINC001120046238 937776272 /nfs/dbraw/zinc/77/62/72/937776272.db2.gz SFUOQKCOLVGOKI-UHFFFAOYSA-N 2 0 293.455 1.760 20 30 CDEDRP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CC#CC[NH+](C)C ZINC001120491778 937803112 /nfs/dbraw/zinc/80/31/12/937803112.db2.gz CVJPUASXHOPYDG-INIZCTEOSA-N 2 0 290.407 1.198 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001114794092 934970130 /nfs/dbraw/zinc/97/01/30/934970130.db2.gz BXZGNDLEPSPHJE-CBBWQLFWSA-N 2 0 279.428 1.195 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC001121922424 937890714 /nfs/dbraw/zinc/89/07/14/937890714.db2.gz IZQFYQJRRSQNMN-QWHCGFSZSA-N 2 0 269.433 1.763 20 30 CDEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)C[NH+](CC)CC)C2)C1 ZINC001121935524 937892367 /nfs/dbraw/zinc/89/23/67/937892367.db2.gz RPDFJIXUBZOADO-UHFFFAOYSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156901675 938431763 /nfs/dbraw/zinc/43/17/63/938431763.db2.gz SNFCACUUXXTRKJ-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157112925 938455703 /nfs/dbraw/zinc/45/57/03/938455703.db2.gz CNDQUFVMONDOQU-OAHLLOKOSA-N 2 0 299.459 1.356 20 30 CDEDRP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001158474286 938628454 /nfs/dbraw/zinc/62/84/54/938628454.db2.gz WLEZFSFPHLBEEV-HZPDHXFCSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001159628523 938742327 /nfs/dbraw/zinc/74/23/27/938742327.db2.gz LAOPPRWRXRKBQQ-MRXNPFEDSA-N 2 0 291.439 1.795 20 30 CDEDRP Cc1cc(Cl)nc(N[C@H]([NH3+])CCC[NH3+])c1C#N ZINC001159780279 938752217 /nfs/dbraw/zinc/75/22/17/938752217.db2.gz WLBYYQUMRTTZTQ-JTQLQIEISA-N 2 0 253.737 1.351 20 30 CDEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160352480 938782372 /nfs/dbraw/zinc/78/23/72/938782372.db2.gz JCSFRUQXHFNIJP-INIZCTEOSA-N 2 0 291.439 1.651 20 30 CDEDRP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc[nH+]c(CC#N)c1 ZINC001162466566 939061823 /nfs/dbraw/zinc/06/18/23/939061823.db2.gz NPKLNDZSQLAOSL-CHWSQXEVSA-N 2 0 258.369 1.617 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001162611297 939102854 /nfs/dbraw/zinc/10/28/54/939102854.db2.gz IISCYNWTKQUINH-UHFFFAOYSA-N 2 0 292.770 1.796 20 30 CDEDRP C#C[C@H]1CCCN(c2cccc(N3CCC([NH3+])CC3)[nH+]2)C1 ZINC001167004737 939669904 /nfs/dbraw/zinc/66/99/04/939669904.db2.gz BOKFQCZRLNEOKL-AWEZNQCLSA-N 2 0 284.407 1.859 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001167035997 939674484 /nfs/dbraw/zinc/67/44/84/939674484.db2.gz STDZACYIJPJIBZ-OAHLLOKOSA-N 2 0 293.455 1.472 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203359487 939684093 /nfs/dbraw/zinc/68/40/93/939684093.db2.gz SPYCJANUQNRUOH-HUUCEWRRSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001203443494 939686676 /nfs/dbraw/zinc/68/66/76/939686676.db2.gz UVPSTLQARLIGND-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001205457905 939891182 /nfs/dbraw/zinc/89/11/82/939891182.db2.gz VUIBWPRLTBQKJH-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206872650 940105365 /nfs/dbraw/zinc/10/53/65/940105365.db2.gz OANHWVJPZGOCFS-INIZCTEOSA-N 2 0 291.439 1.180 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209277757 940455756 /nfs/dbraw/zinc/45/57/56/940455756.db2.gz KYNVLCZHJZRAKW-CYBMUJFWSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211228622 940740479 /nfs/dbraw/zinc/74/04/79/940740479.db2.gz FMYCGQZJJSLCNV-OAHLLOKOSA-N 2 0 279.428 1.629 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215413739 940884815 /nfs/dbraw/zinc/88/48/15/940884815.db2.gz KUKQBAXIHVTKMC-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216757705 940964707 /nfs/dbraw/zinc/96/47/07/940964707.db2.gz JJSMVBLBKRQPSR-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216834380 940968012 /nfs/dbraw/zinc/96/80/12/940968012.db2.gz OWYRZGGCPRPGDR-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C1CC[NH2+]C[C@@H]1OC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217830841 941021575 /nfs/dbraw/zinc/02/15/75/941021575.db2.gz AXBYRIBRJONWAL-CABCVRRESA-N 2 0 280.412 1.470 20 30 CDEDRP Cc1ncc(C#N)cc1NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001218659797 941255224 /nfs/dbraw/zinc/25/52/24/941255224.db2.gz VYCSMYAYQPJPLJ-ZDUSSCGKSA-N 2 0 289.383 1.259 20 30 CDEDRP N#Cc1c[nH]c2cc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])ccc12 ZINC001219047458 941303028 /nfs/dbraw/zinc/30/30/28/941303028.db2.gz YJUGYHTYRFGVNA-LBPRGKRZSA-N 2 0 299.378 1.824 20 30 CDEDRP C#Cc1ccc(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)cc1F ZINC001219384107 941338204 /nfs/dbraw/zinc/33/82/04/941338204.db2.gz ITVWTPHOEPOPIL-HNNXBMFYSA-N 2 0 291.370 1.805 20 30 CDEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H](C#N)c1ccccc1 ZINC001219557955 941355099 /nfs/dbraw/zinc/35/50/99/941355099.db2.gz GZCLKMLVUYVKNS-UONOGXRCSA-N 2 0 274.368 1.084 20 30 CDEDRP C#Cc1ccc(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC001220382271 941441570 /nfs/dbraw/zinc/44/15/70/941441570.db2.gz UFXHIMPRAVGYBW-MRXNPFEDSA-N 2 0 297.402 1.158 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001221968460 941556141 /nfs/dbraw/zinc/55/61/41/941556141.db2.gz PFBCRQBWHQJSKL-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001228889188 942389083 /nfs/dbraw/zinc/38/90/83/942389083.db2.gz UUNASYWDGBFBJL-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1CCCC[NH3+] ZINC001235635570 944227453 /nfs/dbraw/zinc/22/74/53/944227453.db2.gz FDISIMIGSXDDIL-AWEZNQCLSA-N 2 0 278.400 1.261 20 30 CDEDRP C=CC[NH2+]CCN1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702837 944255165 /nfs/dbraw/zinc/25/51/65/944255165.db2.gz OMRGZRLTBLFBKR-UHFFFAOYSA-N 2 0 251.418 1.474 20 30 CDEDRP C=CCCC[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236024241 944380505 /nfs/dbraw/zinc/38/05/05/944380505.db2.gz YAEONZJGOWJTNY-CTASWTNQSA-N 2 0 278.396 1.283 20 30 CDEDRP C[NH+]1CC2(C1)CC[NH+](Cc1ccnc(C#N)c1)CC2 ZINC001237468706 944798172 /nfs/dbraw/zinc/79/81/72/944798172.db2.gz KTRNLWTUHVWQLF-UHFFFAOYSA-N 2 0 256.353 1.481 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)[C@@H]1CC[C@@H](C#N)C1 ZINC001254671263 947588091 /nfs/dbraw/zinc/58/80/91/947588091.db2.gz QFJIPWTXEQSCED-HZPDHXFCSA-N 2 0 280.460 1.884 20 30 CDEDRP C=C[C@@H](COC)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001255013048 947690979 /nfs/dbraw/zinc/69/09/79/947690979.db2.gz GUOYUOUSLCEDBH-HNNXBMFYSA-N 2 0 278.396 1.918 20 30 CDEDRP C[N@@H+]1CC[C@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)C1 ZINC001255421922 947869926 /nfs/dbraw/zinc/86/99/26/947869926.db2.gz UIKBGXLANQNYGQ-AWEZNQCLSA-N 2 0 268.364 1.891 20 30 CDEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1CC[NH2+][C@@H](CC)C1 ZINC001246302635 948095333 /nfs/dbraw/zinc/09/53/33/948095333.db2.gz DQLKOHOEMOODLW-KKUMJFAQSA-N 2 0 297.443 1.333 20 30 CDEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001479909621 971482449 /nfs/dbraw/zinc/48/24/49/971482449.db2.gz HHIXCDMTIRGWKY-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C[C@@](C)(O)C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001252572375 951465071 /nfs/dbraw/zinc/46/50/71/951465071.db2.gz PVBDWIYLYSIYJC-QLFBSQMISA-N 2 0 254.418 1.881 20 30 CDEDRP C=C[C@](C)(O)C[NH2+]CC1CC[NH+](C2CCC2)CC1 ZINC001252578700 951471465 /nfs/dbraw/zinc/47/14/65/951471465.db2.gz GSFQILHWWCAOIB-HNNXBMFYSA-N 2 0 252.402 1.778 20 30 CDEDRP N#CC1(c2ccccc2)CC([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001330792578 956631859 /nfs/dbraw/zinc/63/18/59/956631859.db2.gz FBACQNNTVRTQGD-DVNCMIAASA-N 2 0 255.365 1.937 20 30 CDEDRP C=CCCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001316947066 957147009 /nfs/dbraw/zinc/14/70/09/957147009.db2.gz GYHZACGCKSBSAJ-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001495382062 972484813 /nfs/dbraw/zinc/48/48/13/972484813.db2.gz ZMODCQOWJSSKBN-CABCVRRESA-N 2 0 279.428 1.178 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001341601555 963479641 /nfs/dbraw/zinc/47/96/41/963479641.db2.gz WXIZLPDIJGTMNX-CABCVRRESA-N 2 0 281.444 1.764 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC001341673102 963506308 /nfs/dbraw/zinc/50/63/08/963506308.db2.gz WPKTUAJZLPDSMD-KBPBESRZSA-N 2 0 267.417 1.518 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001441400390 964497843 /nfs/dbraw/zinc/49/78/43/964497843.db2.gz COZPHAITKSWKAY-SRVKXCTJSA-N 2 0 273.808 1.316 20 30 CDEDRP C#CC[NH+]1CCC(OC(=O)[C@H]2CCCC[N@H+]2CCC)CC1 ZINC001345672842 964779717 /nfs/dbraw/zinc/77/97/17/964779717.db2.gz BTEBGGHUKUCBDB-MRXNPFEDSA-N 2 0 292.423 1.892 20 30 CDEDRP C#CC[NH2+]CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001353533988 968051884 /nfs/dbraw/zinc/05/18/84/968051884.db2.gz CFIBOOVJCRPFOM-MRXNPFEDSA-N 2 0 291.439 1.324 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001100407686 968265207 /nfs/dbraw/zinc/26/52/07/968265207.db2.gz FKSPBNTVXHNKNJ-ZALBZXLWSA-N 2 0 279.428 1.387 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001100420586 968293930 /nfs/dbraw/zinc/29/39/30/968293930.db2.gz NTNXXLKXVQPMHR-UYSNPLJNSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001401652357 975763406 /nfs/dbraw/zinc/76/34/06/975763406.db2.gz OORCQAWUWHQTHO-GFCCVEGCSA-N 2 0 287.835 1.565 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001398686238 976106253 /nfs/dbraw/zinc/10/62/53/976106253.db2.gz JOIBSKWXYLWXAP-UONOGXRCSA-N 2 0 299.846 1.661 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001380406753 976411192 /nfs/dbraw/zinc/41/11/92/976411192.db2.gz XANKFKRNOAVRRO-HIFRSBDPSA-N 2 0 299.846 1.661 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001382130537 977180512 /nfs/dbraw/zinc/18/05/12/977180512.db2.gz XQULGBOUFDVJBD-QWHCGFSZSA-N 2 0 289.851 1.762 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001382284704 977237882 /nfs/dbraw/zinc/23/78/82/977237882.db2.gz KMCGVVUIARCHBR-QWHCGFSZSA-N 2 0 299.846 1.660 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]cn2)CC[C@@H]1C ZINC001132874082 1163498639 /nfs/dbraw/zinc/49/86/39/1163498639.db2.gz DKRJRRKXUPTHFS-UONOGXRCSA-N 2 0 290.411 1.603 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001675527186 1174124334 /nfs/dbraw/zinc/12/43/34/1174124334.db2.gz KNCVFWXBGWFIEY-APIJFGDWSA-N 2 0 279.428 1.197 20 30 CDEDRP C[C@H](CCNC(=O)[C@H]([NH3+])CCCC#N)[NH+]1CCCCC1 ZINC001575962539 1171305109 /nfs/dbraw/zinc/30/51/09/1171305109.db2.gz SWCQKQMQBZHFQS-ZIAGYGMSSA-N 2 0 280.416 1.388 20 30 CDEDRP Cc1nc(N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccc1C#N ZINC000589863362 342515899 /nfs/dbraw/zinc/51/58/99/342515899.db2.gz YENPKEOVRPHKLG-OAHLLOKOSA-N 2 0 299.422 1.264 20 30 CDEDRP C=CCNC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590787045 342597054 /nfs/dbraw/zinc/59/70/54/342597054.db2.gz VFZAKWBLMDWTSP-UHFFFAOYSA-N 2 0 267.417 1.341 20 30 CDEDRP N#Cc1ccc(NC(=O)CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107855976 349714692 /nfs/dbraw/zinc/71/46/92/349714692.db2.gz UBNFHRBETPCJBE-OKILXGFUSA-N 2 0 284.363 1.038 20 30 CDEDRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598612050 343842054 /nfs/dbraw/zinc/84/20/54/343842054.db2.gz YJWUWMYNGDXLPV-KGLIPLIRSA-N 2 0 267.417 1.703 20 30 CDEDRP C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C(C)(C)C[NH+](C)C ZINC000598722110 343884343 /nfs/dbraw/zinc/88/43/43/343884343.db2.gz ZDVSRLFLLHLDNJ-CHWSQXEVSA-N 2 0 269.433 1.853 20 30 CDEDRP C[C@@H](CCC#N)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000602453024 344436116 /nfs/dbraw/zinc/43/61/16/344436116.db2.gz XYOTVBUGHGYWAR-AWEZNQCLSA-N 2 0 294.443 1.316 20 30 CDEDRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000105476630 346647582 /nfs/dbraw/zinc/64/75/82/346647582.db2.gz RWSSJPJCBRULKG-UHFFFAOYSA-N 2 0 286.423 1.675 20 30 CDEDRP CN1CC[C@](O)(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000613040955 347381429 /nfs/dbraw/zinc/38/14/29/347381429.db2.gz MKZOTTZCJUFCIS-IRXDYDNUSA-N 2 0 285.391 1.592 20 30 CDEDRP C=C(C)C[NH+]1CCC(NCc2cnc(N(C)C)n2C)CC1 ZINC000414328438 362933882 /nfs/dbraw/zinc/93/38/82/362933882.db2.gz HCKOXCXMFHJYRV-UHFFFAOYSA-N 2 0 291.443 1.616 20 30 CDEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000181721199 357376808 /nfs/dbraw/zinc/37/68/08/357376808.db2.gz IHJWMNOZYXLPJV-HUUCEWRRSA-N 2 0 286.423 1.845 20 30 CDEDRP C=CCC[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccco1 ZINC000570953616 357559346 /nfs/dbraw/zinc/55/93/46/357559346.db2.gz WYQWGCQXRVHOJQ-ZDUSSCGKSA-N 2 0 277.368 1.308 20 30 CDEDRP C=CCOCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000348033558 359783154 /nfs/dbraw/zinc/78/31/54/359783154.db2.gz MXEIZDBGYSOAQJ-GJZGRUSLSA-N 2 0 252.402 1.995 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000123225569 360352653 /nfs/dbraw/zinc/35/26/53/360352653.db2.gz UMAAQXYJRJGAHK-GDBMZVCRSA-N 2 0 291.439 1.273 20 30 CDEDRP CC[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000575242504 361264988 /nfs/dbraw/zinc/26/49/88/361264988.db2.gz CRPRFQDAXHFZOB-HNNXBMFYSA-N 2 0 286.379 1.031 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001032205231 724381183 /nfs/dbraw/zinc/38/11/83/724381183.db2.gz SGEWGYWZXJCBKU-UHFFFAOYSA-N 2 0 287.407 1.596 20 30 CDEDRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000271954312 367043068 /nfs/dbraw/zinc/04/30/68/367043068.db2.gz PQZGZGPPLYUEHH-LBPRGKRZSA-N 2 0 291.370 1.805 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH+](CC)CC)C2)CC1 ZINC000174127137 367052705 /nfs/dbraw/zinc/05/27/05/367052705.db2.gz YJZRCCGZRBPIFK-MRXNPFEDSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000368613159 369536494 /nfs/dbraw/zinc/53/64/94/369536494.db2.gz MSNZSDIRDPNJBX-AWEZNQCLSA-N 2 0 252.402 1.874 20 30 CDEDRP C=CCN(Cc1ccc(OC)cc1)C[C@@](C)(O)C[NH2+]C ZINC000573331151 371505085 /nfs/dbraw/zinc/50/50/85/371505085.db2.gz NPRMXFUAGVWCAC-INIZCTEOSA-N 2 0 278.396 1.654 20 30 CDEDRP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000583747979 373758368 /nfs/dbraw/zinc/75/83/68/373758368.db2.gz LIHIBEASVCLRQJ-CQSZACIVSA-N 2 0 277.416 1.046 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247924683 377183833 /nfs/dbraw/zinc/18/38/33/377183833.db2.gz BLYGZXCEBIXAGW-KKUMJFAQSA-N 2 0 252.402 1.730 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000417534258 377875419 /nfs/dbraw/zinc/87/54/19/377875419.db2.gz VUYFUDPITAACGX-KBPBESRZSA-N 2 0 294.443 1.324 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000417534740 377877643 /nfs/dbraw/zinc/87/76/43/377877643.db2.gz WAPNTGBNWXMEKI-ZFWWWQNUSA-N 2 0 294.443 1.548 20 30 CDEDRP C=CCNC(=O)[C@H](C)[N@@H+](C)CCCc1nccn1CCC ZINC000191504642 378076616 /nfs/dbraw/zinc/07/66/16/378076616.db2.gz GHZHFDUROWTKTJ-AWEZNQCLSA-N 2 0 292.427 1.848 20 30 CDEDRP COCC[N@H+](C)CCC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443970679 250068544 /nfs/dbraw/zinc/06/85/44/250068544.db2.gz RMYRHUWNXJWPAU-UHFFFAOYSA-N 2 0 275.396 1.925 20 30 CDEDRP CC(C)[NH+](CCCNC(=O)[C@H]([NH3+])CCCC#N)C(C)C ZINC000575057066 335060057 /nfs/dbraw/zinc/06/00/57/335060057.db2.gz ATVKRJYFTYDSEH-CQSZACIVSA-N 2 0 282.432 1.633 20 30 CDEDRP C=CCOCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000339011234 391241829 /nfs/dbraw/zinc/24/18/29/391241829.db2.gz UJTCZAQZBICUPF-OAHLLOKOSA-N 2 0 252.402 1.853 20 30 CDEDRP CC(C)CNC(=[NH2+])NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000267408522 391193703 /nfs/dbraw/zinc/19/37/03/391193703.db2.gz HRDLZBBTUPAPFH-UHFFFAOYSA-N 2 0 280.391 1.948 20 30 CDEDRP C[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)CN1CC[NH+](C)CC1 ZINC000192822813 392534089 /nfs/dbraw/zinc/53/40/89/392534089.db2.gz VGSVROKNDCQKRF-PMPSAXMXSA-N 2 0 278.444 1.542 20 30 CDEDRP COc1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)ccc1C#N ZINC000281845314 393158856 /nfs/dbraw/zinc/15/88/56/393158856.db2.gz YTKDHOPVGLDXSL-UHFFFAOYSA-N 2 0 289.379 1.113 20 30 CDEDRP C=CCN(Cc1cccs1)C(=O)[C@H](N)CC[NH+](C)C ZINC000653060528 424195947 /nfs/dbraw/zinc/19/59/47/424195947.db2.gz GYYBWCULHRUPNI-CYBMUJFWSA-N 2 0 281.425 1.542 20 30 CDEDRP C[C@@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)N1CC[NH+](C)CC1 ZINC000353428288 278287170 /nfs/dbraw/zinc/28/71/70/278287170.db2.gz RFQVBOGGKCIAKY-KSSFIOAISA-N 2 0 298.434 1.771 20 30 CDEDRP C[C@@H](C(=O)NC1(C#N)CC[NH+](C)CC1)[NH+]1CCCCCC1 ZINC000531054872 327232722 /nfs/dbraw/zinc/23/27/22/327232722.db2.gz WWVVOBONTSADDF-AWEZNQCLSA-N 2 0 292.427 1.355 20 30 CDEDRP [NH2+]=C(NCC[NH+]1CCCCCC1)N1CCSCC1 ZINC000262010324 329997302 /nfs/dbraw/zinc/99/73/02/329997302.db2.gz TTYKZWPJIVNSHJ-UHFFFAOYSA-N 2 0 270.446 1.226 20 30 CDEDRP [NH2+]=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC1 ZINC000263117381 330044579 /nfs/dbraw/zinc/04/45/79/330044579.db2.gz LPYSQIZFNFNGEA-OAHLLOKOSA-N 2 0 272.396 1.529 20 30 CDEDRP CN1CCC[NH+]=C1NCC1(C[NH+](C)C)CCCC1 ZINC000263133696 330045259 /nfs/dbraw/zinc/04/52/59/330045259.db2.gz NJTYCIRJETXNBQ-UHFFFAOYSA-N 2 0 252.406 1.390 20 30 CDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423014151 330165375 /nfs/dbraw/zinc/16/53/75/330165375.db2.gz HLQNLDMMVKIAAJ-GBJTYRQASA-N 2 0 252.402 1.681 20 30 CDEDRP CCC[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424132090 330264391 /nfs/dbraw/zinc/26/43/91/330264391.db2.gz KGQOEKXCLDARSZ-AWEZNQCLSA-N 2 0 280.416 1.340 20 30 CDEDRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442768147 330781694 /nfs/dbraw/zinc/78/16/94/330781694.db2.gz NZCYKGPZMKMMEP-UONOGXRCSA-N 2 0 265.401 1.504 20 30 CDEDRP C#CC[NH+](C)CCCN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000491164669 332159291 /nfs/dbraw/zinc/15/92/91/332159291.db2.gz DIPMZHPGBWSAOO-CABCVRRESA-N 2 0 251.418 1.261 20 30 CDEDRP C#CCNC(=O)CC[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000491802969 332356893 /nfs/dbraw/zinc/35/68/93/332356893.db2.gz HQXJJTSJUZGKRA-KRWDZBQOSA-N 2 0 299.418 1.238 20 30 CDEDRP CC#CCCCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000545954787 334009076 /nfs/dbraw/zinc/00/90/76/334009076.db2.gz JLXSILZGGAFWBY-UHFFFAOYSA-N 2 0 267.417 1.132 20 30 CDEDRP COCC#CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000677818835 482297328 /nfs/dbraw/zinc/29/73/28/482297328.db2.gz WVRFDZFFAKBBQJ-UHFFFAOYSA-N 2 0 280.412 1.071 20 30 CDEDRP C=C(CC)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000678629376 483136608 /nfs/dbraw/zinc/13/66/08/483136608.db2.gz XECVVJZSNPEXHH-OAHLLOKOSA-N 2 0 251.418 1.664 20 30 CDEDRP C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001080779006 1161568878 /nfs/dbraw/zinc/56/88/78/1161568878.db2.gz DVNNDKRPHPWPDG-MRVWCRGKSA-N 2 0 299.846 1.517 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001113572599 1162225463 /nfs/dbraw/zinc/22/54/63/1162225463.db2.gz AMGAGSXSPZFXHJ-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP COc1cc(C[N@H+](C)CC(C)(C)C[NH3+])ccc1C#N ZINC000234794925 536744618 /nfs/dbraw/zinc/74/46/18/536744618.db2.gz ABMOGORNAVPNOL-UHFFFAOYSA-N 2 0 261.369 1.984 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000764536518 575919709 /nfs/dbraw/zinc/91/97/09/575919709.db2.gz JYQFYKZONKOIFO-UHFFFAOYSA-N 2 0 279.428 1.581 20 30 CDEDRP C#CC[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000963912992 612955462 /nfs/dbraw/zinc/95/54/62/612955462.db2.gz SEUDBYIMUGFDCM-FHERZECASA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000939816308 612970224 /nfs/dbraw/zinc/97/02/24/612970224.db2.gz PDKYRWSNMDVYLF-RHSMWYFYSA-N 2 0 299.418 1.432 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000972480205 613091176 /nfs/dbraw/zinc/09/11/76/613091176.db2.gz YMXITWWLPURTON-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C[NH2+]CC)C[C@H]2C)CC1 ZINC000980815298 613129965 /nfs/dbraw/zinc/12/99/65/613129965.db2.gz BHGDFSCPCTTZNC-CABCVRRESA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000948069795 613131662 /nfs/dbraw/zinc/13/16/62/613131662.db2.gz KNDAWOVYUHYVNW-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC000970365865 613247496 /nfs/dbraw/zinc/24/74/96/613247496.db2.gz GZHJOGDHDLZUIV-CQSZACIVSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)CC[NH+]1CCCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000981341216 613251893 /nfs/dbraw/zinc/25/18/93/613251893.db2.gz XHUUGLADCLTJLL-UHFFFAOYSA-N 2 0 293.455 1.971 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000957649507 613259407 /nfs/dbraw/zinc/25/94/07/613259407.db2.gz MJTLWUJZTXDEAM-CQSZACIVSA-N 2 0 265.401 1.049 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000962292055 613279383 /nfs/dbraw/zinc/27/93/83/613279383.db2.gz HKZLWBWMZFGHIN-LJIGWXMPSA-N 2 0 291.439 1.341 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000961657281 613279677 /nfs/dbraw/zinc/27/96/77/613279677.db2.gz CXFYFCPRSPDBGT-ZSHCYNCHSA-N 2 0 291.439 1.341 20 30 CDEDRP C=C(C)CN1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000951628670 613317984 /nfs/dbraw/zinc/31/79/84/613317984.db2.gz ZCMFLTPUCFNORA-HOTGVXAUSA-N 2 0 291.439 1.724 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000939754315 613386318 /nfs/dbraw/zinc/38/63/18/613386318.db2.gz MHHIUTRLCWGSJW-DGCLKSJQSA-N 2 0 285.819 1.271 20 30 CDEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000970927429 613531418 /nfs/dbraw/zinc/53/14/18/613531418.db2.gz DQHXUJZGTWTTQC-GDBMZVCRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980485669 613616534 /nfs/dbraw/zinc/61/65/34/613616534.db2.gz KTYONHTWTRANBZ-CVEARBPZSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[N@H+]1CCCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000981812761 613677830 /nfs/dbraw/zinc/67/78/30/613677830.db2.gz UOFQMLRIZOYCCB-UHFFFAOYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000981805177 613693448 /nfs/dbraw/zinc/69/34/48/613693448.db2.gz ZGWUQVQVZNAXAM-INIZCTEOSA-N 2 0 293.455 1.829 20 30 CDEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000962730774 613842625 /nfs/dbraw/zinc/84/26/25/613842625.db2.gz PHTLKNJESRBQME-FVQHAEBGSA-N 2 0 299.418 1.594 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000965912711 613858507 /nfs/dbraw/zinc/85/85/07/613858507.db2.gz QTVSCGPICYJKGL-BAYAOMGESA-N 2 0 277.412 1.141 20 30 CDEDRP C[C@H]1CCCN(C(=[NH2+])NCCC2CC[NH+](C)CC2)C1 ZINC000104181111 618078521 /nfs/dbraw/zinc/07/85/21/618078521.db2.gz MPTKKCKZCYPUHP-ZDUSSCGKSA-N 2 0 266.433 1.765 20 30 CDEDRP CC#CC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000897167154 620399238 /nfs/dbraw/zinc/39/92/38/620399238.db2.gz HOGHXSYXNCHZPI-UHFFFAOYSA-N 2 0 271.408 1.894 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000911765829 629482861 /nfs/dbraw/zinc/48/28/61/629482861.db2.gz ASUIWZOJKQFDNI-OLZOCXBDSA-N 2 0 253.390 1.271 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001086659411 1162802429 /nfs/dbraw/zinc/80/24/29/1162802429.db2.gz VHDFZVCAHVCBHZ-MJBXVCDLSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790209 1163048070 /nfs/dbraw/zinc/04/80/70/1163048070.db2.gz IMXALAIFMNLMRS-HNNXBMFYSA-N 2 0 279.428 1.533 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131786393 1163053636 /nfs/dbraw/zinc/05/36/36/1163053636.db2.gz PZXGJZHBBDGDQU-CYBMUJFWSA-N 2 0 285.819 1.319 20 30 CDEDRP C#CC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398078659 1160093177 /nfs/dbraw/zinc/09/31/77/1160093177.db2.gz RENFTILJVFPKEJ-DOTOQJQBSA-N 2 0 299.418 1.236 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874778 1161200667 /nfs/dbraw/zinc/20/06/67/1161200667.db2.gz SKMNOSCMEHQHOU-BZUAXINKSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CCC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132266094 1163218418 /nfs/dbraw/zinc/21/84/18/1163218418.db2.gz VREUXSQVUFQVSO-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132266767 1163220886 /nfs/dbraw/zinc/22/08/86/1163220886.db2.gz ZWAJZYSWAPWCAM-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132884807 1163500107 /nfs/dbraw/zinc/50/01/07/1163500107.db2.gz WGUBTUMDCSSODJ-GJZGRUSLSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001574960170 1171062184 /nfs/dbraw/zinc/06/21/84/1171062184.db2.gz KUVDRQGUOYFVJT-CABCVRRESA-N 2 0 291.395 1.512 20 30 CDEDRP COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC001579139013 1172103994 /nfs/dbraw/zinc/10/39/94/1172103994.db2.gz GVWJINLTLLNKSG-ZIAGYGMSSA-N 2 0 289.379 1.805 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001662644801 1172575010 /nfs/dbraw/zinc/57/50/10/1172575010.db2.gz FCUCVWXNTOXOJF-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP C=C(C)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001714139381 1178988782 /nfs/dbraw/zinc/98/87/82/1178988782.db2.gz POFJGSLHKYMHJF-CQSZACIVSA-N 2 0 279.428 1.675 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001753323120 1183970308 /nfs/dbraw/zinc/97/03/08/1183970308.db2.gz LNEARZDYAHGBAH-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001752841081 1184928376 /nfs/dbraw/zinc/92/83/76/1184928376.db2.gz OLVPQBPBYBCLFC-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001752997330 1184988637 /nfs/dbraw/zinc/98/86/37/1184988637.db2.gz UEUPQSBMGSUKAH-CQSZACIVSA-N 2 0 267.417 1.437 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001753039603 1185006965 /nfs/dbraw/zinc/00/69/65/1185006965.db2.gz GHYZXNUTZGFQTC-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCC[N@H+](CC)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001753091155 1185052631 /nfs/dbraw/zinc/05/26/31/1185052631.db2.gz KIYBJBPCEVPFIB-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001753448089 1185212539 /nfs/dbraw/zinc/21/25/39/1185212539.db2.gz MQBYHMZCWZZEBW-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001753498210 1185237660 /nfs/dbraw/zinc/23/76/60/1185237660.db2.gz VTWNLHUIFRJUGM-CABCVRRESA-N 2 0 279.428 1.369 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]CC)CCCC2)CC1 ZINC001753512336 1185242692 /nfs/dbraw/zinc/24/26/92/1185242692.db2.gz YFLRUERNORXSFO-UHFFFAOYSA-N 2 0 291.439 1.370 20 30 CDEDRP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001754321710 1185576718 /nfs/dbraw/zinc/57/67/18/1185576718.db2.gz QAWKJOCUKSQJFN-JKSUJKDBSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001754449441 1185623248 /nfs/dbraw/zinc/62/32/48/1185623248.db2.gz QVMGYRYESVAZIT-AEGPPILISA-N 2 0 279.428 1.387 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001755123960 1185823664 /nfs/dbraw/zinc/82/36/64/1185823664.db2.gz WTDFBFMWGDZUOT-LSDHHAIUSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001755320830 1185913874 /nfs/dbraw/zinc/91/38/74/1185913874.db2.gz ZSJUDKBGDZEFCD-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001755572998 1185995141 /nfs/dbraw/zinc/99/51/41/1185995141.db2.gz USSFZAUDPYYTLY-HOTGVXAUSA-N 2 0 291.439 1.319 20 30 CDEDRP CC#CC[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001755611067 1186011474 /nfs/dbraw/zinc/01/14/74/1186011474.db2.gz LZLUKDQRZVZFAP-HNNXBMFYSA-N 2 0 293.455 1.567 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001755661732 1186027986 /nfs/dbraw/zinc/02/79/86/1186027986.db2.gz QBZGCWPNHLLAGX-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001755665527 1186029736 /nfs/dbraw/zinc/02/97/36/1186029736.db2.gz XWCXGCDKAOPTHA-CHWSQXEVSA-N 2 0 253.390 1.093 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001755736817 1186053174 /nfs/dbraw/zinc/05/31/74/1186053174.db2.gz ANWONZOGBMNQMC-HUUCEWRRSA-N 2 0 291.439 1.675 20 30 CDEDRP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001755736816 1186053220 /nfs/dbraw/zinc/05/32/20/1186053220.db2.gz ANWONZOGBMNQMC-GJZGRUSLSA-N 2 0 291.439 1.675 20 30 CDEDRP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCCCCC2)C1 ZINC000305054177 1186633655 /nfs/dbraw/zinc/63/36/55/1186633655.db2.gz IPWLPMDLCKCRDQ-CQSZACIVSA-N 2 0 266.433 1.909 20 30 CDEDRP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001052430416 726017250 /nfs/dbraw/zinc/01/72/50/726017250.db2.gz SDLNWYOBEDXTCI-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[C@H](O)CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000923364302 726018172 /nfs/dbraw/zinc/01/81/72/726018172.db2.gz JXELMAQOSHZSGC-KKUMJFAQSA-N 2 0 252.402 1.920 20 30 CDEDRP CC(C)CNC(=[NH2+])NCC1([NH+]2CCCC2)CCOCC1 ZINC000304749104 726021621 /nfs/dbraw/zinc/02/16/21/726021621.db2.gz HMUQCFUETQSCSM-UHFFFAOYSA-N 2 0 282.432 1.192 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CC1(C)C ZINC000996301160 726042019 /nfs/dbraw/zinc/04/20/19/726042019.db2.gz QWJQKABNTKZPID-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCNC(=[NH2+])NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303262412 726065569 /nfs/dbraw/zinc/06/55/69/726065569.db2.gz PQPQAFYRJFELSD-BETUJISGSA-N 2 0 252.406 1.445 20 30 CDEDRP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001041685560 726085777 /nfs/dbraw/zinc/08/57/77/726085777.db2.gz HRMHOCGYDMOVBV-DOTOQJQBSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC000992172807 726126653 /nfs/dbraw/zinc/12/66/53/726126653.db2.gz BAMKQHZVYUKDPZ-BFYDXBDKSA-N 2 0 289.423 1.217 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NCC1(C)CC[NH+](C)CC1 ZINC000849016586 726170075 /nfs/dbraw/zinc/17/00/75/726170075.db2.gz UPASCOLDBNFYFT-UHFFFAOYSA-N 2 0 278.400 1.677 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001074769568 726181195 /nfs/dbraw/zinc/18/11/95/726181195.db2.gz LBHCDOHXPCHUJU-BPUTZDHNSA-N 2 0 291.439 1.626 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001020289202 726184123 /nfs/dbraw/zinc/18/41/23/726184123.db2.gz UMLRWZVOZDPDOM-TUVASFSCSA-N 2 0 277.412 1.426 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000997182612 726265264 /nfs/dbraw/zinc/26/52/64/726265264.db2.gz HGPLMTHGICNXQF-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP CCOCCCNC(=[NH2+])NCC(C)(C)[NH+]1CCCCC1 ZINC000303777390 726295581 /nfs/dbraw/zinc/29/55/81/726295581.db2.gz IRVMEDJKVWSNAN-UHFFFAOYSA-N 2 0 284.448 1.582 20 30 CDEDRP C#CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001049642539 726314691 /nfs/dbraw/zinc/31/46/91/726314691.db2.gz XWRRKZNSIGYXLN-OWCLPIDISA-N 2 0 289.423 1.169 20 30 CDEDRP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)Cn3ccnc3)C2)C1 ZINC001073483684 726372775 /nfs/dbraw/zinc/37/27/75/726372775.db2.gz CALZSIUHEGHUSS-UHFFFAOYSA-N 2 0 288.395 1.384 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCCC[N@H+](C)Cc2ccccc2)N1 ZINC000393944400 726410330 /nfs/dbraw/zinc/41/03/30/726410330.db2.gz NLORNAZLWDNBMD-CYBMUJFWSA-N 2 0 260.385 1.446 20 30 CDEDRP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049729107 726809442 /nfs/dbraw/zinc/80/94/42/726809442.db2.gz URKYDJGFTGGNTK-JYJNAYRXSA-N 2 0 291.439 1.415 20 30 CDEDRP C[C@@H]1CCCC[N@@H+]1CCCCNC1=[NH+]CCN1C ZINC000848989185 726862760 /nfs/dbraw/zinc/86/27/60/726862760.db2.gz DLILGBLBTVJGHN-CYBMUJFWSA-N 2 0 252.406 1.532 20 30 CDEDRP C#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049480192 726874584 /nfs/dbraw/zinc/87/45/84/726874584.db2.gz DXTCGEZRUDFHAB-FPCVCCKLSA-N 2 0 289.423 1.025 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014469669 726932201 /nfs/dbraw/zinc/93/22/01/726932201.db2.gz SRPXUFQIQRGNOJ-HOTGVXAUSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001034611211 726959057 /nfs/dbraw/zinc/95/90/57/726959057.db2.gz IYJPERVALQGTOI-MGPQQGTHSA-N 2 0 265.401 1.284 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000996560486 726993450 /nfs/dbraw/zinc/99/34/50/726993450.db2.gz ILKINXDBICVTFS-OAHLLOKOSA-N 2 0 277.412 1.095 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995899056 727006704 /nfs/dbraw/zinc/00/67/04/727006704.db2.gz VFMXLDNINYQXAV-LSDHHAIUSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034454452 727014603 /nfs/dbraw/zinc/01/46/03/727014603.db2.gz LITXOVNTULUYQJ-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC001035794555 727018737 /nfs/dbraw/zinc/01/87/37/727018737.db2.gz FVUAUTNSADFIIA-GJZGRUSLSA-N 2 0 291.439 1.295 20 30 CDEDRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000876940027 727088395 /nfs/dbraw/zinc/08/83/95/727088395.db2.gz OKVNNPIFVFDFNS-UHFFFAOYSA-N 2 0 287.407 1.883 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC[C@@H](C1CC1)[NH+](C)C ZINC000848994911 727094551 /nfs/dbraw/zinc/09/45/51/727094551.db2.gz NACIPHQCLOKPQD-ZDUSSCGKSA-N 2 0 264.373 1.285 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001044796222 727096392 /nfs/dbraw/zinc/09/63/92/727096392.db2.gz IKUZYDHGKDEXGF-CVEARBPZSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001022370851 727128884 /nfs/dbraw/zinc/12/88/84/727128884.db2.gz YZYTXSPYRUVZHQ-BETUJISGSA-N 2 0 270.336 1.371 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001072978101 727143902 /nfs/dbraw/zinc/14/39/02/727143902.db2.gz CGOHXZDFSFEJIJ-UHFFFAOYSA-N 2 0 291.439 1.439 20 30 CDEDRP C=C(C)CCN1CC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001030306334 727149365 /nfs/dbraw/zinc/14/93/65/727149365.db2.gz PCXZAAQDMSLLIJ-ZBFHGGJFSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001023123010 727151190 /nfs/dbraw/zinc/15/11/90/727151190.db2.gz NAHVPBJNQXNBQE-SYQHCUMBSA-N 2 0 299.846 1.849 20 30 CDEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1(C)C ZINC000996674749 727151958 /nfs/dbraw/zinc/15/19/58/727151958.db2.gz WFHBSUVSKWMTDL-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000985458685 727180427 /nfs/dbraw/zinc/18/04/27/727180427.db2.gz FKKPLBWFWOXBPB-MRXNPFEDSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015597571 727195646 /nfs/dbraw/zinc/19/56/46/727195646.db2.gz UTPDHPUSUAUYNB-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP CCOCCCNC(=[NH2+])NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000303895400 727257601 /nfs/dbraw/zinc/25/76/01/727257601.db2.gz PKYPLURQQUIEIA-HUUCEWRRSA-N 2 0 298.475 1.685 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032960633 727305362 /nfs/dbraw/zinc/30/53/62/727305362.db2.gz YBXMZIOSJWWITO-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001006084088 727316700 /nfs/dbraw/zinc/31/67/00/727316700.db2.gz MEKKJHXDKCAYJT-UHFFFAOYSA-N 2 0 293.455 1.827 20 30 CDEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)C1 ZINC000303895401 727362940 /nfs/dbraw/zinc/36/29/40/727362940.db2.gz PLIFBNWPGGJMNB-CHWSQXEVSA-N 2 0 252.406 1.375 20 30 CDEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681961 727369239 /nfs/dbraw/zinc/36/92/39/727369239.db2.gz RBYCRVNHMBVGDO-UKRRQHHQSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001020161542 727373309 /nfs/dbraw/zinc/37/33/09/727373309.db2.gz HAUVQSOYHOLNDE-IHRRRGAJSA-N 2 0 297.830 1.318 20 30 CDEDRP C=C(Cl)CN1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034524788 727375574 /nfs/dbraw/zinc/37/55/74/727375574.db2.gz HZEPIPQIAIINPB-KGLIPLIRSA-N 2 0 299.846 1.661 20 30 CDEDRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000923298287 727379859 /nfs/dbraw/zinc/37/98/59/727379859.db2.gz ACNKWHBHUYBOJF-GOEBONIOSA-N 2 0 291.395 1.261 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001000593339 727421039 /nfs/dbraw/zinc/42/10/39/727421039.db2.gz LNLMZZKXDYRJME-INIZCTEOSA-N 2 0 291.439 1.321 20 30 CDEDRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000923369743 727423698 /nfs/dbraw/zinc/42/36/98/727423698.db2.gz MECLGOMCTBQOMI-GJZGRUSLSA-N 2 0 273.380 1.569 20 30 CDEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)Cc2cncn2C)CC1 ZINC001052869167 727429571 /nfs/dbraw/zinc/42/95/71/727429571.db2.gz BXKCOGQIURLLNP-AWEZNQCLSA-N 2 0 290.411 1.509 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@H]21 ZINC001036736767 727435420 /nfs/dbraw/zinc/43/54/20/727435420.db2.gz GOVDOKKXZKTRLW-GDBMZVCRSA-N 2 0 291.439 1.580 20 30 CDEDRP CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C ZINC001039343353 727448988 /nfs/dbraw/zinc/44/89/88/727448988.db2.gz QTIIGOZWYJOJLY-OWCLPIDISA-N 2 0 289.423 1.169 20 30 CDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000876751726 727471060 /nfs/dbraw/zinc/47/10/60/727471060.db2.gz WMTSPJKHPOYGIM-RYUDHWBXSA-N 2 0 273.808 1.447 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001028537083 727475390 /nfs/dbraw/zinc/47/53/90/727475390.db2.gz HARUORFMJKFDMC-CVEARBPZSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001022955943 727484585 /nfs/dbraw/zinc/48/45/85/727484585.db2.gz KPUPHVNVGVYAHM-IYBDPMFKSA-N 2 0 291.439 1.531 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000998995053 727807438 /nfs/dbraw/zinc/80/74/38/727807438.db2.gz OOWHMORUOLKARD-RUXDESIVSA-N 2 0 265.401 1.236 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001019466079 727808788 /nfs/dbraw/zinc/80/87/88/727808788.db2.gz QIAIAVGUNHUPTP-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075619540 727815438 /nfs/dbraw/zinc/81/54/38/727815438.db2.gz HFUVFKHSDSHVHH-RRFJBIMHSA-N 2 0 277.412 1.189 20 30 CDEDRP CCCCCCNC(=[NH2+])NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000303898988 727818714 /nfs/dbraw/zinc/81/87/14/727818714.db2.gz VVWNRXJYVMNQOQ-HNNXBMFYSA-N 2 0 297.491 1.355 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC)CC2)CC1 ZINC001052954753 727830819 /nfs/dbraw/zinc/83/08/19/727830819.db2.gz RLDXCVJNWZKTAR-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001003512575 727831298 /nfs/dbraw/zinc/83/12/98/727831298.db2.gz FAAMWHGVEAFJKB-UHFFFAOYSA-N 2 0 291.395 1.721 20 30 CDEDRP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028028316 727876673 /nfs/dbraw/zinc/87/66/73/727876673.db2.gz DVSLRQAHFDFPPS-CQSZACIVSA-N 2 0 284.363 1.715 20 30 CDEDRP C#CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000925159370 727903567 /nfs/dbraw/zinc/90/35/67/727903567.db2.gz CNAADHTXFXVSGJ-GOOCMWNKSA-N 2 0 250.386 1.631 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001042215684 727942706 /nfs/dbraw/zinc/94/27/06/727942706.db2.gz FUPFZWQBWIYXNU-ZBFHGGJFSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001028637591 727955559 /nfs/dbraw/zinc/95/55/59/727955559.db2.gz YKQZCCVGMFMVRA-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001076465842 727984449 /nfs/dbraw/zinc/98/44/49/727984449.db2.gz XZJNLXZQEIYCEA-LSDHHAIUSA-N 2 0 289.423 1.191 20 30 CDEDRP C#CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000886581196 728085452 /nfs/dbraw/zinc/08/54/52/728085452.db2.gz MXDAZNYHIWECDD-GJZGRUSLSA-N 2 0 291.439 1.415 20 30 CDEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001050456768 728087206 /nfs/dbraw/zinc/08/72/06/728087206.db2.gz SPGQSUSMUHMRIQ-HNNXBMFYSA-N 2 0 289.423 1.028 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001038425219 728096212 /nfs/dbraw/zinc/09/62/12/728096212.db2.gz ZGYXHBMSYJWTTM-ZFWWWQNUSA-N 2 0 288.395 1.212 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032042871 728204801 /nfs/dbraw/zinc/20/48/01/728204801.db2.gz MTZRIGCKRZPVBH-HOTGVXAUSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000989561923 728209517 /nfs/dbraw/zinc/20/95/17/728209517.db2.gz KXYJPSOMFRQQSI-YOEHRIQHSA-N 2 0 299.418 1.574 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001022351303 728213630 /nfs/dbraw/zinc/21/36/30/728213630.db2.gz WOPVGVKWHMFYTJ-XHSDSOJGSA-N 2 0 293.455 1.920 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015387924 728217143 /nfs/dbraw/zinc/21/71/43/728217143.db2.gz NFJGWVLIZLBLNY-CABCVRRESA-N 2 0 277.412 1.237 20 30 CDEDRP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001054240162 728313454 /nfs/dbraw/zinc/31/34/54/728313454.db2.gz NRMDSURWPUJILU-WBVHZDCISA-N 2 0 291.439 1.439 20 30 CDEDRP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001045437479 728316275 /nfs/dbraw/zinc/31/62/75/728316275.db2.gz ADCDMQCXJHRDBC-HNNXBMFYSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CC ZINC001037973757 728337933 /nfs/dbraw/zinc/33/79/33/728337933.db2.gz BVXUJZNMNNFOJA-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050201171 728338356 /nfs/dbraw/zinc/33/83/56/728338356.db2.gz CISRAFRCBBFGLL-SOUVJXGZSA-N 2 0 277.412 1.047 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CN2CCCC2)[C@H]1C ZINC000994412338 728345162 /nfs/dbraw/zinc/34/51/62/728345162.db2.gz USRILVFSEDBGDK-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP N#Cc1ccc([C@@H](O)C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923516317 728378275 /nfs/dbraw/zinc/37/82/75/728378275.db2.gz YVKSELXHUJBKEL-XHSDSOJGSA-N 2 0 271.364 1.133 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001111028208 1166775031 /nfs/dbraw/zinc/77/50/31/1166775031.db2.gz NVJDGQQTSMFZFG-KFWWJZLASA-N 2 0 293.455 1.872 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001168441659 913166516 /nfs/dbraw/zinc/16/65/16/913166516.db2.gz IXLKCVSMAXXVEP-UHFFFAOYSA-N 2 0 287.407 1.481 20 30 CDEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174928892 913386179 /nfs/dbraw/zinc/38/61/79/913386179.db2.gz MLLZWMBYPITWFU-HNNXBMFYSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001106272331 913764601 /nfs/dbraw/zinc/76/46/01/913764601.db2.gz YBWIPKOAVCDLHD-OAGGEKHMSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001106272330 913764736 /nfs/dbraw/zinc/76/47/36/913764736.db2.gz YBWIPKOAVCDLHD-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1C ZINC001106274401 913767076 /nfs/dbraw/zinc/76/70/76/913767076.db2.gz IXUILTAZMRYGFS-AAVRWANBSA-N 2 0 288.395 1.383 20 30 CDEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176185073 913982445 /nfs/dbraw/zinc/98/24/45/913982445.db2.gz SIIOCCLCTHZCHI-HNNXBMFYSA-N 2 0 293.455 1.923 20 30 CDEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176185076 913984386 /nfs/dbraw/zinc/98/43/86/913984386.db2.gz SIIOCCLCTHZCHI-OAHLLOKOSA-N 2 0 293.455 1.923 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001023446419 897566172 /nfs/dbraw/zinc/56/61/72/897566172.db2.gz PIIKMHMJAZLWIP-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[N@@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703705 897764493 /nfs/dbraw/zinc/76/44/93/897764493.db2.gz SGBUEYFWSCLHTQ-AWEZNQCLSA-N 2 0 277.412 1.096 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884305 914341818 /nfs/dbraw/zinc/34/18/18/914341818.db2.gz AYZWBZHLQVJOEO-UHFFFAOYSA-N 2 0 281.444 1.925 20 30 CDEDRP C=CCOCC[NH2+]C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001203209338 899724146 /nfs/dbraw/zinc/72/41/46/899724146.db2.gz UKWYIMAWXSKJIX-UHFFFAOYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176997049 914424097 /nfs/dbraw/zinc/42/40/97/914424097.db2.gz GXOXXZKSUILOAQ-CQSZACIVSA-N 2 0 267.417 1.389 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176998526 914423339 /nfs/dbraw/zinc/42/33/39/914423339.db2.gz AQFRNOCBFZSVKB-HNNXBMFYSA-N 2 0 279.428 1.226 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028028407 901175849 /nfs/dbraw/zinc/17/58/49/901175849.db2.gz ADXRGZMWGNWZRG-OAHLLOKOSA-N 2 0 296.374 1.552 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001088011051 906125771 /nfs/dbraw/zinc/12/57/71/906125771.db2.gz WQFOELFNYNJMKY-OWCLPIDISA-N 2 0 291.439 1.130 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106143 906320372 /nfs/dbraw/zinc/32/03/72/906320372.db2.gz OFWJWUREKCRQIF-XHSDSOJGSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110147324 909988430 /nfs/dbraw/zinc/98/84/30/909988430.db2.gz WTASSNAMEWABGJ-PMPSAXMXSA-N 2 0 289.423 1.217 20 30 CDEDRP CCOC(=O)CC1([NH3+])CC[NH+]([C@@H](C)CCCC#N)CC1 ZINC001172492007 911727699 /nfs/dbraw/zinc/72/76/99/911727699.db2.gz POADWOKYUCYWJP-ZDUSSCGKSA-N 2 0 281.400 1.815 20 30 CDEDRP C[C@@H](CCCC#N)NC(=[NH2+])SCCSC(N)=[NH2+] ZINC001172490224 911727877 /nfs/dbraw/zinc/72/78/77/911727877.db2.gz XRVZSYZKUZWSBW-QMMMGPOBSA-N 2 0 273.431 1.953 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)C1([NH+](C)C)CCC1 ZINC001178687983 915566123 /nfs/dbraw/zinc/56/61/23/915566123.db2.gz ATFWQNPCULUQOM-UHFFFAOYSA-N 2 0 281.444 1.923 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)C1([NH+](C)C)CCC1 ZINC001178693620 915577405 /nfs/dbraw/zinc/57/74/05/915577405.db2.gz XWFBLAJTXSBWQT-UHFFFAOYSA-N 2 0 293.455 1.760 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001178902410 915681067 /nfs/dbraw/zinc/68/10/67/915681067.db2.gz PHLYOQFEQAVIBN-ZFWWWQNUSA-N 2 0 277.412 1.073 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001178902532 915682637 /nfs/dbraw/zinc/68/26/37/915682637.db2.gz VPHZJNAWUDAWDQ-ZFWWWQNUSA-N 2 0 277.412 1.073 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001179586932 915886696 /nfs/dbraw/zinc/88/66/96/915886696.db2.gz VRETZTKFJINMGO-INIZCTEOSA-N 2 0 293.455 1.618 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001179857087 916017895 /nfs/dbraw/zinc/01/78/95/916017895.db2.gz RJAIWXRTYJNMOC-STQMWFEESA-N 2 0 287.835 1.660 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001097779133 936374393 /nfs/dbraw/zinc/37/43/93/936374393.db2.gz HLTMIFMYDNJIRJ-OAGGEKHMSA-N 2 0 289.423 1.073 20 30 CDEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001097848688 936394616 /nfs/dbraw/zinc/39/46/16/936394616.db2.gz RPGNCMWLXVGZMF-FPCVCCKLSA-N 2 0 291.439 1.768 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001031921285 917348372 /nfs/dbraw/zinc/34/83/72/917348372.db2.gz MCNGAJPWQJAGIB-ZFWWWQNUSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C1CCC1 ZINC001032448738 919141307 /nfs/dbraw/zinc/14/13/07/919141307.db2.gz UYBPHVKFGNIXNO-GJZGRUSLSA-N 2 0 277.412 1.332 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001185032486 919390532 /nfs/dbraw/zinc/39/05/32/919390532.db2.gz ZDMBOHJFQRRFFP-HOTGVXAUSA-N 2 0 293.455 1.426 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001186356703 919992038 /nfs/dbraw/zinc/99/20/38/919992038.db2.gz YTIKTSBYBWHSRY-QGZVFWFLSA-N 2 0 299.418 1.576 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001205490743 921876896 /nfs/dbraw/zinc/87/68/96/921876896.db2.gz WOCVINKDGMULKG-INIZCTEOSA-N 2 0 293.455 1.424 20 30 CDEDRP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001190248244 921933578 /nfs/dbraw/zinc/93/35/78/921933578.db2.gz ZGELUVXRYJSLLK-OWCLPIDISA-N 2 0 291.439 1.273 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001190949408 922297792 /nfs/dbraw/zinc/29/77/92/922297792.db2.gz YZNVWURXWQTMIX-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684134 922716486 /nfs/dbraw/zinc/71/64/86/922716486.db2.gz OIGGDFFKQOSJDJ-OAHLLOKOSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001192907504 923316403 /nfs/dbraw/zinc/31/64/03/923316403.db2.gz WBKTYNUWYADNEK-MRXNPFEDSA-N 2 0 293.455 1.664 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2[nH]c(=O)nc2C[NH3+])cc1 ZINC001168762147 923414271 /nfs/dbraw/zinc/41/42/71/923414271.db2.gz FLPRXBFGEUPDFM-CQSZACIVSA-N 2 0 299.378 1.755 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001080782767 924630693 /nfs/dbraw/zinc/63/06/93/924630693.db2.gz AHWGSPDPZRPXTI-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001195893511 924752488 /nfs/dbraw/zinc/75/24/88/924752488.db2.gz HFWKZNRILCOROW-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102595971 937067883 /nfs/dbraw/zinc/06/78/83/937067883.db2.gz HHFPSRWJKNABLQ-HZPDHXFCSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102601075 937068080 /nfs/dbraw/zinc/06/80/80/937068080.db2.gz JFKPZEMCLZCUFT-HUUCEWRRSA-N 2 0 281.444 1.587 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102780911 937088245 /nfs/dbraw/zinc/08/82/45/937088245.db2.gz VCGIDLWAILOIJW-BZUAXINKSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001202303063 926525630 /nfs/dbraw/zinc/52/56/30/926525630.db2.gz YKCXEBOYCCHTMY-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001103140255 937124418 /nfs/dbraw/zinc/12/44/18/937124418.db2.gz URYFPIBAFOOKBI-BZUAXINKSA-N 2 0 295.471 1.977 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086413441 927095509 /nfs/dbraw/zinc/09/55/09/927095509.db2.gz IDGLBTCKOROOHZ-BZUAXINKSA-N 2 0 291.439 1.224 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001086418836 927105092 /nfs/dbraw/zinc/10/50/92/927105092.db2.gz OCBRHGHKRHFBIX-MQMHXKEQSA-N 2 0 282.347 1.066 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001161226711 937141559 /nfs/dbraw/zinc/14/15/59/937141559.db2.gz NGLYGIKWCJSIRC-UHFFFAOYSA-N 2 0 269.433 1.779 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001110684471 928205622 /nfs/dbraw/zinc/20/56/22/928205622.db2.gz LSHAHMZXAHWCBS-FPCVCCKLSA-N 2 0 291.439 1.768 20 30 CDEDRP C=CCC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001150626001 937240923 /nfs/dbraw/zinc/24/09/23/937240923.db2.gz RIYBGUDDUBMSEI-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]CC1CC[NH+](CCCC)CC1 ZINC001252490001 928722484 /nfs/dbraw/zinc/72/24/84/928722484.db2.gz BZRNXZYGBORCGI-MRXNPFEDSA-N 2 0 284.444 1.652 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340716 937354237 /nfs/dbraw/zinc/35/42/37/937354237.db2.gz VSCVSCGIUDBIGR-UHFFFAOYSA-N 2 0 267.417 1.534 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608247 929814734 /nfs/dbraw/zinc/81/47/34/929814734.db2.gz SSBICLTZABONAB-KBPBESRZSA-N 2 0 281.444 1.920 20 30 CDEDRP C=CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134759594 929887933 /nfs/dbraw/zinc/88/79/33/929887933.db2.gz UPFDDVIJDIRSOV-ZDUSSCGKSA-N 2 0 253.390 1.141 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134763439 929889271 /nfs/dbraw/zinc/88/92/71/929889271.db2.gz YOETZBUCOLPQDZ-CQSZACIVSA-N 2 0 267.417 1.531 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134891904 929947919 /nfs/dbraw/zinc/94/79/19/929947919.db2.gz IFQCLGJQDOUISA-KBPBESRZSA-N 2 0 298.390 1.844 20 30 CDEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170819297 930244443 /nfs/dbraw/zinc/24/44/43/930244443.db2.gz SSYABANMVJBJLT-GDBMZVCRSA-N 2 0 293.455 1.779 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614619 930297743 /nfs/dbraw/zinc/29/77/43/930297743.db2.gz XJOSGYJNMLKBDU-HUUCEWRRSA-N 2 0 293.455 1.615 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135743595 930393663 /nfs/dbraw/zinc/39/36/63/930393663.db2.gz MTAJNABNAFSXCB-CHWSQXEVSA-N 2 0 289.851 1.954 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860626 930480136 /nfs/dbraw/zinc/48/01/36/930480136.db2.gz FRIORMAUINZLBN-KBPBESRZSA-N 2 0 267.417 1.224 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135861685 930482080 /nfs/dbraw/zinc/48/20/80/930482080.db2.gz VNNJCGWFIGPLFS-ZIAGYGMSSA-N 2 0 269.433 1.777 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135935645 930549120 /nfs/dbraw/zinc/54/91/20/930549120.db2.gz VQENKHZFDMVAJK-QWHCGFSZSA-N 2 0 288.395 1.267 20 30 CDEDRP N#CCc1cc2ccccc2nc1N[C@H]([NH3+])CCC[NH3+] ZINC001170897310 930693446 /nfs/dbraw/zinc/69/34/46/930693446.db2.gz MHCWAUMQRKZMHH-AWEZNQCLSA-N 2 0 269.352 1.736 20 30 CDEDRP C[N@@H+](Cc1ccc(C#N)cn1)CC1CC[NH+](C)CC1 ZINC001144160142 931675760 /nfs/dbraw/zinc/67/57/60/931675760.db2.gz AEPWRGGJHPIALD-UHFFFAOYSA-N 2 0 258.369 1.727 20 30 CDEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001275633033 931919013 /nfs/dbraw/zinc/91/90/13/931919013.db2.gz UWYNXEUJLUYNIF-YMAMQOFZSA-N 2 0 279.428 1.319 20 30 CDEDRP C#CCCC[NH+]1CCC2(CC[N@@H+](COCCOC)C2)CC1 ZINC001275975424 932188751 /nfs/dbraw/zinc/18/87/51/932188751.db2.gz CDWTXWOIRRYMKO-UHFFFAOYSA-N 2 0 294.439 1.808 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146396585 932243709 /nfs/dbraw/zinc/24/37/09/932243709.db2.gz BEPMLSSLEBBRAU-HZPDHXFCSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146594858 932270386 /nfs/dbraw/zinc/27/03/86/932270386.db2.gz VQOUNNSAFUTSLA-CHWSQXEVSA-N 2 0 255.406 1.386 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001147466908 932511410 /nfs/dbraw/zinc/51/14/10/932511410.db2.gz ZAAYLLWTQPSASO-INIZCTEOSA-N 2 0 287.407 1.409 20 30 CDEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001156017238 937694714 /nfs/dbraw/zinc/69/47/14/937694714.db2.gz ZLXFVAMZCANNAM-CYBMUJFWSA-N 2 0 278.400 1.745 20 30 CDEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120129872 937782295 /nfs/dbraw/zinc/78/22/95/937782295.db2.gz PYGZMTRSZQJILR-HNNXBMFYSA-N 2 0 291.439 1.370 20 30 CDEDRP CC(C)[C@H](CNC(=[NH2+])N1CCSCC1)[NH+]1CCCC1 ZINC000303784846 935043794 /nfs/dbraw/zinc/04/37/94/935043794.db2.gz PTYORJVJMHGGJT-ZDUSSCGKSA-N 2 0 284.473 1.470 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001008314329 935401488 /nfs/dbraw/zinc/40/14/88/935401488.db2.gz NRWPQFKPFYLDTE-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)CC)C2)C1 ZINC001122022308 937900080 /nfs/dbraw/zinc/90/00/80/937900080.db2.gz HXGXGPKIJXWRFH-UHFFFAOYSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC001122065965 937902483 /nfs/dbraw/zinc/90/24/83/937902483.db2.gz IBNVLMZUTSERKK-QWHCGFSZSA-N 2 0 253.390 1.304 20 30 CDEDRP Cc1ccc(CC#N)c(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001157100022 938454365 /nfs/dbraw/zinc/45/43/65/938454365.db2.gz WNRFKNHLMAECNL-UHFFFAOYSA-N 2 0 260.345 1.131 20 30 CDEDRP CC1(Nc2ncc3c(c2C#N)CCC[NH2+]C3)CC[NH2+]CC1 ZINC001157396662 938486043 /nfs/dbraw/zinc/48/60/43/938486043.db2.gz CWIIEXXIHKGMSP-UHFFFAOYSA-N 2 0 285.395 1.543 20 30 CDEDRP CCC1(Nc2ncc3c(c2C#N)CCC[NH2+]C3)C[NH2+]C1 ZINC001157777194 938544635 /nfs/dbraw/zinc/54/46/35/938544635.db2.gz KBBTWOOZOPBDNN-UHFFFAOYSA-N 2 0 271.368 1.153 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157886518 938557505 /nfs/dbraw/zinc/55/75/05/938557505.db2.gz ILXNLMQLYURQFN-HNNXBMFYSA-N 2 0 281.444 1.921 20 30 CDEDRP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001158714109 938655173 /nfs/dbraw/zinc/65/51/73/938655173.db2.gz HZQDUIHDLHYNSZ-MRXNPFEDSA-N 2 0 293.455 1.664 20 30 CDEDRP N#Cc1cc(Cl)ncc1C(F)(F)N[C@H]([NH3+])CCC[NH3+] ZINC001159787201 938753231 /nfs/dbraw/zinc/75/32/31/938753231.db2.gz TXCJDZMKVDRCFH-JTQLQIEISA-N 2 0 289.717 1.269 20 30 CDEDRP CC(C)([NH3+])CNc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001160026732 938764966 /nfs/dbraw/zinc/76/49/66/938764966.db2.gz YXIOMRZPYGEYJL-UHFFFAOYSA-N 2 0 259.357 1.138 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001161649301 938916910 /nfs/dbraw/zinc/91/69/10/938916910.db2.gz BQTBZKICBLAPJV-AWEZNQCLSA-N 2 0 267.417 1.389 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001162321966 939023058 /nfs/dbraw/zinc/02/30/58/939023058.db2.gz FWCOMTRKTOBFLB-UHFFFAOYSA-N 2 0 297.362 1.000 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001165569063 939570856 /nfs/dbraw/zinc/57/08/56/939570856.db2.gz QSTGAFBCMPTRRO-HNNXBMFYSA-N 2 0 293.455 1.923 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001165776812 939577235 /nfs/dbraw/zinc/57/72/35/939577235.db2.gz ULHZHZIJFMKBJY-OAHLLOKOSA-N 2 0 293.455 1.923 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001166842558 939643596 /nfs/dbraw/zinc/64/35/96/939643596.db2.gz MTALZWSZGLMEEG-GJZGRUSLSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CCN(CC[N@@H+]1CCC[C@H]([NH3+])CC1)C(=O)OCC ZINC001205093726 939821346 /nfs/dbraw/zinc/82/13/46/939821346.db2.gz FIUSRAPKVKDKEP-ZDUSSCGKSA-N 2 0 269.389 1.444 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205241328 939840827 /nfs/dbraw/zinc/84/08/27/939840827.db2.gz AKGPCCAESCOLGG-MRXNPFEDSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001205561854 939903087 /nfs/dbraw/zinc/90/30/87/939903087.db2.gz LVUICMKTDQVYNU-UHFFFAOYSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001206274638 940010622 /nfs/dbraw/zinc/01/06/22/940010622.db2.gz KVGSFEGDSLVLKM-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCCCCC[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001209423535 940589069 /nfs/dbraw/zinc/58/90/69/940589069.db2.gz RODZOUPOLHEEAZ-UHFFFAOYSA-N 2 0 253.434 1.912 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001209588315 940613909 /nfs/dbraw/zinc/61/39/09/940613909.db2.gz GOTXQQOPIJKZSV-HUUCEWRRSA-N 2 0 279.428 1.321 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001209614461 940617255 /nfs/dbraw/zinc/61/72/55/940617255.db2.gz PLKOEJMYISMXFV-HZPDHXFCSA-N 2 0 293.455 1.711 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211065347 940728446 /nfs/dbraw/zinc/72/84/46/940728446.db2.gz VBIHKOKDIIPSNE-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C[NH+]=C(NCCC1CC[NH+](C)CC1)NC(C)(C)C ZINC000303469020 940833907 /nfs/dbraw/zinc/83/39/07/940833907.db2.gz HELCLWPRODBIMT-UHFFFAOYSA-N 2 0 254.422 1.682 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215540839 940892916 /nfs/dbraw/zinc/89/29/16/940892916.db2.gz RJQFUFMPRNLXKJ-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP CCCCCCC[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491965 941602225 /nfs/dbraw/zinc/60/22/25/941602225.db2.gz LLLHOUFGDYOZQC-GJZGRUSLSA-N 2 0 253.434 1.983 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001223507427 941682901 /nfs/dbraw/zinc/68/29/01/941682901.db2.gz RYRDYKIMDHVMOL-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001224537570 941766513 /nfs/dbraw/zinc/76/65/13/941766513.db2.gz RTDQXTVPHSLUBB-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001229876976 942547074 /nfs/dbraw/zinc/54/70/74/942547074.db2.gz HMCJSWDAEDNMEL-HUUCEWRRSA-N 2 0 281.444 1.921 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001277979694 944423683 /nfs/dbraw/zinc/42/36/83/944423683.db2.gz ACPUFFGQVXQKJY-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1C(=O)N(O)C[C@@H]1C ZINC001258903277 945444476 /nfs/dbraw/zinc/44/44/76/945444476.db2.gz OVHMGPNCENISQG-XQQFMLRXSA-N 2 0 271.405 1.323 20 30 CDEDRP C[NH+](C)CCCN1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254670916 947586555 /nfs/dbraw/zinc/58/65/55/947586555.db2.gz NGOJFUPDPHYVEG-CABCVRRESA-N 2 0 264.417 1.248 20 30 CDEDRP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246560755 948276323 /nfs/dbraw/zinc/27/63/23/948276323.db2.gz PLFDQQIBTQHOLX-PBHICJAKSA-N 2 0 287.407 1.665 20 30 CDEDRP C=C(C)C(=O)NCCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001257205125 948543404 /nfs/dbraw/zinc/54/34/04/948543404.db2.gz GETVRFJLOIZGNC-UHFFFAOYSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCC[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001252599125 951492654 /nfs/dbraw/zinc/49/26/54/951492654.db2.gz XOUPEQQMWBYCMC-HRCADAONSA-N 2 0 281.444 1.024 20 30 CDEDRP C=CCC[C@@H](O)CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001252603115 951496236 /nfs/dbraw/zinc/49/62/36/951496236.db2.gz LTDNXFUVDPLPEP-MRXNPFEDSA-N 2 0 285.476 1.519 20 30 CDEDRP C=C[C@H](O)C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001253606509 951991698 /nfs/dbraw/zinc/99/16/98/951991698.db2.gz ISKLPLCNJIREHV-HNNXBMFYSA-N 2 0 268.401 1.014 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001327145730 954735352 /nfs/dbraw/zinc/73/53/52/954735352.db2.gz GIYQAMNUCJSBPY-JKSUJKDBSA-N 2 0 293.455 1.567 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001436400804 962236872 /nfs/dbraw/zinc/23/68/72/962236872.db2.gz QPNQXUGIMPJPQW-JOCQHMNTSA-N 2 0 287.835 1.565 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)CC(C)(C)C[NH3+])CC1 ZINC001340854304 963156719 /nfs/dbraw/zinc/15/67/19/963156719.db2.gz QWUDFSLVBPJQMS-UHFFFAOYSA-N 2 0 253.390 1.128 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001439256874 963691452 /nfs/dbraw/zinc/69/14/52/963691452.db2.gz WWQAWFHACANDFX-LBPRGKRZSA-N 2 0 289.851 1.811 20 30 CDEDRP C=C(CC)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC001346387262 965076215 /nfs/dbraw/zinc/07/62/15/965076215.db2.gz QUVXCGFVOCKTNW-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001449021312 967337368 /nfs/dbraw/zinc/33/73/68/967337368.db2.gz KMNACCXRNWEHPW-QWHCGFSZSA-N 2 0 299.846 1.660 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001449399380 967452840 /nfs/dbraw/zinc/45/28/40/967452840.db2.gz GQIPKEAZLATLPX-UHFFFAOYSA-N 2 0 287.835 1.660 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001480474921 967957933 /nfs/dbraw/zinc/95/79/33/967957933.db2.gz MPVYHVFDVPPYNE-LLVKDONJSA-N 2 0 273.808 1.318 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001100335272 968045607 /nfs/dbraw/zinc/04/56/07/968045607.db2.gz RKRXRSSDUKUGGI-UHFFFAOYSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200644453 968687760 /nfs/dbraw/zinc/68/77/60/968687760.db2.gz MHGZPDPODBHKBH-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001200839779 969000501 /nfs/dbraw/zinc/00/05/01/969000501.db2.gz HEHNPBJPXZTWFT-OAHLLOKOSA-N 2 0 297.418 1.270 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001357363082 969575959 /nfs/dbraw/zinc/57/59/59/969575959.db2.gz VWOVGOGJTFSGCH-OCCSQVGLSA-N 2 0 265.401 1.271 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC001357661265 969638578 /nfs/dbraw/zinc/63/85/78/969638578.db2.gz VQIWTASNWYTOIP-KBPBESRZSA-N 2 0 279.428 1.661 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001377032445 974861517 /nfs/dbraw/zinc/86/15/17/974861517.db2.gz BQOGUZORHSXUPY-GFCCVEGCSA-N 2 0 287.835 1.708 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001388724807 975568033 /nfs/dbraw/zinc/56/80/33/975568033.db2.gz ZGORYXSSQRMSDV-JHJVBQTASA-N 2 0 287.835 1.564 20 30 CDEDRP C#CC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132433893 1163287491 /nfs/dbraw/zinc/28/74/91/1163287491.db2.gz RNLAOBDIJLCXBE-HUUCEWRRSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001674441427 1173947971 /nfs/dbraw/zinc/94/79/71/1173947971.db2.gz ZEVKKDGHPLCLRP-LSDHHAIUSA-N 2 0 279.428 1.580 20 30 CDEDRP C[NH+](C)CC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C(C)(C)C ZINC000594437094 342898326 /nfs/dbraw/zinc/89/83/26/342898326.db2.gz HWVIKNSRUIFAFH-UONOGXRCSA-N 2 0 296.459 1.880 20 30 CDEDRP C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1CC[NH+](C)CC1 ZINC000598720921 343883734 /nfs/dbraw/zinc/88/37/34/343883734.db2.gz QXZFYXDEFJIWHI-OCCSQVGLSA-N 2 0 267.417 1.607 20 30 CDEDRP C[C@@H](CCC#N)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000602656742 344518570 /nfs/dbraw/zinc/51/85/70/344518570.db2.gz MHTWAMSFMZEDFJ-HNNXBMFYSA-N 2 0 266.433 1.496 20 30 CDEDRP N#CCN1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000610812703 346443805 /nfs/dbraw/zinc/44/38/05/346443805.db2.gz JWKIMLJKDYJSLS-UHFFFAOYSA-N 2 0 276.428 1.438 20 30 CDEDRP N#Cc1cccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000584842653 346454290 /nfs/dbraw/zinc/45/42/90/346454290.db2.gz BPPZPBCDHFGQNH-INIZCTEOSA-N 2 0 296.378 1.446 20 30 CDEDRP CN1CC[C@](O)(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000613040956 347381298 /nfs/dbraw/zinc/38/12/98/347381298.db2.gz MKZOTTZCJUFCIS-SJORKVTESA-N 2 0 285.391 1.592 20 30 CDEDRP C[C@H]1C[NH+](CCCNC(=[NH2+])Nc2ccccc2)C[C@H](C)O1 ZINC000264072094 362958212 /nfs/dbraw/zinc/95/82/12/362958212.db2.gz GKSJRVMLLCNHOJ-KBPBESRZSA-N 2 0 290.411 1.913 20 30 CDEDRP CC[NH+](CC)CCOc1ccccc1CNC(=[NH2+])NC ZINC000264074755 362959544 /nfs/dbraw/zinc/95/95/44/362959544.db2.gz FJQSKJKARBZGJK-UHFFFAOYSA-N 2 0 278.400 1.441 20 30 CDEDRP CC[C@H](C)NC(=[NH2+])NCc1ccccc1OCC[NH+](C)C ZINC000264123705 362973718 /nfs/dbraw/zinc/97/37/18/362973718.db2.gz VRAARCYPFFBBKD-ZDUSSCGKSA-N 2 0 292.427 1.830 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCC[NH2+]1)C(C)C ZINC000236687686 358798680 /nfs/dbraw/zinc/79/86/80/358798680.db2.gz YIMBMCMBRQTKJC-HUUCEWRRSA-N 2 0 279.428 1.553 20 30 CDEDRP C=CCOCCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000348029145 359777189 /nfs/dbraw/zinc/77/71/89/359777189.db2.gz HJAZDKSREMJVOW-OAHLLOKOSA-N 2 0 252.402 1.997 20 30 CDEDRP C=CCN1CC[C@H](N(C)C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000337188314 360031460 /nfs/dbraw/zinc/03/14/60/360031460.db2.gz QGVJHXLYTABSLY-KBPBESRZSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000247298490 361052237 /nfs/dbraw/zinc/05/22/37/361052237.db2.gz HSGSZCIMELVRMW-GJZGRUSLSA-N 2 0 254.418 1.977 20 30 CDEDRP C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)N1CC[NH+](C)CC1 ZINC000181703487 189304842 /nfs/dbraw/zinc/30/48/42/189304842.db2.gz YJUPLRCTEBEDCN-GJZGRUSLSA-N 2 0 286.423 1.845 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001580049220 1172333467 /nfs/dbraw/zinc/33/34/67/1172333467.db2.gz LFWBNMUHFDXFKB-GFCCVEGCSA-N 2 0 257.297 1.294 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=[NH2+])NC1CCCCC1 ZINC000328313310 368105802 /nfs/dbraw/zinc/10/58/02/368105802.db2.gz XINYLUNAACQBNR-UHFFFAOYSA-N 2 0 250.390 1.388 20 30 CDEDRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000181721178 296147079 /nfs/dbraw/zinc/14/70/79/296147079.db2.gz IHJWMNOZYXLPJV-LSDHHAIUSA-N 2 0 286.423 1.845 20 30 CDEDRP C=CCC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247414698 377113652 /nfs/dbraw/zinc/11/36/52/377113652.db2.gz MULDEDLBFICRLY-GJZGRUSLSA-N 2 0 254.418 1.977 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000563809270 378176519 /nfs/dbraw/zinc/17/65/19/378176519.db2.gz UTYGHPHYZXNLHW-QWHCGFSZSA-N 2 0 282.432 1.452 20 30 CDEDRP C#Cc1ccc(C[NH2+]CCCN2CC[NH+](CC)CC2)cc1 ZINC000290453900 378397085 /nfs/dbraw/zinc/39/70/85/378397085.db2.gz TUHYVSNLPHCMNZ-UHFFFAOYSA-N 2 0 285.435 1.785 20 30 CDEDRP C=CCOCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000339053321 391247480 /nfs/dbraw/zinc/24/74/80/391247480.db2.gz BMTUYSQXGLCHFI-UHFFFAOYSA-N 2 0 269.433 1.147 20 30 CDEDRP C[C@H]1C[NH+]=C(NCCc2ccc(OCC[NH+](C)C)cc2)N1 ZINC000262690082 391813553 /nfs/dbraw/zinc/81/35/53/391813553.db2.gz ZYPGDUBOQREOJX-ZDUSSCGKSA-N 2 0 290.411 1.107 20 30 CDEDRP C=CC[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000662299875 414625807 /nfs/dbraw/zinc/62/58/07/414625807.db2.gz YUSVWFHTUKOLJN-AWEZNQCLSA-N 2 0 265.401 1.096 20 30 CDEDRP C=CCCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414705114 263033449 /nfs/dbraw/zinc/03/34/49/263033449.db2.gz NOGDSQAFTWMZPD-HNNXBMFYSA-N 2 0 281.444 1.862 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCCC[N@@H+]2CCc3ccccc3C2)N1 ZINC000284986712 263088843 /nfs/dbraw/zinc/08/88/43/263088843.db2.gz HBOAOZDNAMOHFQ-CYBMUJFWSA-N 2 0 272.396 1.372 20 30 CDEDRP CC[NH+]=C(NC[C@](C)(O)CC)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000127817821 264265341 /nfs/dbraw/zinc/26/53/41/264265341.db2.gz GNFSLTBAGNJEKV-GOEBONIOSA-N 2 0 294.443 1.059 20 30 CDEDRP C=CC[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000661384375 424292693 /nfs/dbraw/zinc/29/26/93/424292693.db2.gz INKLJSFKTBJPLQ-LSDHHAIUSA-N 2 0 254.418 1.976 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(C#N)cc1F ZINC000576074508 317069054 /nfs/dbraw/zinc/06/90/54/317069054.db2.gz IQLDKGAHRUNORD-UHFFFAOYSA-N 2 0 292.402 1.623 20 30 CDEDRP C[NH+]=C(NCc1ccn(C)c1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262018980 328143756 /nfs/dbraw/zinc/14/37/56/328143756.db2.gz YJWZCUAQYLFNEM-DOMZBBRYSA-N 2 0 289.427 1.173 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001673379994 1173850968 /nfs/dbraw/zinc/85/09/68/1173850968.db2.gz GIYQAMNUCJSBPY-CVEARBPZSA-N 2 0 293.455 1.567 20 30 CDEDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[C@H](C#N)C3)cn2)CC1 ZINC000559075224 327140199 /nfs/dbraw/zinc/14/01/99/327140199.db2.gz ADDCULGZCOUDBW-HOCLYGCPSA-N 2 0 299.422 1.615 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+](C)[C@@H](C)CC)CC1 ZINC000171732644 329079538 /nfs/dbraw/zinc/07/95/38/329079538.db2.gz RCEBGIKYQINUIK-AWEZNQCLSA-N 2 0 296.459 1.666 20 30 CDEDRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000262436261 330012840 /nfs/dbraw/zinc/01/28/40/330012840.db2.gz TVNIFDOKSGPTFV-GFCCVEGCSA-N 2 0 254.422 1.667 20 30 CDEDRP CN1CCC[NH+]=C1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000263209739 330049413 /nfs/dbraw/zinc/04/94/13/330049413.db2.gz YVHVLTZTYYEVKB-CYBMUJFWSA-N 2 0 250.390 1.284 20 30 CDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423014153 330165502 /nfs/dbraw/zinc/16/55/02/330165502.db2.gz HLQNLDMMVKIAAJ-ZQDZILKHSA-N 2 0 252.402 1.681 20 30 CDEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424137722 330274907 /nfs/dbraw/zinc/27/49/07/330274907.db2.gz SLFAGGZTKKLQCU-KFWWJZLASA-N 2 0 294.443 1.492 20 30 CDEDRP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)c1cccs1 ZINC000424139604 330279827 /nfs/dbraw/zinc/27/98/27/330279827.db2.gz RLXQYMJVYRSZBC-NWDGAFQWSA-N 2 0 294.424 1.488 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000424148058 330294953 /nfs/dbraw/zinc/29/49/53/330294953.db2.gz SZBSKDYCCUDKOB-LSDHHAIUSA-N 2 0 292.427 1.388 20 30 CDEDRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424209764 330328184 /nfs/dbraw/zinc/32/81/84/330328184.db2.gz ZQEHLULWJGXQRA-CABCVRRESA-N 2 0 288.395 1.386 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=[NH2+])Nc1cccc(C)c1 ZINC000491771475 332338027 /nfs/dbraw/zinc/33/80/27/332338027.db2.gz RRDMHOILBSUFRM-UHFFFAOYSA-N 2 0 258.369 1.886 20 30 CDEDRP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248022330 334293614 /nfs/dbraw/zinc/29/36/14/334293614.db2.gz NYVJDKSLRNHIJQ-HUUCEWRRSA-N 2 0 292.427 1.165 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]([NH3+])[C@@H](CC)C2)CC1 ZINC000669465245 483172798 /nfs/dbraw/zinc/17/27/98/483172798.db2.gz DGRGJIQKJSGHGU-ZFWWWQNUSA-N 2 0 294.443 1.406 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105946496 1161008496 /nfs/dbraw/zinc/00/84/96/1161008496.db2.gz VWNYMRNATOPFGA-OAGGEKHMSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001753073623 1185040415 /nfs/dbraw/zinc/04/04/15/1185040415.db2.gz GFSHXRJBAKVLLU-KBPBESRZSA-N 2 0 267.417 1.341 20 30 CDEDRP COc1cc(C[NH2+]CCOCC[NH+](C)C)ccc1C#N ZINC000234842641 536798799 /nfs/dbraw/zinc/79/87/99/536798799.db2.gz QWANXUXTIJZRCG-UHFFFAOYSA-N 2 0 277.368 1.235 20 30 CDEDRP C=CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)C ZINC000733995686 575150881 /nfs/dbraw/zinc/15/08/81/575150881.db2.gz MEEAGANWESKLPC-UHFFFAOYSA-N 2 0 281.444 1.872 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000764506477 575917118 /nfs/dbraw/zinc/91/71/18/575917118.db2.gz HWBZEMBHQCETPN-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C(C[NH+]1CCCCC1)NN=C1CC[N@@H+]2CCC[C@@H]12 ZINC000765573538 576038967 /nfs/dbraw/zinc/03/89/67/576038967.db2.gz LNKNCNIYOGKCBL-AWEZNQCLSA-N 2 0 250.390 1.286 20 30 CDEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000969648138 612996909 /nfs/dbraw/zinc/99/69/09/612996909.db2.gz JJWMVSJGJLSZPA-GOEBONIOSA-N 2 0 291.439 1.319 20 30 CDEDRP C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942555461 613221953 /nfs/dbraw/zinc/22/19/53/613221953.db2.gz KMIFEOKCUBLWSA-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000970799426 613348820 /nfs/dbraw/zinc/34/88/20/613348820.db2.gz CATWFUXYUQMLEH-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000970177858 613384552 /nfs/dbraw/zinc/38/45/52/613384552.db2.gz JAYYRMNXFRORNY-CQSZACIVSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000981666583 613489341 /nfs/dbraw/zinc/48/93/41/613489341.db2.gz WVSHIXFAANYEGD-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000971678500 613616381 /nfs/dbraw/zinc/61/63/81/613616381.db2.gz NAIJJWBPYIGSKO-KGLIPLIRSA-N 2 0 265.401 1.045 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971792971 613618172 /nfs/dbraw/zinc/61/81/72/613618172.db2.gz AGNVCAJDPZOIEB-ZIAGYGMSSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000972353870 613632615 /nfs/dbraw/zinc/63/26/15/613632615.db2.gz JCBNHLYEKBWEGH-STQMWFEESA-N 2 0 253.390 1.045 20 30 CDEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000970928881 613662320 /nfs/dbraw/zinc/66/23/20/613662320.db2.gz NMUULFKIMFGTCK-HIFRSBDPSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549910 613767266 /nfs/dbraw/zinc/76/72/66/613767266.db2.gz ZRKOGOWXDAZQIW-KBPBESRZSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC000960287399 613837704 /nfs/dbraw/zinc/83/77/04/613837704.db2.gz HBECFSZZWANQDK-AIANPOQGSA-N 2 0 291.439 1.482 20 30 CDEDRP COc1ccc(NC(=[NH2+])NC[C@H](C2CC2)[NH+](C)C)cc1 ZINC000104175740 618043454 /nfs/dbraw/zinc/04/34/54/618043454.db2.gz UNIIAZKQXDXUFB-CQSZACIVSA-N 2 0 276.384 1.762 20 30 CDEDRP C=CC1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903728654 626067012 /nfs/dbraw/zinc/06/70/12/626067012.db2.gz DCKZHCIZXFQAFS-GJZGRUSLSA-N 2 0 250.386 1.653 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)C1CCC([NH3+])CC1 ZINC000911865512 629577169 /nfs/dbraw/zinc/57/71/69/629577169.db2.gz RUJQPZUGTXAMDS-WXRRBKDZSA-N 2 0 253.390 1.398 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430143 1162473822 /nfs/dbraw/zinc/47/38/22/1162473822.db2.gz PDJCWTKZIRMNDC-CQSZACIVSA-N 2 0 299.846 1.852 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129842143 1162499730 /nfs/dbraw/zinc/49/97/30/1162499730.db2.gz UUEABZOHMDAUMX-ZDUSSCGKSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001113677698 1162252574 /nfs/dbraw/zinc/25/25/74/1162252574.db2.gz JKLZTPBNQWDVCK-UHFFFAOYSA-N 2 0 293.455 1.973 20 30 CDEDRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC#Cc2ccccc2)CC1 ZINC001132993222 1163531397 /nfs/dbraw/zinc/53/13/97/1163531397.db2.gz OMYBWCKPOUOHQF-UHFFFAOYSA-N 2 0 299.418 1.086 20 30 CDEDRP C=CCC[C@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001252617911 1164689706 /nfs/dbraw/zinc/68/97/06/1164689706.db2.gz ACCINGDMTKDCGM-HNNXBMFYSA-N 2 0 252.402 1.778 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001202526437 1164983331 /nfs/dbraw/zinc/98/33/31/1164983331.db2.gz HMSQMKDZFBNWPM-UHFFFAOYSA-N 2 0 281.444 1.731 20 30 CDEDRP CC#CC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC001574962798 1171064751 /nfs/dbraw/zinc/06/47/51/1171064751.db2.gz OOUKZGAVCVQISD-GJZGRUSLSA-N 2 0 277.412 1.204 20 30 CDEDRP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC001579139079 1172103783 /nfs/dbraw/zinc/10/37/83/1172103783.db2.gz KQSAFICVFVORJO-ZDUSSCGKSA-N 2 0 289.379 1.616 20 30 CDEDRP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001724237822 1181656447 /nfs/dbraw/zinc/65/64/47/1181656447.db2.gz NNXNGEUGZNUKSJ-UKRRQHHQSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001753474010 1184653705 /nfs/dbraw/zinc/65/37/05/1184653705.db2.gz QSRUXURAGCVMFS-MELADBBJSA-N 2 0 267.417 1.387 20 30 CDEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001752775770 1184909699 /nfs/dbraw/zinc/90/96/99/1184909699.db2.gz VQCHOYJWPBJLNB-TUVASFSCSA-N 2 0 277.412 1.119 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001752788887 1184913835 /nfs/dbraw/zinc/91/38/35/1184913835.db2.gz SWFOWCJKIVFASV-HNNXBMFYSA-N 2 0 281.444 1.733 20 30 CDEDRP C#CC[NH+]1CCCC[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001752824890 1184924717 /nfs/dbraw/zinc/92/47/17/1184924717.db2.gz GOSFBKNYQRMCCO-OAHLLOKOSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001752840134 1184928526 /nfs/dbraw/zinc/92/85/26/1184928526.db2.gz HACKNYLGOOMDQI-GJZGRUSLSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CC[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001752901436 1184957137 /nfs/dbraw/zinc/95/71/37/1184957137.db2.gz QLCGVWLJZMLWGR-SWLSCSKDSA-N 2 0 285.407 1.479 20 30 CDEDRP C=CCC[NH2+][C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001752902372 1184957372 /nfs/dbraw/zinc/95/73/72/1184957372.db2.gz ZVSPZELXKJENFG-CYBMUJFWSA-N 2 0 269.433 1.635 20 30 CDEDRP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001753073624 1185040830 /nfs/dbraw/zinc/04/08/30/1185040830.db2.gz GFSHXRJBAKVLLU-KGLIPLIRSA-N 2 0 267.417 1.341 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001753332975 1185159728 /nfs/dbraw/zinc/15/97/28/1185159728.db2.gz ZKYNFTKJLOEYGU-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001753412255 1185193886 /nfs/dbraw/zinc/19/38/86/1185193886.db2.gz DREPHZDYDYLTQX-UHFFFAOYSA-N 2 0 279.428 1.342 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001753726264 1185318305 /nfs/dbraw/zinc/31/83/05/1185318305.db2.gz IIEFDDXMDDHXOL-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001753742436 1185325905 /nfs/dbraw/zinc/32/59/05/1185325905.db2.gz SBKMKVYJGXUEBM-HZPDHXFCSA-N 2 0 293.455 1.472 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)CCC ZINC001753897594 1185385623 /nfs/dbraw/zinc/38/56/23/1185385623.db2.gz LTRMSSZQDXDRFV-KGLIPLIRSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CC[NH2+]C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001754246156 1185527791 /nfs/dbraw/zinc/52/77/91/1185527791.db2.gz ZTUPQPCTJABPSR-CYBMUJFWSA-N 2 0 273.380 1.089 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001754494627 1185642015 /nfs/dbraw/zinc/64/20/15/1185642015.db2.gz VZJJVHCRWADEMP-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001754506284 1185647577 /nfs/dbraw/zinc/64/75/77/1185647577.db2.gz ZNCICCRIGIGAQI-AWEZNQCLSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H](C)C1 ZINC001754604580 1185679484 /nfs/dbraw/zinc/67/94/84/1185679484.db2.gz PLIZMPJRHTVICT-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CC)CC1 ZINC001754635059 1185690440 /nfs/dbraw/zinc/69/04/40/1185690440.db2.gz GWFYFNJYZWKJJR-HNNXBMFYSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001754940789 1185767822 /nfs/dbraw/zinc/76/78/22/1185767822.db2.gz WUGMONCRUCADIM-OAHLLOKOSA-N 2 0 279.428 1.180 20 30 CDEDRP C=CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001755216357 1185859373 /nfs/dbraw/zinc/85/93/73/1185859373.db2.gz WKOQFIYROYUFAR-PCKAHOCUSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001755662726 1186028236 /nfs/dbraw/zinc/02/82/36/1186028236.db2.gz GCXWBTRKESRZRO-CABCVRRESA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000987121988 729340391 /nfs/dbraw/zinc/34/03/91/729340391.db2.gz BESVCXPTUJZFRR-HIFRSBDPSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001114353808 1164501005 /nfs/dbraw/zinc/50/10/05/1164501005.db2.gz ZOZZILAVZNCBBD-LJISPDSOSA-N 2 0 297.418 1.289 20 30 CDEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000261873998 728855159 /nfs/dbraw/zinc/85/51/59/728855159.db2.gz PJFNRKXIAOQNAT-CQSZACIVSA-N 2 0 282.432 1.190 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001019067803 728860355 /nfs/dbraw/zinc/86/03/55/728860355.db2.gz ODOORPXDGNCBPK-AWEZNQCLSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031766208 728865959 /nfs/dbraw/zinc/86/59/59/728865959.db2.gz CMWDKCXUHOPLDQ-HZPDHXFCSA-N 2 0 289.423 1.075 20 30 CDEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000834494955 728873608 /nfs/dbraw/zinc/87/36/08/728873608.db2.gz RJMRMEXASGRXCE-RBSFLKMASA-N 2 0 292.427 1.292 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033414598 728890346 /nfs/dbraw/zinc/89/03/46/728890346.db2.gz CUTBAFIYOPXUBR-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP CN1CCC[NH+]=C1NCCC[N@H+](C)Cc1ccccc1 ZINC000386337204 728446498 /nfs/dbraw/zinc/44/64/98/728446498.db2.gz WKODKJQUTCKFMT-UHFFFAOYSA-N 2 0 274.412 1.790 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046487129 728525796 /nfs/dbraw/zinc/52/57/96/728525796.db2.gz OWCYAGFBXUOWQO-QGZVFWFLSA-N 2 0 296.374 1.552 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3ccnc3)CC[C@H]21 ZINC001036909262 728534750 /nfs/dbraw/zinc/53/47/50/728534750.db2.gz BPKCLJUQBOUSGB-LSDHHAIUSA-N 2 0 288.395 1.382 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001052386320 728586857 /nfs/dbraw/zinc/58/68/57/728586857.db2.gz MZJIYYXXXRCFLF-JKSUJKDBSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577983 728588948 /nfs/dbraw/zinc/58/89/48/728588948.db2.gz ZHIOMDHLDIHGGV-OAHLLOKOSA-N 2 0 291.439 1.274 20 30 CDEDRP CC(C)CCCNC(=[NH2+])NCCCN1CCOCC1 ZINC000303884224 728967462 /nfs/dbraw/zinc/96/74/62/728967462.db2.gz JAOUDLHPUNINEO-UHFFFAOYSA-N 2 0 270.421 1.049 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC000989795973 729019076 /nfs/dbraw/zinc/01/90/76/729019076.db2.gz FLYCOTRUDVATRY-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP [NH2+]=C(NCCCCC[NH+]1CCCCC1)N1CCOCC1 ZINC000304765740 729025838 /nfs/dbraw/zinc/02/58/38/729025838.db2.gz ZQVWGAURXHPVLS-UHFFFAOYSA-N 2 0 282.432 1.290 20 30 CDEDRP C#C[C@@H](C)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000820427932 729029149 /nfs/dbraw/zinc/02/91/49/729029149.db2.gz MIWYESYGQRJZAB-CABCVRRESA-N 2 0 294.443 1.066 20 30 CDEDRP CCC(CC)[C@@H](CNC(=[NH2+])N[C@@H](C)COC)[NH+](C)C ZINC000303778940 729030105 /nfs/dbraw/zinc/03/01/05/729030105.db2.gz KDHQIHXNHUGXJT-WCQYABFASA-N 2 0 272.437 1.292 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027653361 729069083 /nfs/dbraw/zinc/06/90/83/729069083.db2.gz YOZYSFRCVAHPQE-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP CC(C)[C@@H](CNC(=[NH2+])NCC1CCC1)[NH+]1CCCC1 ZINC000303792356 729083272 /nfs/dbraw/zinc/08/32/72/729083272.db2.gz YKYCIYSIQGNEFT-CQSZACIVSA-N 2 0 266.433 1.811 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]12 ZINC001026420840 729180409 /nfs/dbraw/zinc/18/04/09/729180409.db2.gz LYAGDJDBHQALAY-BZUAXINKSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000855899693 729244560 /nfs/dbraw/zinc/24/45/60/729244560.db2.gz SAKPYZMCPBUABE-CQSZACIVSA-N 2 0 267.417 1.341 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)CC1 ZINC001050664337 729292388 /nfs/dbraw/zinc/29/23/88/729292388.db2.gz MKNFUCSMLKLXGH-CABCVRRESA-N 2 0 291.439 1.295 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CC(C)C)CC1 ZINC001039042362 729299865 /nfs/dbraw/zinc/29/98/65/729299865.db2.gz QMVSJDNLEVNZPX-MRXNPFEDSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C ZINC001017419209 729315692 /nfs/dbraw/zinc/31/56/92/729315692.db2.gz OWYXBEHYYSMZCZ-OWCLPIDISA-N 2 0 291.439 1.722 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001018872552 729315848 /nfs/dbraw/zinc/31/58/48/729315848.db2.gz FWIMDQKVZKIRFL-SOUVJXGZSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001027893104 729344991 /nfs/dbraw/zinc/34/49/91/729344991.db2.gz MWBZNUIQDAVGKR-OWCLPIDISA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001021094557 729361475 /nfs/dbraw/zinc/36/14/75/729361475.db2.gz SNLZLTYXIYXEMI-IHRRRGAJSA-N 2 0 265.401 1.284 20 30 CDEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001041409849 729368179 /nfs/dbraw/zinc/36/81/79/729368179.db2.gz SLIJRBRACSNEIN-WBVHZDCISA-N 2 0 291.439 1.581 20 30 CDEDRP COCC#CC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213570 729370896 /nfs/dbraw/zinc/37/08/96/729370896.db2.gz XMNLVEVHAWBEQI-UHFFFAOYSA-N 2 0 260.381 1.830 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032960635 729396409 /nfs/dbraw/zinc/39/64/09/729396409.db2.gz YBXMZIOSJWWITO-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038518529 729405064 /nfs/dbraw/zinc/40/50/64/729405064.db2.gz CSKPXBRTKKQMLF-OAHLLOKOSA-N 2 0 284.363 1.715 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033550065 729461733 /nfs/dbraw/zinc/46/17/33/729461733.db2.gz FARSCBKNXWSYIE-MRXNPFEDSA-N 2 0 291.439 1.273 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577982 729489654 /nfs/dbraw/zinc/48/96/54/729489654.db2.gz ZHIOMDHLDIHGGV-HNNXBMFYSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001052498584 729498300 /nfs/dbraw/zinc/49/83/00/729498300.db2.gz ILZKBLSXAFSNRN-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001054735300 729531799 /nfs/dbraw/zinc/53/17/99/729531799.db2.gz CFKCBUHGSZKRSL-TZMCWYRMSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001074695129 729606507 /nfs/dbraw/zinc/60/65/07/729606507.db2.gz GQKGOLNHQZMETB-ZNMIVQPWSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997517313 729634501 /nfs/dbraw/zinc/63/45/01/729634501.db2.gz ZRXHQAIQUUTKHV-GOEBONIOSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)cnc3c2)[C@@H]1C ZINC000986284901 729637286 /nfs/dbraw/zinc/63/72/86/729637286.db2.gz YTRNOVQGRUOSRH-HIFRSBDPSA-N 2 0 296.374 1.469 20 30 CDEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001023444843 729651237 /nfs/dbraw/zinc/65/12/37/729651237.db2.gz XZEAWGDNVIGPHO-CYBMUJFWSA-N 2 0 296.374 1.638 20 30 CDEDRP C[C@@H]1CNC(NN=C[C@@](C)(C[NH+](C)C)c2ccccc2)=[NH+]1 ZINC000834971026 729653832 /nfs/dbraw/zinc/65/38/32/729653832.db2.gz TUIFXAFSOOUOII-CJNGLKHVSA-N 2 0 287.411 1.429 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21 ZINC001026285315 729699480 /nfs/dbraw/zinc/69/94/80/729699480.db2.gz ZCEOPRUCIDDIFW-CWRNSKLLSA-N 2 0 291.439 1.483 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001001001788 729701425 /nfs/dbraw/zinc/70/14/25/729701425.db2.gz LUPDSXOIDJJJSZ-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001020149903 729749854 /nfs/dbraw/zinc/74/98/54/729749854.db2.gz GXVBTUXBBMBJNX-AJNGGQMLSA-N 2 0 277.412 1.284 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]12 ZINC001026283887 729756169 /nfs/dbraw/zinc/75/61/69/729756169.db2.gz MXDKKUDCJGXFJF-QLFBSQMISA-N 2 0 291.439 1.483 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052867391 729804059 /nfs/dbraw/zinc/80/40/59/729804059.db2.gz LXDRAEQQQDCINO-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001023403283 729806893 /nfs/dbraw/zinc/80/68/93/729806893.db2.gz IMEXKDZLJJYXTL-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001000921534 729829603 /nfs/dbraw/zinc/82/96/03/729829603.db2.gz WKUQRLYTLSHOKF-CYBMUJFWSA-N 2 0 285.819 1.415 20 30 CDEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001045639558 729846232 /nfs/dbraw/zinc/84/62/32/729846232.db2.gz MBAPKRHEKVFAGS-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001015032688 729858601 /nfs/dbraw/zinc/85/86/01/729858601.db2.gz MOWKLRRIPQTHCX-ZDUSSCGKSA-N 2 0 284.363 1.633 20 30 CDEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008409349 729863036 /nfs/dbraw/zinc/86/30/36/729863036.db2.gz GDYZREAMVVGYDV-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039470087 729924083 /nfs/dbraw/zinc/92/40/83/729924083.db2.gz PLKZCSBCUQWHFA-KFWWJZLASA-N 2 0 277.412 1.189 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001021091064 729938857 /nfs/dbraw/zinc/93/88/57/729938857.db2.gz RIXDFDLQKVBQAE-KBUPBQIOSA-N 2 0 279.428 1.672 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NCCCCC[NH+]1CCCCC1 ZINC000304759136 729961404 /nfs/dbraw/zinc/96/14/04/729961404.db2.gz QUVMKTVDGFFYGZ-CQSZACIVSA-N 2 0 284.448 1.582 20 30 CDEDRP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001046430370 729972997 /nfs/dbraw/zinc/97/29/97/729972997.db2.gz ALANOJWGJWATPM-CZUORRHYSA-N 2 0 288.395 1.212 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050754235 729976327 /nfs/dbraw/zinc/97/63/27/729976327.db2.gz SAPJGJVRSJRJFM-CQSZACIVSA-N 2 0 277.412 1.049 20 30 CDEDRP CC(C)[C@H](CNC(=[NH2+])N(C)C1CC1)[NH+]1CCCC1 ZINC000305809961 730015515 /nfs/dbraw/zinc/01/55/15/730015515.db2.gz INXNGWRDKCUKMR-ZDUSSCGKSA-N 2 0 252.406 1.516 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001049895946 730017571 /nfs/dbraw/zinc/01/75/71/730017571.db2.gz LARRIJQOGUUZMC-ARFHVFGLSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001072728747 730018026 /nfs/dbraw/zinc/01/80/26/730018026.db2.gz GBTAZDGXQHJQDS-HNNXBMFYSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CCC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001034397724 730023178 /nfs/dbraw/zinc/02/31/78/730023178.db2.gz KPWVHAOSUZAZKJ-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049696656 730037524 /nfs/dbraw/zinc/03/75/24/730037524.db2.gz ZQKAWNZPNHKURI-JKSUJKDBSA-N 2 0 289.423 1.027 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001000083271 730040034 /nfs/dbraw/zinc/04/00/34/730040034.db2.gz URNZWOFVCQWPAB-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3nccn32)[C@H]1C ZINC001074685954 730316557 /nfs/dbraw/zinc/31/65/57/730316557.db2.gz AZTBKZIMADQNJV-MELADBBJSA-N 2 0 288.395 1.526 20 30 CDEDRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000923419454 730367707 /nfs/dbraw/zinc/36/77/07/730367707.db2.gz AEASUOHWPSUSMP-CFVMTHIKSA-N 2 0 289.379 1.013 20 30 CDEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001044187314 730376132 /nfs/dbraw/zinc/37/61/32/730376132.db2.gz ACLQOKVGIGECAA-AWEZNQCLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046327184 730402305 /nfs/dbraw/zinc/40/23/05/730402305.db2.gz BZSRPBGOWFEDHT-IIAWOOMASA-N 2 0 279.428 1.483 20 30 CDEDRP CC#CC[C@@H]([NH3+])C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC001574971884 1167643415 /nfs/dbraw/zinc/64/34/15/1167643415.db2.gz JFNLMUNQGKLUMK-HUUCEWRRSA-N 2 0 279.428 1.498 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC001574902602 1167642036 /nfs/dbraw/zinc/64/20/36/1167642036.db2.gz DCYSLUPVZGPHAW-ZIAGYGMSSA-N 2 0 267.417 1.661 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC001574908385 1167642079 /nfs/dbraw/zinc/64/20/79/1167642079.db2.gz LWLJCZQPNJTPDN-UONOGXRCSA-N 2 0 267.417 1.518 20 30 CDEDRP CC[C@@H]1CN(C(NC[C@H](C2CC2)[NH+](C)C)=[NH+]C)CCS1 ZINC000261998229 896526439 /nfs/dbraw/zinc/52/64/39/896526439.db2.gz TWWTZWGNFBYEKL-ZIAGYGMSSA-N 2 0 298.500 1.729 20 30 CDEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176565569 914179718 /nfs/dbraw/zinc/17/97/18/914179718.db2.gz WQSAKEWYFADIAK-UONOGXRCSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001206281114 914249697 /nfs/dbraw/zinc/24/96/97/914249697.db2.gz BGUGUZCATFCKBN-HOCLYGCPSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104622249 898799949 /nfs/dbraw/zinc/79/99/49/898799949.db2.gz UYMHEOXRVLNRTE-ZIAGYGMSSA-N 2 0 267.417 1.198 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001104809207 899526501 /nfs/dbraw/zinc/52/65/01/899526501.db2.gz BDAGDEZZFYNXBU-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001026422074 899878784 /nfs/dbraw/zinc/87/87/84/899878784.db2.gz ZILSNNGVCXHARE-RRFJBIMHSA-N 2 0 277.412 1.095 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001161531944 900681439 /nfs/dbraw/zinc/68/14/39/900681439.db2.gz LYCDZWLDTWIJTF-UHFFFAOYSA-N 2 0 279.428 1.369 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001027942720 901031362 /nfs/dbraw/zinc/03/13/62/901031362.db2.gz IKXMPBURIYVRJF-MGPQQGTHSA-N 2 0 288.395 1.670 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188963259 921242344 /nfs/dbraw/zinc/24/23/44/921242344.db2.gz MWKWIFTVUZNWCC-LSDHHAIUSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001101569842 907745597 /nfs/dbraw/zinc/74/55/97/907745597.db2.gz QAXMENPALXCWMY-UHFFFAOYSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3nccn3C2)[C@H]1C ZINC001088678012 908769489 /nfs/dbraw/zinc/76/94/89/908769489.db2.gz CEWPMZYHUMTUPM-RDBSUJKOSA-N 2 0 288.395 1.211 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001168320694 909021865 /nfs/dbraw/zinc/02/18/65/909021865.db2.gz LDCJIENADWCBJK-UHFFFAOYSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001168346193 909138506 /nfs/dbraw/zinc/13/85/06/909138506.db2.gz XANBXXMXLUGUGN-HNNXBMFYSA-N 2 0 293.455 1.923 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189469964 921493661 /nfs/dbraw/zinc/49/36/61/921493661.db2.gz BCNNCVYXAVIHPK-UONOGXRCSA-N 2 0 265.401 1.047 20 30 CDEDRP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCN(CCC[NH3+])CC1 ZINC001172301635 911543362 /nfs/dbraw/zinc/54/33/62/911543362.db2.gz SLVUVDXZQWVVPD-OAHLLOKOSA-N 2 0 286.423 1.456 20 30 CDEDRP C[C@H](CCCC#N)[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001172489937 911727176 /nfs/dbraw/zinc/72/71/76/911727176.db2.gz SXKYBXFZLHUSLM-CQSZACIVSA-N 2 0 252.406 1.296 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033077462 921702022 /nfs/dbraw/zinc/70/20/22/921702022.db2.gz ROPJGSVVAXDRKH-HNNXBMFYSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001031714523 915017948 /nfs/dbraw/zinc/01/79/48/915017948.db2.gz KJQOEJJNKLHEHK-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)C12CCC[NH+]1CCC2 ZINC001178938682 915690952 /nfs/dbraw/zinc/69/09/52/915690952.db2.gz HTAGHTLQOHGVTC-UHFFFAOYSA-N 2 0 291.439 1.514 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124733 916166737 /nfs/dbraw/zinc/16/67/37/916166737.db2.gz PJGUWZOYKYOPQL-KKUMJFAQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124877721 936339302 /nfs/dbraw/zinc/33/93/02/936339302.db2.gz IHLDVWUVYBUUOQ-STQMWFEESA-N 2 0 253.390 1.141 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680428 936396744 /nfs/dbraw/zinc/39/67/44/936396744.db2.gz KURUIURQHHLQTM-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP N#C[C@H]1CC[C@@H]([NH2+]CCCOCCOCCC[NH3+])C1 ZINC001254637306 936412707 /nfs/dbraw/zinc/41/27/07/936412707.db2.gz OMZYUSMKTBEOBD-UONOGXRCSA-N 2 0 269.389 1.040 20 30 CDEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001181755241 917341934 /nfs/dbraw/zinc/34/19/34/917341934.db2.gz KURSTMUDGMARAE-UKPHBRMFSA-N 2 0 291.439 1.034 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032042841 917641099 /nfs/dbraw/zinc/64/10/99/917641099.db2.gz LPSUHYMUQKUREI-JKSUJKDBSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001183288439 918423210 /nfs/dbraw/zinc/42/32/10/918423210.db2.gz ICQJGJXLXGZPJA-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CC=C)C2)CC1 ZINC001000991973 936545149 /nfs/dbraw/zinc/54/51/49/936545149.db2.gz KUADYIBKWFTYOL-MRXNPFEDSA-N 2 0 289.423 1.098 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001185199739 919473539 /nfs/dbraw/zinc/47/35/39/919473539.db2.gz OKWUDRJVLODXCD-CQSZACIVSA-N 2 0 291.395 1.721 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185384337 919566244 /nfs/dbraw/zinc/56/62/44/919566244.db2.gz BONPSDVBUFNRGX-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001185445717 919598162 /nfs/dbraw/zinc/59/81/62/919598162.db2.gz HVNSMYHDALKZIM-GJZGRUSLSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001185683725 919703397 /nfs/dbraw/zinc/70/33/97/919703397.db2.gz ZHJCVKXUYQVQGH-HZPDHXFCSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190221843 921903773 /nfs/dbraw/zinc/90/37/73/921903773.db2.gz QNIJUKKZXIAUNI-CVEARBPZSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001190900481 922259410 /nfs/dbraw/zinc/25/94/10/922259410.db2.gz QDSQALDPZWRYCL-LSDHHAIUSA-N 2 0 281.444 1.826 20 30 CDEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203729478 922260243 /nfs/dbraw/zinc/26/02/43/922260243.db2.gz GSOUBTNQEALAEX-GJZGRUSLSA-N 2 0 289.423 1.123 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128786855 922434149 /nfs/dbraw/zinc/43/41/49/922434149.db2.gz XEUGMOOCXHLFHH-CYBMUJFWSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034207697 922543146 /nfs/dbraw/zinc/54/31/46/922543146.db2.gz NQXUYLHFTATWAS-HZPDHXFCSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193489430 923727187 /nfs/dbraw/zinc/72/71/87/923727187.db2.gz WOJPBBNUZZHHQJ-HNNXBMFYSA-N 2 0 297.443 1.064 20 30 CDEDRP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001194266703 924140401 /nfs/dbraw/zinc/14/04/01/924140401.db2.gz YSSTYGOLGZSRNL-HZPDHXFCSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CCOc1cccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205690259 924497108 /nfs/dbraw/zinc/49/71/08/924497108.db2.gz VCHGVGOCCQSODF-KRWDZBQOSA-N 2 0 290.407 1.927 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001080254821 924521188 /nfs/dbraw/zinc/52/11/88/924521188.db2.gz HPNBABQWZLRBKU-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101341666 936969728 /nfs/dbraw/zinc/96/97/28/936969728.db2.gz PAFMXUXREIIHFA-ZBFHGGJFSA-N 2 0 279.428 1.295 20 30 CDEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102318722 937052506 /nfs/dbraw/zinc/05/25/06/937052506.db2.gz HCFDLOZVAXSVGT-BZUAXINKSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086106683 926710967 /nfs/dbraw/zinc/71/09/67/926710967.db2.gz UQNIMURBIMZLDW-OAGGEKHMSA-N 2 0 293.455 1.635 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110693168 928332588 /nfs/dbraw/zinc/33/25/88/928332588.db2.gz DYTRVGXAOBZCQX-KBXIAJHMSA-N 2 0 279.428 1.480 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169808066 928447438 /nfs/dbraw/zinc/44/74/38/928447438.db2.gz BAHCRZXHFPVFFF-LSDHHAIUSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CCC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001150796639 937249952 /nfs/dbraw/zinc/24/99/52/937249952.db2.gz WTCQWHVBZMIHDM-OAHLLOKOSA-N 2 0 297.443 1.110 20 30 CDEDRP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001112009412 937262448 /nfs/dbraw/zinc/26/24/48/937262448.db2.gz BGQOHGZAVZFJEH-RDJZCZTQSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110005948 929101075 /nfs/dbraw/zinc/10/10/75/929101075.db2.gz MRWFMMOHWNWRNR-ILXRZTDVSA-N 2 0 277.412 1.073 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001202503776 929137912 /nfs/dbraw/zinc/13/79/12/929137912.db2.gz NEXQFWBAULWDQB-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CCC)C2)CC1 ZINC001086558500 929414039 /nfs/dbraw/zinc/41/40/39/929414039.db2.gz VEOUXWUYLYWTGV-KOMQPUFPSA-N 2 0 291.439 1.226 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135102646 930053049 /nfs/dbraw/zinc/05/30/49/930053049.db2.gz KAANHXYDANFSKB-UONOGXRCSA-N 2 0 265.401 1.285 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCCCC1 ZINC001115733155 937416965 /nfs/dbraw/zinc/41/69/65/937416965.db2.gz PSIUYDCMABKKGY-AWEZNQCLSA-N 2 0 281.444 1.921 20 30 CDEDRP CC#CC[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CCCCC1 ZINC001115805752 937420873 /nfs/dbraw/zinc/42/08/73/937420873.db2.gz DSYMMVDIHMTGMK-UHFFFAOYSA-N 2 0 293.455 1.760 20 30 CDEDRP C[Si](C)(C)C#Cc1ccc(N[C@H]([NH3+])CCC[NH3+])nc1 ZINC001170895655 930688678 /nfs/dbraw/zinc/68/86/78/930688678.db2.gz WNNZICPFVJJWKL-ZDUSSCGKSA-N 2 0 276.460 1.746 20 30 CDEDRP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001153506816 937449415 /nfs/dbraw/zinc/44/94/15/937449415.db2.gz FMFRORZWPVHANC-OWCLPIDISA-N 2 0 293.455 1.567 20 30 CDEDRP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001153720363 937463674 /nfs/dbraw/zinc/46/36/74/937463674.db2.gz FCKQFNHKBZCAOQ-CVEARBPZSA-N 2 0 293.455 1.711 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001202772390 931450786 /nfs/dbraw/zinc/45/07/86/931450786.db2.gz OQAVTUFRWULYHS-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001091111902 931825119 /nfs/dbraw/zinc/82/51/19/931825119.db2.gz PAEPYDIDYNERDS-UYSNPLJNSA-N 2 0 293.455 1.777 20 30 CDEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001095437792 932477826 /nfs/dbraw/zinc/47/78/26/932477826.db2.gz HEXDXLXTIQEITM-SUJAAXHWSA-N 2 0 291.439 1.624 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001147359511 932482676 /nfs/dbraw/zinc/48/26/76/932482676.db2.gz QVZQVSFISLANIE-HNNXBMFYSA-N 2 0 279.428 1.370 20 30 CDEDRP C#CC[NH2+]CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001147449103 932517538 /nfs/dbraw/zinc/51/75/38/932517538.db2.gz IVSFGEHPGUQJFY-OAHLLOKOSA-N 2 0 273.380 1.018 20 30 CDEDRP C=CCC[N@H+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148625844 932764038 /nfs/dbraw/zinc/76/40/38/932764038.db2.gz MBGHCAWKJWFWJB-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001092021615 932910569 /nfs/dbraw/zinc/91/05/69/932910569.db2.gz FAYUOFGDMZDENH-VYDXJSESSA-N 2 0 293.455 1.683 20 30 CDEDRP CCCCCCNC(=[NH2+])NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000303981710 935049444 /nfs/dbraw/zinc/04/94/44/935049444.db2.gz PITOHWVBYBXDBP-CQSZACIVSA-N 2 0 283.464 1.107 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C ZINC001017664733 935646132 /nfs/dbraw/zinc/64/61/32/935646132.db2.gz ZLDHYUPBIFEQEU-OWCLPIDISA-N 2 0 291.439 1.722 20 30 CDEDRP C#CC[NH2+]CC(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC001121982957 937896503 /nfs/dbraw/zinc/89/65/03/937896503.db2.gz HPFUISVZZVFBHT-AWEZNQCLSA-N 2 0 293.436 1.470 20 30 CDEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158852301 938670585 /nfs/dbraw/zinc/67/05/85/938670585.db2.gz AKUPMHYQAIIJNC-MRXNPFEDSA-N 2 0 291.439 1.418 20 30 CDEDRP Cc1nc(N[C@H]([NH3+])CCC[NH3+])c(Cl)cc1C#N ZINC001159788491 938753690 /nfs/dbraw/zinc/75/36/90/938753690.db2.gz JAFVUWICXGSNET-JTQLQIEISA-N 2 0 253.737 1.351 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160870281 938835125 /nfs/dbraw/zinc/83/51/25/938835125.db2.gz WYAAASYQHKJPGG-CABCVRRESA-N 2 0 277.412 1.123 20 30 CDEDRP N#Cc1cc(F)c(Cl)nc1NCCC[NH2+]CCCC[NH3+] ZINC001162288983 938971939 /nfs/dbraw/zinc/97/19/39/938971939.db2.gz BXIDJUYDBMIHDR-UHFFFAOYSA-N 2 0 299.781 1.876 20 30 CDEDRP N#Cc1ccnc(NCCC[NH2+]CCCC[NH3+])c1F ZINC001162290383 938971945 /nfs/dbraw/zinc/97/19/45/938971945.db2.gz RJBYASSAUQRKKE-UHFFFAOYSA-N 2 0 265.336 1.223 20 30 CDEDRP C=CC(NC[C@@H]1CCC2(CC[NH2+]CC2)CO1)=[NH+]COC ZINC001162956984 939165426 /nfs/dbraw/zinc/16/54/26/939165426.db2.gz IGXHOARXNFQFID-ZDUSSCGKSA-N 2 0 281.400 1.313 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001166690459 939627032 /nfs/dbraw/zinc/62/70/32/939627032.db2.gz BBHZTFURCKXVHF-KBPBESRZSA-N 2 0 267.417 1.246 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001203902563 939712250 /nfs/dbraw/zinc/71/22/50/939712250.db2.gz GFUYIBIYVSLXFO-MRXNPFEDSA-N 2 0 291.439 1.465 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001203902562 939712465 /nfs/dbraw/zinc/71/24/65/939712465.db2.gz GFUYIBIYVSLXFO-INIZCTEOSA-N 2 0 291.439 1.465 20 30 CDEDRP C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C[NH3+] ZINC001205136087 939826945 /nfs/dbraw/zinc/82/69/45/939826945.db2.gz MNVWARKLCFYBDM-GXTWGEPZSA-N 2 0 259.353 1.616 20 30 CDEDRP N#Cc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)s1 ZINC001205241626 939840899 /nfs/dbraw/zinc/84/08/99/939840899.db2.gz UERHMVLBFRXITK-CYBMUJFWSA-N 2 0 265.382 1.295 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001205334249 939882078 /nfs/dbraw/zinc/88/20/78/939882078.db2.gz ILFVSGFSWCKVIM-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP N#Cc1ccnc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205582755 939905888 /nfs/dbraw/zinc/90/58/88/939905888.db2.gz YQDSJKOTSFFNMJ-CQSZACIVSA-N 2 0 262.332 1.606 20 30 CDEDRP N#Cc1ccc2c(C[N@H+]3CCCC[C@@](O)(C[NH3+])C3)c[nH]c2c1 ZINC001205683011 939918463 /nfs/dbraw/zinc/91/84/63/939918463.db2.gz WEHHRGXFKGSPKC-QGZVFWFLSA-N 2 0 298.390 1.715 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001206066582 939974034 /nfs/dbraw/zinc/97/40/34/939974034.db2.gz AIPKRABNNVSWEM-UHFFFAOYSA-N 2 0 291.439 1.180 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207545027 940213743 /nfs/dbraw/zinc/21/37/43/940213743.db2.gz ASMVFCQFFNIRPT-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207601259 940220122 /nfs/dbraw/zinc/22/01/22/940220122.db2.gz FHKQXGOODCPIRR-BZUAXINKSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCN(CC[N@H+](C)CC1CC[NH+](C)CC1)C(=O)OCC ZINC001209020660 940425063 /nfs/dbraw/zinc/42/50/63/940425063.db2.gz AFONVRMCNKKTHG-UHFFFAOYSA-N 2 0 297.443 1.905 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211072943 940728266 /nfs/dbraw/zinc/72/82/66/940728266.db2.gz XKYRADPHORJEOO-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214336167 940816698 /nfs/dbraw/zinc/81/66/98/940816698.db2.gz WOUXVBVAVACTTN-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214855723 940841206 /nfs/dbraw/zinc/84/12/06/940841206.db2.gz MAAYUNCDIYLZIT-BMFZPTHFSA-N 2 0 293.455 1.729 20 30 CDEDRP N#Cc1ccc([C@@H](O)CN2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000402237238 940891305 /nfs/dbraw/zinc/89/13/05/940891305.db2.gz FYDOPJXWRFRKFQ-HOTGVXAUSA-N 2 0 271.364 1.277 20 30 CDEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791544 941551523 /nfs/dbraw/zinc/55/15/23/941551523.db2.gz RCHDKOXUVBHYGI-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP COc1cc(C#N)ccc1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222542911 941611093 /nfs/dbraw/zinc/61/10/93/941611093.db2.gz MQVXLVIRQYQFFU-UHFFFAOYSA-N 2 0 277.343 1.830 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]21 ZINC001223023382 941650671 /nfs/dbraw/zinc/65/06/71/941650671.db2.gz IUQYKCQKSBESGX-CABCVRRESA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001227816708 942231500 /nfs/dbraw/zinc/23/15/00/942231500.db2.gz HHTLPCCIKMUTIA-AWEZNQCLSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001229058274 942412689 /nfs/dbraw/zinc/41/26/89/942412689.db2.gz JABGAXJKKRWEIC-OAHLLOKOSA-N 2 0 281.444 1.729 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001229524578 942488870 /nfs/dbraw/zinc/48/88/70/942488870.db2.gz PKRXHNZQYYPCDH-HUUCEWRRSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001230115316 942585705 /nfs/dbraw/zinc/58/57/05/942585705.db2.gz OCCUESWOBNOLIC-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC001263103031 943745079 /nfs/dbraw/zinc/74/50/79/943745079.db2.gz LSKNABYQCHUGLX-DYEKYZERSA-N 2 0 265.401 1.411 20 30 CDEDRP C#CCCN1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)C1=O ZINC001254510969 947474005 /nfs/dbraw/zinc/47/40/05/947474005.db2.gz ZJLHEPLAEUMVQZ-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP CC(C)(C)OC(=O)N[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001254646624 947569073 /nfs/dbraw/zinc/56/90/73/947569073.db2.gz NQFTUOHPZIAONO-FRRDWIJNSA-N 2 0 296.415 1.858 20 30 CDEDRP C[NH+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC001254649703 947572273 /nfs/dbraw/zinc/57/22/73/947572273.db2.gz VMWPWHRADJUDGW-AJNGGQMLSA-N 2 0 292.427 1.257 20 30 CDEDRP CC(C)([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1ccc(C#N)cc1 ZINC001246180285 948011632 /nfs/dbraw/zinc/01/16/32/948011632.db2.gz VAUMTBOGNYJCRB-HNNXBMFYSA-N 2 0 284.407 1.477 20 30 CDEDRP C[NH2+]CC[C@H](C)NC(=[NH2+])c1ccc(C(=O)OC)cc1 ZINC001246305962 948095894 /nfs/dbraw/zinc/09/58/94/948095894.db2.gz QZIOHCZEFGBYIV-JTQLQIEISA-N 2 0 263.341 1.177 20 30 CDEDRP C[NH+]1CCC(C#N)(NC2CC[NH+](C3CC3)CC2)CC1 ZINC001256071694 948194272 /nfs/dbraw/zinc/19/42/72/948194272.db2.gz LHHCLSPFNKVMGB-UHFFFAOYSA-N 2 0 262.401 1.191 20 30 CDEDRP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246540140 948242433 /nfs/dbraw/zinc/24/24/33/948242433.db2.gz DABICXRPRQXEDD-PBHICJAKSA-N 2 0 287.407 1.665 20 30 CDEDRP C=C(C)C(=O)NCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256614676 948362928 /nfs/dbraw/zinc/36/29/28/948362928.db2.gz GTQDGDDRAGTSQR-AGUYFDCRSA-N 2 0 265.401 1.284 20 30 CDEDRP C=CCOCc1nn([C@@H]2CCC[NH2+]C2)c2c1C[NH2+]C2 ZINC001246703897 948411029 /nfs/dbraw/zinc/41/10/29/948411029.db2.gz SHLBLMFDHJZEAO-LLVKDONJSA-N 2 0 262.357 1.113 20 30 CDEDRP CN(C)C1(C[NH2+]C2CCC(C#N)CC2)CC[NH+](C)CC1 ZINC001256953864 948463274 /nfs/dbraw/zinc/46/32/74/948463274.db2.gz QNUBSKRUBXXMDP-UHFFFAOYSA-N 2 0 278.444 1.684 20 30 CDEDRP C=CCOC1CCC([N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246852848 948477713 /nfs/dbraw/zinc/47/77/13/948477713.db2.gz KYSOYAQDIBMWSG-PPWQZUPISA-N 2 0 250.386 1.923 20 30 CDEDRP C#CCOC[C@@H](O)C[NH2+][C@H]1CC[C@@H]([NH+](CC)CC)CC1 ZINC001251906616 950944821 /nfs/dbraw/zinc/94/48/21/950944821.db2.gz IFWQXIOKOSXKIV-XHSDSOJGSA-N 2 0 282.428 1.240 20 30 CDEDRP C=CCOC[C@@H](O)C[N@H+](CCC)CCC[NH+](C)C ZINC001252473182 951327671 /nfs/dbraw/zinc/32/76/71/951327671.db2.gz IEKUHWWWTDTTMP-AWEZNQCLSA-N 2 0 258.406 1.214 20 30 CDEDRP C=C[C@@H](CO)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254050610 952174686 /nfs/dbraw/zinc/17/46/86/952174686.db2.gz PWIZKLYCSHBPSS-INIZCTEOSA-N 2 0 290.407 1.150 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001480623758 971812609 /nfs/dbraw/zinc/81/26/09/971812609.db2.gz MYUQYKIEOWFMKR-ZDUSSCGKSA-N 2 0 253.390 1.095 20 30 CDEDRP C=CCC[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001328911978 955549400 /nfs/dbraw/zinc/54/94/00/955549400.db2.gz OLLOYTFPKQIXRI-YMAMQOFZSA-N 2 0 281.444 1.633 20 30 CDEDRP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317380328 956242549 /nfs/dbraw/zinc/24/25/49/956242549.db2.gz AUEPMQRKHYWSEL-LSDHHAIUSA-N 2 0 279.428 1.273 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001366129249 956588483 /nfs/dbraw/zinc/58/84/83/956588483.db2.gz AIOCECNAXUALGT-HAQNSBGRSA-N 2 0 273.808 1.318 20 30 CDEDRP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001495039125 972384246 /nfs/dbraw/zinc/38/42/46/972384246.db2.gz QHIUBKJODYJHSM-CHWSQXEVSA-N 2 0 253.390 1.141 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001340914542 963188175 /nfs/dbraw/zinc/18/81/75/963188175.db2.gz ZQCUGKQTSXYJMA-MJBXVCDLSA-N 2 0 269.433 1.918 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N(C)C[C@H](C)[NH3+] ZINC001341488689 963434965 /nfs/dbraw/zinc/43/49/65/963434965.db2.gz NLMGKQFGFCATFF-STQMWFEESA-N 2 0 257.422 1.870 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1F ZINC001342060172 963623833 /nfs/dbraw/zinc/62/38/33/963623833.db2.gz KDMQJWGMBIYNIC-AWEZNQCLSA-N 2 0 279.359 1.584 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001439123370 963648448 /nfs/dbraw/zinc/64/84/48/963648448.db2.gz JQZXZRNIWODEJW-GFCCVEGCSA-N 2 0 285.819 1.462 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001441402412 964500533 /nfs/dbraw/zinc/50/05/33/964500533.db2.gz BWPHAKIALZVOEN-HAQNSBGRSA-N 2 0 285.819 1.318 20 30 CDEDRP CC(C)(C)N1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001353330050 967903110 /nfs/dbraw/zinc/90/31/10/967903110.db2.gz REZRTJFJRVFOMV-QWHCGFSZSA-N 2 0 267.417 1.750 20 30 CDEDRP C#CC[NH2+]CC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001353571923 968076195 /nfs/dbraw/zinc/07/61/95/968076195.db2.gz RRZYUYXFMMIEST-AWEZNQCLSA-N 2 0 293.798 1.282 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001100377532 968165776 /nfs/dbraw/zinc/16/57/76/968165776.db2.gz CWSHJALLKFSLDR-YMAMQOFZSA-N 2 0 297.418 1.174 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200644957 968688023 /nfs/dbraw/zinc/68/80/23/968688023.db2.gz UQGRINLVVZVTGR-UKRRQHHQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001100678321 968933627 /nfs/dbraw/zinc/93/36/27/968933627.db2.gz HIOKBIZJTNBYKR-WLYUNCDWSA-N 2 0 279.428 1.389 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001100681927 968939951 /nfs/dbraw/zinc/93/99/51/968939951.db2.gz YTOFKRQUTJGRPC-UHFFFAOYSA-N 2 0 293.455 1.472 20 30 CDEDRP C=CC[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132368012 1163253588 /nfs/dbraw/zinc/25/35/88/1163253588.db2.gz HPHQNVNCRUGCAQ-UONOGXRCSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001133347759 1163649925 /nfs/dbraw/zinc/64/99/25/1163649925.db2.gz ZHJHCCYTALROPI-HUUCEWRRSA-N 2 0 279.428 1.034 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001574908416 1171047043 /nfs/dbraw/zinc/04/70/43/1171047043.db2.gz MXFSPYKAVMKNDT-LSDHHAIUSA-N 2 0 279.428 1.803 20 30 CDEDRP C[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[N@@H+]1CCCC[C@H]1C ZINC000594441772 342907674 /nfs/dbraw/zinc/90/76/74/342907674.db2.gz WRCXOSKWFAEDJC-KFWWJZLASA-N 2 0 294.443 1.777 20 30 CDEDRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598595502 343840310 /nfs/dbraw/zinc/84/03/10/343840310.db2.gz ONPDVFPVDMJSBX-JKSUJKDBSA-N 2 0 293.455 1.951 20 30 CDEDRP CSC1(C[NH2+]C[C@H](O)CC(C)(C)C#N)CC[NH+](C)CC1 ZINC000598726790 343886117 /nfs/dbraw/zinc/88/61/17/343886117.db2.gz BWWMVGMJJVXJAG-CYBMUJFWSA-N 2 0 299.484 1.704 20 30 CDEDRP C[C@H](CCC#N)C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000602548985 344463847 /nfs/dbraw/zinc/46/38/47/344463847.db2.gz QAUFVBNAZNDORN-CABCVRRESA-N 2 0 278.444 1.684 20 30 CDEDRP COCC#CC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532622 362402282 /nfs/dbraw/zinc/40/22/82/362402282.db2.gz HDQAQHASKVHTPV-UHFFFAOYSA-N 2 0 252.402 1.834 20 30 CDEDRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000613255106 347542535 /nfs/dbraw/zinc/54/25/35/347542535.db2.gz KHUOADFZWIYWFC-HZPDHXFCSA-N 2 0 278.444 1.686 20 30 CDEDRP CNC(=[NH2+])NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000264094918 362964957 /nfs/dbraw/zinc/96/49/57/362964957.db2.gz MFNWMNPXIOXHMQ-UHFFFAOYSA-N 2 0 290.411 1.441 20 30 CDEDRP Cc1nccn1CCCNC(=[NH2+])NC1CCCCC1 ZINC000264128183 362974567 /nfs/dbraw/zinc/97/45/67/362974567.db2.gz WXZBUPKYTYWXON-UHFFFAOYSA-N 2 0 263.389 1.819 20 30 CDEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001660841826 1172287426 /nfs/dbraw/zinc/28/74/26/1172287426.db2.gz KHRVEVOBAPLTQV-AWEZNQCLSA-N 2 0 267.417 1.485 20 30 CDEDRP C=C(CC)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000358504319 367732908 /nfs/dbraw/zinc/73/29/08/367732908.db2.gz FRPVDAXBPIUUCA-HNNXBMFYSA-N 2 0 251.418 1.664 20 30 CDEDRP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC000328911659 376023344 /nfs/dbraw/zinc/02/33/44/376023344.db2.gz GOXLIFLCHBQVTB-OLZOCXBDSA-N 2 0 276.384 1.886 20 30 CDEDRP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3cncc3C2)C1 ZINC000328911660 376023376 /nfs/dbraw/zinc/02/33/76/376023376.db2.gz GOXLIFLCHBQVTB-STQMWFEESA-N 2 0 276.384 1.886 20 30 CDEDRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000267174656 190309013 /nfs/dbraw/zinc/30/90/13/190309013.db2.gz IWDVGIITAPOTQT-UHFFFAOYSA-N 2 0 265.382 1.166 20 30 CDEDRP C=CCOCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000339045599 391246587 /nfs/dbraw/zinc/24/65/87/391246587.db2.gz XAOAXEJKJJKUSX-RBSFLKMASA-N 2 0 268.401 1.373 20 30 CDEDRP C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000339059095 391248607 /nfs/dbraw/zinc/24/86/07/391248607.db2.gz FMUGCSUMZDGHED-TWMKSMIVSA-N 2 0 290.455 1.636 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C)N(C)Cc1ccccc1 ZINC000267474138 391197380 /nfs/dbraw/zinc/19/73/80/391197380.db2.gz YTKXXTZZJYDLPM-ZIAGYGMSSA-N 2 0 292.427 1.446 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647797095 391649747 /nfs/dbraw/zinc/64/97/47/391649747.db2.gz YVWXBWQRIFUWNS-LJIZCISZSA-N 2 0 264.413 1.945 20 30 CDEDRP CC[NH+]=C(NCc1ccoc1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261728405 391686455 /nfs/dbraw/zinc/68/64/55/391686455.db2.gz JDWGLNKQTMDNCJ-IUODEOHRSA-N 2 0 290.411 1.817 20 30 CDEDRP C=CC[C@@]1(C(=O)N[C@H](C)C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662702709 413349019 /nfs/dbraw/zinc/34/90/19/413349019.db2.gz CTZMQPIIOFTMDV-CJNGLKHVSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC000490877066 261234502 /nfs/dbraw/zinc/23/45/02/261234502.db2.gz WDTLJBDWYSTFDS-HUUCEWRRSA-N 2 0 291.439 1.273 20 30 CDEDRP C=CCOCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000338912044 262569815 /nfs/dbraw/zinc/56/98/15/262569815.db2.gz JGRGFXSLGVYTLG-UHFFFAOYSA-N 2 0 268.401 1.233 20 30 CDEDRP CCCNC(=[NH2+])NCc1ccncc1OCCC[NH+](C)C ZINC000288774033 263106058 /nfs/dbraw/zinc/10/60/58/263106058.db2.gz VGOATNCXQCMWPJ-UHFFFAOYSA-N 2 0 293.415 1.226 20 30 CDEDRP C[C@H](C(=O)NC1(C#N)CC[NH+](C)CC1)[NH+]1CCCCCC1 ZINC000531054873 327232699 /nfs/dbraw/zinc/23/26/99/327232699.db2.gz WWVVOBONTSADDF-CQSZACIVSA-N 2 0 292.427 1.355 20 30 CDEDRP C[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)N1CC[NH+](C)CC1 ZINC000185822330 329330004 /nfs/dbraw/zinc/33/00/04/329330004.db2.gz ZYCJCKYQBAYGKL-QLFBSQMISA-N 2 0 264.417 1.294 20 30 CDEDRP C[NH+]=C(NCC1([NH+](C)C)CCCC1)NC[C@]1(C)CCCO1 ZINC000261720489 329979502 /nfs/dbraw/zinc/97/95/02/329979502.db2.gz IHFVYQMIZOGLDR-HNNXBMFYSA-N 2 0 296.459 1.595 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NCC(C)(C)SC ZINC000262562940 330021558 /nfs/dbraw/zinc/02/15/58/330021558.db2.gz WZGKWGHPAXFREP-NSHDSACASA-N 2 0 272.462 1.245 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCOC(C)(C)C1 ZINC000263026492 330039143 /nfs/dbraw/zinc/03/91/43/330039143.db2.gz ASMKNLQRFZTRDY-UONOGXRCSA-N 2 0 296.459 1.580 20 30 CDEDRP C=CC[C@@H](C)[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422977809 330162287 /nfs/dbraw/zinc/16/22/87/330162287.db2.gz GHBMKIROKRRVHU-OLZOCXBDSA-N 2 0 268.401 1.862 20 30 CDEDRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424127598 330259681 /nfs/dbraw/zinc/25/96/81/330259681.db2.gz BDWQNAJUICINQT-KBPBESRZSA-N 2 0 280.416 1.388 20 30 CDEDRP C[NH+](C)C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424143137 330286994 /nfs/dbraw/zinc/28/69/94/330286994.db2.gz VZVNWVAMDJUHHW-LSDHHAIUSA-N 2 0 288.395 1.427 20 30 CDEDRP C[NH+](C)CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C(C)(C)C ZINC000424147557 330293922 /nfs/dbraw/zinc/29/39/22/330293922.db2.gz ROVCHRFMKNVQAW-QWHCGFSZSA-N 2 0 282.432 1.490 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000120657089 330389757 /nfs/dbraw/zinc/38/97/57/330389757.db2.gz DHKXCOZLBYPCMV-ZBFHGGJFSA-N 2 0 291.439 1.130 20 30 CDEDRP C=CCC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000121062097 330395936 /nfs/dbraw/zinc/39/59/36/330395936.db2.gz PZNDQXFAFSKRMB-HOCLYGCPSA-N 2 0 265.445 1.957 20 30 CDEDRP N#C[C@@H]1CC[C@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000429715928 330553410 /nfs/dbraw/zinc/55/34/10/330553410.db2.gz OHUWKWLZJJMJKP-CVEARBPZSA-N 2 0 277.412 1.723 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000490574502 332092893 /nfs/dbraw/zinc/09/28/93/332092893.db2.gz ZOUHHIGMDIJOKE-UHFFFAOYSA-N 2 0 291.439 1.324 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CC(C)C)CC2)CC1 ZINC000490590250 332093510 /nfs/dbraw/zinc/09/35/10/332093510.db2.gz QAWVWYWPFFIXKN-UHFFFAOYSA-N 2 0 291.439 1.132 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N(CC[NH+](C)C)CC(C)C ZINC000491767337 332335070 /nfs/dbraw/zinc/33/50/70/332335070.db2.gz ILQHQYTZRJDWAS-UHFFFAOYSA-N 2 0 296.459 1.171 20 30 CDEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]CC(C)(C)CCC#N ZINC000174367935 335153231 /nfs/dbraw/zinc/15/32/31/335153231.db2.gz QKYBGJLXGIMJIT-CQSZACIVSA-N 2 0 266.433 1.542 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000669465267 483173103 /nfs/dbraw/zinc/17/31/03/483173103.db2.gz OEUQCXGGVLGVMQ-UKRRQHHQSA-N 2 0 292.427 1.030 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000669464958 483173204 /nfs/dbraw/zinc/17/32/04/483173204.db2.gz QVGWEUUAPWTSAN-CQSZACIVSA-N 2 0 294.443 1.468 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=S)NCCC[NH+](C)C)CC1 ZINC000729942833 574832223 /nfs/dbraw/zinc/83/22/23/574832223.db2.gz UGAGRSBNUUMRDC-UHFFFAOYSA-N 2 0 298.500 1.443 20 30 CDEDRP COCCO[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771558238 575590080 /nfs/dbraw/zinc/59/00/80/575590080.db2.gz XVPPGSKLIOYZQA-UHFFFAOYSA-N 2 0 277.368 1.435 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000764291948 575897945 /nfs/dbraw/zinc/89/79/45/575897945.db2.gz ZGBOLNXSQOBZND-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000764425462 575906628 /nfs/dbraw/zinc/90/66/28/575906628.db2.gz IOIBIDHVLBPBFF-UHFFFAOYSA-N 2 0 275.396 1.352 20 30 CDEDRP C#CCC[NH+]1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000760818062 576513056 /nfs/dbraw/zinc/51/30/56/576513056.db2.gz NSZFJNXBXSPMAB-UHFFFAOYSA-N 2 0 293.455 1.570 20 30 CDEDRP C#CC[NH2+]C1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000964186523 612955573 /nfs/dbraw/zinc/95/55/73/612955573.db2.gz UAPNFJYDGSSQFK-QQFBHYJXSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000981953689 613002296 /nfs/dbraw/zinc/00/22/96/613002296.db2.gz RKXUVCNPTXJDJA-OAHLLOKOSA-N 2 0 277.412 1.028 20 30 CDEDRP C#CCCN1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948755926 613009491 /nfs/dbraw/zinc/00/94/91/613009491.db2.gz PYNBQBMTDXUKRL-MRXNPFEDSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947935522 613017033 /nfs/dbraw/zinc/01/70/33/613017033.db2.gz QSTSQUOEXGCJJI-HUUCEWRRSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942596408 613026061 /nfs/dbraw/zinc/02/60/61/613026061.db2.gz AAPLJOQNXKZMFH-HOCLYGCPSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000971640737 613083086 /nfs/dbraw/zinc/08/30/86/613083086.db2.gz HYHUJZNCKPEEFB-CABCVRRESA-N 2 0 277.412 1.027 20 30 CDEDRP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942517983 613236431 /nfs/dbraw/zinc/23/64/31/613236431.db2.gz KBAIEOHIGFGANA-XJKSGUPXSA-N 2 0 296.374 1.408 20 30 CDEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000972336547 613283513 /nfs/dbraw/zinc/28/35/13/613283513.db2.gz YCNJRGXZKYVOAJ-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000980484342 613290482 /nfs/dbraw/zinc/29/04/82/613290482.db2.gz YLKWHWOKTVLSEA-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000975036491 613337703 /nfs/dbraw/zinc/33/77/03/613337703.db2.gz JAMGIPFCYJGDMJ-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000981311509 613350526 /nfs/dbraw/zinc/35/05/26/613350526.db2.gz NDSCLDCLXAOULX-JKSUJKDBSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981525835 613350584 /nfs/dbraw/zinc/35/05/84/613350584.db2.gz ZWWDYMFHNIYOML-LSDHHAIUSA-N 2 0 279.428 1.675 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000949807336 613508528 /nfs/dbraw/zinc/50/85/28/613508528.db2.gz RAEXOTAWHQUAEE-INIZCTEOSA-N 2 0 293.455 1.829 20 30 CDEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977604238 613545062 /nfs/dbraw/zinc/54/50/62/613545062.db2.gz VPBAXWWGOAHGNH-ZIAGYGMSSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000960180601 613565285 /nfs/dbraw/zinc/56/52/85/613565285.db2.gz IHGNJQVKHWCWPP-QXSJWSMHSA-N 2 0 291.439 1.483 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000972009470 613615049 /nfs/dbraw/zinc/61/50/49/613615049.db2.gz SCRGXIJVNCGUCM-HZPDHXFCSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000972176037 613633737 /nfs/dbraw/zinc/63/37/37/613633737.db2.gz ISHUXMBEEYOXDL-KKUMJFAQSA-N 2 0 279.428 1.435 20 30 CDEDRP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000981666418 613680806 /nfs/dbraw/zinc/68/08/06/613680806.db2.gz RUECSOICLFWMFK-CQSZACIVSA-N 2 0 277.412 1.191 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944944977 613781745 /nfs/dbraw/zinc/78/17/45/613781745.db2.gz PNSDXTDMVRGNOI-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975056625 613805899 /nfs/dbraw/zinc/80/58/99/613805899.db2.gz YAZUKZMCWUIBNQ-UONOGXRCSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977473239 613806879 /nfs/dbraw/zinc/80/68/79/613806879.db2.gz WMUAQQYHPMKBOC-UONOGXRCSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000965912713 613858427 /nfs/dbraw/zinc/85/84/27/613858427.db2.gz QTVSCGPICYJKGL-BHTBLZRRSA-N 2 0 277.412 1.141 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000891521562 617458591 /nfs/dbraw/zinc/45/85/91/617458591.db2.gz ZDJMETQMWNOCBW-BETUJISGSA-N 2 0 280.416 1.063 20 30 CDEDRP C[C@@H](CCCC[NH3+])[NH2+]CCNc1ccc(C#N)cn1 ZINC000925892844 617987349 /nfs/dbraw/zinc/98/73/49/617987349.db2.gz GIOLAMQJSYUENQ-LBPRGKRZSA-N 2 0 261.373 1.472 20 30 CDEDRP CC[N@H+](CCNC(=[NH2+])N1CCC[C@@H](C)C1)C1CC1 ZINC000104191636 618104493 /nfs/dbraw/zinc/10/44/93/618104493.db2.gz GWWLRACXPKOJIM-GFCCVEGCSA-N 2 0 252.406 1.517 20 30 CDEDRP C[NH2+]CCOCC[N@H+](C)CC1CCC(C#N)CC1 ZINC000903474014 626004735 /nfs/dbraw/zinc/00/47/35/626004735.db2.gz FFLDVXNEOQGTIC-UHFFFAOYSA-N 2 0 253.390 1.484 20 30 CDEDRP C=CC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903758181 626088638 /nfs/dbraw/zinc/08/86/38/626088638.db2.gz JDLVEEZFQGNGAK-CQSZACIVSA-N 2 0 250.386 1.796 20 30 CDEDRP C#CCCN1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000906483366 627293837 /nfs/dbraw/zinc/29/38/37/627293837.db2.gz GFPIPMGTJHIQEF-INIZCTEOSA-N 2 0 291.439 1.276 20 30 CDEDRP CC[NH+](CC)Cc1cc(C(C)=NNC(N)=[NH2+])ccc1O ZINC000915051183 631638100 /nfs/dbraw/zinc/63/81/00/631638100.db2.gz WVAAPPUNWIGDKT-UHFFFAOYSA-N 2 0 277.372 1.441 20 30 CDEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001114041033 1162410861 /nfs/dbraw/zinc/41/08/61/1162410861.db2.gz FKMRTWNZLMBTCH-LJISPDSOSA-N 2 0 277.412 1.093 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129532155 1162479480 /nfs/dbraw/zinc/47/94/80/1162479480.db2.gz SOGXPBBGNKUEON-UHFFFAOYSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129842139 1162499827 /nfs/dbraw/zinc/49/98/27/1162499827.db2.gz UUEABZOHMDAUMX-CYBMUJFWSA-N 2 0 253.390 1.143 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158100265 1162720879 /nfs/dbraw/zinc/72/08/79/1162720879.db2.gz ZQDIMUXVMXSLBX-OAHLLOKOSA-N 2 0 291.439 1.370 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001753895456 1158488532 /nfs/dbraw/zinc/48/85/32/1158488532.db2.gz XYEABZZZMHVZMA-JKSUJKDBSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790788 1163047421 /nfs/dbraw/zinc/04/74/21/1163047421.db2.gz VVRDJEPTPUKTKY-CQSZACIVSA-N 2 0 265.401 1.143 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1COCCN1CCCC ZINC001131822157 1163063276 /nfs/dbraw/zinc/06/32/76/1163063276.db2.gz KGVQZTZYMWYCIE-HNNXBMFYSA-N 2 0 297.443 1.159 20 30 CDEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC000992910196 1161131722 /nfs/dbraw/zinc/13/17/22/1161131722.db2.gz TYHQDJXMYJSAMG-ARFHVFGLSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000999627529 1161420518 /nfs/dbraw/zinc/42/05/18/1161420518.db2.gz DLKBVPTWVLSYDC-UHFFFAOYSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001086697600 1163514723 /nfs/dbraw/zinc/51/47/23/1163514723.db2.gz KFDIPFMIBKHKKI-IMJJTQAJSA-N 2 0 291.439 1.389 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001133275605 1163622645 /nfs/dbraw/zinc/62/26/45/1163622645.db2.gz VEQJYTBOGGALHJ-HOTGVXAUSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133846180 1163932648 /nfs/dbraw/zinc/93/26/48/1163932648.db2.gz VLJKSHYBZVDXJZ-UONOGXRCSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134857816 1164109169 /nfs/dbraw/zinc/10/91/69/1164109169.db2.gz KBDWOQWNBOPTLY-CABCVRRESA-N 2 0 291.439 1.511 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001752955914 1167077126 /nfs/dbraw/zinc/07/71/26/1167077126.db2.gz LSECYDUBWWYVKK-MRXNPFEDSA-N 2 0 291.439 1.180 20 30 CDEDRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC001576117420 1171335083 /nfs/dbraw/zinc/33/50/83/1171335083.db2.gz OGYQWJOKOAQRCT-YNEHKIRRSA-N 2 0 251.374 1.100 20 30 CDEDRP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001717540733 1180729158 /nfs/dbraw/zinc/72/91/58/1180729158.db2.gz RJQYMYYKDUKNKK-CABCVRRESA-N 2 0 279.428 1.321 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001753334740 1183978785 /nfs/dbraw/zinc/97/87/85/1183978785.db2.gz HFEMOVFPJUFSNN-OAHLLOKOSA-N 2 0 281.444 1.733 20 30 CDEDRP CC#CC[NH2+][C@@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001752498964 1184871894 /nfs/dbraw/zinc/87/18/94/1184871894.db2.gz HWVDKDGDCZFNTE-INIZCTEOSA-N 2 0 291.439 1.370 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001753410475 1185191976 /nfs/dbraw/zinc/19/19/76/1185191976.db2.gz YEGLHJQTVOBBSC-HNNXBMFYSA-N 2 0 279.428 1.178 20 30 CDEDRP C=C(C)C[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001753510471 1185241860 /nfs/dbraw/zinc/24/18/60/1185241860.db2.gz OBFQEIMAAHPYQT-UHFFFAOYSA-N 2 0 291.439 1.677 20 30 CDEDRP C#CCC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001753678351 1185295971 /nfs/dbraw/zinc/29/59/71/1185295971.db2.gz CURKRDPFPNTSGX-UHFFFAOYSA-N 2 0 277.412 1.124 20 30 CDEDRP CC#CC[NH2+]C[C@H](C)N(C)C(=O)CCCC[NH+]1CCCC1 ZINC001753727244 1185318160 /nfs/dbraw/zinc/31/81/60/1185318160.db2.gz CJLVXTXHNQTXSI-INIZCTEOSA-N 2 0 293.455 1.712 20 30 CDEDRP C=CC[NH2+]C/C=C/CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001754194321 1185499992 /nfs/dbraw/zinc/49/99/92/1185499992.db2.gz VOAISYBLNVHBGZ-ONEGZZNKSA-N 2 0 291.439 1.556 20 30 CDEDRP C=CC[NH2+]C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001754254399 1185532774 /nfs/dbraw/zinc/53/27/74/1185532774.db2.gz ZVGACYIVJFHJTL-CQSZACIVSA-N 2 0 267.417 1.533 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001754266973 1185541063 /nfs/dbraw/zinc/54/10/63/1185541063.db2.gz QUZNVFJAKZPELT-BFHYXJOUSA-N 2 0 267.417 1.387 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001754348031 1185591192 /nfs/dbraw/zinc/59/11/92/1185591192.db2.gz DKTMXVONYLOGKJ-CABCVRRESA-N 2 0 291.439 1.226 20 30 CDEDRP C=CC[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001754452928 1185624397 /nfs/dbraw/zinc/62/43/97/1185624397.db2.gz NIFAQCQOMMPLGI-OAHLLOKOSA-N 2 0 279.428 1.389 20 30 CDEDRP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001755194787 1185848685 /nfs/dbraw/zinc/84/86/85/1185848685.db2.gz ZCKFSGYZIVKCSZ-HNNXBMFYSA-N 2 0 289.423 1.171 20 30 CDEDRP CC#CC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001755321381 1185915824 /nfs/dbraw/zinc/91/58/24/1185915824.db2.gz LPWDBBMYUYFYST-HNNXBMFYSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)C1 ZINC001755416199 1185945097 /nfs/dbraw/zinc/94/50/97/1185945097.db2.gz PKBNVUSNKQJVET-CQSZACIVSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001755498890 1185972929 /nfs/dbraw/zinc/97/29/29/1185972929.db2.gz PRMLEDCRYRSHHJ-LSDHHAIUSA-N 2 0 281.444 1.920 20 30 CDEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001755712921 1186044456 /nfs/dbraw/zinc/04/44/56/1186044456.db2.gz RVJAFPAFHKDBTO-HRCADAONSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001755743491 1186055196 /nfs/dbraw/zinc/05/51/96/1186055196.db2.gz JFEZPNYGDASHNJ-CABCVRRESA-N 2 0 291.439 1.226 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133690064 1163854127 /nfs/dbraw/zinc/85/41/27/1163854127.db2.gz HIWLEBXJUYHHEG-ZDUSSCGKSA-N 2 0 255.406 1.389 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135706354 1164169267 /nfs/dbraw/zinc/16/92/67/1164169267.db2.gz SUCPSIMQCBAEGT-ZIAGYGMSSA-N 2 0 267.417 1.224 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001000080472 730440776 /nfs/dbraw/zinc/44/07/76/730440776.db2.gz GKULLZUHYHZTQZ-CQSZACIVSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001039386977 730455839 /nfs/dbraw/zinc/45/58/39/730455839.db2.gz MYFDWRRIRZPWHK-PMPSAXMXSA-N 2 0 291.439 1.578 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2ccnc2C)[C@@H]1C ZINC000994419502 730462435 /nfs/dbraw/zinc/46/24/35/730462435.db2.gz IRFHNLUMLWRPPL-DZGCQCFKSA-N 2 0 288.395 1.184 20 30 CDEDRP N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000723703514 730549330 /nfs/dbraw/zinc/54/93/30/730549330.db2.gz PXOCODKQUDWQLZ-ZFWWWQNUSA-N 2 0 259.353 1.262 20 30 CDEDRP NC(=[NH2+])N=NC1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000834939267 730706990 /nfs/dbraw/zinc/70/69/90/730706990.db2.gz WSOKGVFGTQDKNV-ZFWWWQNUSA-N 2 0 285.395 1.900 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001027942719 730920949 /nfs/dbraw/zinc/92/09/49/730920949.db2.gz IKXMPBURIYVRJF-BFHYXJOUSA-N 2 0 288.395 1.670 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014469667 730949991 /nfs/dbraw/zinc/94/99/91/730949991.db2.gz SRPXUFQIQRGNOJ-CVEARBPZSA-N 2 0 291.439 1.485 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001024447027 730951163 /nfs/dbraw/zinc/95/11/63/730951163.db2.gz OVZDPXUOGSWVLM-BZUAXINKSA-N 2 0 291.439 1.321 20 30 CDEDRP C[C@H](C[NH2+][C@H](C)CC(C)(C)C#N)CN1CC[NH+](C)CC1 ZINC000924952695 731011953 /nfs/dbraw/zinc/01/19/53/731011953.db2.gz YQNSYJNTEPSDES-HUUCEWRRSA-N 2 0 280.460 1.788 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000928654789 731124199 /nfs/dbraw/zinc/12/41/99/731124199.db2.gz DJZSRBULUKHJDJ-OKILXGFUSA-N 2 0 277.412 1.073 20 30 CDEDRP C[C@H](C#N)OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000381068874 731236209 /nfs/dbraw/zinc/23/62/09/731236209.db2.gz AUOYTMOHMOAZCD-MGPQQGTHSA-N 2 0 251.374 1.331 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879592575 731240562 /nfs/dbraw/zinc/24/05/62/731240562.db2.gz LXTJVIQPZULQPO-INIZCTEOSA-N 2 0 281.444 1.025 20 30 CDEDRP CC(C)CNC(=[NH2+])NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000261993872 731252912 /nfs/dbraw/zinc/25/29/12/731252912.db2.gz NDTNVBDGYOMQGZ-OLZOCXBDSA-N 2 0 254.422 1.667 20 30 CDEDRP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001046569961 731341244 /nfs/dbraw/zinc/34/12/44/731341244.db2.gz RXFPZWAVCOKEGK-YQQAZPJKSA-N 2 0 293.455 1.873 20 30 CDEDRP C[NH+]=C(NC[C@]1(C)CCOC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261704635 731341974 /nfs/dbraw/zinc/34/19/74/731341974.db2.gz GNIJJDKEMLBMDF-XPKDYRNWSA-N 2 0 294.443 1.061 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014454182 731352874 /nfs/dbraw/zinc/35/28/74/731352874.db2.gz HEEPZKHMHPWPTE-HUUCEWRRSA-N 2 0 277.412 1.095 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001007518773 731384695 /nfs/dbraw/zinc/38/46/95/731384695.db2.gz DKNVCGMKCDIFBB-CVEARBPZSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CCC[C@H](O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000923384247 731429535 /nfs/dbraw/zinc/42/95/35/731429535.db2.gz VJKFLSWRMDAKBV-KGLIPLIRSA-N 2 0 252.402 1.778 20 30 CDEDRP C=CC[N@@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034487559 731499370 /nfs/dbraw/zinc/49/93/70/731499370.db2.gz OOHRGDAKNSXRQH-CQSZACIVSA-N 2 0 277.412 1.239 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001044857845 731581781 /nfs/dbraw/zinc/58/17/81/731581781.db2.gz OHLGFYCYFHAHOV-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H](CC(C)C)[NH2+]C)CC1 ZINC000884213946 731651854 /nfs/dbraw/zinc/65/18/54/731651854.db2.gz PZFVOTBJTOWWDU-AWEZNQCLSA-N 2 0 267.417 1.387 20 30 CDEDRP C=CC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]2C1 ZINC001049058388 731682192 /nfs/dbraw/zinc/68/21/92/731682192.db2.gz XSWCHTIWPYTATF-KFWWJZLASA-N 2 0 277.412 1.047 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCF ZINC001027944087 731687586 /nfs/dbraw/zinc/68/75/86/731687586.db2.gz TVHMYABWQILDHX-CABCVRRESA-N 2 0 295.402 1.024 20 30 CDEDRP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001054240300 731705385 /nfs/dbraw/zinc/70/53/85/731705385.db2.gz RZQHJDOCQDZCPB-QGZVFWFLSA-N 2 0 291.439 1.583 20 30 CDEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000843340480 731816399 /nfs/dbraw/zinc/81/63/99/731816399.db2.gz QKEYKYSJPFESKP-MGPQQGTHSA-N 2 0 256.353 1.431 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001000194508 731834307 /nfs/dbraw/zinc/83/43/07/731834307.db2.gz VUWCTIAIYGCPDF-GXTWGEPZSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC000996665372 731865641 /nfs/dbraw/zinc/86/56/41/731865641.db2.gz BSMCQXGGLSKLAS-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000923374623 731872120 /nfs/dbraw/zinc/87/21/20/731872120.db2.gz BUFXBIBPEVMREZ-JYJNAYRXSA-N 2 0 282.428 1.532 20 30 CDEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031980415 731888034 /nfs/dbraw/zinc/88/80/34/731888034.db2.gz PZRKQTDFLLKVOH-DZGCQCFKSA-N 2 0 279.428 1.198 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001033423303 731923019 /nfs/dbraw/zinc/92/30/19/731923019.db2.gz MJTYJPFWRAQSSL-LSDHHAIUSA-N 2 0 279.428 1.580 20 30 CDEDRP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001027918055 731929167 /nfs/dbraw/zinc/92/91/67/731929167.db2.gz IUWKXLSROSMARG-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001000102472 731981317 /nfs/dbraw/zinc/98/13/17/731981317.db2.gz URMGGXVUAFKBJB-OAHLLOKOSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC=C ZINC001024486777 732035327 /nfs/dbraw/zinc/03/53/27/732035327.db2.gz IJZHJFSOMYBOND-CVEARBPZSA-N 2 0 289.423 1.241 20 30 CDEDRP C#CCN1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000989734727 732057302 /nfs/dbraw/zinc/05/73/02/732057302.db2.gz AODFVCFOKDLKOM-OAHLLOKOSA-N 2 0 277.412 1.028 20 30 CDEDRP C[NH+]1CCC(CCNC(=[NH2+])N2CCCCCC2)CC1 ZINC000305077995 732076929 /nfs/dbraw/zinc/07/69/29/732076929.db2.gz RCFYUXRSPMVMHD-UHFFFAOYSA-N 2 0 266.433 1.909 20 30 CDEDRP C=CC[N@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034431776 732167119 /nfs/dbraw/zinc/16/71/19/732167119.db2.gz OFWVXHYFZLKCGA-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NC[C@]1(C)CCCS1 ZINC000261973864 732168284 /nfs/dbraw/zinc/16/82/84/732168284.db2.gz NHEUIXBAEUGTIU-ZFWWWQNUSA-N 2 0 298.500 1.779 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccnc1C ZINC001032784244 732195662 /nfs/dbraw/zinc/19/56/62/732195662.db2.gz OGPZZDYAUAVVBE-KBPBESRZSA-N 2 0 274.368 1.053 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031668825 732233834 /nfs/dbraw/zinc/23/38/34/732233834.db2.gz PSSMHHLEEMIYHT-HZPDHXFCSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@@H](C)C[NH+]1CCCCC1 ZINC000303882853 732239679 /nfs/dbraw/zinc/23/96/79/732239679.db2.gz LXGRAZGKHVVTRM-CYBMUJFWSA-N 2 0 252.406 1.589 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993762751 732262947 /nfs/dbraw/zinc/26/29/47/732262947.db2.gz RJCNTQCCWKJAFJ-UKRRQHHQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(Cl)CN1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001033772606 732267293 /nfs/dbraw/zinc/26/72/93/732267293.db2.gz AKVDBSIOCJDPFA-ZIAGYGMSSA-N 2 0 299.846 1.756 20 30 CDEDRP C=CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001046314512 732355165 /nfs/dbraw/zinc/35/51/65/732355165.db2.gz CBYKPGXIAYTENO-ZBFHGGJFSA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001036294518 732369359 /nfs/dbraw/zinc/36/93/59/732369359.db2.gz RWVLOCARUMXZLG-TZMCWYRMSA-N 2 0 299.846 1.661 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001039471152 732399500 /nfs/dbraw/zinc/39/95/00/732399500.db2.gz KDGUMDZCDLGHFE-OAGGEKHMSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CC(C)(C)CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000878969100 732403842 /nfs/dbraw/zinc/40/38/42/732403842.db2.gz KJSYWZWNBCHRLK-UHFFFAOYSA-N 2 0 269.433 1.541 20 30 CDEDRP CNC(NCc1ccc(OCC[NH+]2CCCC2)cc1)=[NH+]C ZINC000849008187 732421237 /nfs/dbraw/zinc/42/12/37/732421237.db2.gz XBPQATMYRYQQJO-UHFFFAOYSA-N 2 0 290.411 1.456 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000837009569 732508399 /nfs/dbraw/zinc/50/83/99/732508399.db2.gz YIORYPHCUUNYEH-GJZGRUSLSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001024366357 732583316 /nfs/dbraw/zinc/58/33/16/732583316.db2.gz QUBPTEWVIRKPHT-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046451279 732748621 /nfs/dbraw/zinc/74/86/21/732748621.db2.gz ZOFZOEJYNISZAK-QGZVFWFLSA-N 2 0 296.374 1.552 20 30 CDEDRP C[C@H](C#N)OCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000381068872 732773896 /nfs/dbraw/zinc/77/38/96/732773896.db2.gz AUOYTMOHMOAZCD-MCIONIFRSA-N 2 0 251.374 1.331 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC000986352528 732795443 /nfs/dbraw/zinc/79/54/43/732795443.db2.gz HJJGZLFVKONQBD-ZFWWWQNUSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023490306 732814868 /nfs/dbraw/zinc/81/48/68/732814868.db2.gz WZMRLKCPKUJWKL-AWEZNQCLSA-N 2 0 296.374 1.409 20 30 CDEDRP C#CCC[NH+]1CCCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000989728165 732830636 /nfs/dbraw/zinc/83/06/36/732830636.db2.gz CZVSQWJOBHTPSU-IYBDPMFKSA-N 2 0 291.439 1.417 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000813519952 732844592 /nfs/dbraw/zinc/84/45/92/732844592.db2.gz CFLIWAOLQAOEDC-HOCLYGCPSA-N 2 0 289.423 1.912 20 30 CDEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000985328838 732874448 /nfs/dbraw/zinc/87/44/48/732874448.db2.gz YNSZJZFKXNUFRR-AWEZNQCLSA-N 2 0 299.846 1.756 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001001469790 732892801 /nfs/dbraw/zinc/89/28/01/732892801.db2.gz ZLKDUKKNXAJOBC-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)NC1CC1 ZINC000849023156 732935400 /nfs/dbraw/zinc/93/54/00/732935400.db2.gz QLEYHGFEDKKYEJ-ZDUSSCGKSA-N 2 0 250.390 1.331 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033079913 733016258 /nfs/dbraw/zinc/01/62/58/733016258.db2.gz ADQIMHBYDBUIAS-HOTGVXAUSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024759836 733047766 /nfs/dbraw/zinc/04/77/66/733047766.db2.gz LGPJONJMVYBFDE-OAHLLOKOSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001026283890 733056254 /nfs/dbraw/zinc/05/62/54/733056254.db2.gz MXDKKUDCJGXFJF-SOUVJXGZSA-N 2 0 291.439 1.483 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028539205 733062628 /nfs/dbraw/zinc/06/26/28/733062628.db2.gz QMBRCJDUMIYCQX-ZBFHGGJFSA-N 2 0 291.439 1.342 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001215977030 1167369807 /nfs/dbraw/zinc/36/98/07/1167369807.db2.gz BWQOBTGIJPEOEI-OAGGEKHMSA-N 2 0 293.455 1.423 20 30 CDEDRP N#Cc1csc(C[NH2+]CC[C@@H]2CCC[NH2+]CC2)n1 ZINC001580081749 1167709537 /nfs/dbraw/zinc/70/95/37/1167709537.db2.gz QTUVIUGAEMSVDU-LLVKDONJSA-N 2 0 264.398 1.884 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[C@H]([NH3+])C(C)(C)C)CC1 ZINC001121919795 913238492 /nfs/dbraw/zinc/23/84/92/913238492.db2.gz GEZDHPLBRKCQKX-ZDUSSCGKSA-N 2 0 267.417 1.517 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175874104 913839908 /nfs/dbraw/zinc/83/99/08/913839908.db2.gz PKTUEZSVNCRMJA-MRXNPFEDSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001020590175 894374889 /nfs/dbraw/zinc/37/48/89/894374889.db2.gz OHLCXXSUZABJJP-XJKCOSOUSA-N 2 0 297.418 1.622 20 30 CDEDRP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001282486945 894457495 /nfs/dbraw/zinc/45/74/95/894457495.db2.gz RUKAPZOEYZNPNJ-QWHCGFSZSA-N 2 0 255.406 1.195 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001104346464 895877588 /nfs/dbraw/zinc/87/75/88/895877588.db2.gz CGVNQGZWNHLKMG-RBSFLKMASA-N 2 0 279.428 1.034 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001022973384 897230302 /nfs/dbraw/zinc/23/03/02/897230302.db2.gz IVCAFCWEVZVGGP-UPJWGTAASA-N 2 0 285.819 1.318 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023377190 897535099 /nfs/dbraw/zinc/53/50/99/897535099.db2.gz HANIWGLCBVIYPS-OWCLPIDISA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001167783659 900581527 /nfs/dbraw/zinc/58/15/27/900581527.db2.gz BDRIIUFIQXLYQJ-UHFFFAOYSA-N 2 0 279.428 1.228 20 30 CDEDRP N#Cc1c[nH]c2cc(NC(=[NH2+])NCCCC[NH3+])ccc12 ZINC001167881932 901638080 /nfs/dbraw/zinc/63/80/80/901638080.db2.gz MYEUGHPBXKYVJW-UHFFFAOYSA-N 2 0 270.340 1.715 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001482058469 902569504 /nfs/dbraw/zinc/56/95/04/902569504.db2.gz GNUBQUPHFNPEHO-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845914 904254507 /nfs/dbraw/zinc/25/45/07/904254507.db2.gz TUQOVLQYDCRRBJ-JKSUJKDBSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001029001695 904592618 /nfs/dbraw/zinc/59/26/18/904592618.db2.gz BIYPBKAUTRAVBE-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000989683790 908967405 /nfs/dbraw/zinc/96/74/05/908967405.db2.gz SAEKOSRZQRKUDU-QWHCGFSZSA-N 2 0 297.830 1.414 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001101036557 909331005 /nfs/dbraw/zinc/33/10/05/909331005.db2.gz TWABETSMENIQDW-UYSNPLJNSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1C ZINC001088817874 909620893 /nfs/dbraw/zinc/62/08/93/909620893.db2.gz LTTHRRIJOVDRDT-FZKCQIBNSA-N 2 0 293.455 1.872 20 30 CDEDRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001120483566 911977686 /nfs/dbraw/zinc/97/76/86/911977686.db2.gz ABWROXFGLAALIW-UONOGXRCSA-N 2 0 267.417 1.607 20 30 CDEDRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC001120483562 911980247 /nfs/dbraw/zinc/98/02/47/911980247.db2.gz ABWROXFGLAALIW-KGLIPLIRSA-N 2 0 267.417 1.607 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001178522626 915479254 /nfs/dbraw/zinc/47/92/54/915479254.db2.gz NCIDQONMKPJPTH-HZPDHXFCSA-N 2 0 293.455 1.616 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001178755021 915616212 /nfs/dbraw/zinc/61/62/12/915616212.db2.gz JEBXTRVRCJXRLN-INIZCTEOSA-N 2 0 295.471 1.862 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981047 917617322 /nfs/dbraw/zinc/61/73/22/917617322.db2.gz FLAXKRHMKNDEPL-QLFBSQMISA-N 2 0 279.428 1.198 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000996673253 918358930 /nfs/dbraw/zinc/35/89/30/918358930.db2.gz UQHAWULHMYMJLA-UHFFFAOYSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001183392008 918466409 /nfs/dbraw/zinc/46/64/09/918466409.db2.gz VMLYHEFJIYBWRB-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001000690001 936538032 /nfs/dbraw/zinc/53/80/32/936538032.db2.gz QUMZUSLGGCLLGU-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001184585874 919202414 /nfs/dbraw/zinc/20/24/14/919202414.db2.gz YIKSBNCPTRUVQM-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001185650845 919691031 /nfs/dbraw/zinc/69/10/31/919691031.db2.gz PASKUBDMHOFKLE-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073126075 936717492 /nfs/dbraw/zinc/71/74/92/936717492.db2.gz VAOMGJKJYGHZNX-CQSZACIVSA-N 2 0 277.412 1.049 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190949192 922298923 /nfs/dbraw/zinc/29/89/23/922298923.db2.gz YZNVWURXWQTMIX-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128786856 922434477 /nfs/dbraw/zinc/43/44/77/922434477.db2.gz XEUGMOOCXHLFHH-ZDUSSCGKSA-N 2 0 253.390 1.143 20 30 CDEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001192198998 922942446 /nfs/dbraw/zinc/94/24/46/922942446.db2.gz XIMOPDKQHAZNQD-LSDHHAIUSA-N 2 0 279.428 1.129 20 30 CDEDRP C#CCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192407121 923084251 /nfs/dbraw/zinc/08/42/51/923084251.db2.gz RQCWJIJEJDLXFS-HNNXBMFYSA-N 2 0 293.455 1.520 20 30 CDEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001193027735 923419136 /nfs/dbraw/zinc/41/91/36/923419136.db2.gz RSHBUEKRSVQHMK-MRXNPFEDSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001005877547 923475688 /nfs/dbraw/zinc/47/56/88/923475688.db2.gz PQCUCDNUIFUDLY-GJZGRUSLSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001080448764 924561929 /nfs/dbraw/zinc/56/19/29/924561929.db2.gz BOPSIGZCKLZRBI-ARFHVFGLSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001080455887 924575520 /nfs/dbraw/zinc/57/55/20/924575520.db2.gz BQTJFQYSBOZVAR-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001084429010 925247546 /nfs/dbraw/zinc/24/75/46/925247546.db2.gz GSFZFNYZVKXWAJ-OAGGEKHMSA-N 2 0 293.455 1.681 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084775904 925420286 /nfs/dbraw/zinc/42/02/86/925420286.db2.gz YSENJZOIZMIUCH-ARFHVFGLSA-N 2 0 291.439 1.437 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001152485231 925489345 /nfs/dbraw/zinc/48/93/45/925489345.db2.gz CFWHGMBJHYKYOZ-HNNXBMFYSA-N 2 0 279.428 1.226 20 30 CDEDRP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@H]21 ZINC001084973283 925532937 /nfs/dbraw/zinc/53/29/37/925532937.db2.gz FJBRFFVSHDDAEO-OAGGEKHMSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085597834 926198545 /nfs/dbraw/zinc/19/85/45/926198545.db2.gz GYKIGEWKLDXZBQ-HZPDHXFCSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCCO1 ZINC001202164424 926485218 /nfs/dbraw/zinc/48/52/18/926485218.db2.gz MOBAVPFFSCDWPM-HNNXBMFYSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110662815 927989873 /nfs/dbraw/zinc/98/98/73/927989873.db2.gz QVGYHVGWWNMWIT-APIJFGDWSA-N 2 0 277.412 1.234 20 30 CDEDRP C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001109360946 928892214 /nfs/dbraw/zinc/89/22/14/928892214.db2.gz HVHOXCOOJQBEDI-KBXIAJHMSA-N 2 0 295.402 1.021 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001202504300 929145413 /nfs/dbraw/zinc/14/54/13/929145413.db2.gz SODUMGJQESQFBM-ZBFHGGJFSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001112578194 929199522 /nfs/dbraw/zinc/19/95/22/929199522.db2.gz CJSWBYBAJRJLAW-ZOBUZTSGSA-N 2 0 291.439 1.342 20 30 CDEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001115304992 937346367 /nfs/dbraw/zinc/34/63/67/937346367.db2.gz YNYVVEMSYWAJCE-FOLVSLTJSA-N 2 0 279.428 1.339 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)c1ccccc1C[NH+](C)C ZINC001152394019 937358998 /nfs/dbraw/zinc/35/89/98/937358998.db2.gz WSKMMDZFLYSCAN-UHFFFAOYSA-N 2 0 273.380 1.091 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134767373 929890457 /nfs/dbraw/zinc/89/04/57/929890457.db2.gz XBTDXELEYNONBB-OAHLLOKOSA-N 2 0 281.444 1.921 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773732 929893483 /nfs/dbraw/zinc/89/34/83/929893483.db2.gz RAXRHYURNQMRDM-OLZOCXBDSA-N 2 0 267.417 1.223 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135080950 930041151 /nfs/dbraw/zinc/04/11/51/930041151.db2.gz DTWTWNIUQGZSNM-CABCVRRESA-N 2 0 293.455 1.757 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1ccc(Cl)nc1 ZINC000883131266 930148098 /nfs/dbraw/zinc/14/80/98/930148098.db2.gz SMYNZVPLTITQSC-UHFFFAOYSA-N 2 0 251.761 1.780 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135378890 930178217 /nfs/dbraw/zinc/17/82/17/930178217.db2.gz NHHFQIWYSHJJAF-RYUDHWBXSA-N 2 0 275.824 1.564 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135481351 930218553 /nfs/dbraw/zinc/21/85/53/930218553.db2.gz UAUBLWLXNNBKES-GJZGRUSLSA-N 2 0 295.471 1.861 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135882982 930503055 /nfs/dbraw/zinc/50/30/55/930503055.db2.gz WVKLTKHRTSZMDE-QWHCGFSZSA-N 2 0 255.406 1.387 20 30 CDEDRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1C#N ZINC000817915527 930629697 /nfs/dbraw/zinc/62/96/97/930629697.db2.gz NTGZETZLXKYWRC-GXTWGEPZSA-N 2 0 259.353 1.784 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153880077 937479612 /nfs/dbraw/zinc/47/96/12/937479612.db2.gz WQIIYSGIEXXALJ-HZPDHXFCSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001274962700 931617121 /nfs/dbraw/zinc/61/71/21/931617121.db2.gz SGRUGYMPULOQGI-KBPBESRZSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171174749 931799614 /nfs/dbraw/zinc/79/96/14/931799614.db2.gz PELWPDBHTMYVAI-LSDHHAIUSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171176356 931807524 /nfs/dbraw/zinc/80/75/24/931807524.db2.gz YKXIGFYEUYJXGU-CABCVRRESA-N 2 0 279.428 1.226 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171254543 932144847 /nfs/dbraw/zinc/14/48/47/932144847.db2.gz TZWOEUGHIIBSST-OAHLLOKOSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147834227 932615805 /nfs/dbraw/zinc/61/58/05/932615805.db2.gz FYAQLVCQKHGKEA-LSDHHAIUSA-N 2 0 281.444 1.779 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001171354929 932857489 /nfs/dbraw/zinc/85/74/89/932857489.db2.gz SFNOPYOUJPUFIS-UHFFFAOYSA-N 2 0 276.384 1.433 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155791342 937674545 /nfs/dbraw/zinc/67/45/45/937674545.db2.gz WIYYEJWHERTZQJ-KGLIPLIRSA-N 2 0 267.417 1.531 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114745723 934951243 /nfs/dbraw/zinc/95/12/43/934951243.db2.gz FGNBFHJNCJIENF-FICVDOATSA-N 2 0 291.439 1.341 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001008535599 935405300 /nfs/dbraw/zinc/40/53/00/935405300.db2.gz UKAXOUSJOBHPIX-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001048897605 936087802 /nfs/dbraw/zinc/08/78/02/936087802.db2.gz ZTUGPQJBCKMLAH-XHSDSOJGSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CC[NH2+]CC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001121997947 937897838 /nfs/dbraw/zinc/89/78/38/937897838.db2.gz LILWVEDBWVKKDU-CQSZACIVSA-N 2 0 287.407 1.455 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC001122426649 937931270 /nfs/dbraw/zinc/93/12/70/937931270.db2.gz LGAFKUQAVMLDFM-SRVKXCTJSA-N 2 0 251.374 1.056 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001159911364 938759626 /nfs/dbraw/zinc/75/96/26/938759626.db2.gz XHKJFRWNQBLIBA-INIZCTEOSA-N 2 0 291.439 1.513 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001162316480 939022614 /nfs/dbraw/zinc/02/26/14/939022614.db2.gz CDOLODTXFXNDPV-UHFFFAOYSA-N 2 0 297.362 1.000 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001162611895 939102675 /nfs/dbraw/zinc/10/26/75/939102675.db2.gz UEVOSBNQXLXNDO-UHFFFAOYSA-N 2 0 258.325 1.230 20 30 CDEDRP N#CCc1cc(N[C@@H]2C[NH2+]Cc3ccsc32)cc[nH+]1 ZINC001163231644 939230012 /nfs/dbraw/zinc/23/00/12/939230012.db2.gz XVIRTAZDERVKRC-CYBMUJFWSA-N 2 0 270.361 1.887 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001165776810 939577255 /nfs/dbraw/zinc/57/72/55/939577255.db2.gz ULHZHZIJFMKBJY-HNNXBMFYSA-N 2 0 293.455 1.923 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166004795 939590079 /nfs/dbraw/zinc/59/00/79/939590079.db2.gz YGHBMUJWCVJCIY-GFCCVEGCSA-N 2 0 275.824 1.421 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203698781 939700812 /nfs/dbraw/zinc/70/08/12/939700812.db2.gz AKQYHWGTILYWEY-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203793677 939705148 /nfs/dbraw/zinc/70/51/48/939705148.db2.gz SSNWIXXDMJXIRV-CABCVRRESA-N 2 0 291.439 1.367 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001205420489 939888996 /nfs/dbraw/zinc/88/89/96/939888996.db2.gz WYIVEWQSGJAIGN-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001208278873 940314011 /nfs/dbraw/zinc/31/40/11/940314011.db2.gz CDGOEYFJDKIMIH-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001208424217 940330330 /nfs/dbraw/zinc/33/03/30/940330330.db2.gz WEDOPAWSCFHDLR-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208647229 940364730 /nfs/dbraw/zinc/36/47/30/940364730.db2.gz YYSKLKBCSJEGRS-HUUCEWRRSA-N 2 0 293.455 1.424 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209302956 940457317 /nfs/dbraw/zinc/45/73/17/940457317.db2.gz HNKSEMIVGFHJMV-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001211257002 940742647 /nfs/dbraw/zinc/74/26/47/940742647.db2.gz OAFMBFCYGQLYIG-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000402139618 940889432 /nfs/dbraw/zinc/88/94/32/940889432.db2.gz IILGKTZEPKWGHM-NILFDRSVSA-N 2 0 259.353 1.261 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216225268 940929120 /nfs/dbraw/zinc/92/91/20/940929120.db2.gz CZNPBJVTSHXOHW-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)N[C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001220162729 941418711 /nfs/dbraw/zinc/41/87/11/941418711.db2.gz LINPRWRECKSJGS-BPUTZDHNSA-N 2 0 277.412 1.333 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(C(C)C)CCC[NH2+]C1 ZINC001220868110 941479144 /nfs/dbraw/zinc/47/91/44/941479144.db2.gz BMXHLEXNXBUTQP-DOTOQJQBSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CCCCCC[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492097 941601962 /nfs/dbraw/zinc/60/19/62/941601962.db2.gz OESOZEXLLBSZLP-GJZGRUSLSA-N 2 0 251.418 1.759 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)C[NH+](CC)CC)CC1 ZINC001224911316 941804521 /nfs/dbraw/zinc/80/45/21/941804521.db2.gz LHEGIWIINYQCRB-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230280220 942600449 /nfs/dbraw/zinc/60/04/49/942600449.db2.gz QSOPKPUEHDLTLX-ZIAGYGMSSA-N 2 0 267.417 1.530 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC001263158736 943768081 /nfs/dbraw/zinc/76/80/81/943768081.db2.gz JOWFFAIYZCPDHS-FRRDWIJNSA-N 2 0 253.390 1.256 20 30 CDEDRP CC#CCN1CC[C@@H]1CN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001234642023 943924530 /nfs/dbraw/zinc/92/45/30/943924530.db2.gz GJWPHOKHVZJKJE-CABCVRRESA-N 2 0 297.418 1.222 20 30 CDEDRP CCCCCCCC[C@@H](O)C[NH2+][C@@H](C)CN1CC[NH2+]CC1 ZINC001245975503 947873061 /nfs/dbraw/zinc/87/30/61/947873061.db2.gz QOXNLPFFNZAPPY-DLBZAZTESA-N 2 0 299.503 1.981 20 30 CDEDRP N#C[C@@H]1C[C@@H]([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246133230 947978208 /nfs/dbraw/zinc/97/82/08/947978208.db2.gz UPYOOPRUNAIFKU-IHRRRGAJSA-N 2 0 262.401 1.142 20 30 CDEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2CCC[NH2+]CC2)cc1 ZINC001246304760 948094746 /nfs/dbraw/zinc/09/47/46/948094746.db2.gz LIBCHZXQZYAVQL-CYBMUJFWSA-N 2 0 275.352 1.321 20 30 CDEDRP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(C#N)cc2)CC[NH2+]1 ZINC001246332120 948110484 /nfs/dbraw/zinc/11/04/84/948110484.db2.gz ZLGYPBFZYIKFAY-OCCSQVGLSA-N 2 0 259.353 1.667 20 30 CDEDRP C=CC[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246486608 948201714 /nfs/dbraw/zinc/20/17/14/948201714.db2.gz DHDCXFZPDOJQNF-JKSUJKDBSA-N 2 0 271.408 1.987 20 30 CDEDRP C[C@@H](CC#N)[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256681174 948393672 /nfs/dbraw/zinc/39/36/72/948393672.db2.gz MUASSQMBZPAHEC-HSBZDZAISA-N 2 0 251.374 1.522 20 30 CDEDRP C=CCC[C@@H](C)[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246853968 948478346 /nfs/dbraw/zinc/47/83/46/948478346.db2.gz AQSDYIIWACWZBW-IIAWOOMASA-N 2 0 280.412 1.816 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]CCc1ccc(C[NH+](C)C)cc1 ZINC001252489167 951358118 /nfs/dbraw/zinc/35/81/18/951358118.db2.gz XNQUGZKVACSMNZ-QGZVFWFLSA-N 2 0 292.423 1.444 20 30 CDEDRP C=C[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001253576800 951962714 /nfs/dbraw/zinc/96/27/14/951962714.db2.gz HUMAHFQQKOTQJU-KSZLIROESA-N 2 0 286.419 1.906 20 30 CDEDRP C#CC[C@H](CCOC)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001335330187 959719074 /nfs/dbraw/zinc/71/90/74/959719074.db2.gz RFAKCOMJMYBLSR-QLFBSQMISA-N 2 0 250.386 1.631 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC001340185658 962801184 /nfs/dbraw/zinc/80/11/84/962801184.db2.gz VYHKHWHJYAWGJV-CHWSQXEVSA-N 2 0 253.390 1.126 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)C[NH+](CC)CC ZINC001353507301 968027133 /nfs/dbraw/zinc/02/71/33/968027133.db2.gz BAYOSZXUAMSBAV-OLZOCXBDSA-N 2 0 255.406 1.517 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001100335148 968046387 /nfs/dbraw/zinc/04/63/87/968046387.db2.gz MDWQGYMWJLOVSJ-UHFFFAOYSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001495560450 972538150 /nfs/dbraw/zinc/53/81/50/972538150.db2.gz KCFGZCFLVWQYIH-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001502390413 974732620 /nfs/dbraw/zinc/73/26/20/974732620.db2.gz CTXLQNFYXNRHDP-AWEZNQCLSA-N 2 0 269.433 1.683 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001390591550 976379192 /nfs/dbraw/zinc/37/91/92/976379192.db2.gz LEGBPHBJLRKZNZ-ZDUSSCGKSA-N 2 0 299.846 1.519 20 30 CDEDRP C=CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132410223 1163278275 /nfs/dbraw/zinc/27/82/75/1163278275.db2.gz KIZILYKQYUATLC-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)C[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132410296 1163278037 /nfs/dbraw/zinc/27/80/37/1163278037.db2.gz LHJDVCDISJJKNR-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790706 1163479561 /nfs/dbraw/zinc/47/95/61/1163479561.db2.gz JOQGMCXTHHAZRE-INIZCTEOSA-N 2 0 291.439 1.513 20 30 CDEDRP N#C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000442765387 362088591 /nfs/dbraw/zinc/08/85/91/362088591.db2.gz JKUUMHCNPJDBRB-IJEWVQPXSA-N 2 0 277.412 1.769 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595935172 343192474 /nfs/dbraw/zinc/19/24/74/343192474.db2.gz AQKFQAUCBQZPLT-CABCVRRESA-N 2 0 292.427 1.246 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)o1 ZINC000600769263 349879530 /nfs/dbraw/zinc/87/95/30/349879530.db2.gz KYMQTZCXHXWJCE-CYBMUJFWSA-N 2 0 259.353 1.973 20 30 CDEDRP C[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C[NH+]1CCCC1 ZINC000598719412 343883285 /nfs/dbraw/zinc/88/32/85/343883285.db2.gz HXPHIBTVEFWYNK-KBPBESRZSA-N 2 0 267.417 1.609 20 30 CDEDRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598728197 343886651 /nfs/dbraw/zinc/88/66/51/343886651.db2.gz OTNRLQKVPZPQGI-KGLIPLIRSA-N 2 0 267.417 1.609 20 30 CDEDRP C[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@@H]1CC[NH+](C)C1 ZINC000598701690 343889818 /nfs/dbraw/zinc/88/98/18/343889818.db2.gz NIPYDHLDKXTBDV-CHWSQXEVSA-N 2 0 253.390 1.171 20 30 CDEDRP C[NH+](C)CCN1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000174262974 348487059 /nfs/dbraw/zinc/48/70/59/348487059.db2.gz GOAZAUJVNDBVPX-UHFFFAOYSA-N 2 0 280.460 1.932 20 30 CDEDRP CCNC(=[NH2+])NCc1ccc(C[NH+](CC)CC)cc1 ZINC000264085652 362963014 /nfs/dbraw/zinc/96/30/14/362963014.db2.gz JOSWJNUZKHUYPH-UHFFFAOYSA-N 2 0 262.401 1.953 20 30 CDEDRP [NH2+]=C(NCCCC[NH+]1CCOCC1)Nc1ccccc1 ZINC000264109294 362969105 /nfs/dbraw/zinc/96/91/05/362969105.db2.gz QGZJPEJSSLHOBA-UHFFFAOYSA-N 2 0 276.384 1.526 20 30 CDEDRP C[C@@H](CCNC(=[NH2+])N(C)C)[N@H+](C)Cc1ccccc1 ZINC000083052653 358201288 /nfs/dbraw/zinc/20/12/88/358201288.db2.gz IYXCXJYCXJJZID-ZDUSSCGKSA-N 2 0 262.401 1.773 20 30 CDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639232385 359172042 /nfs/dbraw/zinc/17/20/42/359172042.db2.gz HHBJDTMYDUXPOG-CABCVRRESA-N 2 0 282.428 1.545 20 30 CDEDRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000176989090 189019438 /nfs/dbraw/zinc/01/94/38/189019438.db2.gz OJMPYNSLTSQKCO-UHFFFAOYSA-N 2 0 292.452 1.735 20 30 CDEDRP C[C@H](C(=O)NC1(C#N)CCC1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000562300118 361236022 /nfs/dbraw/zinc/23/60/22/361236022.db2.gz FWXLBSNHJLUZQW-ZIAGYGMSSA-N 2 0 292.427 1.211 20 30 CDEDRP COc1ccc(NC(=[NH2+])NCC[NH+]2CCCC2)cc1 ZINC000170907731 365159463 /nfs/dbraw/zinc/15/94/63/365159463.db2.gz MNUKMPDKFUVYEB-UHFFFAOYSA-N 2 0 262.357 1.518 20 30 CDEDRP C=CCC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130698946 368903519 /nfs/dbraw/zinc/90/35/19/368903519.db2.gz UGWCACGDHBXNGE-UHFFFAOYSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CC[NH+]1CCC(NCc2c(Cl)cnn2C)CC1 ZINC000189168950 373269419 /nfs/dbraw/zinc/26/94/19/373269419.db2.gz MOZKWEOKTDKQRB-UHFFFAOYSA-N 2 0 268.792 1.814 20 30 CDEDRP C=CCN1CC[C@@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)C1=O ZINC000420331218 376328105 /nfs/dbraw/zinc/32/81/05/376328105.db2.gz DJYDCTOQWBMQIM-HUUCEWRRSA-N 2 0 277.412 1.237 20 30 CDEDRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000248831076 377331115 /nfs/dbraw/zinc/33/11/15/377331115.db2.gz MMEFEGZBEXABCN-CVEARBPZSA-N 2 0 278.444 1.686 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417534272 377875296 /nfs/dbraw/zinc/87/52/96/377875296.db2.gz VVZWDBTZFKKDMN-UONOGXRCSA-N 2 0 294.443 1.454 20 30 CDEDRP C=CCN(CC=C)C(=O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293110812 378538322 /nfs/dbraw/zinc/53/83/22/378538322.db2.gz YMSYWUNBRYKEBL-QGZVFWFLSA-N 2 0 291.439 1.605 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000343694469 378949496 /nfs/dbraw/zinc/94/94/96/378949496.db2.gz IUISEVMQCZFEJU-AWEZNQCLSA-N 2 0 297.468 1.190 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[C@@H](C[NH3+])CC(C)C)CC1 ZINC000662449345 413030413 /nfs/dbraw/zinc/03/04/13/413030413.db2.gz YSDSQEMRUUBVKH-AWEZNQCLSA-N 2 0 281.444 1.764 20 30 CDEDRP C=CCOc1ccc(C[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000647493473 390969778 /nfs/dbraw/zinc/96/97/78/390969778.db2.gz VDFCQQRITVWLKR-UHFFFAOYSA-N 2 0 289.423 1.588 20 30 CDEDRP C=C(C)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000336153928 391254073 /nfs/dbraw/zinc/25/40/73/391254073.db2.gz PXNPMAQWSQVXQG-AWEZNQCLSA-N 2 0 251.418 1.663 20 30 CDEDRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442724364 391747561 /nfs/dbraw/zinc/74/75/61/391747561.db2.gz ZHCQOTVYWMMBRQ-JKSUJKDBSA-N 2 0 278.444 1.686 20 30 CDEDRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cccc(C#N)c1 ZINC000219305772 140166889 /nfs/dbraw/zinc/16/68/89/140166889.db2.gz FOZHHAYXIOPAIA-ZDUSSCGKSA-N 2 0 261.369 1.787 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cccc(F)c1 ZINC000264122973 262876049 /nfs/dbraw/zinc/87/60/49/262876049.db2.gz RKMCVGRQWVPCGP-OAHLLOKOSA-N 2 0 292.402 1.757 20 30 CDEDRP CNC(NCc1ccc(F)c(C[NH+](C)C)c1)=[NH+]C ZINC000267378156 262928480 /nfs/dbraw/zinc/92/84/80/262928480.db2.gz AHXHZABUWHMKJI-UHFFFAOYSA-N 2 0 252.337 1.182 20 30 CDEDRP CC[NH+](CC)[C@H](CNC1=[NH+]C[C@@H](C)N1)Cc1ccccc1 ZINC000285161462 263090863 /nfs/dbraw/zinc/09/08/63/263090863.db2.gz SLEDEPGNDBYCQK-ZBFHGGJFSA-N 2 0 288.439 1.877 20 30 CDEDRP CCNC(NCc1cccc(C[NH+](C)C)c1)=[NH+]CC ZINC000294989214 263170476 /nfs/dbraw/zinc/17/04/76/263170476.db2.gz UBMMTNVHMYEEKF-UHFFFAOYSA-N 2 0 262.401 1.823 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417521527 264409989 /nfs/dbraw/zinc/40/99/89/264409989.db2.gz FMEYGLCINLWATN-DZGCQCFKSA-N 2 0 294.443 1.454 20 30 CDEDRP C[NH+]=C(NCc1ccccn1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261948405 328143308 /nfs/dbraw/zinc/14/33/08/328143308.db2.gz GQNKUWTZFXJIJW-DOMZBBRYSA-N 2 0 287.411 1.229 20 30 CDEDRP CN(C)C(=[NH2+])NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000178577469 329200920 /nfs/dbraw/zinc/20/09/20/329200920.db2.gz SVVWUQMLHJUREZ-AWEZNQCLSA-N 2 0 260.385 1.527 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCSC1 ZINC000262328325 330006404 /nfs/dbraw/zinc/00/64/04/330006404.db2.gz URDHTDNLSQCNDJ-OLZOCXBDSA-N 2 0 284.473 1.518 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(C)CCCC1 ZINC000262552522 330021043 /nfs/dbraw/zinc/02/10/43/330021043.db2.gz ZEYKHJCZKOHMBF-ZDUSSCGKSA-N 2 0 266.433 1.955 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](OC)C1(C)C ZINC000262774327 330030519 /nfs/dbraw/zinc/03/05/19/330030519.db2.gz HYJYHEUCFZFQAQ-AGIUHOORSA-N 2 0 282.432 1.189 20 30 CDEDRP [NH2+]=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)NC1CCC1 ZINC000263128671 330045013 /nfs/dbraw/zinc/04/50/13/330045013.db2.gz MTZRSQKTPJHQON-ZDUSSCGKSA-N 2 0 250.390 1.460 20 30 CDEDRP C=CC[NH+]1CCC(N[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422861799 330158210 /nfs/dbraw/zinc/15/82/10/330158210.db2.gz OZRPNIFITHOFSS-LSDHHAIUSA-N 2 0 251.418 1.886 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000423382186 330199138 /nfs/dbraw/zinc/19/91/38/330199138.db2.gz OCCNYUQQCXLWHT-JSGCOSHPSA-N 2 0 265.401 1.141 20 30 CDEDRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424160794 330306325 /nfs/dbraw/zinc/30/63/25/330306325.db2.gz UVDLPVACLUDVNA-LSDHHAIUSA-N 2 0 294.443 1.778 20 30 CDEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442842843 330786378 /nfs/dbraw/zinc/78/63/78/330786378.db2.gz JAKICJOCVAFBFH-QLFBSQMISA-N 2 0 264.417 1.294 20 30 CDEDRP C=CC[C@@H](CO)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459460171 331282570 /nfs/dbraw/zinc/28/25/70/331282570.db2.gz IWCSRVWFPHLFCQ-CQSZACIVSA-N 2 0 275.396 1.825 20 30 CDEDRP C#CC[N@H+]1CCC[C@H]1COC(=O)C1CC[NH+](C2CC2)CC1 ZINC000491147913 332156604 /nfs/dbraw/zinc/15/66/04/332156604.db2.gz SZRPWQSLOCGXEA-INIZCTEOSA-N 2 0 290.407 1.502 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001113277318 1162146609 /nfs/dbraw/zinc/14/66/09/1162146609.db2.gz IDOWKAQDCTYFPW-UHFFFAOYSA-N 2 0 267.417 1.439 20 30 CDEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000970928796 612996705 /nfs/dbraw/zinc/99/67/05/612996705.db2.gz MGPSNLGJLYEFMH-GOEBONIOSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000971673295 613083750 /nfs/dbraw/zinc/08/37/50/613083750.db2.gz FSNOSOVSNAWUPW-JKSUJKDBSA-N 2 0 291.439 1.130 20 30 CDEDRP C#CC[N@H+]1CCC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948743294 613177913 /nfs/dbraw/zinc/17/79/13/613177913.db2.gz QGPHKKUXZAIUHU-INIZCTEOSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000970057811 613303422 /nfs/dbraw/zinc/30/34/22/613303422.db2.gz FDKUJZUWVWQEEC-ZDUSSCGKSA-N 2 0 298.390 1.961 20 30 CDEDRP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000981332764 613309500 /nfs/dbraw/zinc/30/95/00/613309500.db2.gz FMEHPAQXOYJIQV-OAHLLOKOSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981143496 613310940 /nfs/dbraw/zinc/31/09/40/613310940.db2.gz OLCZRYTXRFANGV-MRXNPFEDSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977454147 613337924 /nfs/dbraw/zinc/33/79/24/613337924.db2.gz OGZIWXQFBIOIRN-LSDHHAIUSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000970479576 613384744 /nfs/dbraw/zinc/38/47/44/613384744.db2.gz WQCIXUBCYYDNHD-CHWSQXEVSA-N 2 0 285.819 1.271 20 30 CDEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000970058267 613484505 /nfs/dbraw/zinc/48/45/05/613484505.db2.gz GQDPEFDOBGMBNT-CYBMUJFWSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977604230 613544854 /nfs/dbraw/zinc/54/48/54/613544854.db2.gz VPBAXWWGOAHGNH-UONOGXRCSA-N 2 0 279.428 1.341 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948038773 613596795 /nfs/dbraw/zinc/59/67/95/613596795.db2.gz BKZNSMCRZKLAHY-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000971862301 613610251 /nfs/dbraw/zinc/61/02/51/613610251.db2.gz YKMHSAFCYUABPP-CQSZACIVSA-N 2 0 277.412 1.334 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971554096 613615814 /nfs/dbraw/zinc/61/58/14/613615814.db2.gz YMZMTWHXTGKHQT-HUUCEWRRSA-N 2 0 277.412 1.047 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000972190483 613625470 /nfs/dbraw/zinc/62/54/70/613625470.db2.gz ZACRSGJVZFRFDV-CQSZACIVSA-N 2 0 291.395 1.674 20 30 CDEDRP C=CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000981152310 613693012 /nfs/dbraw/zinc/69/30/12/613693012.db2.gz HHAFJWNUCALFJL-HZPDHXFCSA-N 2 0 291.439 1.581 20 30 CDEDRP C[NH+]1CCC(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000891580518 617490746 /nfs/dbraw/zinc/49/07/46/617490746.db2.gz KWQFWSTYZJZDLS-UHFFFAOYSA-N 2 0 299.422 1.417 20 30 CDEDRP N#Cc1ccc(NCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000925892472 617986270 /nfs/dbraw/zinc/98/62/70/617986270.db2.gz BMOVOGPWSCSYMZ-OAGGEKHMSA-N 2 0 299.422 1.875 20 30 CDEDRP C[NH+](C)CCN(CC#Cc1ccccc1)CC[NH+](C)C ZINC000894458864 618897549 /nfs/dbraw/zinc/89/75/49/618897549.db2.gz AIYYGBRIHOQDMW-UHFFFAOYSA-N 2 0 273.424 1.463 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000911864940 629577219 /nfs/dbraw/zinc/57/72/19/629577219.db2.gz WEJRUVPRMAEPGY-CQSZACIVSA-N 2 0 267.417 1.518 20 30 CDEDRP COCC[NH+]=C(NC[C@H]1CCC[N@@H+]1C)NC(C)(C)C ZINC000912509626 630049278 /nfs/dbraw/zinc/04/92/78/630049278.db2.gz MCLQAPUKMWUJJA-GFCCVEGCSA-N 2 0 270.421 1.061 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C)C[N@@H+](CC)CCC ZINC000794257818 1162465385 /nfs/dbraw/zinc/46/53/85/1162465385.db2.gz NNPIXWPLOYMEOE-ZDUSSCGKSA-N 2 0 255.406 1.341 20 30 CDEDRP C=CCOCC[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129422328 1162472405 /nfs/dbraw/zinc/47/24/05/1162472405.db2.gz HKHXTBCRQOSLBI-OAHLLOKOSA-N 2 0 297.443 1.158 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129421766 1162472077 /nfs/dbraw/zinc/47/20/77/1162472077.db2.gz BRTDFJWAMAULRZ-HNNXBMFYSA-N 2 0 281.444 1.921 20 30 CDEDRP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001753566912 1159852181 /nfs/dbraw/zinc/85/21/81/1159852181.db2.gz YCYGSARLSXICCO-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001133245902 1163614024 /nfs/dbraw/zinc/61/40/24/1163614024.db2.gz MKYVJHOUQNTDAD-CABCVRRESA-N 2 0 291.439 1.342 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134857818 1164108197 /nfs/dbraw/zinc/10/81/97/1164108197.db2.gz KBDWOQWNBOPTLY-HUUCEWRRSA-N 2 0 291.439 1.511 20 30 CDEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191143452 1164380262 /nfs/dbraw/zinc/38/02/62/1164380262.db2.gz CIZSTOZKIILCME-HNNXBMFYSA-N 2 0 289.423 1.171 20 30 CDEDRP C[C@H](CCC#N)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879596910 1166382420 /nfs/dbraw/zinc/38/24/20/1166382420.db2.gz VBPFKEZCOAYERC-CQSZACIVSA-N 2 0 264.417 1.390 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049729787 1166961115 /nfs/dbraw/zinc/96/11/15/1166961115.db2.gz XNHSJUVHJNPUOR-HRCADAONSA-N 2 0 293.455 1.968 20 30 CDEDRP CC#CC[C@@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC001574962351 1171064244 /nfs/dbraw/zinc/06/42/44/1171064244.db2.gz JYFIREYEKVTHRC-OAHLLOKOSA-N 2 0 279.428 1.450 20 30 CDEDRP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001752159003 1184827337 /nfs/dbraw/zinc/82/73/37/1184827337.db2.gz YGJCIPSLZJHDNS-CABCVRRESA-N 2 0 289.423 1.075 20 30 CDEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001752775769 1184909879 /nfs/dbraw/zinc/90/98/79/1184909879.db2.gz VQCHOYJWPBJLNB-NMWPEEMBSA-N 2 0 277.412 1.119 20 30 CDEDRP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001752989852 1184985451 /nfs/dbraw/zinc/98/54/51/1184985451.db2.gz AHXMMVWDYVYVCJ-BZUAXINKSA-N 2 0 293.455 1.826 20 30 CDEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753010515 1184993265 /nfs/dbraw/zinc/99/32/65/1184993265.db2.gz ANCGRHGBXUGKNL-AWEZNQCLSA-N 2 0 279.428 1.369 20 30 CDEDRP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001753735705 1185323112 /nfs/dbraw/zinc/32/31/12/1185323112.db2.gz BMDWTJIKYJWCME-HOTGVXAUSA-N 2 0 293.455 1.615 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]21 ZINC001753874678 1185377129 /nfs/dbraw/zinc/37/71/29/1185377129.db2.gz AKHATCXNMVMRIT-CVEARBPZSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CC[NH2+]CC[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001753985931 1185418120 /nfs/dbraw/zinc/41/81/20/1185418120.db2.gz ALNKOCUKMHFDIK-HNNXBMFYSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001754611207 1185682713 /nfs/dbraw/zinc/68/27/13/1185682713.db2.gz UMPLPFSNJGHTKB-UONOGXRCSA-N 2 0 285.407 1.433 20 30 CDEDRP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001754710820 1185711865 /nfs/dbraw/zinc/71/18/65/1185711865.db2.gz NJKNICHZEURGTG-NVXWUHKLSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001754794830 1185733959 /nfs/dbraw/zinc/73/39/59/1185733959.db2.gz HXOOSFHCOVDXHC-KBPBESRZSA-N 2 0 279.428 1.483 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001754821402 1185740530 /nfs/dbraw/zinc/74/05/30/1185740530.db2.gz QRMBLSKSTAUSBO-LSDHHAIUSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C(C)(C)C1 ZINC001755139060 1185829299 /nfs/dbraw/zinc/82/92/99/1185829299.db2.gz SJTGKNPXMAWQIG-OAHLLOKOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001755197259 1185850735 /nfs/dbraw/zinc/85/07/35/1185850735.db2.gz HBTFOUVBFUDHCD-CQSZACIVSA-N 2 0 267.417 1.437 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133820101 1163909152 /nfs/dbraw/zinc/90/91/52/1163909152.db2.gz YKRSGWRCOLZXDJ-UONOGXRCSA-N 2 0 267.417 1.531 20 30 CDEDRP N#Cc1cc(F)ccc1N1CCN(CCC[NH3+])CC1 ZINC000866703379 735137166 /nfs/dbraw/zinc/13/71/66/735137166.db2.gz LWWIGBLUFSCHIF-UHFFFAOYSA-N 2 0 262.332 1.168 20 30 CDEDRP C=C(C)CN1CC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001030432548 735280725 /nfs/dbraw/zinc/28/07/25/735280725.db2.gz KCTRGAXEUKTTJM-CQSZACIVSA-N 2 0 279.428 1.341 20 30 CDEDRP C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)CC1(C#N)CCC1 ZINC000886186174 735382971 /nfs/dbraw/zinc/38/29/71/735382971.db2.gz RANZBPYUQOGEBO-HNNXBMFYSA-N 2 0 279.428 1.849 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC001049131668 735413601 /nfs/dbraw/zinc/41/36/01/735413601.db2.gz MIUMUGJMVGZMQJ-IYBDPMFKSA-N 2 0 291.439 1.295 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001042215681 735478420 /nfs/dbraw/zinc/47/84/20/735478420.db2.gz FUPFZWQBWIYXNU-GDBMZVCRSA-N 2 0 291.439 1.437 20 30 CDEDRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000134124026 735513185 /nfs/dbraw/zinc/51/31/85/735513185.db2.gz QPMABTSKHBOZFP-AWEZNQCLSA-N 2 0 266.433 1.765 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001028235019 735527419 /nfs/dbraw/zinc/52/74/19/735527419.db2.gz NWKUMMIYHWTDOP-MRXNPFEDSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CC1(C)C ZINC000995945184 735808560 /nfs/dbraw/zinc/80/85/60/735808560.db2.gz DPNHZZXNIYKKRL-OLZOCXBDSA-N 2 0 267.417 1.339 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993762657 735818050 /nfs/dbraw/zinc/81/80/50/735818050.db2.gz QUKQPMUSLGXDNG-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001031926232 735833429 /nfs/dbraw/zinc/83/34/29/735833429.db2.gz XKDYOMWKZHVEID-ZFWWWQNUSA-N 2 0 279.428 1.341 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000928654790 735898236 /nfs/dbraw/zinc/89/82/36/735898236.db2.gz DJZSRBULUKHJDJ-ZIAGYGMSSA-N 2 0 277.412 1.073 20 30 CDEDRP C[C@H](CNC(=[NH2+])N1CCC[C@H](C)C1)C[NH+]1CCCC1 ZINC000303895509 735861902 /nfs/dbraw/zinc/86/19/02/735861902.db2.gz TXXDLNNTKHCBSQ-UONOGXRCSA-N 2 0 266.433 1.765 20 30 CDEDRP CCCC[N@H+](C)CCNC(NCc1ccco1)=[NH+]C ZINC000849005814 736026561 /nfs/dbraw/zinc/02/65/61/736026561.db2.gz TYXJAIPJUGWMIJ-UHFFFAOYSA-N 2 0 266.389 1.677 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001054969189 736039549 /nfs/dbraw/zinc/03/95/49/736039549.db2.gz OXURSNULUPHPHO-UONOGXRCSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCCN2C)C1 ZINC001046552900 736201335 /nfs/dbraw/zinc/20/13/35/736201335.db2.gz AGWVNTFBBOSGAP-HOCLYGCPSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001019187141 736335578 /nfs/dbraw/zinc/33/55/78/736335578.db2.gz KHNZZFLNGBNQBR-JKSUJKDBSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046597218 733255844 /nfs/dbraw/zinc/25/58/44/733255844.db2.gz GIELEPBAMHQGTC-OAHLLOKOSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049548110 733259711 /nfs/dbraw/zinc/25/97/11/733259711.db2.gz CEXNZKUEEWIEOO-PMPSAXMXSA-N 2 0 293.455 1.968 20 30 CDEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001034649380 733323726 /nfs/dbraw/zinc/32/37/26/733323726.db2.gz IDZUPXLYFBYGPT-YHUYYLMFSA-N 2 0 291.439 1.367 20 30 CDEDRP CCOCCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000303897919 733337395 /nfs/dbraw/zinc/33/73/95/733337395.db2.gz QVFWQSBFUSCVNO-CYBMUJFWSA-N 2 0 270.421 1.192 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001032802518 733374983 /nfs/dbraw/zinc/37/49/83/733374983.db2.gz BYJZTKRLFJIPGF-JYJNAYRXSA-N 2 0 291.439 1.722 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000987354921 733411669 /nfs/dbraw/zinc/41/16/69/733411669.db2.gz GDXBWTQKRLLAHM-UONOGXRCSA-N 2 0 277.412 1.237 20 30 CDEDRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])N2CCSCC2)C1 ZINC000262002780 733456118 /nfs/dbraw/zinc/45/61/18/733456118.db2.gz QJCZQZXGNAKSMW-ZDUSSCGKSA-N 2 0 298.500 1.860 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001031812011 733481442 /nfs/dbraw/zinc/48/14/42/733481442.db2.gz JHVVFIKIXMHNKA-UHFFFAOYSA-N 2 0 277.412 1.239 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](C)C[C@@H]2CC)CC1 ZINC000798142502 733521567 /nfs/dbraw/zinc/52/15/67/733521567.db2.gz YYHSPEHYRPJAMZ-INIZCTEOSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001022165659 733553004 /nfs/dbraw/zinc/55/30/04/733553004.db2.gz BTPDQZITEJBCEU-HZSPNIEDSA-N 2 0 299.846 1.850 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000996923417 733557600 /nfs/dbraw/zinc/55/76/00/733557600.db2.gz SQTQKJRZMWCFHG-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCC)C[C@@H]2C)CC1 ZINC000989829812 733622415 /nfs/dbraw/zinc/62/24/15/733622415.db2.gz WWMCQHWSYDRXDQ-GOEBONIOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001055016213 733688327 /nfs/dbraw/zinc/68/83/27/733688327.db2.gz XKBLQDQGDIIURF-OCCSQVGLSA-N 2 0 291.395 1.577 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001038872015 733756936 /nfs/dbraw/zinc/75/69/36/733756936.db2.gz KJEPIVVWUGUUKM-MRXNPFEDSA-N 2 0 293.455 1.873 20 30 CDEDRP CC[NH+]1CCC(CCNC(=[NH2+])N2CCCCC2)CC1 ZINC000304751292 733865762 /nfs/dbraw/zinc/86/57/62/733865762.db2.gz JDTILHRWYJMBDV-UHFFFAOYSA-N 2 0 266.433 1.909 20 30 CDEDRP CC#CC[NH+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001050753775 733880527 /nfs/dbraw/zinc/88/05/27/733880527.db2.gz CPJNVXWHTZDDCP-UHFFFAOYSA-N 2 0 289.423 1.030 20 30 CDEDRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000923298284 733896389 /nfs/dbraw/zinc/89/63/89/733896389.db2.gz ACNKWHBHUYBOJF-GDBMZVCRSA-N 2 0 291.395 1.261 20 30 CDEDRP C=C(Cl)CNC(N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)=[NH+]CC ZINC000262004053 733904994 /nfs/dbraw/zinc/90/49/94/733904994.db2.gz VCCIUVAVABLPEC-GXFFZTMASA-N 2 0 284.835 1.777 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001032406385 733906918 /nfs/dbraw/zinc/90/69/18/733906918.db2.gz YIDVCUJMBJZMMJ-JYJNAYRXSA-N 2 0 289.423 1.189 20 30 CDEDRP C=C(Cl)CN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009505492 733929752 /nfs/dbraw/zinc/92/97/52/733929752.db2.gz BQOCXNJIZKOCPR-OLZOCXBDSA-N 2 0 285.819 1.271 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033926898 733992204 /nfs/dbraw/zinc/99/22/04/733992204.db2.gz GMXMTBSNJHKAEP-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014919337 734042832 /nfs/dbraw/zinc/04/28/32/734042832.db2.gz KPCMUXHKOWNMFJ-HNNXBMFYSA-N 2 0 289.423 1.076 20 30 CDEDRP C[NH+]=C(NCc1nccs1)N[C@H]1CCN(C2CC2)C1 ZINC000083179421 734064778 /nfs/dbraw/zinc/06/47/78/734064778.db2.gz NXMKDZBBQZGAIX-JTQLQIEISA-N 2 0 279.413 1.045 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001050754006 734099983 /nfs/dbraw/zinc/09/99/83/734099983.db2.gz LRGSLPAHXRRXDX-UHFFFAOYSA-N 2 0 291.439 1.583 20 30 CDEDRP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001035166547 734133676 /nfs/dbraw/zinc/13/36/76/734133676.db2.gz PQKXIGRERCXJGY-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993758203 734135405 /nfs/dbraw/zinc/13/54/05/734135405.db2.gz IDSWOCBZLTUPNJ-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCNC(=O)CC[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000819137587 734148630 /nfs/dbraw/zinc/14/86/30/734148630.db2.gz DZYQUUMLRPDJFW-UHFFFAOYSA-N 2 0 291.439 1.513 20 30 CDEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000923400642 734180509 /nfs/dbraw/zinc/18/05/09/734180509.db2.gz CWINIVSDRCNCOY-GRYCIOLGSA-N 2 0 280.334 1.773 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015388684 734247132 /nfs/dbraw/zinc/24/71/32/734247132.db2.gz RYTCTYFUMQACBN-JKSUJKDBSA-N 2 0 291.439 1.627 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000303891681 734277145 /nfs/dbraw/zinc/27/71/45/734277145.db2.gz NFLDJOKJQQDOGB-ZIAGYGMSSA-N 2 0 284.448 1.438 20 30 CDEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041785465 734308670 /nfs/dbraw/zinc/30/86/70/734308670.db2.gz ICCFWNKQIODOSR-RDJZCZTQSA-N 2 0 291.439 1.439 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001000387595 734427848 /nfs/dbraw/zinc/42/78/48/734427848.db2.gz GZLXHMCQTNBDOU-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001049646199 734430420 /nfs/dbraw/zinc/43/04/20/734430420.db2.gz NNDNGDAYDPUCKS-OWCLPIDISA-N 2 0 289.423 1.169 20 30 CDEDRP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001041141142 734465184 /nfs/dbraw/zinc/46/51/84/734465184.db2.gz MCGZVTOVDSODJR-WBVHZDCISA-N 2 0 291.439 1.581 20 30 CDEDRP CCOCCCNC(=[NH2+])NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000303895398 734474369 /nfs/dbraw/zinc/47/43/69/734474369.db2.gz PKYPLURQQUIEIA-GJZGRUSLSA-N 2 0 298.475 1.685 20 30 CDEDRP C#C[C@H](C)NC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849020363 734622410 /nfs/dbraw/zinc/62/24/10/734622410.db2.gz ZZMFTAPCPFYKBL-AWEZNQCLSA-N 2 0 284.407 1.787 20 30 CDEDRP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992478484 734674595 /nfs/dbraw/zinc/67/45/95/734674595.db2.gz PQMLCWRNUFMSCJ-IJEWVQPXSA-N 2 0 277.412 1.237 20 30 CDEDRP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001026496545 734701725 /nfs/dbraw/zinc/70/17/25/734701725.db2.gz JCWGCNNIVJGDNT-XSCHDIRWSA-N 2 0 279.428 1.530 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001038685641 734888777 /nfs/dbraw/zinc/88/87/77/734888777.db2.gz VNDJFDOMKBSDEG-QWHCGFSZSA-N 2 0 288.395 1.596 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001022202135 734891830 /nfs/dbraw/zinc/89/18/30/734891830.db2.gz RJKWSLDPDITOLF-IJEWVQPXSA-N 2 0 289.423 1.263 20 30 CDEDRP CC#CC[NH+]1CCC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001005993025 734893954 /nfs/dbraw/zinc/89/39/54/734893954.db2.gz XRQYKUZSEWXSDQ-OAHLLOKOSA-N 2 0 291.439 1.417 20 30 CDEDRP C[C@](C[NH3+])([NH2+]C[C@H](O)COc1ccccc1C#N)C1CC1 ZINC000923296423 734899676 /nfs/dbraw/zinc/89/96/76/734899676.db2.gz RQGJPVLXTDLKND-GOEBONIOSA-N 2 0 289.379 1.015 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000818172157 734901792 /nfs/dbraw/zinc/90/17/92/734901792.db2.gz YMVHQJVLTGSBSQ-HNNXBMFYSA-N 2 0 265.401 1.049 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001021094140 734918969 /nfs/dbraw/zinc/91/89/69/734918969.db2.gz LUEUSTGOFVMIQF-RBSFLKMASA-N 2 0 279.428 1.674 20 30 CDEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])N[C@H](C)CC ZINC000304832154 734938031 /nfs/dbraw/zinc/93/80/31/734938031.db2.gz LADMEEGQYHGUDL-VXGBXAGGSA-N 2 0 258.410 1.046 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001015706247 734966393 /nfs/dbraw/zinc/96/63/93/734966393.db2.gz SUHVLEALKYRKSV-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034214205 734986537 /nfs/dbraw/zinc/98/65/37/734986537.db2.gz IWLFPNCPPXUHMG-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP CCC[N@H+](CC)CCNC(=[NH2+])NC[C@@H]1CCC[NH+]1CC ZINC000083052903 735045191 /nfs/dbraw/zinc/04/51/91/735045191.db2.gz OQQUZJMTDDRYSQ-AWEZNQCLSA-N 3 0 283.464 1.107 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001020817865 735170196 /nfs/dbraw/zinc/17/01/96/735170196.db2.gz FHBMKURQEMRDIZ-SHTZXODSSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CCCN1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001043356091 735174564 /nfs/dbraw/zinc/17/45/64/735174564.db2.gz WARXEXNVCGCACL-UHFFFAOYSA-N 2 0 282.347 1.114 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001003244137 735175080 /nfs/dbraw/zinc/17/50/80/735175080.db2.gz KCULZAOYLOKUFY-UHFFFAOYSA-N 2 0 291.439 1.772 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001015016990 735175450 /nfs/dbraw/zinc/17/54/50/735175450.db2.gz ZFDFZDUJRZUXPQ-UONOGXRCSA-N 2 0 288.395 1.212 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001074562788 735183569 /nfs/dbraw/zinc/18/35/69/735183569.db2.gz HTEOWHGQRSTUKT-MELADBBJSA-N 2 0 265.401 1.236 20 30 CDEDRP N#Cc1ccc(NCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000925892470 735210067 /nfs/dbraw/zinc/21/00/67/735210067.db2.gz BMOVOGPWSCSYMZ-ARFHVFGLSA-N 2 0 299.422 1.875 20 30 CDEDRP C[NH+]=C(NC[C@H](C)SC)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261951525 735262532 /nfs/dbraw/zinc/26/25/32/735262532.db2.gz HNHAUCMKTPPXQX-NTZNESFSSA-N 2 0 284.473 1.386 20 30 CDEDRP C[NH+]=C(NCC(C)(C)[NH+](C)C)NC[C@]1(C)CCCS1 ZINC000261948258 735654469 /nfs/dbraw/zinc/65/44/69/735654469.db2.gz GOABJXWFFCEUAB-AWEZNQCLSA-N 2 0 286.489 1.777 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000866014626 735728898 /nfs/dbraw/zinc/72/88/98/735728898.db2.gz BJBYPFFBYKGILC-JKSUJKDBSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001016544038 735812313 /nfs/dbraw/zinc/81/23/13/735812313.db2.gz SHMYBOVDSSVNHJ-HUUCEWRRSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001023446097 735845445 /nfs/dbraw/zinc/84/54/45/735845445.db2.gz JYLGPOPWEJNOKB-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001022279136 735890611 /nfs/dbraw/zinc/89/06/11/735890611.db2.gz UMLRWZVOZDPDOM-LJISPDSOSA-N 2 0 277.412 1.426 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC000970584263 735913235 /nfs/dbraw/zinc/91/32/35/735913235.db2.gz UOXGPVMHKSFIAR-ZBFHGGJFSA-N 2 0 277.412 1.239 20 30 CDEDRP C[C@H](CCNC(=[NH2+])NCC1CCC1)[NH+]1CCCCC1 ZINC000305836743 735936246 /nfs/dbraw/zinc/93/62/46/735936246.db2.gz XANQLPDXIBTEKU-CYBMUJFWSA-N 2 0 266.433 1.955 20 30 CDEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001072812274 736167113 /nfs/dbraw/zinc/16/71/13/736167113.db2.gz YVACMBVZMISMRC-UHFFFAOYSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001075887219 736214659 /nfs/dbraw/zinc/21/46/59/736214659.db2.gz BKJJUKVRJHLZQG-DZGCQCFKSA-N 2 0 277.412 1.189 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)CC2 ZINC001035794559 736341618 /nfs/dbraw/zinc/34/16/18/736341618.db2.gz FWVONVQDOVVNKP-OAHLLOKOSA-N 2 0 291.439 1.439 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001106255607 913733305 /nfs/dbraw/zinc/73/33/05/913733305.db2.gz AGPSDTVBVLYLMH-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001167051344 894007614 /nfs/dbraw/zinc/00/76/14/894007614.db2.gz HFMWEMSXRDDVHO-CQSZACIVSA-N 2 0 281.444 1.635 20 30 CDEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176024913 913902245 /nfs/dbraw/zinc/90/22/45/913902245.db2.gz UKMVUFCDTXMWNQ-AWEZNQCLSA-N 2 0 269.433 1.779 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176057507 913941934 /nfs/dbraw/zinc/94/19/34/913941934.db2.gz PHKJTKUOPHZMFV-ZIAGYGMSSA-N 2 0 267.417 1.389 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106600353 914053587 /nfs/dbraw/zinc/05/35/87/914053587.db2.gz YMZTXBHPFPDLQN-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106599408 914054275 /nfs/dbraw/zinc/05/42/75/914054275.db2.gz GODVHLLOWQFSPM-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001104621661 898799728 /nfs/dbraw/zinc/79/97/28/898799728.db2.gz JRPDHDIXWGWQGC-GDBMZVCRSA-N 2 0 291.439 1.036 20 30 CDEDRP CN(C)/C=[NH+]/c1ccc(-n2ccc(CC[NH3+])n2)cc1C#N ZINC001167731565 899502336 /nfs/dbraw/zinc/50/23/36/899502336.db2.gz KMJBZLIHXOMZFZ-WOJGMQOQSA-N 2 0 282.351 1.467 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)C[N@@H+](C)CCC)CC1 ZINC001225252521 902538621 /nfs/dbraw/zinc/53/86/21/902538621.db2.gz QCGOORHYGKMBMF-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168021108 905789183 /nfs/dbraw/zinc/78/91/83/905789183.db2.gz AADTUXNTXPSLKK-KGLIPLIRSA-N 2 0 265.401 1.285 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188963837 921244020 /nfs/dbraw/zinc/24/40/20/921244020.db2.gz SUCIOVPLSZTPFK-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP CC[N@H+](CCNC(=[NH2+])N1CCCCCC1)C1CC1 ZINC000305057374 906709266 /nfs/dbraw/zinc/70/92/66/906709266.db2.gz JRZLJHIFPSRLMG-UHFFFAOYSA-N 2 0 252.406 1.661 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189111398 921313553 /nfs/dbraw/zinc/31/35/53/921313553.db2.gz ZVWMCZYIULGRQB-ARFHVFGLSA-N 2 0 293.455 1.826 20 30 CDEDRP C#CCOCCOCC[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173106886 912167431 /nfs/dbraw/zinc/16/74/31/912167431.db2.gz GWSJRVRJMJAZSV-UHFFFAOYSA-N 2 0 296.455 1.895 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001179472084 915848339 /nfs/dbraw/zinc/84/83/39/915848339.db2.gz FUHHIOZIYXJGTO-ZFWWWQNUSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H](CC)[NH+](C)C ZINC001179609364 915905789 /nfs/dbraw/zinc/90/57/89/915905789.db2.gz PXPDOIAFLNEDEX-AWEZNQCLSA-N 2 0 267.417 1.226 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001180265249 916231472 /nfs/dbraw/zinc/23/14/72/916231472.db2.gz ODSSMTNUHQJPSY-HNNXBMFYSA-N 2 0 279.428 1.228 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001097846849 936393467 /nfs/dbraw/zinc/39/34/67/936393467.db2.gz NUGMZRCDJNNVJB-YJNKXOJESA-N 2 0 277.412 1.378 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001052898572 936403768 /nfs/dbraw/zinc/40/37/68/936403768.db2.gz DQTBYIUXGAKYQK-RDJZCZTQSA-N 2 0 291.439 1.629 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001183040369 918266172 /nfs/dbraw/zinc/26/61/72/918266172.db2.gz QWTIEMDFPQTIHS-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001183040306 918266226 /nfs/dbraw/zinc/26/62/26/918266226.db2.gz OJCIDQGQJTYDTJ-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001184309603 919018462 /nfs/dbraw/zinc/01/84/62/919018462.db2.gz HFMFKKNJSHLUKW-CQSZACIVSA-N 2 0 282.347 1.162 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001185680268 919721552 /nfs/dbraw/zinc/72/15/52/919721552.db2.gz FNGHWUBBMOYKSM-CABCVRRESA-N 2 0 279.428 1.342 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C[C@H](C)n2ccnc2)C1 ZINC001185967841 919834286 /nfs/dbraw/zinc/83/42/86/919834286.db2.gz AZOLCWCCXNVHGH-UONOGXRCSA-N 2 0 276.384 1.601 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001187018857 920295920 /nfs/dbraw/zinc/29/59/20/920295920.db2.gz ZPCPTBMWDXRASB-MRXNPFEDSA-N 2 0 293.455 1.712 20 30 CDEDRP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001190491284 922045509 /nfs/dbraw/zinc/04/55/09/922045509.db2.gz FKZJHUFAAYLCMM-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001108165213 923299221 /nfs/dbraw/zinc/29/92/21/923299221.db2.gz CQWLBPIEVNSSNB-MRXNPFEDSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194226369 924123920 /nfs/dbraw/zinc/12/39/20/924123920.db2.gz AVWXFBOPANWAFS-OAHLLOKOSA-N 2 0 279.428 1.581 20 30 CDEDRP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194295470 924165379 /nfs/dbraw/zinc/16/53/79/924165379.db2.gz QBABRQORFFGSGY-HNNXBMFYSA-N 2 0 297.443 1.062 20 30 CDEDRP CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001080998982 924669941 /nfs/dbraw/zinc/66/99/41/924669941.db2.gz WNTITYPNNJZGCO-BZUAXINKSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001082448021 924934871 /nfs/dbraw/zinc/93/48/71/924934871.db2.gz ANQOTWIYRLLRNJ-MCIONIFRSA-N 2 0 265.401 1.093 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001082559120 924957771 /nfs/dbraw/zinc/95/77/71/924957771.db2.gz UCWLGCAAAXXUCJ-HONMWMINSA-N 2 0 299.846 1.516 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001082782713 924998621 /nfs/dbraw/zinc/99/86/21/924998621.db2.gz MHQOLELRAOVYIK-OWCLPIDISA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101397848 936971055 /nfs/dbraw/zinc/97/10/55/936971055.db2.gz KHAZQSQVLAEVNM-ZBFHGGJFSA-N 2 0 279.428 1.295 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001084407143 925255365 /nfs/dbraw/zinc/25/53/65/925255365.db2.gz JGSSLUAEHMMIBG-BZUAXINKSA-N 2 0 291.439 1.435 20 30 CDEDRP C=CC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369903 937054693 /nfs/dbraw/zinc/05/46/93/937054693.db2.gz JZILUFKKTJLJHD-RBSFLKMASA-N 2 0 279.428 1.198 20 30 CDEDRP C#CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085593795 926190732 /nfs/dbraw/zinc/19/07/32/926190732.db2.gz ROEIWKHBVHPXDS-LSDHHAIUSA-N 2 0 277.412 1.025 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001201052635 926193701 /nfs/dbraw/zinc/19/37/01/926193701.db2.gz GWWHSONKRRRBTH-MRXNPFEDSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CCCO1 ZINC001201924193 926432453 /nfs/dbraw/zinc/43/24/53/926432453.db2.gz DZRJLKVBFVFJBP-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102780430 937088350 /nfs/dbraw/zinc/08/83/50/937088350.db2.gz AYQGZHQLWQQPQQ-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001490270759 927066988 /nfs/dbraw/zinc/06/69/88/927066988.db2.gz HHPYHBCPMOUNDW-CQSZACIVSA-N 2 0 267.417 1.034 20 30 CDEDRP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CCC)C1 ZINC001103662749 937150165 /nfs/dbraw/zinc/15/01/65/937150165.db2.gz OJEBBMIXRCVWCX-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001110616764 927312576 /nfs/dbraw/zinc/31/25/76/927312576.db2.gz PVQJHCZJOPJEDX-BARDWOONSA-N 2 0 297.418 1.574 20 30 CDEDRP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001490768829 927339840 /nfs/dbraw/zinc/33/98/40/927339840.db2.gz VLCQWOVBXZTMJF-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)C(=O)NCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169089925 927714297 /nfs/dbraw/zinc/71/42/97/927714297.db2.gz GTQDGDDRAGTSQR-ZSOGYDGISA-N 2 0 265.401 1.284 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110667765 928012584 /nfs/dbraw/zinc/01/25/84/928012584.db2.gz JSARKHPCWKRYSP-WCVJEAGWSA-N 2 0 291.439 1.624 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773734 929891871 /nfs/dbraw/zinc/89/18/71/929891871.db2.gz RAXRHYURNQMRDM-STQMWFEESA-N 2 0 267.417 1.223 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134810440 929914869 /nfs/dbraw/zinc/91/48/69/929914869.db2.gz YVBZQBLTCKHZHH-OLZOCXBDSA-N 2 0 298.390 1.762 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135613667 930295917 /nfs/dbraw/zinc/29/59/17/930295917.db2.gz HGVXHYLBKORBSN-LSDHHAIUSA-N 2 0 293.455 1.615 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135613664 930295986 /nfs/dbraw/zinc/29/59/86/930295986.db2.gz HGVXHYLBKORBSN-CABCVRRESA-N 2 0 293.455 1.615 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135995674 930593013 /nfs/dbraw/zinc/59/30/13/930593013.db2.gz JGOMVESJBARAFY-CABCVRRESA-N 2 0 281.444 1.615 20 30 CDEDRP COc1cc(CCC#N)c(N[C@H]([NH3+])CCC[NH3+])cc1OC ZINC001170898549 930696022 /nfs/dbraw/zinc/69/60/22/930696022.db2.gz DNPXLQQJAKSIIC-HNNXBMFYSA-N 2 0 292.383 1.596 20 30 CDEDRP N#CC1(c2ccc(N[C@H]([NH3+])CCC[NH3+])nc2)CCC1 ZINC001159783607 930843917 /nfs/dbraw/zinc/84/39/17/930843917.db2.gz DXQAPNBULMXFHD-LBPRGKRZSA-N 2 0 259.357 1.462 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001091100410 931827955 /nfs/dbraw/zinc/82/79/55/931827955.db2.gz SKENYTKSZQCNJF-YMAMQOFZSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091530937 932213820 /nfs/dbraw/zinc/21/38/20/932213820.db2.gz JBEJHAKXENLIBM-YCPHGPKFSA-N 2 0 277.412 1.047 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147835534 932617613 /nfs/dbraw/zinc/61/76/13/932617613.db2.gz UBPJNSVHGICQAT-CABCVRRESA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@]2(C)C1 ZINC001092050526 932913135 /nfs/dbraw/zinc/91/31/35/932913135.db2.gz WKWZVFDEQINEHO-CJNGLKHVSA-N 2 0 288.395 1.309 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155262419 937654761 /nfs/dbraw/zinc/65/47/61/937654761.db2.gz BOJKLWPXESVOFO-CQSZACIVSA-N 2 0 283.460 1.977 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001155883856 937685328 /nfs/dbraw/zinc/68/53/28/937685328.db2.gz MQSXUUSDSGLVPY-HZPDHXFCSA-N 2 0 295.471 1.813 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001015706244 935582225 /nfs/dbraw/zinc/58/22/25/935582225.db2.gz SUHVLEALKYRKSV-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001096017548 935881179 /nfs/dbraw/zinc/88/11/79/935881179.db2.gz WIRPJXLXWVZMKK-FZKCQIBNSA-N 2 0 291.439 1.626 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001096350576 936048957 /nfs/dbraw/zinc/04/89/57/936048957.db2.gz PUFUVVHORIHQMH-WCVJEAGWSA-N 2 0 289.423 1.073 20 30 CDEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001096350510 936050139 /nfs/dbraw/zinc/05/01/39/936050139.db2.gz NTNCWGQVQNPOAG-WCVJEAGWSA-N 2 0 291.439 1.626 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001121921631 937890677 /nfs/dbraw/zinc/89/06/77/937890677.db2.gz SFTBRTDBAWFNCX-KGLIPLIRSA-N 2 0 265.401 1.271 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158426009 938623133 /nfs/dbraw/zinc/62/31/33/938623133.db2.gz YOHSTZPGFJNYLB-MJBXVCDLSA-N 2 0 265.401 1.413 20 30 CDEDRP CN(C)/C=[NH+]/c1ccc(NC[C@@H]2C[C@H](F)C[NH2+]2)cc1C#N ZINC001162477593 939064493 /nfs/dbraw/zinc/06/44/93/939064493.db2.gz LTWQIPPCZXPXGH-RXYWKKKQSA-N 2 0 289.358 1.892 20 30 CDEDRP C[Si](C)(C)C#C[NH2+]C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163280217 939239112 /nfs/dbraw/zinc/23/91/12/939239112.db2.gz SADJDHOBQLYGLZ-KGLIPLIRSA-N 2 0 266.461 1.573 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163825136 939337559 /nfs/dbraw/zinc/33/75/59/939337559.db2.gz KUYAWLIXMNEZJP-UHFFFAOYSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001164536533 939491747 /nfs/dbraw/zinc/49/17/47/939491747.db2.gz ULHJSQAQUGSZHM-OAHLLOKOSA-N 2 0 297.443 1.158 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203359488 939683984 /nfs/dbraw/zinc/68/39/84/939683984.db2.gz SPYCJANUQNRUOH-LSDHHAIUSA-N 2 0 293.455 1.921 20 30 CDEDRP C[C@H]1C[N@H+](Cc2cccc(C#N)n2)CCC[C@H]1C[NH3+] ZINC001206011312 939967302 /nfs/dbraw/zinc/96/73/02/939967302.db2.gz BMBSHOFESISKQD-STQMWFEESA-N 2 0 258.369 1.760 20 30 CDEDRP Cn1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)cc1C#N ZINC001206303599 940014735 /nfs/dbraw/zinc/01/47/35/940014735.db2.gz DOJZXRQQPQGOIR-HNNXBMFYSA-N 2 0 260.385 1.848 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207550948 940214378 /nfs/dbraw/zinc/21/43/78/940214378.db2.gz OOYPUKIKBIEBJR-BMFZPTHFSA-N 2 0 293.455 1.729 20 30 CDEDRP C[NH+]1CCC(C)(C[NH+]2CCN(CCC#N)CC2)CC1 ZINC001208107167 940290256 /nfs/dbraw/zinc/29/02/56/940290256.db2.gz PGPYTERAMHIADK-UHFFFAOYSA-N 2 0 264.417 1.250 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001208334515 940320342 /nfs/dbraw/zinc/32/03/42/940320342.db2.gz JGLOZLAYYBMQTI-GJZGRUSLSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210812037 940715048 /nfs/dbraw/zinc/71/50/48/940715048.db2.gz TTZZJWYCCNVZFH-AWEZNQCLSA-N 2 0 267.417 1.485 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211343957 940748010 /nfs/dbraw/zinc/74/80/10/940748010.db2.gz VAFFYQJZAUANBB-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378266 940771909 /nfs/dbraw/zinc/77/19/09/940771909.db2.gz JJXXVPKVGZCTIW-RRFJBIMHSA-N 2 0 297.443 1.108 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213596438 940779879 /nfs/dbraw/zinc/77/98/79/940779879.db2.gz BPDCGQDPDYBPIN-HUUCEWRRSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc2c(n1)CC[NH2+]C2 ZINC001218456213 941219620 /nfs/dbraw/zinc/21/96/20/941219620.db2.gz VDNBVRXETCONAN-HUUCEWRRSA-N 2 0 273.380 1.803 20 30 CDEDRP C[C@H](C#N)c1ccc(NC(=O)[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001218871982 941282110 /nfs/dbraw/zinc/28/21/10/941282110.db2.gz ZAXFKRVYXULQLB-MFKMUULPSA-N 2 0 260.341 1.318 20 30 CDEDRP N#Cc1c(F)ccc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c1F ZINC001218914558 941287952 /nfs/dbraw/zinc/28/79/52/941287952.db2.gz ZAHPLGHWLKCIAL-ZDUSSCGKSA-N 2 0 294.305 1.102 20 30 CDEDRP C[C@H](NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)c1cccc(C#N)c1 ZINC001220046751 941407743 /nfs/dbraw/zinc/40/77/43/941407743.db2.gz CDOBLMWWLIFEPZ-NHYWBVRUSA-N 2 0 286.379 1.062 20 30 CDEDRP C#Cc1ccc(CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])cc1 ZINC001220380616 941441983 /nfs/dbraw/zinc/44/19/83/941441983.db2.gz ANJOWMAEKQYHBX-HNNXBMFYSA-N 2 0 273.380 1.131 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221817503 941552263 /nfs/dbraw/zinc/55/22/63/941552263.db2.gz VHIKRNDWIZIJEO-HUUCEWRRSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CCCC[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224346345 941744863 /nfs/dbraw/zinc/74/48/63/941744863.db2.gz HLGKFYVBUCOFCU-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001225080337 941822593 /nfs/dbraw/zinc/82/25/93/941822593.db2.gz LMKCCIWORQCJCY-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](F)C[NH+](CC)CC ZINC001226564379 942026713 /nfs/dbraw/zinc/02/67/13/942026713.db2.gz KQDFRBOZVHDIEP-RBSFLKMASA-N 2 0 297.418 1.317 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001228445242 942316969 /nfs/dbraw/zinc/31/69/69/942316969.db2.gz MFYIENOTSXERLB-BZUAXINKSA-N 2 0 293.455 1.613 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC001263111404 943751230 /nfs/dbraw/zinc/75/12/30/943751230.db2.gz BUPIOOVWSGEQPP-ZIAGYGMSSA-N 2 0 267.417 1.613 20 30 CDEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001234643077 943924609 /nfs/dbraw/zinc/92/46/09/943924609.db2.gz MALSKJRGIZYARJ-LSDHHAIUSA-N 2 0 299.434 1.775 20 30 CDEDRP C[NH+](C)CCN1CC2(C1)CCC[N@H+](CCCC#N)C2 ZINC001277944915 944154804 /nfs/dbraw/zinc/15/48/04/944154804.db2.gz FVNYYOURNHTQTC-UHFFFAOYSA-N 2 0 264.417 1.250 20 30 CDEDRP C[N@@H+]1CCC[C@@H](NC(=[NH2+])c2ccc(F)cn2)CC1 ZINC001254501919 947457335 /nfs/dbraw/zinc/45/73/35/947457335.db2.gz ADOHPYXQSFFFRI-LLVKDONJSA-N 2 0 250.321 1.410 20 30 CDEDRP CCCCCCCC[C@@H](O)CN1CC[NH2+]C[C@H](O)C1 ZINC001246029868 947910996 /nfs/dbraw/zinc/91/09/96/947910996.db2.gz DDOFQFBYLHHDGA-CABCVRRESA-N 2 0 272.433 1.364 20 30 CDEDRP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246556224 948266857 /nfs/dbraw/zinc/26/68/57/948266857.db2.gz DXMZSLOISMUMRC-PBHICJAKSA-N 2 0 287.407 1.665 20 30 CDEDRP C=CCOC1CCC([N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001246618952 948350564 /nfs/dbraw/zinc/35/05/64/948350564.db2.gz PHMFFAXJNCHWAV-GQGLESIBSA-N 2 0 293.455 1.526 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC001252493736 951367602 /nfs/dbraw/zinc/36/76/02/951367602.db2.gz SKLYYUNLQXILKV-OAHLLOKOSA-N 2 0 268.401 1.156 20 30 CDEDRP C=C[C@@](C)(O)C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001252555387 951447268 /nfs/dbraw/zinc/44/72/68/951447268.db2.gz TWVVGTHVNPLKCU-OAHLLOKOSA-N 2 0 254.418 1.976 20 30 CDEDRP C=C[C@@](C)(O)C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC001252582918 951477384 /nfs/dbraw/zinc/47/73/84/951477384.db2.gz ZAGAZFAEWFUYCJ-MRXNPFEDSA-N 2 0 278.396 1.654 20 30 CDEDRP C=CCC[C@@H](O)C[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001252599122 951493519 /nfs/dbraw/zinc/49/35/19/951493519.db2.gz XLJOJRZIXYXXKH-CQSZACIVSA-N 2 0 286.416 1.130 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCN(CCC[NH+](CC)CC)CC1 ZINC001252600085 951496312 /nfs/dbraw/zinc/49/63/12/951496312.db2.gz WKFJSZVETKWXHK-KRWDZBQOSA-N 2 0 297.487 1.663 20 30 CDEDRP C=CCC[C@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC001252619519 951511718 /nfs/dbraw/zinc/51/17/18/951511718.db2.gz FCUAHHALLIQXIL-HNNXBMFYSA-N 2 0 252.402 1.920 20 30 CDEDRP C=C[C@H](O)C[NH2+]C1CC[NH+](CC2CCOCC2)CC1 ZINC001253606543 951991270 /nfs/dbraw/zinc/99/12/70/951991270.db2.gz JIKKMECMRZAPAM-HNNXBMFYSA-N 2 0 268.401 1.014 20 30 CDEDRP C=C[C@@H](O)C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC001253609563 951994411 /nfs/dbraw/zinc/99/44/11/951994411.db2.gz VODBAJQXSSDAJW-CQSZACIVSA-N 2 0 264.369 1.264 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001480817136 971893745 /nfs/dbraw/zinc/89/37/45/971893745.db2.gz AWPASOJWIANODR-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC001333666226 958494131 /nfs/dbraw/zinc/49/41/31/958494131.db2.gz BPJWCOUZAGPTHI-CQSZACIVSA-N 2 0 294.443 1.420 20 30 CDEDRP C[N@@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001336764541 960561511 /nfs/dbraw/zinc/56/15/11/960561511.db2.gz ZJLUJCIYDBWZBS-AWEZNQCLSA-N 2 0 286.379 1.428 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001340709341 963082522 /nfs/dbraw/zinc/08/25/22/963082522.db2.gz OADKIFKCKCMXKL-SOUVJXGZSA-N 2 0 279.428 1.803 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC001341662754 963502660 /nfs/dbraw/zinc/50/26/60/963502660.db2.gz NCFDYOKZDVSENE-GXTWGEPZSA-N 2 0 285.457 1.224 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC001341767622 963534383 /nfs/dbraw/zinc/53/43/83/963534383.db2.gz OOCURBSCMDLWCJ-STQMWFEESA-N 2 0 253.390 1.257 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001100618765 968806500 /nfs/dbraw/zinc/80/65/00/968806500.db2.gz XONGFTCQJXPXIS-UHFFFAOYSA-N 2 0 279.428 1.389 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001100647222 968862022 /nfs/dbraw/zinc/86/20/22/968862022.db2.gz JJSSJAJUNHAFRH-YMAMQOFZSA-N 2 0 281.444 1.633 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001100680785 968937527 /nfs/dbraw/zinc/93/75/27/968937527.db2.gz FMQNWNLXNWOGNG-UHFFFAOYSA-N 2 0 281.444 1.635 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001100683559 968942447 /nfs/dbraw/zinc/94/24/47/968942447.db2.gz HORMVHLWEWYOSP-RUXDESIVSA-N 2 0 267.417 1.387 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001521482417 970302261 /nfs/dbraw/zinc/30/22/61/970302261.db2.gz MFZUYSKJMKKCMF-BFHYXJOUSA-N 2 0 267.417 1.659 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001397655413 975670185 /nfs/dbraw/zinc/67/01/85/975670185.db2.gz ZVBXQGAPSMQMOU-JOCQHMNTSA-N 2 0 299.846 1.708 20 30 CDEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133090485 1163567516 /nfs/dbraw/zinc/56/75/16/1163567516.db2.gz ITGISBVBRAJCRF-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP N#Cc1cccc(C[NH+]2CCC(N[C@H]3CC[NH2+]C3)CC2)c1 ZINC000593324048 342788496 /nfs/dbraw/zinc/78/84/96/342788496.db2.gz XNUDLOIYUBRHBO-KRWDZBQOSA-N 2 0 284.407 1.474 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1 ZINC000264059993 361902799 /nfs/dbraw/zinc/90/27/99/361902799.db2.gz CNYFBJRNTLZXFL-AWEZNQCLSA-N 2 0 260.385 1.575 20 30 CDEDRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442781101 362089186 /nfs/dbraw/zinc/08/91/86/362089186.db2.gz LYGJFRDJMHNNKG-CABCVRRESA-N 2 0 264.417 1.296 20 30 CDEDRP N#Cc1sccc1N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000595901834 343187133 /nfs/dbraw/zinc/18/71/33/343187133.db2.gz ADSDBQHMNCSNOI-ZDUSSCGKSA-N 2 0 290.436 1.741 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)o1 ZINC000600769015 349879304 /nfs/dbraw/zinc/87/93/04/349879304.db2.gz JBCINTRLIDTDPF-CVEARBPZSA-N 2 0 289.379 1.870 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)o1 ZINC000600769882 349878560 /nfs/dbraw/zinc/87/85/60/349878560.db2.gz UIEPMJQQOXAAPF-CJNGLKHVSA-N 2 0 289.379 1.870 20 30 CDEDRP C[C@@H](CCC#N)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000602594218 344487292 /nfs/dbraw/zinc/48/72/92/344487292.db2.gz VWUOGTVSTZIIBY-AWEZNQCLSA-N 2 0 252.406 1.153 20 30 CDEDRP C[C@@H](CCC#N)C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000602618040 344498313 /nfs/dbraw/zinc/49/83/13/344498313.db2.gz DXBGFSTVUNEQIR-GJZGRUSLSA-N 2 0 266.433 1.542 20 30 CDEDRP CC#CC[C@H](CO)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000641768709 365835599 /nfs/dbraw/zinc/83/55/99/365835599.db2.gz GLGYIUBGGVCMRR-KBAYOESNSA-N 2 0 286.419 1.871 20 30 CDEDRP CC1CC[NH+](Cc2ccc(CNC(N)=[NH2+])cc2)CC1 ZINC000057887483 347114912 /nfs/dbraw/zinc/11/49/12/347114912.db2.gz LOFLLMFIZHQJBM-UHFFFAOYSA-N 2 0 260.385 1.692 20 30 CDEDRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602509383 350115749 /nfs/dbraw/zinc/11/57/49/350115749.db2.gz GQUARCRBWIICJA-UHFFFAOYSA-N 2 0 287.411 1.069 20 30 CDEDRP CSC1(C[NH2+]Cc2cccc(C#N)n2)CC[NH+](C)CC1 ZINC000602667187 350139477 /nfs/dbraw/zinc/13/94/77/350139477.db2.gz MQNNQIOGPFRMLS-UHFFFAOYSA-N 2 0 290.436 1.870 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C)cc1 ZINC000264066142 362956530 /nfs/dbraw/zinc/95/65/30/362956530.db2.gz FAVOIMKGZSVSRJ-HNNXBMFYSA-N 2 0 274.412 1.884 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C#N)cc1 ZINC000264105472 362968016 /nfs/dbraw/zinc/96/80/16/362968016.db2.gz PHFPGTLWBZUTOM-OAHLLOKOSA-N 2 0 285.395 1.447 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ccccc1 ZINC000264123047 362973614 /nfs/dbraw/zinc/97/36/14/362973614.db2.gz RNXHWXGBJJQDMT-AWEZNQCLSA-N 2 0 290.411 1.454 20 30 CDEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174349798 188894027 /nfs/dbraw/zinc/89/40/27/188894027.db2.gz XDJVUPBTVKIJRB-CQSZACIVSA-N 2 0 290.411 1.514 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000106335543 357243688 /nfs/dbraw/zinc/24/36/88/357243688.db2.gz FURWAXKMPSUXCA-OAHLLOKOSA-N 2 0 294.443 1.420 20 30 CDEDRP CCC[N@@H+]1CC[C@H](CNCc2cnc3c(C#N)cnn3c2)C1 ZINC000571707475 359604277 /nfs/dbraw/zinc/60/42/77/359604277.db2.gz YVZQCPZNWFLDRV-CYBMUJFWSA-N 2 0 298.394 1.422 20 30 CDEDRP C=CCOCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000348033560 359782997 /nfs/dbraw/zinc/78/29/97/359782997.db2.gz MXEIZDBGYSOAQJ-LSDHHAIUSA-N 2 0 252.402 1.995 20 30 CDEDRP C=CCN1CC[C@H](N(C)C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000337188315 360031425 /nfs/dbraw/zinc/03/14/25/360031425.db2.gz QGVJHXLYTABSLY-KGLIPLIRSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426353372 360658477 /nfs/dbraw/zinc/65/84/77/360658477.db2.gz UQQDUUBTFQXKEM-OAHLLOKOSA-N 2 0 277.412 1.380 20 30 CDEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357067337 366735031 /nfs/dbraw/zinc/73/50/31/366735031.db2.gz COPPBLHIYCNXIX-INIZCTEOSA-N 2 0 291.439 1.509 20 30 CDEDRP C=C(C)C[N@@H+](CC)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000159003828 361507809 /nfs/dbraw/zinc/50/78/09/361507809.db2.gz BWGCOGBLMDWMRY-UHFFFAOYSA-N 2 0 289.427 1.626 20 30 CDEDRP N#CCCNCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000567725746 365039226 /nfs/dbraw/zinc/03/92/26/365039226.db2.gz HYXXSIHOIHEHLX-UHFFFAOYSA-N 2 0 273.384 1.097 20 30 CDEDRP C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000305083839 370853562 /nfs/dbraw/zinc/85/35/62/370853562.db2.gz NGNQZRJUHGBEJM-LSDHHAIUSA-N 2 0 252.402 1.731 20 30 CDEDRP C=C(CC)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000358820960 367907662 /nfs/dbraw/zinc/90/76/62/367907662.db2.gz UYIRPZRASDADGM-JKSUJKDBSA-N 2 0 265.445 1.910 20 30 CDEDRP C=C(CC)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000358820958 367907941 /nfs/dbraw/zinc/90/79/41/367907941.db2.gz UYIRPZRASDADGM-HZPDHXFCSA-N 2 0 265.445 1.910 20 30 CDEDRP CC[N@H+](C)C[C@H]1CC[NH+](CCCSCC#N)C1 ZINC000072488975 369072645 /nfs/dbraw/zinc/07/26/45/369072645.db2.gz QIBDYQRHJCLXML-CYBMUJFWSA-N 2 0 255.431 1.907 20 30 CDEDRP C=C(C)CN1CCC([NH2+][C@@H](C)CC(=O)N(C)C)CC1 ZINC000153015292 370362859 /nfs/dbraw/zinc/36/28/59/370362859.db2.gz RWUZJGCDJVIKGX-ZDUSSCGKSA-N 2 0 267.417 1.483 20 30 CDEDRP CN1CC[NH+]=C1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000262663904 370445987 /nfs/dbraw/zinc/44/59/87/370445987.db2.gz NWHDBGGQXITNML-HNNXBMFYSA-N 2 0 272.396 1.542 20 30 CDEDRP C=CCc1cc(C[N@H+](C)CCC[NH3+])cc(OC)c1O ZINC000567864689 371176789 /nfs/dbraw/zinc/17/67/89/371176789.db2.gz JFKPJWPSYVKUKJ-UHFFFAOYSA-N 2 0 264.369 1.910 20 30 CDEDRP C=CCN1CC[C@@H]([NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)C1=O ZINC000420323515 376339702 /nfs/dbraw/zinc/33/97/02/376339702.db2.gz YKAZRVBLYIZNHE-HUUCEWRRSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000420371640 376339892 /nfs/dbraw/zinc/33/98/92/376339892.db2.gz KRQYHECFXIGNIY-HOTGVXAUSA-N 2 0 260.381 1.568 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000417532264 377890469 /nfs/dbraw/zinc/89/04/69/377890469.db2.gz DZMVSRFIBOUADY-HNNXBMFYSA-N 2 0 296.459 1.700 20 30 CDEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=[NH2+])N2CCC(C)CC2)C1 ZINC000194684822 378440906 /nfs/dbraw/zinc/44/09/06/378440906.db2.gz XXYQUJBYKOBLMP-OAHLLOKOSA-N 2 0 296.459 1.390 20 30 CDEDRP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266915705 391183834 /nfs/dbraw/zinc/18/38/34/391183834.db2.gz KKTOWTXXVRVSRK-QWHCGFSZSA-N 2 0 289.383 1.350 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]([NH3+])C1)C(C)C ZINC000417061325 391341813 /nfs/dbraw/zinc/34/18/13/391341813.db2.gz KYXOBTVOOLRTKI-LSDHHAIUSA-N 2 0 294.443 1.428 20 30 CDEDRP C[NH+]=C(NCC[N@@H+]1CCCC[C@H]1C)N(C)Cc1ccon1 ZINC000261748909 391692214 /nfs/dbraw/zinc/69/22/14/391692214.db2.gz LQVVNAKSXNRVCE-CYBMUJFWSA-N 2 0 293.415 1.556 20 30 CDEDRP N#CCCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173957292 261175206 /nfs/dbraw/zinc/17/52/06/261175206.db2.gz YKZSCWRGMYQTKM-UHFFFAOYSA-N 2 0 265.401 1.867 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccs1 ZINC000264056191 262860585 /nfs/dbraw/zinc/86/05/85/262860585.db2.gz AWLFZMXIHSYGEP-LLVKDONJSA-N 2 0 266.414 1.637 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@H](C)[NH3+])C(C)C ZINC000340186209 263084406 /nfs/dbraw/zinc/08/44/06/263084406.db2.gz ZLKFWELXCLSIIA-UONOGXRCSA-N 2 0 267.417 1.539 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000357817388 266372673 /nfs/dbraw/zinc/37/26/73/266372673.db2.gz ICYFYCTYFJCJAB-HNNXBMFYSA-N 2 0 279.428 1.627 20 30 CDEDRP C#Cc1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000289916503 275721032 /nfs/dbraw/zinc/72/10/32/275721032.db2.gz YFCWQBUTWUMMHL-INIZCTEOSA-N 2 0 285.435 1.784 20 30 CDEDRP C=CCN1CC[C@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1=O ZINC000420331217 329761497 /nfs/dbraw/zinc/76/14/97/329761497.db2.gz DJYDCTOQWBMQIM-GJZGRUSLSA-N 2 0 277.412 1.237 20 30 CDEDRP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[N@@H+]1CCCC[C@H]1C ZINC000424139422 330279039 /nfs/dbraw/zinc/27/90/39/330279039.db2.gz VGAYCMRIDMBBQI-RDBSUJKOSA-N 2 0 280.416 1.387 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000424153429 330300092 /nfs/dbraw/zinc/30/00/92/330300092.db2.gz IGDMPAPRHUFWDS-HNNXBMFYSA-N 2 0 288.395 1.385 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000424166225 330309288 /nfs/dbraw/zinc/30/92/88/330309288.db2.gz GOLQHSUQDINILW-CABCVRRESA-N 2 0 286.379 1.011 20 30 CDEDRP C#CCN(C)CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000328127065 330322569 /nfs/dbraw/zinc/32/25/69/330322569.db2.gz UROSGSGKOUYDKR-RBSFLKMASA-N 2 0 251.418 1.260 20 30 CDEDRP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424194217 330324367 /nfs/dbraw/zinc/32/43/67/330324367.db2.gz RYZNYYDRKALCCJ-OAHLLOKOSA-N 2 0 294.443 1.730 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)OCC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000490893633 332126156 /nfs/dbraw/zinc/12/61/56/332126156.db2.gz WIEYSTKVJIZRMI-INIZCTEOSA-N 2 0 292.423 1.749 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000491669805 332277236 /nfs/dbraw/zinc/27/72/36/332277236.db2.gz UUQJOUKKKXCZOH-INIZCTEOSA-N 2 0 291.439 1.465 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)CC#N ZINC000576717464 335239709 /nfs/dbraw/zinc/23/97/09/335239709.db2.gz DNWUZAFZBGDKFU-UHFFFAOYSA-N 2 0 297.447 1.061 20 30 CDEDRP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001755025211 1159505130 /nfs/dbraw/zinc/50/51/30/1159505130.db2.gz QESULWXAXSCAHO-LSDHHAIUSA-N 2 0 297.418 1.270 20 30 CDEDRP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001752505119 1159812121 /nfs/dbraw/zinc/81/21/21/1159812121.db2.gz VLCQWOVBXZTMJF-GJZGRUSLSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001753644346 1159867807 /nfs/dbraw/zinc/86/78/07/1159867807.db2.gz DUATVYSEVNTZHR-CABCVRRESA-N 2 0 279.428 1.226 20 30 CDEDRP C=CCCNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000665946471 482863937 /nfs/dbraw/zinc/86/39/37/482863937.db2.gz ZOBOCWYXXKSAGM-OAHLLOKOSA-N 2 0 296.459 1.620 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]([NH3+])[C@H](CC)C2)CC1 ZINC000669465244 483172877 /nfs/dbraw/zinc/17/28/77/483172877.db2.gz DGRGJIQKJSGHGU-UKRRQHHQSA-N 2 0 294.443 1.406 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H](C)C1 ZINC001754601626 1185679533 /nfs/dbraw/zinc/67/95/33/1185679533.db2.gz RXZLMWBPGVIVHY-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001113679556 1162253354 /nfs/dbraw/zinc/25/33/54/1162253354.db2.gz YQSYAKALVYRYHA-UHFFFAOYSA-N 2 0 293.455 1.973 20 30 CDEDRP C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCCCC2N=NC(N)=[NH2+])C1 ZINC000751516750 577046865 /nfs/dbraw/zinc/04/68/65/577046865.db2.gz MECTXRQSWONNAE-NTZNESFSSA-N 2 0 265.405 1.746 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C)C[N@@H+](C)CCCC ZINC000752936099 577135651 /nfs/dbraw/zinc/13/56/51/577135651.db2.gz YAGLDVUGLPCFQK-ZDUSSCGKSA-N 2 0 255.406 1.341 20 30 CDEDRP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000981272906 612957129 /nfs/dbraw/zinc/95/71/29/612957129.db2.gz SYHFKIWIIBMWEE-HUUCEWRRSA-N 2 0 291.439 1.511 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970177095 612962582 /nfs/dbraw/zinc/96/25/82/612962582.db2.gz MWVZVABRMZZSAP-CABCVRRESA-N 2 0 277.412 1.073 20 30 CDEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942596407 613017249 /nfs/dbraw/zinc/01/72/49/613017249.db2.gz AAPLJOQNXKZMFH-GOEBONIOSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000972480209 613082198 /nfs/dbraw/zinc/08/21/98/613082198.db2.gz YMXITWWLPURTON-HZPDHXFCSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CC[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000948779431 613178022 /nfs/dbraw/zinc/17/80/22/613178022.db2.gz NRGXMSVIORRWST-CVEARBPZSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947935220 613326979 /nfs/dbraw/zinc/32/69/79/613326979.db2.gz PLMXKQRHTIFPMO-HUUCEWRRSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000969211843 613349396 /nfs/dbraw/zinc/34/93/96/613349396.db2.gz OFYGOGHIAJFDAM-CQSZACIVSA-N 2 0 284.363 1.715 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939054796 613386782 /nfs/dbraw/zinc/38/67/82/613386782.db2.gz PFAMTGAIDPHJOY-RISCZKNCSA-N 2 0 299.846 1.517 20 30 CDEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@H]1C ZINC000961775513 613562976 /nfs/dbraw/zinc/56/29/76/613562976.db2.gz VBYUHABZZYVHIX-NYTXWWLZSA-N 2 0 277.412 1.093 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000972331851 613612405 /nfs/dbraw/zinc/61/24/05/613612405.db2.gz MRGREAROTZMWRO-CQSZACIVSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000969014218 613685434 /nfs/dbraw/zinc/68/54/34/613685434.db2.gz UJBKVMTZNANZGZ-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000947498700 613780348 /nfs/dbraw/zinc/78/03/48/613780348.db2.gz XUSJNEVQZYUPEH-CABCVRRESA-N 2 0 291.439 1.770 20 30 CDEDRP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000963344883 613859336 /nfs/dbraw/zinc/85/93/36/613859336.db2.gz XOONWJYNXAGMOC-PRLABOORSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N(CC)[C@@H]2CC[NH2+]C2)CC1 ZINC000891521180 617459963 /nfs/dbraw/zinc/45/99/63/617459963.db2.gz DBRLLVMLPLKAKH-CQSZACIVSA-N 2 0 280.416 1.030 20 30 CDEDRP C=C(C)C[NH+]1CCC(N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925609040 617552628 /nfs/dbraw/zinc/55/26/28/617552628.db2.gz NTYLCYPMOOUQPU-ZFWWWQNUSA-N 2 0 251.418 1.757 20 30 CDEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCC[C@H](C)C2)C1 ZINC000104179684 618057662 /nfs/dbraw/zinc/05/76/62/618057662.db2.gz QGCLHESWZNYRFX-UONOGXRCSA-N 2 0 266.433 1.765 20 30 CDEDRP C#CCN1CCC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000895747212 619821844 /nfs/dbraw/zinc/82/18/44/619821844.db2.gz FYXXVTVOOSNNIG-KRWDZBQOSA-N 2 0 298.434 1.738 20 30 CDEDRP CC[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cccc(C#N)c1 ZINC000902954933 625689520 /nfs/dbraw/zinc/68/95/20/625689520.db2.gz ZMSXAMYNIPLKSP-HZPDHXFCSA-N 2 0 273.380 1.666 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001167232539 1158545961 /nfs/dbraw/zinc/54/59/61/1158545961.db2.gz GRIYRLLNCHDZGN-OAHLLOKOSA-N 2 0 293.455 1.780 20 30 CDEDRP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001752159006 1159458378 /nfs/dbraw/zinc/45/83/78/1159458378.db2.gz YGJCIPSLZJHDNS-LSDHHAIUSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3)C[C@@H]2C1 ZINC001088219743 1160342110 /nfs/dbraw/zinc/34/21/10/1160342110.db2.gz SWXGEJFAOTUQOE-CABCVRRESA-N 2 0 288.395 1.240 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108756435 1162022656 /nfs/dbraw/zinc/02/26/56/1162022656.db2.gz JXTXFLYUDUQOLV-MJBXVCDLSA-N 2 0 299.846 1.660 20 30 CDEDRP C#CC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132517588 1163335069 /nfs/dbraw/zinc/33/50/69/1163335069.db2.gz FGPSFMSOXNEJBH-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001135474450 1164144353 /nfs/dbraw/zinc/14/43/53/1164144353.db2.gz QENOWSNSGJGBKY-AWEZNQCLSA-N 2 0 269.433 1.635 20 30 CDEDRP CC[NH+]1CCC(C[N@@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC001659528065 1172122830 /nfs/dbraw/zinc/12/28/30/1172122830.db2.gz SRPGSAUYAFPKOJ-CQSZACIVSA-N 2 0 251.374 1.069 20 30 CDEDRP C#CCC[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001753058138 1182206780 /nfs/dbraw/zinc/20/67/80/1182206780.db2.gz KUXMEOSZDRLASC-UHFFFAOYSA-N 2 0 293.455 1.570 20 30 CDEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CCc2cncn2C)C1 ZINC001752679849 1184893186 /nfs/dbraw/zinc/89/31/86/1184893186.db2.gz SGFMKAJGSKSKFG-HDJSIYSDSA-N 2 0 290.411 1.556 20 30 CDEDRP C#CCC[NH2+][C@@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001752909313 1184961138 /nfs/dbraw/zinc/96/11/38/1184961138.db2.gz YUZDBCMPWHJFJO-AWEZNQCLSA-N 2 0 287.407 1.479 20 30 CDEDRP C=CC[N@H+](CC)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001753091946 1185055172 /nfs/dbraw/zinc/05/51/72/1185055172.db2.gz PEVNLBSJZQKGJH-UHFFFAOYSA-N 2 0 289.423 1.986 20 30 CDEDRP C#CC[NH2+]C[C@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001753524496 1185247437 /nfs/dbraw/zinc/24/74/37/1185247437.db2.gz FTCIAIGNNFYWLQ-KRWDZBQOSA-N 2 0 293.455 1.472 20 30 CDEDRP C=CC[NH2+]CC[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001753548369 1185252982 /nfs/dbraw/zinc/25/29/82/1185252982.db2.gz NSWGBTYIQRVHCO-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001753554861 1185254372 /nfs/dbraw/zinc/25/43/72/1185254372.db2.gz JKOBQKYXXDGCTD-OAHLLOKOSA-N 2 0 279.428 1.180 20 30 CDEDRP C=C(C)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001754531727 1185662411 /nfs/dbraw/zinc/66/24/11/1185662411.db2.gz LZAKKIZTVCLTCL-ZDUSSCGKSA-N 2 0 265.401 1.143 20 30 CDEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001754567591 1185667082 /nfs/dbraw/zinc/66/70/82/1185667082.db2.gz PWJYJRJCEXZTHE-OAHLLOKOSA-N 2 0 265.401 1.049 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001754602875 1185679671 /nfs/dbraw/zinc/67/96/71/1185679671.db2.gz CLKQYVPDJBZPBF-CABCVRRESA-N 2 0 281.444 1.872 20 30 CDEDRP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001754952404 1185768638 /nfs/dbraw/zinc/76/86/38/1185768638.db2.gz BKMNTULDBSMUNP-PBHICJAKSA-N 2 0 299.418 1.681 20 30 CDEDRP C=CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001754992671 1185781018 /nfs/dbraw/zinc/78/10/18/1185781018.db2.gz MHJQCQXPDKQBFY-ZDUSSCGKSA-N 2 0 265.401 1.143 20 30 CDEDRP C=CCOCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001755163039 1185836552 /nfs/dbraw/zinc/83/65/52/1185836552.db2.gz CHGFPOMNQMBSBS-GJZGRUSLSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CC[NH2+]CC1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001755214674 1185858336 /nfs/dbraw/zinc/85/83/36/1185858336.db2.gz GQTVJHLRVQHCGN-UHFFFAOYSA-N 2 0 277.412 1.285 20 30 CDEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+](C)C(C)C)C[C@@]2(C)C1 ZINC001755460220 1185955176 /nfs/dbraw/zinc/95/51/76/1185955176.db2.gz DGOQRZVGXSVKJE-CALCHBBNSA-N 2 0 293.455 1.683 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001755664467 1186029558 /nfs/dbraw/zinc/02/95/58/1186029558.db2.gz SSAZBQHQPCRUMA-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCCC[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001755861895 1186093656 /nfs/dbraw/zinc/09/36/56/1186093656.db2.gz MQNYTQWNOGMMRO-QQFBHYJXSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[N@H+]1CC=C(CNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001755887274 1186102250 /nfs/dbraw/zinc/10/22/50/1186102250.db2.gz LKVKXNNJRLEUNY-UHFFFAOYSA-N 2 0 289.423 1.242 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001159149266 1164079660 /nfs/dbraw/zinc/07/96/60/1164079660.db2.gz XWIUGYZPYXFEHE-CYBMUJFWSA-N 2 0 273.396 1.338 20 30 CDEDRP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049729457 736344245 /nfs/dbraw/zinc/34/42/45/736344245.db2.gz VRVJEPJPMYDKNI-RRFJBIMHSA-N 2 0 277.412 1.025 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cncn2C)C1 ZINC001033590500 736496946 /nfs/dbraw/zinc/49/69/46/736496946.db2.gz RBLQNSOVEGAJSK-ZDUSSCGKSA-N 2 0 276.384 1.071 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001020463477 736556028 /nfs/dbraw/zinc/55/60/28/736556028.db2.gz DJBZUEAUKISAMT-JOCQHMNTSA-N 2 0 265.401 1.284 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000989606934 736603370 /nfs/dbraw/zinc/60/33/70/736603370.db2.gz XCOJEDYGPVCVBB-HOTGVXAUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049533052 738459475 /nfs/dbraw/zinc/45/94/75/738459475.db2.gz LZVSJPMWFQOULQ-JYJNAYRXSA-N 2 0 293.455 1.824 20 30 CDEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001034735420 736645478 /nfs/dbraw/zinc/64/54/78/736645478.db2.gz GXCCUPNKOQLULU-KKUMJFAQSA-N 2 0 277.412 1.121 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001055015132 736661204 /nfs/dbraw/zinc/66/12/04/736661204.db2.gz OEXIJRYTPZXOJR-TZMCWYRMSA-N 2 0 289.379 1.025 20 30 CDEDRP C=C(C)C[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000989728713 736666914 /nfs/dbraw/zinc/66/69/14/736666914.db2.gz SKFPICBKBXIBCK-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP CNC(NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)=[NH+]C ZINC000303256653 736928544 /nfs/dbraw/zinc/92/85/44/736928544.db2.gz ILOAZVSALAINGM-TXEJJXNPSA-N 2 0 254.422 1.538 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001015795048 736977231 /nfs/dbraw/zinc/97/72/31/736977231.db2.gz KXANSNMTIVEWKF-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC)C2)CC1 ZINC001072095459 737048368 /nfs/dbraw/zinc/04/83/68/737048368.db2.gz IPYVYUIBYQJYJK-GDBMZVCRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001019380774 737048581 /nfs/dbraw/zinc/04/85/81/737048581.db2.gz MAPDAGSAMCMWLH-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP CC(C)[C@@H](CNC(=[NH2+])NC(C)(C)C)[NH+]1CCCC1 ZINC000104160933 737287485 /nfs/dbraw/zinc/28/74/85/737287485.db2.gz SRSAJMVPRKUHOV-GFCCVEGCSA-N 2 0 254.422 1.810 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CC ZINC001037925877 737424038 /nfs/dbraw/zinc/42/40/38/737424038.db2.gz OSBWYZVWSOATDB-GOEBONIOSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049893750 737517811 /nfs/dbraw/zinc/51/78/11/737517811.db2.gz FACZEPRKNIAMHW-HOTGVXAUSA-N 2 0 289.423 1.171 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999976688 737629389 /nfs/dbraw/zinc/62/93/89/737629389.db2.gz YLOLYSSOYOTGCC-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001015614499 737706167 /nfs/dbraw/zinc/70/61/67/737706167.db2.gz BJAQQOSSOOPSCA-KKUMJFAQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001033774427 737741245 /nfs/dbraw/zinc/74/12/45/737741245.db2.gz JJAUDZDFFARWCM-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000262021121 737799830 /nfs/dbraw/zinc/79/98/30/737799830.db2.gz XVFOGJPVPLTKOT-CYBMUJFWSA-N 2 0 252.406 1.587 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001054852937 738032312 /nfs/dbraw/zinc/03/23/12/738032312.db2.gz AKJNYCVKYHSRBO-CABCVRRESA-N 2 0 291.439 1.627 20 30 CDEDRP N#Cc1ccc(NCC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])nc1 ZINC000925893015 738042841 /nfs/dbraw/zinc/04/28/41/738042841.db2.gz JQRPWWCXFYGIIH-UONOGXRCSA-N 2 0 273.384 1.615 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033663505 738042914 /nfs/dbraw/zinc/04/29/14/738042914.db2.gz WHOSDSYJMGYJSS-KBPBESRZSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1C[NH2+]CCOC1)C(C)C ZINC000925538707 738050437 /nfs/dbraw/zinc/05/04/37/738050437.db2.gz WCWSJTFWFYAIDB-HZPDHXFCSA-N 2 0 281.444 1.263 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033659570 738107485 /nfs/dbraw/zinc/10/74/85/738107485.db2.gz DFYYUAAEEPMNCX-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027962649 738154454 /nfs/dbraw/zinc/15/44/54/738154454.db2.gz XNLWPOYIDKTNSL-HNNXBMFYSA-N 2 0 289.423 1.076 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001007456288 738154975 /nfs/dbraw/zinc/15/49/75/738154975.db2.gz FUWURIZSNKUGBI-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000998993585 738228083 /nfs/dbraw/zinc/22/80/83/738228083.db2.gz GTTIVXKCGJXHAX-NRXISQOPSA-N 2 0 279.428 1.626 20 30 CDEDRP C[C@H]1C[NH+](CCCNC(=[NH2+])N2CCCCC2)C[C@H](C)O1 ZINC000303782821 738359058 /nfs/dbraw/zinc/35/90/58/738359058.db2.gz NQWVHVSIEPZATP-KBPBESRZSA-N 2 0 282.432 1.286 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027883902 738361041 /nfs/dbraw/zinc/36/10/41/738361041.db2.gz DSYXBRFEGDREOP-HZPDHXFCSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001046318278 738376452 /nfs/dbraw/zinc/37/64/52/738376452.db2.gz WRWRLTZAAOIORC-WBVHZDCISA-N 2 0 291.439 1.463 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCCCC[N@@H+]1CCCC[C@H]1C ZINC000104169825 738622597 /nfs/dbraw/zinc/62/25/97/738622597.db2.gz RSLJXLJIMKKRBA-UONOGXRCSA-N 2 0 284.448 1.580 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001017944519 738731978 /nfs/dbraw/zinc/73/19/78/738731978.db2.gz MAXFJAWVXAZYDC-CAOSSQGBSA-N 2 0 291.439 1.435 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001072541638 738782281 /nfs/dbraw/zinc/78/22/81/738782281.db2.gz AVZMKWBTGNORIB-CQSZACIVSA-N 2 0 277.412 1.191 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCCCCCCC[NH+]2CCCC2)N1 ZINC000848996981 738801271 /nfs/dbraw/zinc/80/12/71/738801271.db2.gz CPVJSSHNQKODNO-CQSZACIVSA-N 2 0 266.433 1.970 20 30 CDEDRP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001041405086 738814629 /nfs/dbraw/zinc/81/46/29/738814629.db2.gz ZEGMSYMLDUHCGT-WBVHZDCISA-N 2 0 291.439 1.274 20 30 CDEDRP C[C@H]1C[NH+]=C(NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)N1 ZINC000848989771 738849456 /nfs/dbraw/zinc/84/94/56/738849456.db2.gz ADURZWMSLXACIR-MJBXVCDLSA-N 2 0 266.433 1.682 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033082870 738866507 /nfs/dbraw/zinc/86/65/07/738866507.db2.gz UWCJNPXVLIHTCP-HZPDHXFCSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC)C2)CC1 ZINC000995231616 738868772 /nfs/dbraw/zinc/86/87/72/738868772.db2.gz NJEGBQQFLNILQW-ZBFHGGJFSA-N 2 0 291.439 1.226 20 30 CDEDRP C=CCNC(=[NH2+])NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195164842 738889700 /nfs/dbraw/zinc/88/97/00/738889700.db2.gz YCFGFNODCQWYLK-HNNXBMFYSA-N 2 0 272.396 1.599 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001036192170 739063876 /nfs/dbraw/zinc/06/38/76/739063876.db2.gz IXSHMUZWDMDZRY-LSDHHAIUSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC000993562906 736361251 /nfs/dbraw/zinc/36/12/51/736361251.db2.gz GAQIEJJMGKNNLH-HUUCEWRRSA-N 2 0 291.439 1.770 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001036299752 736381311 /nfs/dbraw/zinc/38/13/11/736381311.db2.gz RSWGZPFFSAPYJD-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP N#CC1(C[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCC1 ZINC000886019420 736421763 /nfs/dbraw/zinc/42/17/63/736421763.db2.gz UDBRQTGWJLSIKJ-CVEARBPZSA-N 2 0 291.439 1.849 20 30 CDEDRP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001054099083 736592278 /nfs/dbraw/zinc/59/22/78/736592278.db2.gz AHVCVTMASLUKRT-RDJZCZTQSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075906009 736618760 /nfs/dbraw/zinc/61/87/60/736618760.db2.gz DVNRCBZZIIGFEZ-HRCADAONSA-N 2 0 291.439 1.580 20 30 CDEDRP C[C@H]1CNC(NN=C2CCCC[C@@H]2[NH+]2CCCCC2)=[NH+]1 ZINC000779795838 736710088 /nfs/dbraw/zinc/71/00/88/736710088.db2.gz YXWWHMXRAFZAQK-JSGCOSHPSA-N 2 0 277.416 1.708 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001022202136 736790941 /nfs/dbraw/zinc/79/09/41/736790941.db2.gz RJKWSLDPDITOLF-LZWOXQAQSA-N 2 0 289.423 1.263 20 30 CDEDRP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001028092815 736799529 /nfs/dbraw/zinc/79/95/29/736799529.db2.gz DNLKHSZZTPQVLZ-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1(C)C ZINC000995876866 736807767 /nfs/dbraw/zinc/80/77/67/736807767.db2.gz BEUKDBPXWBROLN-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001835525 736890125 /nfs/dbraw/zinc/89/01/25/736890125.db2.gz WZSBTZOJRBNJMS-UKRRQHHQSA-N 2 0 279.428 1.198 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001072983345 736978494 /nfs/dbraw/zinc/97/84/94/736978494.db2.gz SIMHEOTUMHKNFR-HNNXBMFYSA-N 2 0 291.439 1.439 20 30 CDEDRP CC[NH+]=C(NC[C@H](C)N1CC[NH+](CC)CC1)NC(C)(C)C ZINC000303489956 737010342 /nfs/dbraw/zinc/01/03/42/737010342.db2.gz XLBDDWCRNXSCHR-AWEZNQCLSA-N 2 0 297.491 1.366 20 30 CDEDRP COc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1C#N ZINC000817916022 737017880 /nfs/dbraw/zinc/01/78/80/737017880.db2.gz UATJVCZQCLEDFB-NILFDRSVSA-N 2 0 289.379 1.409 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001074939559 737054686 /nfs/dbraw/zinc/05/46/86/737054686.db2.gz GATDRQDAZDHZHU-XHSDSOJGSA-N 2 0 291.439 1.463 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072080892 737108608 /nfs/dbraw/zinc/10/86/08/737108608.db2.gz DDMOHKWRJDUFKO-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039321495 737139664 /nfs/dbraw/zinc/13/96/64/737139664.db2.gz BDJKVPKSAIFPPL-HNSVSWJLSA-N 2 0 291.439 1.626 20 30 CDEDRP CC#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001033199527 737274400 /nfs/dbraw/zinc/27/44/00/737274400.db2.gz UMFJMYUKMXQPNU-HUUCEWRRSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001019203523 737281310 /nfs/dbraw/zinc/28/13/10/737281310.db2.gz UYIWEMMNNWTUOY-HNNXBMFYSA-N 2 0 294.358 1.310 20 30 CDEDRP C=C(C)C[NH2+]C1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001026592787 737354558 /nfs/dbraw/zinc/35/45/58/737354558.db2.gz PVSDAQGGHPKZSZ-FHERZECASA-N 2 0 293.455 1.921 20 30 CDEDRP CC[N@@H+]1CC[C@H](CNC(=[NH+]C)N2CC[C@]3(CCOC3)C2)C1 ZINC000158144317 738967904 /nfs/dbraw/zinc/96/79/04/738967904.db2.gz CUBSZPICICMJBT-ZBFHGGJFSA-N 2 0 294.443 1.016 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001034763234 737695183 /nfs/dbraw/zinc/69/51/83/737695183.db2.gz LEPRXSGXRZXGJV-WKILWMFISA-N 2 0 293.455 1.921 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000998867301 737715204 /nfs/dbraw/zinc/71/52/04/737715204.db2.gz QMPIMPSYZWRBQW-YMAMQOFZSA-N 2 0 277.412 1.073 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001052713262 737858789 /nfs/dbraw/zinc/85/87/89/737858789.db2.gz UMDOLSYDPCFXDW-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001027650415 737930950 /nfs/dbraw/zinc/93/09/50/737930950.db2.gz GFEJYOZONVRJLL-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C[C@@H]([NH3+])c1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1 ZINC000884037513 738105478 /nfs/dbraw/zinc/10/54/78/738105478.db2.gz BVQAMVDHFLXKBL-DHFKXCJNSA-N 2 0 298.390 1.784 20 30 CDEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001050456769 738211868 /nfs/dbraw/zinc/21/18/68/738211868.db2.gz SPGQSUSMUHMRIQ-OAHLLOKOSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992486175 738356673 /nfs/dbraw/zinc/35/66/73/738356673.db2.gz CGJXQIBXYBDXCH-HLLBOEOZSA-N 2 0 291.439 1.627 20 30 CDEDRP C[C@@H]1CNC(NN=C2CCCC[C@@H]2[NH+]2CCCCC2)=[NH+]1 ZINC000779795839 739025092 /nfs/dbraw/zinc/02/50/92/739025092.db2.gz YXWWHMXRAFZAQK-OCCSQVGLSA-N 2 0 277.416 1.708 20 30 CDEDRP CCC1([NH+]2CCC2)CCN(CCO[C@@H](C)C#N)CC1 ZINC000886718375 739032112 /nfs/dbraw/zinc/03/21/12/739032112.db2.gz YEZIRLRFEWKPHV-AWEZNQCLSA-N 2 0 265.401 1.865 20 30 CDEDRP C#CCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071796764 739046772 /nfs/dbraw/zinc/04/67/72/739046772.db2.gz WYWRXLWCFNXCGA-GOEBONIOSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001015031308 739151065 /nfs/dbraw/zinc/15/10/65/739151065.db2.gz DQISMYDKNMVADF-CQSZACIVSA-N 2 0 296.374 1.470 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001088922597 912297244 /nfs/dbraw/zinc/29/72/44/912297244.db2.gz SFSSHLNKKOMTLI-PBHICJAKSA-N 2 0 299.418 1.574 20 30 CDEDRP C[NH+]1CCN(CC[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173586530 912633514 /nfs/dbraw/zinc/63/35/14/912633514.db2.gz AMQIRXNIVPTXOC-UHFFFAOYSA-N 2 0 264.417 1.296 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106591190 914051504 /nfs/dbraw/zinc/05/15/04/914051504.db2.gz QVEXWSPJWGOETA-ZIAGYGMSSA-N 2 0 279.428 1.198 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001104595040 898775790 /nfs/dbraw/zinc/77/57/90/898775790.db2.gz GZBBBNBQIAPDRA-HUUCEWRRSA-N 2 0 291.439 1.036 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001106779358 914295368 /nfs/dbraw/zinc/29/53/68/914295368.db2.gz KVQMQVKAXJXFAF-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C[C@@H](F)CC)CC1 ZINC001176926214 914357859 /nfs/dbraw/zinc/35/78/59/914357859.db2.gz JNWYACVAJAFBBZ-HNNXBMFYSA-N 2 0 297.418 1.176 20 30 CDEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001105064201 899839398 /nfs/dbraw/zinc/83/93/98/899839398.db2.gz BZWNSOVWCCKPDJ-HZPDHXFCSA-N 2 0 295.471 1.977 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001223525359 901602140 /nfs/dbraw/zinc/60/21/40/901602140.db2.gz SCTCXUWGSJAWNR-HNNXBMFYSA-N 2 0 279.428 1.034 20 30 CDEDRP C=CCCCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481709218 901875549 /nfs/dbraw/zinc/87/55/49/901875549.db2.gz BHYCRAQGEGERCL-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CC[NH+](C)C ZINC001177405206 914660191 /nfs/dbraw/zinc/66/01/91/914660191.db2.gz IFNOCMSYVRHNAH-UHFFFAOYSA-N 2 0 293.455 1.570 20 30 CDEDRP C=C(Cl)CNC(N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)=[NH+]C ZINC000261806235 903120504 /nfs/dbraw/zinc/12/05/04/903120504.db2.gz RZEHEUSQCWQYAH-BXKDBHETSA-N 2 0 270.808 1.387 20 30 CDEDRP C#CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001270866764 905233634 /nfs/dbraw/zinc/23/36/34/905233634.db2.gz HZUHKECXQUTMIL-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@H]1CC ZINC001087593810 905710723 /nfs/dbraw/zinc/71/07/23/905710723.db2.gz XDDUCPUZICBKAR-ARFHVFGLSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001171508205 910808642 /nfs/dbraw/zinc/80/86/42/910808642.db2.gz BOKQWAXSHZDKEW-HUUCEWRRSA-N 2 0 281.444 1.615 20 30 CDEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001171508211 910808863 /nfs/dbraw/zinc/80/88/63/910808863.db2.gz BRNOBIVWJDVWQS-HUUCEWRRSA-N 2 0 281.444 1.615 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C ZINC001088859643 911986919 /nfs/dbraw/zinc/98/69/19/911986919.db2.gz IGADYIKDLWLRIH-ZNMIVQPWSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001178045829 915124575 /nfs/dbraw/zinc/12/45/75/915124575.db2.gz WVXCXRCHLALVFP-OAHLLOKOSA-N 2 0 281.444 1.923 20 30 CDEDRP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001484101599 915433878 /nfs/dbraw/zinc/43/38/78/915433878.db2.gz MRDYUNADXLOISK-DOTOQJQBSA-N 2 0 293.455 1.424 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001180204131 916193502 /nfs/dbraw/zinc/19/35/02/916193502.db2.gz IEJQKCFPIKIJGY-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001052956568 936405368 /nfs/dbraw/zinc/40/53/68/936405368.db2.gz VAOHHTOVLYXBKP-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001181930783 917477273 /nfs/dbraw/zinc/47/72/73/917477273.db2.gz HFLHUPDRDMJNSM-BFYDXBDKSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001182517430 917928864 /nfs/dbraw/zinc/92/88/64/917928864.db2.gz UANWMDNTUGASEK-BFYDXBDKSA-N 2 0 293.455 1.280 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC1(C)C ZINC000996042733 918200753 /nfs/dbraw/zinc/20/07/53/918200753.db2.gz LXYIWNNTCIFGLA-OAHLLOKOSA-N 2 0 296.374 1.408 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001183040840 918267114 /nfs/dbraw/zinc/26/71/14/918267114.db2.gz YJVBSZDNNKXMTJ-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001183091566 918282379 /nfs/dbraw/zinc/28/23/79/918282379.db2.gz IPHDEQDMUBTHEL-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001183843392 918712885 /nfs/dbraw/zinc/71/28/85/918712885.db2.gz APRIGVWQRDJNJG-CQSZACIVSA-N 2 0 296.374 1.470 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001202862435 936563943 /nfs/dbraw/zinc/56/39/43/936563943.db2.gz BJUWCRKSBAYAFQ-ZDUSSCGKSA-N 2 0 290.411 1.745 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001185682999 919702063 /nfs/dbraw/zinc/70/20/63/919702063.db2.gz VOUAOBQWPOGYAO-HZPDHXFCSA-N 2 0 291.439 1.180 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001185682998 919703832 /nfs/dbraw/zinc/70/38/32/919703832.db2.gz VOUAOBQWPOGYAO-HOTGVXAUSA-N 2 0 291.439 1.180 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001185723858 919730315 /nfs/dbraw/zinc/73/03/15/919730315.db2.gz QLSYLUCFSBUXPI-CQSZACIVSA-N 2 0 281.444 1.731 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001186555589 920071703 /nfs/dbraw/zinc/07/17/03/920071703.db2.gz SCXICYITEQCMGK-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001187034505 920337889 /nfs/dbraw/zinc/33/78/89/920337889.db2.gz HWGOXKIWMKNFFQ-IAGOWNOFSA-N 2 0 299.418 1.503 20 30 CDEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190325477 921962005 /nfs/dbraw/zinc/96/20/05/921962005.db2.gz VYNKXPOPMGHFRN-JKSUJKDBSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033582761 922270093 /nfs/dbraw/zinc/27/00/93/922270093.db2.gz QMEOWEMTAIARLD-KBPBESRZSA-N 2 0 265.401 1.047 20 30 CDEDRP C#Cc1ccccc1C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+] ZINC001191128259 922415207 /nfs/dbraw/zinc/41/52/07/922415207.db2.gz GLOWWJZCCQPWTH-UHFFFAOYSA-N 2 0 286.379 1.345 20 30 CDEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001034659406 922708843 /nfs/dbraw/zinc/70/88/43/922708843.db2.gz SMRNGQCRZOHRCJ-BZUAXINKSA-N 2 0 291.439 1.511 20 30 CDEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192018455 922876491 /nfs/dbraw/zinc/87/64/91/922876491.db2.gz UXLCVVNTRRBPIK-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001192316634 923006722 /nfs/dbraw/zinc/00/67/22/923006722.db2.gz PJXSLHZHPITODU-HUUCEWRRSA-N 2 0 281.444 1.826 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192385318 923050607 /nfs/dbraw/zinc/05/06/07/923050607.db2.gz GAAIPNSYYDJXLL-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001036160004 923114710 /nfs/dbraw/zinc/11/47/10/923114710.db2.gz ISDZXIYFOWKPTN-ZBFHGGJFSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192960775 923340153 /nfs/dbraw/zinc/34/01/53/923340153.db2.gz UMTNWMRBICUFNK-CYBMUJFWSA-N 2 0 253.390 1.047 20 30 CDEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194245574 924132615 /nfs/dbraw/zinc/13/26/15/924132615.db2.gz CQQZBUJKJGGHNY-INIZCTEOSA-N 2 0 291.439 1.418 20 30 CDEDRP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001079843678 924436596 /nfs/dbraw/zinc/43/65/96/924436596.db2.gz DQOALCCMTNRNST-OWCLPIDISA-N 2 0 293.455 1.587 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100985753 936950915 /nfs/dbraw/zinc/95/09/15/936950915.db2.gz ACBHWWUQCKYJIP-UHFFFAOYSA-N 2 0 279.428 1.533 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001164455930 924894162 /nfs/dbraw/zinc/89/41/62/924894162.db2.gz JSYUULPMKYYQOM-OAHLLOKOSA-N 2 0 279.428 1.228 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001082570565 924960591 /nfs/dbraw/zinc/96/05/91/924960591.db2.gz QPQWLJSWHWCYBJ-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCC[N@H+]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001197142524 925055904 /nfs/dbraw/zinc/05/59/04/925055904.db2.gz XTUIDYIQFGVJSO-INIZCTEOSA-N 2 0 293.455 1.664 20 30 CDEDRP C=CCC[N@@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198252980 925378104 /nfs/dbraw/zinc/37/81/04/925378104.db2.gz YXOQNWJOJAPUNT-UHFFFAOYSA-N 2 0 293.455 1.973 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084778020 925423547 /nfs/dbraw/zinc/42/35/47/925423547.db2.gz AWUHNYYNEIXYAX-HUUCEWRRSA-N 2 0 289.423 1.191 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152471542 925464884 /nfs/dbraw/zinc/46/48/84/925464884.db2.gz LYADFIWNDOWNJP-ZDUSSCGKSA-N 2 0 287.835 1.565 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001199787826 925859395 /nfs/dbraw/zinc/85/93/95/925859395.db2.gz DTSCFFPNAYKQMG-HNNXBMFYSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001085394983 925930461 /nfs/dbraw/zinc/93/04/61/925930461.db2.gz ONDOMOZSMRHWTI-ZIAGYGMSSA-N 2 0 277.412 1.285 20 30 CDEDRP CC#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001085606329 926205816 /nfs/dbraw/zinc/20/58/16/926205816.db2.gz JVCPRIRWJBMIEL-OWCLPIDISA-N 2 0 291.439 1.273 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085674964 926266543 /nfs/dbraw/zinc/26/65/43/926266543.db2.gz IHCHPANCTBTATM-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001201461839 926299156 /nfs/dbraw/zinc/29/91/56/926299156.db2.gz CFWSBXKUACJOOT-UHFFFAOYSA-N 2 0 296.374 1.552 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001202473666 926756255 /nfs/dbraw/zinc/75/62/55/926756255.db2.gz NIAWDNZDQPDZLD-MRXNPFEDSA-N 2 0 293.455 1.711 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001086277928 926932550 /nfs/dbraw/zinc/93/25/50/926932550.db2.gz AFZCQYCURAPEJU-OWCLPIDISA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001086402585 927080832 /nfs/dbraw/zinc/08/08/32/927080832.db2.gz YODWMDWSLSNPJB-IHRRRGAJSA-N 2 0 299.846 1.708 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001086412034 927094375 /nfs/dbraw/zinc/09/43/75/927094375.db2.gz GUPODKLIQKYSKZ-HDJSIYSDSA-N 2 0 296.374 1.374 20 30 CDEDRP C[C@@H]([NH3+])c1ccn(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)n1 ZINC001169235380 927816025 /nfs/dbraw/zinc/81/60/25/927816025.db2.gz VMZDBYDAHUPLKO-VDCVXVNISA-N 2 0 282.351 1.985 20 30 CDEDRP C=CC[NH+]1CCCO[C@H](CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001149936517 937211416 /nfs/dbraw/zinc/21/14/16/937211416.db2.gz HIGCJMAVVXHUGU-CQSZACIVSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855562 937244641 /nfs/dbraw/zinc/24/46/41/937244641.db2.gz BDFKWLFVEQIVOW-YOEHRIQHSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001108749681 928628596 /nfs/dbraw/zinc/62/85/96/928628596.db2.gz HUQZWXPERJJXIY-KKUMJFAQSA-N 2 0 291.439 1.483 20 30 CDEDRP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001115304128 937346140 /nfs/dbraw/zinc/34/61/40/937346140.db2.gz OUDWGLSDSZGTDQ-LJIGWXMPSA-N 2 0 293.455 1.728 20 30 CDEDRP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135861823 930481144 /nfs/dbraw/zinc/48/11/44/930481144.db2.gz XXFHUIXDHOBAEY-GJZGRUSLSA-N 2 0 299.459 1.404 20 30 CDEDRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H](O)CC3(C#N)CCC3)C2)C1 ZINC000886215833 930829614 /nfs/dbraw/zinc/82/96/14/930829614.db2.gz RYSSJUOJFUFXQB-GDBMZVCRSA-N 2 0 277.412 1.459 20 30 CDEDRP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001153727630 937464213 /nfs/dbraw/zinc/46/42/13/937464213.db2.gz FCMJZWARRUCQAN-HZPDHXFCSA-N 2 0 293.455 1.711 20 30 CDEDRP C#CCC1([NH2+]CC[C@H]2CCC[N@H+]2C)CCOCC1 ZINC000887123384 931020971 /nfs/dbraw/zinc/02/09/71/931020971.db2.gz MXCKQYVDNURUJV-CQSZACIVSA-N 2 0 250.386 1.633 20 30 CDEDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(C#N)nc1)C2 ZINC001275296262 931729243 /nfs/dbraw/zinc/72/92/43/931729243.db2.gz XQAKIYPFTKIIQP-WBVHZDCISA-N 2 0 299.422 1.021 20 30 CDEDRP CN(C)/C=[NH+]/c1ccc(NCC(C)(C)[NH3+])cc1C#N ZINC001171192274 931856701 /nfs/dbraw/zinc/85/67/01/931856701.db2.gz AIZURPZMKQDGJG-VCHYOVAHSA-N 2 0 259.357 1.929 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146602331 932269629 /nfs/dbraw/zinc/26/96/29/932269629.db2.gz SDAURNZFMJAAPY-KGLIPLIRSA-N 2 0 269.433 1.776 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC)CC1 ZINC001146608962 932272048 /nfs/dbraw/zinc/27/20/48/932272048.db2.gz BKYBGEQBRYWVLN-ZIAGYGMSSA-N 2 0 279.428 1.224 20 30 CDEDRP CC#CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC1 ZINC001326835184 932624594 /nfs/dbraw/zinc/62/45/94/932624594.db2.gz RPIXKVNJGCGUHA-AWEZNQCLSA-N 2 0 279.428 1.224 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001171317707 932636174 /nfs/dbraw/zinc/63/61/74/932636174.db2.gz KFDKPICIPRMJFP-HZPDHXFCSA-N 2 0 293.455 1.759 20 30 CDEDRP C#CCC[N@H+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148625718 932764574 /nfs/dbraw/zinc/76/45/74/932764574.db2.gz HSJNIJSDMPKYFI-UHFFFAOYSA-N 2 0 291.439 1.276 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001148657281 932774939 /nfs/dbraw/zinc/77/49/39/932774939.db2.gz RTBVZNGMGLGHGH-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP CC(C)[C@@H](CNC(=[NH2+])N1CCSCC1)[NH+]1CCCC1 ZINC000303784845 935043297 /nfs/dbraw/zinc/04/32/97/935043297.db2.gz PTYORJVJMHGGJT-CYBMUJFWSA-N 2 0 284.473 1.470 20 30 CDEDRP CC(C)CNC(=[NH2+])NCC1(C[NH+](C)C)CCCC1 ZINC000305806762 935218231 /nfs/dbraw/zinc/21/82/31/935218231.db2.gz GVDXHRWGXBZBKC-UHFFFAOYSA-N 2 0 254.422 1.669 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001020149906 935729126 /nfs/dbraw/zinc/72/91/26/935729126.db2.gz GXVBTUXBBMBJNX-ZQDZILKHSA-N 2 0 277.412 1.284 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC001121911263 937889711 /nfs/dbraw/zinc/88/97/11/937889711.db2.gz RUXDEMQTMIWYBA-CABCVRRESA-N 2 0 281.444 1.908 20 30 CDEDRP C=CC[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156199618 938333761 /nfs/dbraw/zinc/33/37/61/938333761.db2.gz DFVBSODUEJZGNN-CYBMUJFWSA-N 2 0 255.406 1.341 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158744654 938659356 /nfs/dbraw/zinc/65/93/56/938659356.db2.gz QSXKCOHIDXMFEV-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP CC#CC[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161107053 938872055 /nfs/dbraw/zinc/87/20/55/938872055.db2.gz WPZNAGCZTBCRBH-UHFFFAOYSA-N 2 0 277.412 1.100 20 30 CDEDRP COc1cc(NCCC[NH2+]CCCC[NH3+])ncc1C#N ZINC001162289273 938971946 /nfs/dbraw/zinc/97/19/46/938971946.db2.gz MTVGEGWMKPDIIF-UHFFFAOYSA-N 2 0 277.372 1.092 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ncc(C#N)cc1Cl ZINC001163123027 939205299 /nfs/dbraw/zinc/20/52/99/939205299.db2.gz VSRBTKMUVDBDNU-UHFFFAOYSA-N 2 0 294.790 1.885 20 30 CDEDRP C[NH+](C)C1(C)CN(c2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001165117695 939512508 /nfs/dbraw/zinc/51/25/08/939512508.db2.gz ZNXOIDONZTXNLP-UHFFFAOYSA-N 2 0 285.395 1.129 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165359487 939551309 /nfs/dbraw/zinc/55/13/09/939551309.db2.gz BVMRMFOVFNPEEO-UHFFFAOYSA-N 2 0 255.406 1.390 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001166448510 939608907 /nfs/dbraw/zinc/60/89/07/939608907.db2.gz UZCQZICJKUWVDL-AWEZNQCLSA-N 2 0 269.433 1.779 20 30 CDEDRP N#CCc1ccccc1C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205247934 939842297 /nfs/dbraw/zinc/84/22/97/939842297.db2.gz KZHJFHBHWZBXJX-MRXNPFEDSA-N 2 0 273.380 1.428 20 30 CDEDRP COc1cc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)ccc1C#N ZINC001205248921 939842681 /nfs/dbraw/zinc/84/26/81/939842681.db2.gz TYXBCFQPSINKKQ-INIZCTEOSA-N 2 0 289.379 1.243 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001205334063 939882533 /nfs/dbraw/zinc/88/25/33/939882533.db2.gz ASEGHEIUYPRQPG-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP N#CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206166466 939989874 /nfs/dbraw/zinc/98/98/74/939989874.db2.gz SNWZCNQBSWXULE-LSDHHAIUSA-N 2 0 277.343 1.850 20 30 CDEDRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cccc(C#N)n2)CC1 ZINC001206317540 940017317 /nfs/dbraw/zinc/01/73/17/940017317.db2.gz GRRWMGJGZJRAJT-HNNXBMFYSA-N 2 0 258.369 1.904 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001206928639 940113069 /nfs/dbraw/zinc/11/30/69/940113069.db2.gz CYZBGIFXCUDHAO-UHFFFAOYSA-N 2 0 279.428 1.487 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001206954355 940117527 /nfs/dbraw/zinc/11/75/27/940117527.db2.gz FKWUYSRQLSLRBC-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001208073784 940283457 /nfs/dbraw/zinc/28/34/57/940283457.db2.gz OZFQWTQWCJDBCN-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001208278875 940314231 /nfs/dbraw/zinc/31/42/31/940314231.db2.gz CDGOEYFJDKIMIH-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP CC[NH+]1CCC(C[NH+]2CCC(C#N)(C(=O)OC)CC2)CC1 ZINC001208604053 940349580 /nfs/dbraw/zinc/34/95/80/940349580.db2.gz KHPLZOQNKBWHMU-UHFFFAOYSA-N 2 0 293.411 1.497 20 30 CDEDRP C=CCN(CCN1CC[C@@]2(CC[N@H+](C)C2)C1)C(=O)OCC ZINC001209019999 940424499 /nfs/dbraw/zinc/42/44/99/940424499.db2.gz ASSLMCPFXCOLAL-MRXNPFEDSA-N 2 0 295.427 1.659 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001210198718 940671196 /nfs/dbraw/zinc/67/11/96/940671196.db2.gz QKRSHKOMXLDPRG-JKSUJKDBSA-N 2 0 293.455 1.567 20 30 CDEDRP N#Cc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cn1 ZINC001210262470 940676045 /nfs/dbraw/zinc/67/60/45/940676045.db2.gz GQDDYNWBBMMNPE-UHFFFAOYSA-N 2 0 280.335 1.501 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210683753 940706156 /nfs/dbraw/zinc/70/61/56/940706156.db2.gz AQFDCIWZYADELK-OAHLLOKOSA-N 2 0 291.439 1.629 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215058557 940854067 /nfs/dbraw/zinc/85/40/67/940854067.db2.gz WYROEPQNTBKUGY-HUUCEWRRSA-N 2 0 289.423 1.075 20 30 CDEDRP C=C1CC[NH2+]C[C@@H]1Oc1ccccc1N1CC[NH2+]CC1 ZINC001218208989 941044073 /nfs/dbraw/zinc/04/40/73/941044073.db2.gz SGIBGQJWGLJJQT-INIZCTEOSA-N 2 0 273.380 1.393 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC001220868335 941478815 /nfs/dbraw/zinc/47/88/15/941478815.db2.gz GOEFHLYUSMPPRO-IHRRRGAJSA-N 2 0 265.401 1.141 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001225207417 941830439 /nfs/dbraw/zinc/83/04/39/941830439.db2.gz QMDGOUCTLRVTCN-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001230113220 942584154 /nfs/dbraw/zinc/58/41/54/942584154.db2.gz XUGQAWXBYSUCEX-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C#Cc1cccc(CN2CCN(CCC[NH+](C)C)CC2)c1 ZINC001231664336 942968621 /nfs/dbraw/zinc/96/86/21/942968621.db2.gz ZWWPNQVMCZBVJW-UHFFFAOYSA-N 2 0 285.435 1.737 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001263095178 943741214 /nfs/dbraw/zinc/74/12/14/943741214.db2.gz FYQYHMPSXSIEGN-KKUMJFAQSA-N 2 0 281.444 1.907 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001277883251 943942979 /nfs/dbraw/zinc/94/29/79/943942979.db2.gz DULHMYSFTOAGGO-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+]CCN1CC[NH2+]C[C@@H]1Cc1ccccc1 ZINC001235847921 944297458 /nfs/dbraw/zinc/29/74/58/944297458.db2.gz OBLSOMFGENCJMH-INIZCTEOSA-N 2 0 259.397 1.279 20 30 CDEDRP N#Cc1cc(CN(CC[NH3+])CC[NH3+])ccc1Br ZINC001235877530 944306206 /nfs/dbraw/zinc/30/62/06/944306206.db2.gz NARZBQBHAMFBKJ-UHFFFAOYSA-N 2 0 297.200 1.040 20 30 CDEDRP CCCCCCCC[C@@H](O)C[N@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246036907 947914031 /nfs/dbraw/zinc/91/40/31/947914031.db2.gz ZTDXLYZJYFZTBL-KBXIAJHMSA-N 2 0 254.418 1.987 20 30 CDEDRP C=CCOC(=O)[C@H](CCCC[NH3+])NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246312303 948100698 /nfs/dbraw/zinc/10/06/98/948100698.db2.gz NOZZPBCSGJKMOL-IXXDHKBRSA-N 2 0 295.427 1.086 20 30 CDEDRP C=CCOC1CCC([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CC1 ZINC001246592791 948325634 /nfs/dbraw/zinc/32/56/34/948325634.db2.gz CQHSKDPXPGGZPZ-UHFFFAOYSA-N 2 0 293.455 1.528 20 30 CDEDRP N#CCCN1CC[NH+](C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256860477 948438234 /nfs/dbraw/zinc/43/82/34/948438234.db2.gz BRBFYNXBMXTTJU-UHFFFAOYSA-N 2 0 299.422 1.582 20 30 CDEDRP N#CC1CCC([NH+]2CCN(CCCC[NH3+])CC2)CC1 ZINC001256964118 948465421 /nfs/dbraw/zinc/46/54/21/948465421.db2.gz VNOQFZVORJFDCZ-UHFFFAOYSA-N 2 0 264.417 1.425 20 30 CDEDRP C#CCOC[C@@H](O)C[NH2+]CC1CC[NH+](C(CC)CC)CC1 ZINC001251897185 950931177 /nfs/dbraw/zinc/93/11/77/950931177.db2.gz VIVPUPGBZUJTIA-KRWDZBQOSA-N 2 0 296.455 1.487 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001493255473 955887608 /nfs/dbraw/zinc/88/76/08/955887608.db2.gz UQDLPHCYQGEJLN-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001317006970 956921477 /nfs/dbraw/zinc/92/14/77/956921477.db2.gz USXNJRWKYXEZBO-MRXNPFEDSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCOCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001331489468 957098351 /nfs/dbraw/zinc/09/83/51/957098351.db2.gz LPROVWXMGVEADA-GJZGRUSLSA-N 2 0 297.443 1.110 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001322680556 960295009 /nfs/dbraw/zinc/29/50/09/960295009.db2.gz KXFQCLHYJNCTAF-CVEARBPZSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001340105866 962745507 /nfs/dbraw/zinc/74/55/07/962745507.db2.gz PDLFHBKUWIGAJH-CABCVRRESA-N 2 0 281.444 1.860 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC001343407762 963971787 /nfs/dbraw/zinc/97/17/87/963971787.db2.gz LEINDFMNDKNFRG-HUUCEWRRSA-N 2 0 281.444 1.907 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001100480551 968471409 /nfs/dbraw/zinc/47/14/09/968471409.db2.gz YLFSQLGURGDKNY-UHFFFAOYSA-N 2 0 296.374 1.456 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132278482 1163227032 /nfs/dbraw/zinc/22/70/32/1163227032.db2.gz PLEDMKDYMUQVRC-KGLIPLIRSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132376775 1163260486 /nfs/dbraw/zinc/26/04/86/1163260486.db2.gz QSQWLZWNEVPYIH-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132433957 1163287467 /nfs/dbraw/zinc/28/74/67/1163287467.db2.gz SHTXZYHIMAFSJW-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001133315562 1163639265 /nfs/dbraw/zinc/63/92/65/1163639265.db2.gz UNWDBLFFWDUNND-HZPDHXFCSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CC(C)(C)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001574458965 1170985654 /nfs/dbraw/zinc/98/56/54/1170985654.db2.gz VDCXUIBAGRSPCW-GJZGRUSLSA-N 2 0 260.381 1.261 20 30 CDEDRP CC#CC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC001574963887 1171065032 /nfs/dbraw/zinc/06/50/32/1171065032.db2.gz ZICGXUGKAJDYNW-CQSZACIVSA-N 2 0 293.436 1.379 20 30 CDEDRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1(C)C ZINC000442869146 362098666 /nfs/dbraw/zinc/09/86/66/362098666.db2.gz IKFBLPRXSZXVDN-CABCVRRESA-N 2 0 278.444 1.684 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595946058 343205560 /nfs/dbraw/zinc/20/55/60/343205560.db2.gz QKPITFHWIBFMFB-DZGCQCFKSA-N 2 0 292.427 1.531 20 30 CDEDRP [NH2+]=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CCCCCC1 ZINC000092277905 342414078 /nfs/dbraw/zinc/41/40/78/342414078.db2.gz UMHOTEYNZYGUFO-HUUCEWRRSA-N 2 0 294.443 1.477 20 30 CDEDRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)CC(C)(C)C#N)C2 ZINC000598618929 343844461 /nfs/dbraw/zinc/84/44/61/343844461.db2.gz SJRZEWXFHHPENE-GOEBONIOSA-N 2 0 279.428 1.705 20 30 CDEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598719851 343883158 /nfs/dbraw/zinc/88/31/58/343883158.db2.gz KAJKELSYPWMAKE-LSDHHAIUSA-N 2 0 281.444 1.997 20 30 CDEDRP N#C[C@H]1CCC[C@@H](Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC000602020496 344317019 /nfs/dbraw/zinc/31/70/19/344317019.db2.gz KLPXSHDIXFLRMS-UONOGXRCSA-N 2 0 285.395 1.985 20 30 CDEDRP CN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000613255105 347542527 /nfs/dbraw/zinc/54/25/27/347542527.db2.gz KHUOADFZWIYWFC-HOTGVXAUSA-N 2 0 278.444 1.686 20 30 CDEDRP CC(C)(CNC(=[NH2+])Nc1ccccc1)N1CCOCC1 ZINC000264128629 362974078 /nfs/dbraw/zinc/97/40/78/362974078.db2.gz SUZPHWDHCSYGMO-UHFFFAOYSA-N 2 0 276.384 1.524 20 30 CDEDRP C#CC[N@@H+](C)CCCN[C@H](C)c1ncc(C(=O)OC)s1 ZINC000314978843 360425180 /nfs/dbraw/zinc/42/51/80/360425180.db2.gz QBUBTTCHXPVXNC-LLVKDONJSA-N 2 0 295.408 1.535 20 30 CDEDRP C=CCn1cc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nn1 ZINC000644166557 364083951 /nfs/dbraw/zinc/08/39/51/364083951.db2.gz ZYIUNMWKTNBSKD-SOUVJXGZSA-N 2 0 275.400 1.474 20 30 CDEDRP CCN(CCC#N)C(=O)CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860951 369470295 /nfs/dbraw/zinc/47/02/95/369470295.db2.gz LHUGMXBTYOVMPS-HNNXBMFYSA-N 2 0 294.443 1.555 20 30 CDEDRP Cn1cc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1C#N ZINC000293735817 374557628 /nfs/dbraw/zinc/55/76/28/374557628.db2.gz VEXPHGCPUGYVKS-MRXNPFEDSA-N 2 0 272.396 1.814 20 30 CDEDRP Cn1ccnc1CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000328742188 375940713 /nfs/dbraw/zinc/94/07/13/375940713.db2.gz JIZNLTCXKGWDSD-UHFFFAOYSA-N 2 0 262.357 1.751 20 30 CDEDRP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420341935 376333154 /nfs/dbraw/zinc/33/31/54/376333154.db2.gz OXLWRCNLOBYSKM-JKSUJKDBSA-N 2 0 291.439 1.509 20 30 CDEDRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CC[C@H](C#N)C3)ccn2)CC1 ZINC000571743757 377521603 /nfs/dbraw/zinc/52/16/03/377521603.db2.gz KZSYXDMQEGKGND-HOCLYGCPSA-N 2 0 299.422 1.615 20 30 CDEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000262260757 391066654 /nfs/dbraw/zinc/06/66/54/391066654.db2.gz GFVFVSVDGLMZFB-VIFPVBQESA-N 2 0 268.311 1.643 20 30 CDEDRP C#CCNC(=O)CC[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000491630146 391170723 /nfs/dbraw/zinc/17/07/23/391170723.db2.gz OVDXMERFWZASEU-UHFFFAOYSA-N 2 0 279.428 1.228 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(F)ccc1F ZINC000267431747 391194788 /nfs/dbraw/zinc/19/47/88/391194788.db2.gz MVGBCXAIAYFXCG-ZDUSSCGKSA-N 2 0 296.365 1.853 20 30 CDEDRP C[C@H]1C[NH+]=C(NCc2cccc(OCC[NH+](C)C)c2)N1 ZINC000262420383 391783158 /nfs/dbraw/zinc/78/31/58/391783158.db2.gz BDFFOFYATDGJFJ-LBPRGKRZSA-N 2 0 276.384 1.064 20 30 CDEDRP CC(C)[N@H+](C)Cc1ccccc1CNC1=[NH+]C[C@H](C)N1 ZINC000262669728 391810414 /nfs/dbraw/zinc/81/04/14/391810414.db2.gz QLOOXQQKGMPCAI-ZDUSSCGKSA-N 2 0 274.412 1.964 20 30 CDEDRP C[NH+]=C(NCc1cccn1C)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262771801 391819918 /nfs/dbraw/zinc/81/99/18/391819918.db2.gz IACBEDNVHYNOFW-OAHLLOKOSA-N 2 0 287.411 1.047 20 30 CDEDRP CC[NH+]=C(NCc1c(C)noc1C)NC[C@H]1CC[N@H+](C)C1 ZINC000156714239 261129975 /nfs/dbraw/zinc/12/99/75/261129975.db2.gz MHBMSFSDFYAIPF-CYBMUJFWSA-N 2 0 293.415 1.298 20 30 CDEDRP N#CCCCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000160970066 327915621 /nfs/dbraw/zinc/91/56/21/327915621.db2.gz RAMKYYUENLZSMW-UHFFFAOYSA-N 2 0 265.401 1.724 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000103450252 328769100 /nfs/dbraw/zinc/76/91/00/328769100.db2.gz BUURKBFZPHWTCF-UHFFFAOYSA-N 2 0 291.439 1.132 20 30 CDEDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185779093 329331562 /nfs/dbraw/zinc/33/15/62/329331562.db2.gz JNXAQUBSJYYPDC-PMPSAXMXSA-N 2 0 278.444 1.684 20 30 CDEDRP C[C@H]1C[NH+]=C(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)N1 ZINC000261579313 329971758 /nfs/dbraw/zinc/97/17/58/329971758.db2.gz PKYMDMFFRPRKNI-DYEKYZERSA-N 2 0 252.406 1.434 20 30 CDEDRP C[C@H]1C[NH+]=C(NC[C@@H](C2CCCCC2)[NH+](C)C)N1 ZINC000262634360 330023783 /nfs/dbraw/zinc/02/37/83/330023783.db2.gz GJRLQXXIWKKORK-AAEUAGOBSA-N 2 0 252.406 1.434 20 30 CDEDRP C[NH+]=C(NCC[NH2+]C(C)(C)C)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262830777 330034825 /nfs/dbraw/zinc/03/48/25/330034825.db2.gz ZVJRJAXBNDXYIT-YNEHKIRRSA-N 2 0 296.459 1.353 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000424126796 330259287 /nfs/dbraw/zinc/25/92/87/330259287.db2.gz BYVADWPYDAIOLV-KBPBESRZSA-N 2 0 278.400 1.094 20 30 CDEDRP C[N@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)C1CCCCC1 ZINC000424132036 330264331 /nfs/dbraw/zinc/26/43/31/330264331.db2.gz KBAGIWOVEGRSGX-CQSZACIVSA-N 2 0 280.416 1.388 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000424139304 330279119 /nfs/dbraw/zinc/27/91/19/330279119.db2.gz ADLXGOGTNNLASA-UONOGXRCSA-N 2 0 278.400 1.094 20 30 CDEDRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424142989 330286647 /nfs/dbraw/zinc/28/66/47/330286647.db2.gz JFTPRDQOJSAFAS-KGLIPLIRSA-N 2 0 280.416 1.198 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000424158541 330305586 /nfs/dbraw/zinc/30/55/86/330305586.db2.gz RDUPENKZAOJLIR-UONOGXRCSA-N 2 0 278.400 1.094 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)NCc1cccc(-c2ncc[nH]2)c1 ZINC000424176471 330316555 /nfs/dbraw/zinc/31/65/55/330316555.db2.gz RYJWPORRAIWLII-AWEZNQCLSA-N 2 0 297.362 1.714 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)/C=C/C[NH+](C)C)CC1 ZINC000491887284 332373636 /nfs/dbraw/zinc/37/36/36/332373636.db2.gz SPQRQFXWCSLNQB-AATRIKPKSA-N 2 0 265.401 1.261 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001088317667 1160365290 /nfs/dbraw/zinc/36/52/90/1160365290.db2.gz KRZQIRCSDIEDEH-BZUAXINKSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001088426076 1160404138 /nfs/dbraw/zinc/40/41/38/1160404138.db2.gz LDWYGXHVOMNBKA-OAHLLOKOSA-N 2 0 279.428 1.629 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108757318 1162022635 /nfs/dbraw/zinc/02/26/35/1162022635.db2.gz JEBLFNOBURLKFR-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001113018798 1162075777 /nfs/dbraw/zinc/07/57/77/1162075777.db2.gz APENGPQIFCPPBU-OAHLLOKOSA-N 2 0 279.428 1.581 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000764437293 575907021 /nfs/dbraw/zinc/90/70/21/575907021.db2.gz KKCZIJGFKCBRPJ-KCQAQPDRSA-N 2 0 281.444 1.587 20 30 CDEDRP CC[N@@H+]1CCC(=NNC(=S)NCCC[NH+](C)C)[C@H](C)C1 ZINC000741464897 576560326 /nfs/dbraw/zinc/56/03/26/576560326.db2.gz WLTOYRVEXIMXHM-GFCCVEGCSA-N 2 0 299.488 1.120 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000968916004 612961360 /nfs/dbraw/zinc/96/13/60/612961360.db2.gz VXWZQALGCSCOFV-CABCVRRESA-N 2 0 277.412 1.073 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000962292053 613279661 /nfs/dbraw/zinc/27/96/61/613279661.db2.gz HKZLWBWMZFGHIN-AIANPOQGSA-N 2 0 291.439 1.341 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000968703021 613348992 /nfs/dbraw/zinc/34/89/92/613348992.db2.gz SQNRPBZNOFBFDF-CABCVRRESA-N 2 0 277.412 1.095 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000968966758 613384501 /nfs/dbraw/zinc/38/45/01/613384501.db2.gz ARDOADPXVSHCFI-ZIAGYGMSSA-N 2 0 299.846 1.804 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000968703351 613384927 /nfs/dbraw/zinc/38/49/27/613384927.db2.gz YMGLNSGVQBYXNT-ZIAGYGMSSA-N 2 0 297.830 1.271 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948053336 613742352 /nfs/dbraw/zinc/74/23/52/613742352.db2.gz OIHVQTYITFEAEC-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000969952401 613863535 /nfs/dbraw/zinc/86/35/35/613863535.db2.gz WCXTUAHJRGAYQW-CYBMUJFWSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981461537 613872741 /nfs/dbraw/zinc/87/27/41/613872741.db2.gz IJZYQXWYXVYMPT-KBPBESRZSA-N 2 0 277.412 1.285 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1OC ZINC000911665749 629385377 /nfs/dbraw/zinc/38/53/77/629385377.db2.gz SYZVYKDNUIHABO-KBPBESRZSA-N 2 0 291.395 1.495 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911750581 629469018 /nfs/dbraw/zinc/46/90/18/629469018.db2.gz DRSLNKHNWHHMOH-KGLIPLIRSA-N 2 0 269.433 1.933 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000911813589 629506702 /nfs/dbraw/zinc/50/67/02/629506702.db2.gz YXFOQGKRYKEYAD-KGLIPLIRSA-N 2 0 269.433 1.885 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000911824375 629552804 /nfs/dbraw/zinc/55/28/04/629552804.db2.gz NNSJEGWFDHQFDA-UPJWGTAASA-N 2 0 253.390 1.256 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158195569 1162772965 /nfs/dbraw/zinc/77/29/65/1162772965.db2.gz ABWRGZSBXZWPNK-OAHLLOKOSA-N 2 0 279.428 1.390 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131374501 1162881697 /nfs/dbraw/zinc/88/16/97/1162881697.db2.gz DLSYFLDMSPXDPJ-UHFFFAOYSA-N 2 0 258.325 1.230 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001113345697 1162158635 /nfs/dbraw/zinc/15/86/35/1162158635.db2.gz CEXNZRHZTIGMJI-HNNXBMFYSA-N 2 0 279.428 1.581 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001113572844 1162225831 /nfs/dbraw/zinc/22/58/31/1162225831.db2.gz QHASOQMBKMOKJG-UHFFFAOYSA-N 2 0 267.417 1.439 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001113682530 1162255956 /nfs/dbraw/zinc/25/59/56/1162255956.db2.gz GJJPDMRGFHLTHP-INIZCTEOSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132992748 1163531093 /nfs/dbraw/zinc/53/10/93/1163531093.db2.gz FPGBTBXQPAWXMB-CYBMUJFWSA-N 2 0 267.417 1.389 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001133073848 1163551668 /nfs/dbraw/zinc/55/16/68/1163551668.db2.gz XBGXYLIYFUIVTM-CVEARBPZSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001567023785 1168516965 /nfs/dbraw/zinc/51/69/65/1168516965.db2.gz AAXNQZAUNQPERZ-KGLIPLIRSA-N 2 0 269.433 1.633 20 30 CDEDRP C#CC[C@@]1(C(=O)N(CC)CCC[NH+](CC)CC)CCC[NH2+]1 ZINC001574504357 1170988459 /nfs/dbraw/zinc/98/84/59/1170988459.db2.gz HLUXYRIWVMKKJE-KRWDZBQOSA-N 2 0 293.455 1.712 20 30 CDEDRP C#CC[N@H+](Cc1ccccc1)C[C@H]1CC2(C[NH2+]C2)C(=O)O1 ZINC001574674469 1170999042 /nfs/dbraw/zinc/99/90/42/1170999042.db2.gz ZYDFVMMKXQBLOT-OAHLLOKOSA-N 2 0 284.359 1.027 20 30 CDEDRP C#CCC[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001733105282 1183292694 /nfs/dbraw/zinc/29/26/94/1183292694.db2.gz SDRDTAVPUSVRSN-AWEZNQCLSA-N 2 0 267.417 1.034 20 30 CDEDRP C=CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001752126812 1184822832 /nfs/dbraw/zinc/82/28/32/1184822832.db2.gz WGLUDZYMFCVUSG-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001752491663 1184871794 /nfs/dbraw/zinc/87/17/94/1184871794.db2.gz UDFIHGAHLPCCRU-MRXNPFEDSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001752921069 1184966430 /nfs/dbraw/zinc/96/64/30/1184966430.db2.gz LJQCEEVUTZEPGH-UONOGXRCSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001752997192 1184987236 /nfs/dbraw/zinc/98/72/36/1184987236.db2.gz SQDFVSJFWMHCEE-HNNXBMFYSA-N 2 0 281.444 1.827 20 30 CDEDRP C=C(C)C[N@H+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001753053791 1185023515 /nfs/dbraw/zinc/02/35/15/1185023515.db2.gz UKAVABYTHGUTPZ-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001753339508 1185161727 /nfs/dbraw/zinc/16/17/27/1185161727.db2.gz PKFPBDXPLZCQCH-HNNXBMFYSA-N 2 0 279.428 1.487 20 30 CDEDRP C#CCC[NH2+][C@@H](CC)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001753478741 1185229122 /nfs/dbraw/zinc/22/91/22/1185229122.db2.gz VUCDXVCZMXKHEQ-GJZGRUSLSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001753875064 1185376878 /nfs/dbraw/zinc/37/68/78/1185376878.db2.gz DWMFFEMLHNDYKW-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH2+]C[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001754283650 1185550685 /nfs/dbraw/zinc/55/06/85/1185550685.db2.gz FZXLEBJSGYSPLZ-WFASDCNBSA-N 2 0 285.407 1.479 20 30 CDEDRP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001754382102 1185604563 /nfs/dbraw/zinc/60/45/63/1185604563.db2.gz MWAPUQSRVKCLSK-MRXNPFEDSA-N 2 0 293.455 1.568 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001754868201 1185753308 /nfs/dbraw/zinc/75/33/08/1185753308.db2.gz NIQTZANQMXQJLE-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001755165952 1185837744 /nfs/dbraw/zinc/83/77/44/1185837744.db2.gz UQYUBBJLTDDNOV-UONOGXRCSA-N 2 0 267.417 1.482 20 30 CDEDRP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)Cc1cncn1C ZINC001755325428 1185918296 /nfs/dbraw/zinc/91/82/96/1185918296.db2.gz VXBOKGZOJSXSBS-ZDUSSCGKSA-N 2 0 278.400 1.365 20 30 CDEDRP C#CCC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC001755758420 1186059403 /nfs/dbraw/zinc/05/94/03/1186059403.db2.gz ZCFYMIJVIAZYBQ-AWEZNQCLSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001086711357 1163865206 /nfs/dbraw/zinc/86/52/06/1163865206.db2.gz IPMMQSRIFSEHGY-XHSDSOJGSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134857856 1164108555 /nfs/dbraw/zinc/10/85/55/1164108555.db2.gz KOVDRFZKISMSOW-KBPBESRZSA-N 2 0 277.412 1.121 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175262439 1164303720 /nfs/dbraw/zinc/30/37/20/1164303720.db2.gz GZWQHDYRNLXXBZ-HUUCEWRRSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001022411933 739282880 /nfs/dbraw/zinc/28/28/80/739282880.db2.gz ZLFIRALJDRPUIO-BETUJISGSA-N 2 0 297.362 1.304 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000303773922 739388573 /nfs/dbraw/zinc/38/85/73/739388573.db2.gz FPHPJOMSFDQUJG-CABCVRRESA-N 2 0 298.475 1.826 20 30 CDEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])N1CCCCC1 ZINC000304853446 739487575 /nfs/dbraw/zinc/48/75/75/739487575.db2.gz ZJVNHZCAQFOJJY-ZDUSSCGKSA-N 2 0 270.421 1.144 20 30 CDEDRP C#CCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071796763 739774891 /nfs/dbraw/zinc/77/48/91/739774891.db2.gz WYWRXLWCFNXCGA-GDBMZVCRSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC)C2)CC1 ZINC001072095460 739783378 /nfs/dbraw/zinc/78/33/78/739783378.db2.gz IPYVYUIBYQJYJK-GOEBONIOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001028552797 739826065 /nfs/dbraw/zinc/82/60/65/739826065.db2.gz SUTDMBDXHOQRPD-OWCLPIDISA-N 2 0 293.455 1.731 20 30 CDEDRP CCC#C[C@@H](C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879594082 739853262 /nfs/dbraw/zinc/85/32/62/739853262.db2.gz XATRNUNAVUJBQF-OAHLLOKOSA-N 2 0 263.429 1.500 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001041140412 740076654 /nfs/dbraw/zinc/07/66/54/740076654.db2.gz JOGLPDBZDAQPSH-NVXWUHKLSA-N 2 0 291.439 1.581 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000996664110 740090342 /nfs/dbraw/zinc/09/03/42/740090342.db2.gz SWZLZTPXOVSMNF-OAHLLOKOSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001021094542 740521923 /nfs/dbraw/zinc/52/19/23/740521923.db2.gz RUVKVNSRGDHONV-IHRRRGAJSA-N 2 0 299.846 1.850 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001014635133 740478733 /nfs/dbraw/zinc/47/87/33/740478733.db2.gz WJCXQKCAYMKGAU-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430761 740737900 /nfs/dbraw/zinc/73/79/00/740737900.db2.gz GLVAHFHAWJQCCC-HRCADAONSA-N 2 0 291.439 1.459 20 30 CDEDRP C#CCN1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001034239813 740787418 /nfs/dbraw/zinc/78/74/18/740787418.db2.gz MUJDGLAZFKKIRP-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999279690 740809281 /nfs/dbraw/zinc/80/92/81/740809281.db2.gz PQYFXERAWOGQKM-QQFBHYJXSA-N 2 0 291.439 1.321 20 30 CDEDRP CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1CC[N@H+](C)C1 ZINC000303885151 740859619 /nfs/dbraw/zinc/85/96/19/740859619.db2.gz JMVOCSMPBKZBHW-HNNXBMFYSA-N 2 0 274.412 1.646 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001035732864 740850053 /nfs/dbraw/zinc/85/00/53/740850053.db2.gz MBGQAINQXRFJQS-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C ZINC001017419211 740907265 /nfs/dbraw/zinc/90/72/65/740907265.db2.gz OWYXBEHYYSMZCZ-XHSDSOJGSA-N 2 0 291.439 1.722 20 30 CDEDRP C#Cc1ccc(C[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000809606194 740926782 /nfs/dbraw/zinc/92/67/82/740926782.db2.gz VPVDXLZIVAQMPC-MRXNPFEDSA-N 2 0 285.435 1.784 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999189854 740959313 /nfs/dbraw/zinc/95/93/13/740959313.db2.gz NVEMEPZCGSQSEH-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992156796 741134961 /nfs/dbraw/zinc/13/49/61/741134961.db2.gz XLLHGQVNMPBECT-WBVHZDCISA-N 2 0 291.439 1.627 20 30 CDEDRP CC(C)(C)NC(=[NH2+])NCC[N@@H+]1CCCC(C)(C)C1 ZINC000262976268 741206446 /nfs/dbraw/zinc/20/64/46/741206446.db2.gz SRROITFNQROYEV-UHFFFAOYSA-N 2 0 254.422 1.811 20 30 CDEDRP C[NH+]=C(NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)NC1CC1 ZINC000848997171 741113688 /nfs/dbraw/zinc/11/36/88/741113688.db2.gz DPTZGFUUIAVTLI-LBPRGKRZSA-N 2 0 266.433 1.824 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCS[C@@H](CC)C1 ZINC000124219574 741330109 /nfs/dbraw/zinc/33/01/09/741330109.db2.gz MDGHSFZCHGAYJN-KBPBESRZSA-N 2 0 298.500 1.731 20 30 CDEDRP C=CCC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926545727 741486134 /nfs/dbraw/zinc/48/61/34/741486134.db2.gz MGQKMJASTUGAIT-WZYMTQMTSA-N 2 0 282.428 1.545 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)CC(C)C)CC1 ZINC000844653579 741492412 /nfs/dbraw/zinc/49/24/12/741492412.db2.gz LIGMCZXGJFTPIU-UHFFFAOYSA-N 2 0 293.455 1.426 20 30 CDEDRP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034378742 741553418 /nfs/dbraw/zinc/55/34/18/741553418.db2.gz XKOHUUDJIXXREX-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000996679914 741663564 /nfs/dbraw/zinc/66/35/64/741663564.db2.gz RJNPOIYFGJQWPY-OAHLLOKOSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028549094 741833862 /nfs/dbraw/zinc/83/38/62/741833862.db2.gz LUTQJOYCZKUTMX-OWCLPIDISA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001024365758 741825686 /nfs/dbraw/zinc/82/56/86/741825686.db2.gz HHCKXELYVJWKLI-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001000466495 741953711 /nfs/dbraw/zinc/95/37/11/741953711.db2.gz POTILYKCBIVWGJ-KRWDZBQOSA-N 2 0 299.418 1.576 20 30 CDEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041644485 741912842 /nfs/dbraw/zinc/91/28/42/741912842.db2.gz DLNINEVTCCWTHT-NVXWUHKLSA-N 2 0 293.455 1.683 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000303881901 742031890 /nfs/dbraw/zinc/03/18/90/742031890.db2.gz LEPYCUOYIJGCIA-CQSZACIVSA-N 2 0 284.448 1.438 20 30 CDEDRP C=CC[NH+]1CCC(N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925547691 742218193 /nfs/dbraw/zinc/21/81/93/742218193.db2.gz CMGHKNHGECTCKI-RHMLRGBNSA-N 2 0 261.413 1.223 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001017944524 739400150 /nfs/dbraw/zinc/40/01/50/739400150.db2.gz MAXFJAWVXAZYDC-JONQDZQNSA-N 2 0 291.439 1.435 20 30 CDEDRP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034129489 739555292 /nfs/dbraw/zinc/55/52/92/739555292.db2.gz BUEWOTFMRMHNMJ-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP CC#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001000852026 739577996 /nfs/dbraw/zinc/57/79/96/739577996.db2.gz PWVHKIJTFVFREQ-INIZCTEOSA-N 2 0 289.423 1.242 20 30 CDEDRP C#CCCC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000852123710 739657531 /nfs/dbraw/zinc/65/75/31/739657531.db2.gz IZBJQLSJCYNPJR-UHFFFAOYSA-N 2 0 252.402 1.472 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071994084 739708695 /nfs/dbraw/zinc/70/86/95/739708695.db2.gz CGSYUZHANHDEMX-GJZGRUSLSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001024617279 739928342 /nfs/dbraw/zinc/92/83/42/739928342.db2.gz CIYLBAWGVQQHFO-JYJNAYRXSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001028637590 740053418 /nfs/dbraw/zinc/05/34/18/740053418.db2.gz YKQZCCVGMFMVRA-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CC)[C@H](C)C2)CC1 ZINC001048480424 740167181 /nfs/dbraw/zinc/16/71/81/740167181.db2.gz TZPMBJMRUHCJKP-GDBMZVCRSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001041141140 740204743 /nfs/dbraw/zinc/20/47/43/740204743.db2.gz MCGZVTOVDSODJR-NVXWUHKLSA-N 2 0 291.439 1.581 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC1CC[NH+](C)CC1 ZINC000303897851 740225852 /nfs/dbraw/zinc/22/58/52/740225852.db2.gz VFLPKHVCEPKTCI-HNNXBMFYSA-N 2 0 295.475 1.107 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000999493406 740562729 /nfs/dbraw/zinc/56/27/29/740562729.db2.gz FYAFMXMESINOME-CHWSQXEVSA-N 2 0 287.835 1.660 20 30 CDEDRP CCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000303879757 740598829 /nfs/dbraw/zinc/59/88/29/740598829.db2.gz JVKPYIUZAPMOAT-CYBMUJFWSA-N 2 0 254.422 1.811 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993762653 740803310 /nfs/dbraw/zinc/80/33/10/740803310.db2.gz QUKQPMUSLGXDNG-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP CCNC(NCCC[N@@H+]1CCCC[C@H]1C)=[NH+]CC ZINC000066242573 741018709 /nfs/dbraw/zinc/01/87/09/741018709.db2.gz LEEQIKQPDZAJHO-CYBMUJFWSA-N 2 0 254.422 1.826 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001054863720 741087033 /nfs/dbraw/zinc/08/70/33/741087033.db2.gz WDESTBAZKBCZNE-XJKSGUPXSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CC[NH+](C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000985646243 741199819 /nfs/dbraw/zinc/19/98/19/741199819.db2.gz JETGYXNNLZQMES-CQSZACIVSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015707382 741464483 /nfs/dbraw/zinc/46/44/83/741464483.db2.gz PWBKRTJFUZKACT-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001036160001 741475657 /nfs/dbraw/zinc/47/56/57/741475657.db2.gz ISDZXIYFOWKPTN-HOCLYGCPSA-N 2 0 293.455 1.731 20 30 CDEDRP CCOCCCNC(=[NH2+])NCCC1CC[NH+](CC)CC1 ZINC000304736922 741598120 /nfs/dbraw/zinc/59/81/20/741598120.db2.gz AGMBRXAAAXBQKU-UHFFFAOYSA-N 2 0 284.448 1.439 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001020430298 741616365 /nfs/dbraw/zinc/61/63/65/741616365.db2.gz KCBIBWJCZQNCDH-JYJNAYRXSA-N 2 0 291.439 1.674 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001052561951 741620600 /nfs/dbraw/zinc/62/06/00/741620600.db2.gz GEGFWLOIXBJNGR-OAHLLOKOSA-N 2 0 296.374 1.552 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000883131112 742124717 /nfs/dbraw/zinc/12/47/17/742124717.db2.gz HGDNGHRPYGKOSE-UHFFFAOYSA-N 2 0 285.395 1.391 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046777096 742235644 /nfs/dbraw/zinc/23/56/44/742235644.db2.gz QORJMOLKMINYHZ-MRXNPFEDSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CC[N@@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001073457537 742619806 /nfs/dbraw/zinc/61/98/06/742619806.db2.gz UPAPAYBJMVAONJ-UHFFFAOYSA-N 2 0 291.439 1.583 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2ccnc2C)CC1 ZINC001016976314 742631836 /nfs/dbraw/zinc/63/18/36/742631836.db2.gz XPMBGGCEDNGCLL-AWEZNQCLSA-N 2 0 288.395 1.348 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001022807504 742690294 /nfs/dbraw/zinc/69/02/94/742690294.db2.gz IPESXCMMQKZVGB-SOUVJXGZSA-N 2 0 279.428 1.674 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cccc(C)c1 ZINC000303890355 742804648 /nfs/dbraw/zinc/80/46/48/742804648.db2.gz QANMUNMCTIXFAC-MRXNPFEDSA-N 2 0 288.439 1.926 20 30 CDEDRP COCC[N@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000818953308 742804905 /nfs/dbraw/zinc/80/49/05/742804905.db2.gz FZOUJYVRJQJKGY-MRXNPFEDSA-N 2 0 291.395 1.150 20 30 CDEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCCN2C)C1 ZINC001046555199 742804956 /nfs/dbraw/zinc/80/49/56/742804956.db2.gz BIGCVPOKESDHSB-ZFWWWQNUSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003972162 742807809 /nfs/dbraw/zinc/80/78/09/742807809.db2.gz VLSXECOUQWSJOK-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001175049848 913442513 /nfs/dbraw/zinc/44/25/13/913442513.db2.gz YBZRQOXTGAAUBP-CQSZACIVSA-N 2 0 267.417 1.226 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001106210972 913625902 /nfs/dbraw/zinc/62/59/02/913625902.db2.gz LCSJWUGPOKYDSZ-OAGGEKHMSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001106210971 913627116 /nfs/dbraw/zinc/62/71/16/913627116.db2.gz LCSJWUGPOKYDSZ-BZUAXINKSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176564002 914179779 /nfs/dbraw/zinc/17/97/79/914179779.db2.gz JPERPZCLOZKVHT-CABCVRRESA-N 2 0 279.428 1.226 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176760079 914261109 /nfs/dbraw/zinc/26/11/09/914261109.db2.gz PQDLNXVQBXCYCN-HOTGVXAUSA-N 2 0 293.455 1.759 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106839769 914417967 /nfs/dbraw/zinc/41/79/67/914417967.db2.gz NZJDSQYXYOFITQ-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207600947 901369660 /nfs/dbraw/zinc/36/96/60/901369660.db2.gz DZRMTMMHBRGEJJ-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087797265 905854114 /nfs/dbraw/zinc/85/41/14/905854114.db2.gz GHQJYZMBYNLKAA-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC)[C@@H]2CC)CC1 ZINC001087840298 905898193 /nfs/dbraw/zinc/89/81/93/905898193.db2.gz QGBXVQMTYHGYTM-JKSUJKDBSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001088327643 906905932 /nfs/dbraw/zinc/90/59/32/906905932.db2.gz SODKEQIIGYXNNH-HZPDHXFCSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C(=O)NCCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168356682 909223755 /nfs/dbraw/zinc/22/37/55/909223755.db2.gz SSMQYGFCEIYPDU-UHFFFAOYSA-N 2 0 279.428 1.533 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC001088748988 909270601 /nfs/dbraw/zinc/27/06/01/909270601.db2.gz HYLRDWILTUDNCS-CJNGLKHVSA-N 2 0 296.374 1.550 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110160520 910712348 /nfs/dbraw/zinc/71/23/48/910712348.db2.gz SECHIICPJNRPOF-RDBSUJKOSA-N 2 0 265.401 1.234 20 30 CDEDRP C[C@@H](Cc1ccc(C#N)cc1)NC(=[NH2+])SCC[NH3+] ZINC001172302001 911597555 /nfs/dbraw/zinc/59/75/55/911597555.db2.gz BVRMDCNJFVLAEJ-JTQLQIEISA-N 2 0 262.382 1.706 20 30 CDEDRP C=CCN1CC[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273029755 921686958 /nfs/dbraw/zinc/68/69/58/921686958.db2.gz IYTDXSVMEJLVQM-INIZCTEOSA-N 2 0 277.412 1.096 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001485041469 916404514 /nfs/dbraw/zinc/40/45/14/916404514.db2.gz NLONSUKCMICNTN-INIZCTEOSA-N 2 0 291.439 1.466 20 30 CDEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106980840 917620131 /nfs/dbraw/zinc/62/01/31/917620131.db2.gz BXWSKYGLSLOYTE-OWCLPIDISA-N 2 0 293.455 1.588 20 30 CDEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001182409687 917841266 /nfs/dbraw/zinc/84/12/66/917841266.db2.gz CPJSZSZETVOZFQ-NVXWUHKLSA-N 2 0 295.471 1.979 20 30 CDEDRP C[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])c1ccc(C#N)cc1 ZINC001182800317 918137022 /nfs/dbraw/zinc/13/70/22/918137022.db2.gz RZHQNBYOQNRWBT-NSHDSACASA-N 2 0 287.367 1.123 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183267883 918420030 /nfs/dbraw/zinc/42/00/30/918420030.db2.gz PQHXQLAKXVHFAZ-HUUCEWRRSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001184061083 918854983 /nfs/dbraw/zinc/85/49/83/918854983.db2.gz CDXLGQXUWUXMDR-AWEZNQCLSA-N 2 0 267.417 1.485 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)C[N@@H+](C)CCCCCC ZINC001168596037 919376991 /nfs/dbraw/zinc/37/69/91/919376991.db2.gz RAYRQUWDBSVECN-UHFFFAOYSA-N 2 0 267.417 1.228 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185385904 919565720 /nfs/dbraw/zinc/56/57/20/919565720.db2.gz WTKXVVFGUYSILC-CQSZACIVSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001185516804 919640709 /nfs/dbraw/zinc/64/07/09/919640709.db2.gz NNAWHPUNDXMJOO-JKSUJKDBSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001185548277 919649707 /nfs/dbraw/zinc/64/97/07/919649707.db2.gz LHLIQWBXXMSKBX-CVEARBPZSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203633050 919915250 /nfs/dbraw/zinc/91/52/50/919915250.db2.gz WASJQYJBBBKSSY-LSDHHAIUSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CC1(C)C ZINC001486247966 920837986 /nfs/dbraw/zinc/83/79/86/920837986.db2.gz QGDRDEYXRFUQFG-UONOGXRCSA-N 2 0 281.444 1.729 20 30 CDEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001190084830 921834256 /nfs/dbraw/zinc/83/42/56/921834256.db2.gz SOZRBUHOOXKAGM-HZPDHXFCSA-N 2 0 293.455 1.968 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001072981614 936714396 /nfs/dbraw/zinc/71/43/96/936714396.db2.gz MKDBGPMHDKAIKJ-CABCVRRESA-N 2 0 291.439 1.295 20 30 CDEDRP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237975 921925608 /nfs/dbraw/zinc/92/56/08/921925608.db2.gz GQGLERSERBINSE-OWCLPIDISA-N 2 0 293.455 1.826 20 30 CDEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001190675905 922130313 /nfs/dbraw/zinc/13/03/13/922130313.db2.gz ZTAHMCYSQBMGOR-HNNXBMFYSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111465385 936777753 /nfs/dbraw/zinc/77/77/53/936777753.db2.gz SECHIICPJNRPOF-MCIONIFRSA-N 2 0 265.401 1.234 20 30 CDEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC001191632500 922668237 /nfs/dbraw/zinc/66/82/37/922668237.db2.gz KBOPCGMQPDVERY-OAHLLOKOSA-N 2 0 290.411 1.772 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193460379 923693048 /nfs/dbraw/zinc/69/30/48/923693048.db2.gz BPNLYNJFKSRJRF-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001080442779 924571250 /nfs/dbraw/zinc/57/12/50/924571250.db2.gz MVHGGZMMKRZOFE-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001101036528 936952947 /nfs/dbraw/zinc/95/29/47/936952947.db2.gz SISGLOFRLSUCMR-GPANFISMSA-N 2 0 291.439 1.369 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001197692680 925199079 /nfs/dbraw/zinc/19/90/79/925199079.db2.gz VYXZDUUSADORQG-UHFFFAOYSA-N 2 0 267.417 1.439 20 30 CDEDRP C=CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085593530 926192636 /nfs/dbraw/zinc/19/26/36/926192636.db2.gz LLAXBUAFISQQME-CABCVRRESA-N 2 0 279.428 1.578 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514552 937062314 /nfs/dbraw/zinc/06/23/14/937062314.db2.gz AUTCOIPBOKWNFU-OWCLPIDISA-N 2 0 293.455 1.588 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579126 937066305 /nfs/dbraw/zinc/06/63/05/937066305.db2.gz JCDUVIGHKXXDDY-HUUCEWRRSA-N 2 0 279.428 1.342 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001201321709 926263539 /nfs/dbraw/zinc/26/35/39/926263539.db2.gz UJKQVJLMJWTAHK-UHFFFAOYSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001085675493 926268634 /nfs/dbraw/zinc/26/86/34/926268634.db2.gz UDLKLPYBTUZWJS-LSDHHAIUSA-N 2 0 277.412 1.027 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001085784337 926395147 /nfs/dbraw/zinc/39/51/47/926395147.db2.gz RJUXTFVCYLDSBH-JYJNAYRXSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001086465719 927155900 /nfs/dbraw/zinc/15/59/00/927155900.db2.gz RISYJHIGLTZXIN-MQMHXKEQSA-N 2 0 299.846 1.565 20 30 CDEDRP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001103435101 937141874 /nfs/dbraw/zinc/14/18/74/937141874.db2.gz PTYMKIOMZHKUON-BZUAXINKSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001103612605 937148856 /nfs/dbraw/zinc/14/88/56/937148856.db2.gz LNTSMFMVYBFSDH-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001202495647 928580098 /nfs/dbraw/zinc/58/00/98/928580098.db2.gz HLHFDNPKLSRNND-CQSZACIVSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001108717854 928615011 /nfs/dbraw/zinc/61/50/11/928615011.db2.gz WYTZJMUPAPYECB-KKUMJFAQSA-N 2 0 291.439 1.319 20 30 CDEDRP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CCC)C2 ZINC001108803043 928637967 /nfs/dbraw/zinc/63/79/67/928637967.db2.gz UUNVWIABPJRLDS-XHSDSOJGSA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653939 929000086 /nfs/dbraw/zinc/00/00/86/929000086.db2.gz OEDRHJZCSFCJGV-ILXRZTDVSA-N 2 0 277.412 1.073 20 30 CDEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001110016211 929105507 /nfs/dbraw/zinc/10/55/07/929105507.db2.gz DLOYCSIYJYJTGA-ILXRZTDVSA-N 2 0 279.428 1.626 20 30 CDEDRP C=C[C@@](C)(O)C[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001252577221 929528548 /nfs/dbraw/zinc/52/85/48/929528548.db2.gz WRHWVJJYQHIPMJ-CQSZACIVSA-N 2 0 256.390 1.014 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H](C)CC)CC1 ZINC001152324390 937353663 /nfs/dbraw/zinc/35/36/63/937353663.db2.gz TXHLPGCBDWGCBL-AWEZNQCLSA-N 2 0 279.428 1.084 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152348170 937355371 /nfs/dbraw/zinc/35/53/71/937355371.db2.gz LSHHRKHAYKMYPM-UHFFFAOYSA-N 2 0 267.417 1.534 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135095200 930049525 /nfs/dbraw/zinc/04/95/25/930049525.db2.gz AFFZWBRECRJSFJ-LSDHHAIUSA-N 2 0 279.428 1.675 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135476990 930225777 /nfs/dbraw/zinc/22/57/77/930225777.db2.gz PHFKWIWJEWVLLF-LSDHHAIUSA-N 2 0 293.455 1.615 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135511693 930241860 /nfs/dbraw/zinc/24/18/60/930241860.db2.gz YYXUNGICNBOZBT-ZDUSSCGKSA-N 2 0 255.406 1.389 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170820805 930249156 /nfs/dbraw/zinc/24/91/56/930249156.db2.gz XSHFJHXMKXYWHB-HOCLYGCPSA-N 2 0 291.439 1.226 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939408 930550256 /nfs/dbraw/zinc/55/02/56/930550256.db2.gz ZTPIQZAWTYACHJ-UONOGXRCSA-N 2 0 279.428 1.531 20 30 CDEDRP N#CC(C#N)c1nc2ccccc2nc1N[C@H]([NH3+])CCC[NH3+] ZINC001170896177 930690667 /nfs/dbraw/zinc/69/06/67/930690667.db2.gz CBCSIMMYQJVTKG-ZDUSSCGKSA-N 2 0 295.350 1.196 20 30 CDEDRP N#CCc1ccc(Cl)cc1N[C@H]([NH3+])CCC[NH3+] ZINC001170906984 930720204 /nfs/dbraw/zinc/72/02/04/930720204.db2.gz ZHIIRQWVCDRLCN-LBPRGKRZSA-N 2 0 252.749 1.842 20 30 CDEDRP N#C[C@@H]1C[C@H]([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246133257 931092364 /nfs/dbraw/zinc/09/23/64/931092364.db2.gz UPYOOPRUNAIFKU-RDBSUJKOSA-N 2 0 262.401 1.142 20 30 CDEDRP C#Cc1ccc(C[N@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)cc1 ZINC001275131382 931672804 /nfs/dbraw/zinc/67/28/04/931672804.db2.gz CGLOWTIUSXWIDK-RBUKOAKNSA-N 2 0 297.446 1.736 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001091028053 931732042 /nfs/dbraw/zinc/73/20/42/931732042.db2.gz SINQYGLIRZGMKB-BCLQGDPASA-N 2 0 291.439 1.389 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001091035792 931733944 /nfs/dbraw/zinc/73/39/44/931733944.db2.gz IRKHEBAACGBRQK-BLYZHGLHSA-N 2 0 299.846 1.564 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001091058799 931774310 /nfs/dbraw/zinc/77/43/10/931774310.db2.gz UYDHMPRWZMIXPY-YMAMQOFZSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001091204791 932006500 /nfs/dbraw/zinc/00/65/00/932006500.db2.gz LCLJTDRQGOKKNS-UHFFFAOYSA-N 2 0 289.379 1.072 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580121 937560025 /nfs/dbraw/zinc/56/00/25/937560025.db2.gz PRTJXDKUOYXFPI-CQSZACIVSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001095424108 932448078 /nfs/dbraw/zinc/44/80/78/932448078.db2.gz FTUOXRDDEPXROC-UGUYLWEFSA-N 2 0 289.423 1.236 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147301011 932456882 /nfs/dbraw/zinc/45/68/82/932456882.db2.gz IWHPJRGBHWGQSE-UHFFFAOYSA-N 2 0 279.428 1.390 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154909166 937603520 /nfs/dbraw/zinc/60/35/20/937603520.db2.gz LUXIEZMJSPKSNC-CQSZACIVSA-N 2 0 267.417 1.178 20 30 CDEDRP CC#CC[NH2+]CC1(NC(=O)[C@@H](CC)[NH+](C)C)CCCCC1 ZINC001276237041 932673785 /nfs/dbraw/zinc/67/37/85/932673785.db2.gz DVYJVKGRGGNWFY-OAHLLOKOSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CCCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001148844482 932797061 /nfs/dbraw/zinc/79/70/61/932797061.db2.gz NPHXFGNEMRPZOF-UHFFFAOYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092275525 932930730 /nfs/dbraw/zinc/93/07/30/932930730.db2.gz HARUBLXRQKEDFV-ZBFHGGJFSA-N 2 0 277.412 1.049 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001155180624 937645377 /nfs/dbraw/zinc/64/53/77/937645377.db2.gz IOAOYQYTTOSIQR-CVEARBPZSA-N 2 0 295.471 1.957 20 30 CDEDRP C[NH+]1CCC(C)(C[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC001120495395 937803448 /nfs/dbraw/zinc/80/34/48/937803448.db2.gz MVBUWIPOYDKHJK-CYBMUJFWSA-N 2 0 267.417 1.609 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001016807888 935624604 /nfs/dbraw/zinc/62/46/04/935624604.db2.gz OBYCWNSRDWJVKH-OAHLLOKOSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC[C@H]1C ZINC001039435879 935774967 /nfs/dbraw/zinc/77/49/67/935774967.db2.gz HYPPIRDQGLZRSQ-OAGGEKHMSA-N 2 0 291.439 1.722 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001095964894 935848353 /nfs/dbraw/zinc/84/83/53/935848353.db2.gz HLTMIFMYDNJIRJ-PMPSAXMXSA-N 2 0 289.423 1.073 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001121924253 937890997 /nfs/dbraw/zinc/89/09/97/937890997.db2.gz YYCQNDXWEMHEKD-RDBSUJKOSA-N 2 0 267.417 1.659 20 30 CDEDRP N#Cc1c2c(cnc1N1CCC3(C[NH2+]C3)CC1)C[NH2+]CCC2 ZINC001159039762 938694387 /nfs/dbraw/zinc/69/43/87/938694387.db2.gz MYAIXMCJLQYDQT-UHFFFAOYSA-N 2 0 297.406 1.179 20 30 CDEDRP N#Cc1cnc(Cl)nc1-n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001160945750 938847765 /nfs/dbraw/zinc/84/77/65/938847765.db2.gz KEHXOSPQNFMKGL-UHFFFAOYSA-N 2 0 298.737 1.842 20 30 CDEDRP Cc1cc(C#N)cc(NCCC[NH2+]CCCC[NH3+])n1 ZINC001162294400 938972817 /nfs/dbraw/zinc/97/28/17/938972817.db2.gz IKYNXPAIPWGTOA-UHFFFAOYSA-N 2 0 261.373 1.392 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166677156 939625625 /nfs/dbraw/zinc/62/56/25/939625625.db2.gz GCEGKEFRBRGMDE-CQSZACIVSA-N 2 0 267.417 1.390 20 30 CDEDRP C=CCOCC[NH2+]CCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001166764432 939637732 /nfs/dbraw/zinc/63/77/32/939637732.db2.gz CQUXTPFJVDPBKU-UHFFFAOYSA-N 2 0 297.443 1.017 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203516294 939690223 /nfs/dbraw/zinc/69/02/23/939690223.db2.gz XJWSSIJUUHMJEG-KBPBESRZSA-N 2 0 279.428 1.531 20 30 CDEDRP Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205688844 939920018 /nfs/dbraw/zinc/92/00/18/939920018.db2.gz KVRMDPRJMPGVOU-MRXNPFEDSA-N 2 0 273.380 1.542 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206993060 940122890 /nfs/dbraw/zinc/12/28/90/940122890.db2.gz PVACDFDZUSBBEG-KLHDSHLOSA-N 2 0 293.455 1.729 20 30 CDEDRP CC[NH+]1CCC(C[NH+]2CCN(CCC#N)CC2)CC1 ZINC001207185638 940165075 /nfs/dbraw/zinc/16/50/75/940165075.db2.gz RGWQAHVMLCACRH-UHFFFAOYSA-N 2 0 264.417 1.250 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207547274 940214523 /nfs/dbraw/zinc/21/45/23/940214523.db2.gz RACDALREKRLLJJ-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCCC[NH+]1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001209267794 940454652 /nfs/dbraw/zinc/45/46/52/940454652.db2.gz KGPFZHLZHTVCEL-UHFFFAOYSA-N 2 0 264.413 1.975 20 30 CDEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001258734148 945395822 /nfs/dbraw/zinc/39/58/22/945395822.db2.gz TVQWFFCIGBQZEF-UONOGXRCSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001209642969 940622564 /nfs/dbraw/zinc/62/25/64/940622564.db2.gz QUZWPGDIVDWBID-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001209659526 940624922 /nfs/dbraw/zinc/62/49/22/940624922.db2.gz FVVLYPINHLTIDU-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001210857543 940716730 /nfs/dbraw/zinc/71/67/30/940716730.db2.gz KVDBREKBZIDTLG-WBVHZDCISA-N 2 0 289.423 1.076 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211374566 940751075 /nfs/dbraw/zinc/75/10/75/940751075.db2.gz ITPZQACYJCRWDB-OAGGEKHMSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001215518707 940892211 /nfs/dbraw/zinc/89/22/11/940892211.db2.gz KDFZTQJHPZUVRV-RBSFLKMASA-N 2 0 281.444 1.729 20 30 CDEDRP Cc1c(O[C@@H]2C[NH2+]C[C@@H]2C#N)ccc2c1CC[NH2+]C2 ZINC001218199912 941043550 /nfs/dbraw/zinc/04/35/50/941043550.db2.gz HXVOVHRLASTJHL-SWLSCSKDSA-N 2 0 257.337 1.131 20 30 CDEDRP Cc1coc(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)c1C#N ZINC001218764992 941268372 /nfs/dbraw/zinc/26/83/72/941268372.db2.gz QCHDKSFKTMMGNK-LBPRGKRZSA-N 2 0 278.356 1.457 20 30 CDEDRP C#Cc1ccc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cc1F ZINC001219384117 941338040 /nfs/dbraw/zinc/33/80/40/941338040.db2.gz JIFJSUXQZABUNY-AWEZNQCLSA-N 2 0 275.327 1.072 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)NC[C@]2(CC3CC3)CCC[NH2+]2)C1 ZINC001221247939 941507424 /nfs/dbraw/zinc/50/74/24/941507424.db2.gz CHHSJLRDPMKQHV-JKSUJKDBSA-N 2 0 277.412 1.333 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001229800467 942533592 /nfs/dbraw/zinc/53/35/92/942533592.db2.gz FAYPGEXSWILSLX-HZPDHXFCSA-N 2 0 293.455 1.759 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001229808504 942533940 /nfs/dbraw/zinc/53/39/40/942533940.db2.gz SOBAQHKQEMXCEV-HUUCEWRRSA-N 2 0 279.428 1.369 20 30 CDEDRP C[N@H+]1CC=C(c2ccc(N3CC[NH2+]CC3)c(C#N)c2)CC1 ZINC001241323098 946218635 /nfs/dbraw/zinc/21/86/35/946218635.db2.gz YSORGKNPPZQQKA-UHFFFAOYSA-N 2 0 282.391 1.687 20 30 CDEDRP N#CC1(c2ccc(F)cc2)CCC([NH2+]C[C@H](O)C[NH3+])CC1 ZINC001254346079 947381741 /nfs/dbraw/zinc/38/17/41/947381741.db2.gz JBNZKYZLJWEAAB-HWOWSKLDSA-N 2 0 291.370 1.439 20 30 CDEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2CC[NH2+]C(C)(C)C2)cc1 ZINC001246305348 948095445 /nfs/dbraw/zinc/09/54/45/948095445.db2.gz PLNTWIMMQBGSSU-CYBMUJFWSA-N 2 0 289.379 1.709 20 30 CDEDRP C[C@H]1C[C@@H]([NH2+]CCOc2ccccc2C#N)CC[NH2+]1 ZINC001246327494 948106558 /nfs/dbraw/zinc/10/65/58/948106558.db2.gz IXYKUHMPNJAFKU-JSGCOSHPSA-N 2 0 259.353 1.667 20 30 CDEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246527254 948230789 /nfs/dbraw/zinc/23/07/89/948230789.db2.gz SHQAXLVXOCSVJV-SJPCQFCGSA-N 3 0 286.423 1.936 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+][C@H]1CC[C@H]([NH+](CC)CC)CC1 ZINC001252499088 951378639 /nfs/dbraw/zinc/37/86/39/951378639.db2.gz VKQKBTAAWGVJHC-BZUAXINKSA-N 2 0 284.444 1.793 20 30 CDEDRP C=C[C@@](C)(O)C[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001252572421 951467231 /nfs/dbraw/zinc/46/72/31/951467231.db2.gz QAVVLLQCNPVTIQ-QGZVFWFLSA-N 2 0 289.423 1.465 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001423107341 956590844 /nfs/dbraw/zinc/59/08/44/956590844.db2.gz LUQMHUYKIOXVOX-GFCCVEGCSA-N 2 0 275.824 1.517 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317154857 957310064 /nfs/dbraw/zinc/31/00/64/957310064.db2.gz QGTZWMRKBCZMPY-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001495039126 972385207 /nfs/dbraw/zinc/38/52/07/972385207.db2.gz QHIUBKJODYJHSM-QWHCGFSZSA-N 2 0 253.390 1.141 20 30 CDEDRP C[N@@H+]1CCCN(CCC[NH2+]C[C@H](C#N)CCC#N)CC1 ZINC001336750123 960543446 /nfs/dbraw/zinc/54/34/46/960543446.db2.gz MZAHTSSAZJEHBM-HNNXBMFYSA-N 2 0 277.416 1.047 20 30 CDEDRP C[N@@H+]1CCC[C@@H]1CNC(NC(C)(C)C)=[NH+]C[C@@H]1CCOC1 ZINC001338384694 961773205 /nfs/dbraw/zinc/77/32/05/961773205.db2.gz VDXPKIQGJYBUIC-UONOGXRCSA-N 2 0 296.459 1.451 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001340669844 963063226 /nfs/dbraw/zinc/06/32/26/963063226.db2.gz AOUGHCPQHXCZPJ-JKSUJKDBSA-N 2 0 293.455 1.908 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)CCC ZINC001421142431 963472269 /nfs/dbraw/zinc/47/22/69/963472269.db2.gz QBBUWDQKVXPRPZ-ZDUSSCGKSA-N 2 0 287.835 1.661 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC001343372794 963961715 /nfs/dbraw/zinc/96/17/15/963961715.db2.gz YSQBEOLSMHWEKX-OAHLLOKOSA-N 2 0 281.444 1.907 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC001343489914 964007523 /nfs/dbraw/zinc/00/75/23/964007523.db2.gz ZNOZOYFLJIFLJD-MROQNXINSA-N 2 0 253.390 1.173 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001100340385 968058801 /nfs/dbraw/zinc/05/88/01/968058801.db2.gz IGQDFDBYHDPHPM-AVVWSFFYSA-N 2 0 291.439 1.389 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCCO1 ZINC001200794756 968920132 /nfs/dbraw/zinc/92/01/32/968920132.db2.gz FJNWTFXLQBZPGQ-HUUCEWRRSA-N 2 0 297.443 1.110 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001200841407 969002738 /nfs/dbraw/zinc/00/27/38/969002738.db2.gz SATXADRDYSAEPH-OAHLLOKOSA-N 2 0 297.418 1.270 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC001357443481 969588879 /nfs/dbraw/zinc/58/88/79/969588879.db2.gz BDFUKLNVEUACJW-GXTWGEPZSA-N 2 0 253.390 1.176 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001373796343 973645239 /nfs/dbraw/zinc/64/52/39/973645239.db2.gz MPDKXMNZOVGRIZ-OLZOCXBDSA-N 2 0 289.851 1.810 20 30 CDEDRP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001498060460 973654400 /nfs/dbraw/zinc/65/44/00/973654400.db2.gz SUVKVQAVHPNZBJ-KBPBESRZSA-N 2 0 267.417 1.531 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133092236 1163568818 /nfs/dbraw/zinc/56/88/18/1163568818.db2.gz ZBKZTWFFOYCUIC-GJZGRUSLSA-N 2 0 281.444 1.588 20 30 CDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](C)CC)C1 ZINC001574851577 1171015237 /nfs/dbraw/zinc/01/52/37/1171015237.db2.gz HUFADDVWZPBHJP-QWRGUYRKSA-N 2 0 259.781 1.009 20 30 CDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@@H+](C)C[C@@H]1CC ZINC001574852048 1171025445 /nfs/dbraw/zinc/02/54/45/1171025445.db2.gz OCCJWZYRQBDRNT-RYUDHWBXSA-N 2 0 273.808 1.399 20 30 CDEDRP C[C@H](CCC#N)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000589820286 342514331 /nfs/dbraw/zinc/51/43/31/342514331.db2.gz KKPJBMDHRBBDOV-MRXNPFEDSA-N 2 0 278.444 1.640 20 30 CDEDRP C=CCCOCC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000138635739 361884954 /nfs/dbraw/zinc/88/49/54/361884954.db2.gz FTNDTLFQRUOSER-UHFFFAOYSA-N 2 0 297.443 1.064 20 30 CDEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cccc(C#N)n1 ZINC000602587952 342182034 /nfs/dbraw/zinc/18/20/34/342182034.db2.gz JWAHMDBTJUIMHU-HNNXBMFYSA-N 2 0 276.384 1.400 20 30 CDEDRP CN(Cc1ccc(C#N)cc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000290066050 361987215 /nfs/dbraw/zinc/98/72/15/361987215.db2.gz TUZCWAVWBVLXJN-INIZCTEOSA-N 2 0 273.380 1.445 20 30 CDEDRP N#Cc1ccc(N2CCC([NH2+][C@H]3CCC[C@H]([NH3+])C3)CC2)nc1 ZINC000594583041 342921233 /nfs/dbraw/zinc/92/12/33/342921233.db2.gz RPSUHKLCFQDSTR-HOCLYGCPSA-N 2 0 299.422 1.782 20 30 CDEDRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)CC(C)(C)C#N)C2 ZINC000598618931 343844746 /nfs/dbraw/zinc/84/47/46/343844746.db2.gz SJRZEWXFHHPENE-ZBFHGGJFSA-N 2 0 279.428 1.705 20 30 CDEDRP C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1CC[NH+](C)CC1 ZINC000598720923 343883586 /nfs/dbraw/zinc/88/35/86/343883586.db2.gz QXZFYXDEFJIWHI-TZMCWYRMSA-N 2 0 267.417 1.607 20 30 CDEDRP Cc1cc(C[NH2+]CCc2cncn2C)ccc1C#N ZINC000598918281 343919649 /nfs/dbraw/zinc/91/96/49/343919649.db2.gz XQEDMLCTASMBDF-UHFFFAOYSA-N 2 0 254.337 1.933 20 30 CDEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[NH+](C)C ZINC000602505097 344457442 /nfs/dbraw/zinc/45/74/42/344457442.db2.gz PMRCKKARJFBXBT-ZDUSSCGKSA-N 2 0 253.390 1.627 20 30 CDEDRP CC(C)[C@@H](C[NH2+]C[C@H](C)CCC#N)N1CC[NH+](C)CC1 ZINC000602508377 344458114 /nfs/dbraw/zinc/45/81/14/344458114.db2.gz BIOXDOUTRMIRGV-HZPDHXFCSA-N 2 0 280.460 1.788 20 30 CDEDRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000602507662 350115808 /nfs/dbraw/zinc/11/58/08/350115808.db2.gz GJCJVQCZWGMCSB-UHFFFAOYSA-N 2 0 287.407 1.883 20 30 CDEDRP CC[NH+](CC)[C@H](CNC(=[NH2+])NC)Cc1ccccc1 ZINC000264084653 362961648 /nfs/dbraw/zinc/96/16/48/362961648.db2.gz IUBUQFYOODQKFW-AWEZNQCLSA-N 2 0 262.401 1.474 20 30 CDEDRP COc1ccc(NC(=[NH2+])NC[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000264297575 363024979 /nfs/dbraw/zinc/02/49/79/363024979.db2.gz QZLQNLOWHDHOGN-LLVKDONJSA-N 2 0 276.384 1.905 20 30 CDEDRP N#Cc1csc(C[NH2+]CCCN2CCC[C@@H]2C(N)=O)c1 ZINC000344220679 356964772 /nfs/dbraw/zinc/96/47/72/356964772.db2.gz USVXSXSUTGGPFQ-CYBMUJFWSA-N 2 0 292.408 1.049 20 30 CDEDRP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCOCC3)cc1C#N ZINC001579697053 1172242427 /nfs/dbraw/zinc/24/24/27/1172242427.db2.gz UWLNZKDQJYYJFW-HZPDHXFCSA-N 2 0 285.391 1.853 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000573109036 365091952 /nfs/dbraw/zinc/09/19/52/365091952.db2.gz VYUPOQQQSLKJGP-GOSISDBHSA-N 2 0 298.434 1.864 20 30 CDEDRP CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])N(C)C)cc1 ZINC000170912499 365162711 /nfs/dbraw/zinc/16/27/11/365162711.db2.gz KKTULVNOOYMXBJ-UHFFFAOYSA-N 2 0 292.427 1.784 20 30 CDEDRP C[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000249855908 261258731 /nfs/dbraw/zinc/25/87/31/261258731.db2.gz DDBMWWNWCPSALE-HZSPNIEDSA-N 2 0 282.432 1.190 20 30 CDEDRP C=C(CC)CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000568363230 371220268 /nfs/dbraw/zinc/22/02/68/371220268.db2.gz AKODLLRTAFSTSZ-UHFFFAOYSA-N 2 0 270.421 1.087 20 30 CDEDRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)ccc1C#N ZINC000414911955 374222473 /nfs/dbraw/zinc/22/24/73/374222473.db2.gz HKFAMGPBDGHXGM-ZIAGYGMSSA-N 2 0 259.353 1.926 20 30 CDEDRP C=CCN1CC[C@H]([N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1=O ZINC000420331419 376328698 /nfs/dbraw/zinc/32/86/98/376328698.db2.gz QTMVSCWFVNXRSV-KKUMJFAQSA-N 2 0 277.412 1.095 20 30 CDEDRP C#Cc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000290202017 378367262 /nfs/dbraw/zinc/36/72/62/378367262.db2.gz DADUFARASLBALF-UHFFFAOYSA-N 2 0 286.419 1.993 20 30 CDEDRP Cc1cc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)ccc1C#N ZINC000443984352 250069793 /nfs/dbraw/zinc/06/97/93/250069793.db2.gz ITAQWCVSDFLLAM-HNNXBMFYSA-N 2 0 286.423 1.592 20 30 CDEDRP CN(CCC[N@H+](C)[C@@H]1CC[C@H](C#N)C1)CC[NH+](C)C ZINC000339206729 391269496 /nfs/dbraw/zinc/26/94/96/391269496.db2.gz XFNGDHYTVKHJAS-LSDHHAIUSA-N 2 0 266.433 1.494 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334363633 392109079 /nfs/dbraw/zinc/10/90/79/392109079.db2.gz LWBFPSINAKAPPS-CABCVRRESA-N 2 0 251.418 1.520 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000094070434 147076602 /nfs/dbraw/zinc/07/66/02/147076602.db2.gz OXDPNZVRESSDKL-UHFFFAOYSA-N 2 0 273.380 1.888 20 30 CDEDRP Cn1cncc1CCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000330068016 228032319 /nfs/dbraw/zinc/03/23/19/228032319.db2.gz VAPASQASOAQXOH-UHFFFAOYSA-N 2 0 276.384 1.936 20 30 CDEDRP C=CCc1cc(C[NH2+][C@@H](C)CC[NH3+])cc(OC)c1O ZINC000414881982 263097772 /nfs/dbraw/zinc/09/77/72/263097772.db2.gz LLWOQGWUTPVSOP-NSHDSACASA-N 2 0 264.369 1.956 20 30 CDEDRP C[NH+]1CCN(CCC[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353381276 277105643 /nfs/dbraw/zinc/10/56/43/277105643.db2.gz DVQIZDXGDYHCJL-SFHVURJKSA-N 2 0 298.434 1.773 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[NH2+]CC2)CC1 ZINC000334908460 277775001 /nfs/dbraw/zinc/77/50/01/277775001.db2.gz GIZBZZCMMIPJKH-UHFFFAOYSA-N 2 0 280.416 1.032 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]([NH3+])CC)C(C)C ZINC000236902147 277849119 /nfs/dbraw/zinc/84/91/19/277849119.db2.gz BGLHKJNQDVVQFI-KBPBESRZSA-N 2 0 267.417 1.539 20 30 CDEDRP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001671804351 1173714261 /nfs/dbraw/zinc/71/42/61/1173714261.db2.gz AHQGUUPMVIJSID-NVXWUHKLSA-N 2 0 293.455 1.424 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000262432003 330010148 /nfs/dbraw/zinc/01/01/48/330010148.db2.gz SPAYPZHXLJWMHL-NEPJUHHUSA-N 2 0 270.446 1.271 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC(F)(F)C1 ZINC000262380002 330011690 /nfs/dbraw/zinc/01/16/90/330011690.db2.gz GVPAXLXFLOHIHR-NWDGAFQWSA-N 2 0 288.386 1.810 20 30 CDEDRP C[C@H]1C[NH+]=C(NC[C@H](C2CCCCC2)[NH+](C)C)N1 ZINC000262634364 330023760 /nfs/dbraw/zinc/02/37/60/330023760.db2.gz GJRLQXXIWKKORK-WCQYABFASA-N 2 0 252.406 1.434 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000263154250 330046343 /nfs/dbraw/zinc/04/63/43/330046343.db2.gz MOAGURMEFUTSTE-AAVRWANBSA-N 2 0 296.459 1.435 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263290165 330051821 /nfs/dbraw/zinc/05/18/21/330051821.db2.gz VOPSKJYHESLRAZ-GOEBONIOSA-N 2 0 279.428 1.661 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263290166 330051828 /nfs/dbraw/zinc/05/18/28/330051828.db2.gz VOPSKJYHESLRAZ-HOCLYGCPSA-N 2 0 279.428 1.661 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000423372991 330195409 /nfs/dbraw/zinc/19/54/09/330195409.db2.gz GOAZJINXQGWSOR-GXTWGEPZSA-N 2 0 267.417 1.372 20 30 CDEDRP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424060179 330218790 /nfs/dbraw/zinc/21/87/90/330218790.db2.gz PKJICUZKYXUCCM-ZDUSSCGKSA-N 2 0 274.368 1.756 20 30 CDEDRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424134341 330266604 /nfs/dbraw/zinc/26/66/04/330266604.db2.gz NJSJEBWGQOPYOF-QWHCGFSZSA-N 2 0 268.405 1.100 20 30 CDEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424137730 330274924 /nfs/dbraw/zinc/27/49/24/330274924.db2.gz SLFAGGZTKKLQCU-RBSFLKMASA-N 2 0 294.443 1.492 20 30 CDEDRP C[NH+](C)C1(CNC(=O)[C@@H]([NH3+])CCCC#N)CCCCCC1 ZINC000424145590 330291533 /nfs/dbraw/zinc/29/15/33/330291533.db2.gz ZDDRVPSIUMVSKW-AWEZNQCLSA-N 2 0 294.443 1.778 20 30 CDEDRP C#CC[N@H+](C)CCCNC1CC[NH+](C2CCCC2)CC1 ZINC000491209475 332166256 /nfs/dbraw/zinc/16/62/56/332166256.db2.gz HSKKXZNTDFBJTP-UHFFFAOYSA-N 2 0 277.456 1.938 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=[NH2+])NCCc1cccs1 ZINC000491415182 332207577 /nfs/dbraw/zinc/20/75/77/332207577.db2.gz HAXHCRIZKJTRHV-UHFFFAOYSA-N 2 0 278.425 1.360 20 30 CDEDRP C#CCN(Cc1ccccc1)C[C@H](O)C[N@@H+](C)CCOC ZINC000491516178 332227808 /nfs/dbraw/zinc/22/78/08/332227808.db2.gz RMMKUWDHIUMOQY-QGZVFWFLSA-N 2 0 290.407 1.061 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000491795744 332354920 /nfs/dbraw/zinc/35/49/20/332354920.db2.gz WVKHCFMIDPKDDT-CABCVRRESA-N 2 0 294.443 1.114 20 30 CDEDRP C[NH+](C)[C@@]1(CNC[C@H](C#N)CCC#N)CCSC1 ZINC000581603040 336110252 /nfs/dbraw/zinc/11/02/52/336110252.db2.gz HOTSWWQVYFRBDR-QWHCGFSZSA-N 2 0 266.414 1.457 20 30 CDEDRP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001715532765 1179704062 /nfs/dbraw/zinc/70/40/62/1179704062.db2.gz XAZPDSXEZNMGOR-CQSZACIVSA-N 2 0 267.417 1.437 20 30 CDEDRP C=C(C)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001753852893 1185360613 /nfs/dbraw/zinc/36/06/13/1185360613.db2.gz DNNQGIFHHQHOQM-HNNXBMFYSA-N 2 0 281.444 1.826 20 30 CDEDRP C#CCCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000766894765 576143190 /nfs/dbraw/zinc/14/31/90/576143190.db2.gz GRCLXXUVMXTGME-IAGOWNOFSA-N 2 0 277.456 1.890 20 30 CDEDRP CC[N@@H+]1CCC(=NNC(=S)NCCC[NH+](C)C)[C@@H](C)C1 ZINC000741464901 576560075 /nfs/dbraw/zinc/56/00/75/576560075.db2.gz WLTOYRVEXIMXHM-LBPRGKRZSA-N 2 0 299.488 1.120 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000972647555 613089230 /nfs/dbraw/zinc/08/92/30/613089230.db2.gz AMJAJUDDLRVTNR-INIZCTEOSA-N 2 0 291.439 1.273 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000968989297 613348780 /nfs/dbraw/zinc/34/87/80/613348780.db2.gz HRCHNLLEVHIJMN-KGLIPLIRSA-N 2 0 267.417 1.339 20 30 CDEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000970163098 613486859 /nfs/dbraw/zinc/48/68/59/613486859.db2.gz LKIWNCGTDQMBGF-ZDUSSCGKSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000972154959 613614905 /nfs/dbraw/zinc/61/49/05/613614905.db2.gz RFJPIXRRSZYOOC-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000969795565 613661966 /nfs/dbraw/zinc/66/19/66/613661966.db2.gz HEFNLPFDOIJUCO-HIFRSBDPSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000981322057 613691657 /nfs/dbraw/zinc/69/16/57/613691657.db2.gz KCIZWGJDCNYUSW-MRXNPFEDSA-N 2 0 293.455 1.685 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000948779638 613700836 /nfs/dbraw/zinc/70/08/36/613700836.db2.gz QPNRUBPLMPPCFD-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3CC)[C@@H]2C1 ZINC000979078571 613834616 /nfs/dbraw/zinc/83/46/16/613834616.db2.gz OHVAABVPRXYVSW-JONQDZQNSA-N 2 0 291.439 1.341 20 30 CDEDRP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000981366376 613872814 /nfs/dbraw/zinc/87/28/14/613872814.db2.gz BXUHMWMUEFYAIN-HOTGVXAUSA-N 2 0 293.455 1.921 20 30 CDEDRP CCOCCC[NH+]=C(NC[C@H]1CCC[N@@H+]1C)NC(C)(C)C ZINC000912499619 630042361 /nfs/dbraw/zinc/04/23/61/630042361.db2.gz VRPSLKUSNCCAAD-CQSZACIVSA-N 2 0 298.475 1.841 20 30 CDEDRP C[NH+]=C(NCCC(F)(F)F)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000153533326 631683138 /nfs/dbraw/zinc/68/31/38/631683138.db2.gz QTGINJHVDMYKIM-NSHDSACASA-N 2 0 290.333 1.460 20 30 CDEDRP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001754284099 1159073733 /nfs/dbraw/zinc/07/37/33/1159073733.db2.gz ZDDKCAAUHUXBKC-XJKSGUPXSA-N 2 0 299.434 1.869 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130170034 1162564659 /nfs/dbraw/zinc/56/46/59/1162564659.db2.gz NSSRDBNAHCFTTL-UHFFFAOYSA-N 2 0 265.401 1.144 20 30 CDEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130713314 1162698650 /nfs/dbraw/zinc/69/86/50/1162698650.db2.gz KMPHLLQXNLBSSX-HNNXBMFYSA-N 2 0 297.443 1.015 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131789970 1163047162 /nfs/dbraw/zinc/04/71/62/1163047162.db2.gz CDEOAXCNSJLKER-OAHLLOKOSA-N 2 0 279.428 1.533 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131835594 1163077636 /nfs/dbraw/zinc/07/76/36/1163077636.db2.gz XZAWYXADSQNTCC-UHFFFAOYSA-N 2 0 287.835 1.709 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001133072132 1163560338 /nfs/dbraw/zinc/56/03/38/1163560338.db2.gz GDAUKPQKCJBPMB-HOTGVXAUSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CC[NH+]1CCC(N(CCC)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001566699359 1168390951 /nfs/dbraw/zinc/39/09/51/1168390951.db2.gz ICDDLWYMBRNTJU-MRXNPFEDSA-N 2 0 293.455 1.663 20 30 CDEDRP C#CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH2+]CC1 ZINC001574583080 1170994954 /nfs/dbraw/zinc/99/49/54/1170994954.db2.gz DCCSKTKLPKRWAJ-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP N#Cc1ccc(N2CCC([NH2+][C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC001580067009 1172340548 /nfs/dbraw/zinc/34/05/48/1172340548.db2.gz CMDJDRGSCKZYKB-CTYIDZIISA-N 2 0 270.380 1.606 20 30 CDEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001690128025 1175382787 /nfs/dbraw/zinc/38/27/87/1175382787.db2.gz IRDDBHMLQLDYMQ-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001717742767 1180821076 /nfs/dbraw/zinc/82/10/76/1180821076.db2.gz QEHXCPWPSFMJBL-CHWSQXEVSA-N 2 0 255.406 1.195 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001724779584 1181748457 /nfs/dbraw/zinc/74/84/57/1181748457.db2.gz UDNNQGGEIUFZCM-CVEARBPZSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001753232017 1182245388 /nfs/dbraw/zinc/24/53/88/1182245388.db2.gz HIXCDCKUKUEBQC-LSDHHAIUSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001752772776 1184907831 /nfs/dbraw/zinc/90/78/31/1184907831.db2.gz LCETWAMCWFRDKQ-OKILXGFUSA-N 2 0 277.412 1.285 20 30 CDEDRP C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001752921067 1184966521 /nfs/dbraw/zinc/96/65/21/1184966521.db2.gz LJQCEEVUTZEPGH-KBPBESRZSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CC[N@@H+](C)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001753074164 1185041387 /nfs/dbraw/zinc/04/13/87/1185041387.db2.gz BHXCPLVERORQFE-STQMWFEESA-N 2 0 253.390 1.093 20 30 CDEDRP C=CC[NH+](C)C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001753360743 1185168991 /nfs/dbraw/zinc/16/89/91/1185168991.db2.gz RISLSCMJDWELCB-CQSZACIVSA-N 2 0 267.417 1.295 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001753895454 1185384834 /nfs/dbraw/zinc/38/48/34/1185384834.db2.gz XYEABZZZMHVZMA-HOTGVXAUSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001754267814 1185541008 /nfs/dbraw/zinc/54/10/08/1185541008.db2.gz YOHJTAQMSGJVOL-GJZGRUSLSA-N 2 0 281.444 1.920 20 30 CDEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001754546204 1185664735 /nfs/dbraw/zinc/66/47/35/1185664735.db2.gz HODOMSJTIXBOPX-CABCVRRESA-N 2 0 279.428 1.578 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCC1 ZINC001754988299 1185780489 /nfs/dbraw/zinc/78/04/89/1185780489.db2.gz YULHJVLPCIBRJU-UHFFFAOYSA-N 2 0 279.428 1.533 20 30 CDEDRP C#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001755046162 1185800213 /nfs/dbraw/zinc/80/02/13/1185800213.db2.gz WOOYSIIDKIUCHA-HZPDHXFCSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001755594195 1186005768 /nfs/dbraw/zinc/00/57/68/1186005768.db2.gz NDACJZWLNWJLQT-HUUCEWRRSA-N 2 0 281.444 1.729 20 30 CDEDRP C=CCC[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001755604977 1186009589 /nfs/dbraw/zinc/00/95/89/1186009589.db2.gz FLHJWUSHZQXJKG-CYBMUJFWSA-N 2 0 267.417 1.341 20 30 CDEDRP C=C(C)CN1CC[C@]2(CCC[N@@H+]2CCn2ccnc2)C1=O ZINC001273785084 1164419737 /nfs/dbraw/zinc/41/97/37/1164419737.db2.gz NVWRKCNGBSINMZ-MRXNPFEDSA-N 2 0 288.395 1.526 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC1CC[NH+](C)CC1 ZINC001340063566 962721991 /nfs/dbraw/zinc/72/19/91/962721991.db2.gz PLKYYQZBMFUEMI-CYBMUJFWSA-N 2 0 253.390 1.128 20 30 CDEDRP C#CCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001036896348 742841163 /nfs/dbraw/zinc/84/11/63/742841163.db2.gz NMYVWGROQDYOEW-HOTGVXAUSA-N 2 0 289.423 1.028 20 30 CDEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC000999760307 742853655 /nfs/dbraw/zinc/85/36/55/742853655.db2.gz RTAMPYURJPMAKP-DQPZFDDXSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC=C)C1 ZINC001033161512 742906104 /nfs/dbraw/zinc/90/61/04/742906104.db2.gz MUMRHZUXZVXEOZ-HOTGVXAUSA-N 2 0 289.423 1.193 20 30 CDEDRP CNC(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)=[NH+]C ZINC000068041910 742918465 /nfs/dbraw/zinc/91/84/65/742918465.db2.gz ZOZJCNIPRPWYNH-AWEZNQCLSA-N 2 0 266.433 1.826 20 30 CDEDRP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001050183508 743033855 /nfs/dbraw/zinc/03/38/55/743033855.db2.gz DFHKQHVCSRDMSO-LSDHHAIUSA-N 2 0 289.423 1.191 20 30 CDEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)C1CCC1)CC2 ZINC001035724125 743054096 /nfs/dbraw/zinc/05/40/96/743054096.db2.gz RAGGBJWXHDYCIB-UHFFFAOYSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001036054215 743065215 /nfs/dbraw/zinc/06/52/15/743065215.db2.gz JXPIUDPCEQJUAK-DZGCQCFKSA-N 2 0 279.428 1.483 20 30 CDEDRP CCC[N@H+](CC)CCNC(=[NH2+])NCc1ccccc1OC ZINC000176968887 743174479 /nfs/dbraw/zinc/17/44/79/743174479.db2.gz DIPOWIAIRYLDEX-UHFFFAOYSA-N 2 0 292.427 1.831 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)Cc2cncn2C)CC1 ZINC001003971452 743203574 /nfs/dbraw/zinc/20/35/74/743203574.db2.gz PKRVHKGVTIEJFZ-UHFFFAOYSA-N 2 0 290.411 1.509 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2CC)CC1 ZINC000883342358 743213662 /nfs/dbraw/zinc/21/36/62/743213662.db2.gz UGJFPNVXMQGUIA-HNNXBMFYSA-N 2 0 294.443 1.420 20 30 CDEDRP C[C@H](C[NH+]=C(N(C)C)N(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000261987802 743238538 /nfs/dbraw/zinc/23/85/38/743238538.db2.gz KQGMUVXWIZZKNV-CHWSQXEVSA-N 2 0 254.422 1.586 20 30 CDEDRP [NH2+]=C(NCCC[NH+]1CCC(O)CC1)N1CCCCCC1 ZINC000305088721 743302821 /nfs/dbraw/zinc/30/28/21/743302821.db2.gz VYFOPFGDMKYEEY-UHFFFAOYSA-N 2 0 282.432 1.024 20 30 CDEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000930702511 743313894 /nfs/dbraw/zinc/31/38/94/743313894.db2.gz GNGBZLRRDINRKN-OAHLLOKOSA-N 2 0 294.443 1.553 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1(C)C ZINC000996669474 743323004 /nfs/dbraw/zinc/32/30/04/743323004.db2.gz GAKQBEBWIFIQNO-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041832166 743359832 /nfs/dbraw/zinc/35/98/32/743359832.db2.gz UODOARIEJXJHSN-WBVHZDCISA-N 2 0 291.439 1.439 20 30 CDEDRP CCNC(NCC1([NH+]2CCCC2)CCOCC1)=[NH+]CC ZINC000303984663 743602077 /nfs/dbraw/zinc/60/20/77/743602077.db2.gz HTCHPZBGJKNDGN-UHFFFAOYSA-N 2 0 282.432 1.206 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001034795014 744988121 /nfs/dbraw/zinc/98/81/21/744988121.db2.gz RFVAEQMRHWSCRJ-HDJSIYSDSA-N 2 0 299.846 1.852 20 30 CDEDRP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001028591163 745001742 /nfs/dbraw/zinc/00/17/42/745001742.db2.gz FJUJSBHUQVJTRR-CVEARBPZSA-N 2 0 291.439 1.036 20 30 CDEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001072854155 745042637 /nfs/dbraw/zinc/04/26/37/745042637.db2.gz FMNQVKIISSHCAE-HNNXBMFYSA-N 2 0 289.423 1.028 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033358988 745062231 /nfs/dbraw/zinc/06/22/31/745062231.db2.gz SQVMYORGRMALIO-JYJNAYRXSA-N 2 0 291.439 1.273 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]C(C)C)C2)CC1 ZINC000985145096 745072640 /nfs/dbraw/zinc/07/26/40/745072640.db2.gz FZAMINQUFBZPKV-KOMQPUFPSA-N 2 0 291.439 1.224 20 30 CDEDRP C=C(C)C[NH2+]C1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001026561400 745086514 /nfs/dbraw/zinc/08/65/14/745086514.db2.gz ZERQTBMXLDNXLN-QQFBHYJXSA-N 2 0 293.455 1.921 20 30 CDEDRP C#C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)[C@H]1CCCO1 ZINC000775571192 745235633 /nfs/dbraw/zinc/23/56/33/745235633.db2.gz CDSLMPJZXWKZEL-HZPDHXFCSA-N 2 0 285.391 1.821 20 30 CDEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001050669149 745255367 /nfs/dbraw/zinc/25/53/67/745255367.db2.gz SKDDTUBRQIOGQK-HNNXBMFYSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CCN1CCC[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC000923573959 745353161 /nfs/dbraw/zinc/35/31/61/745353161.db2.gz ATRRIZKCIIKDEL-CABCVRRESA-N 2 0 279.428 1.321 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001019823259 745571624 /nfs/dbraw/zinc/57/16/24/745571624.db2.gz GABONNOAFUJSNQ-JKSUJKDBSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200650 745634785 /nfs/dbraw/zinc/63/47/85/745634785.db2.gz UPASYLPAXCINJX-TZMCWYRMSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000999513434 745729416 /nfs/dbraw/zinc/72/94/16/745729416.db2.gz SOMOUGGFAALXCE-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001072981304 745857895 /nfs/dbraw/zinc/85/78/95/745857895.db2.gz CYACRSJZMXZBSF-AWEZNQCLSA-N 2 0 277.412 1.191 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028658762 745861126 /nfs/dbraw/zinc/86/11/26/745861126.db2.gz GFBXUZZDDHDRFS-HNNXBMFYSA-N 2 0 289.423 1.076 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001019664808 745868508 /nfs/dbraw/zinc/86/85/08/745868508.db2.gz PUMXYCKPYVGUJK-ZDUSSCGKSA-N 2 0 288.395 1.528 20 30 CDEDRP C#CC[N@@H+](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000985518672 745886171 /nfs/dbraw/zinc/88/61/71/745886171.db2.gz UJCNCVOOBTXUMQ-UHFFFAOYSA-N 2 0 289.423 1.171 20 30 CDEDRP C=C(Cl)CN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015649329 745910371 /nfs/dbraw/zinc/91/03/71/745910371.db2.gz SGQBBDWZIORELH-ZDUSSCGKSA-N 2 0 285.819 1.271 20 30 CDEDRP C[NH+]=C(NC[C@H](C)[NH+]1CCC(C)CC1)NC1CC1 ZINC000848998798 745917963 /nfs/dbraw/zinc/91/79/63/745917963.db2.gz YBNAFLJSRUTHGU-LBPRGKRZSA-N 2 0 252.406 1.434 20 30 CDEDRP C=CC[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028900860 745945126 /nfs/dbraw/zinc/94/51/26/745945126.db2.gz MDAMQKPWQHHSEF-OAHLLOKOSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCc2nccn2C)[C@@H]1C ZINC000986605095 746013450 /nfs/dbraw/zinc/01/34/50/746013450.db2.gz WPICLKYEZKZHKX-KGLIPLIRSA-N 2 0 290.411 1.508 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001027693718 746038621 /nfs/dbraw/zinc/03/86/21/746038621.db2.gz HTHMYZHHIUHGDQ-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000883166704 746055781 /nfs/dbraw/zinc/05/57/81/746055781.db2.gz HCQFLYWUKMYWNQ-SJORKVTESA-N 2 0 295.471 1.727 20 30 CDEDRP CCN(CC)C(=[NH2+])NCC[C@H](C)[NH+]1CCCCC1 ZINC000305833481 746060617 /nfs/dbraw/zinc/06/06/17/746060617.db2.gz VQNGIUOGPGSHIY-ZDUSSCGKSA-N 2 0 254.422 1.907 20 30 CDEDRP C=CCC[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034375421 746124656 /nfs/dbraw/zinc/12/46/56/746124656.db2.gz BMUQZDZHEGRMGO-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024637691 746211697 /nfs/dbraw/zinc/21/16/97/746211697.db2.gz OEEJWBSFQYWFDH-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032128787 746249001 /nfs/dbraw/zinc/24/90/01/746249001.db2.gz KBSXHNJDVIZKKZ-JKSUJKDBSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001008554600 746286013 /nfs/dbraw/zinc/28/60/13/746286013.db2.gz YNQNKQCTQVXCRO-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C ZINC001074878314 746335904 /nfs/dbraw/zinc/33/59/04/746335904.db2.gz MVKIEXBYVNFTJR-KKUMJFAQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033359146 746472828 /nfs/dbraw/zinc/47/28/28/746472828.db2.gz VFVRAKGFEBKUTD-HRCADAONSA-N 2 0 293.455 1.826 20 30 CDEDRP CCCNC(=[NH2+])NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000203011808 746693523 /nfs/dbraw/zinc/69/35/23/746693523.db2.gz NNQXEVUDQCAILI-TZMCWYRMSA-N 2 0 254.422 1.811 20 30 CDEDRP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008404968 746778789 /nfs/dbraw/zinc/77/87/89/746778789.db2.gz KCDXTCZUAOGRQG-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999143201 746809654 /nfs/dbraw/zinc/80/96/54/746809654.db2.gz FMLOOOAGOBTMAJ-LSDHHAIUSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001040532331 746865473 /nfs/dbraw/zinc/86/54/73/746865473.db2.gz WCFVFOSGMRFQCI-QGZVFWFLSA-N 2 0 289.423 1.030 20 30 CDEDRP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001045389232 746889659 /nfs/dbraw/zinc/88/96/59/746889659.db2.gz HMZVNFULZRFJII-AWEZNQCLSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001074648988 746890896 /nfs/dbraw/zinc/89/08/96/746890896.db2.gz LMLBUVYBAMXRDU-SOUVJXGZSA-N 2 0 277.412 1.071 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000793367900 746931493 /nfs/dbraw/zinc/93/14/93/746931493.db2.gz BXBTUARCNOJBRN-UHFFFAOYSA-N 2 0 285.457 1.048 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996614363 746995145 /nfs/dbraw/zinc/99/51/45/746995145.db2.gz MTTMWYRLNQGFPI-CYBMUJFWSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001000921537 747033752 /nfs/dbraw/zinc/03/37/52/747033752.db2.gz WKUQRLYTLSHOKF-ZDUSSCGKSA-N 2 0 285.819 1.415 20 30 CDEDRP CCCCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000303897923 747098341 /nfs/dbraw/zinc/09/83/41/747098341.db2.gz QVIQVQCYJWNYOF-QWHCGFSZSA-N 2 0 254.422 1.954 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000996667094 747284525 /nfs/dbraw/zinc/28/45/25/747284525.db2.gz WXSNYRXYFBGXAM-UHFFFAOYSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001028446868 747325731 /nfs/dbraw/zinc/32/57/31/747325731.db2.gz JFTIOEBYPVADFX-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432231 747332329 /nfs/dbraw/zinc/33/23/29/747332329.db2.gz ZCQBLJHVEVDWGF-OWCLPIDISA-N 2 0 293.455 1.683 20 30 CDEDRP C[C@H](C#N)OCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134919 747368934 /nfs/dbraw/zinc/36/89/34/747368934.db2.gz SLDXMMZYZJSLDF-UONOGXRCSA-N 2 0 274.368 1.521 20 30 CDEDRP C=CCC[N@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001049174247 747667423 /nfs/dbraw/zinc/66/74/23/747667423.db2.gz QNEQWIPGVZEICA-GASCZTMLSA-N 2 0 289.423 1.049 20 30 CDEDRP C[C@H]1CCC[N@H+](CCCCNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000249882142 747814048 /nfs/dbraw/zinc/81/40/48/747814048.db2.gz NVDKIEFMMKQURZ-LSDHHAIUSA-N 2 0 296.459 1.582 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023572674 747823100 /nfs/dbraw/zinc/82/31/00/747823100.db2.gz KRFRGPNXTRTOFL-OAHLLOKOSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001016928928 747877471 /nfs/dbraw/zinc/87/74/71/747877471.db2.gz AZFYSWIUFWFNLG-HUUCEWRRSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001000098141 748029101 /nfs/dbraw/zinc/02/91/01/748029101.db2.gz BGAMOGQTIPMQLU-UONOGXRCSA-N 2 0 267.417 1.339 20 30 CDEDRP C#CCN1CCC[C@@H](NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000923557366 748421862 /nfs/dbraw/zinc/42/18/62/748421862.db2.gz MBFYEEJLTHUFBP-ZIAGYGMSSA-N 2 0 277.412 1.073 20 30 CDEDRP CC(C)CNC(=[NH2+])NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303892619 748441835 /nfs/dbraw/zinc/44/18/35/748441835.db2.gz NSWYEVVBRNMCSB-OKILXGFUSA-N 2 0 268.449 1.915 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](OC)C(C)(C)C ZINC000304706549 748548151 /nfs/dbraw/zinc/54/81/51/748548151.db2.gz KWYPKWOCVBODFK-STQMWFEESA-N 2 0 284.448 1.436 20 30 CDEDRP C=C(Cl)CN1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014469706 748585100 /nfs/dbraw/zinc/58/51/00/748585100.db2.gz TWRUXNRYNJRARW-ZIAGYGMSSA-N 2 0 297.830 1.271 20 30 CDEDRP CC#CCN1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046314265 748789713 /nfs/dbraw/zinc/78/97/13/748789713.db2.gz AHYHNXOSFQOPJO-NVXWUHKLSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027518874 748880424 /nfs/dbraw/zinc/88/04/24/748880424.db2.gz BANLPGAXXYDLGM-OAHLLOKOSA-N 2 0 291.439 1.417 20 30 CDEDRP COCC[N@H+](C)CCCC1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000809576753 748894729 /nfs/dbraw/zinc/89/47/29/748894729.db2.gz QUMXCPMGDXVIEA-MRXNPFEDSA-N 2 0 297.443 1.331 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996608900 748908778 /nfs/dbraw/zinc/90/87/78/748908778.db2.gz HUTHXPYXLFXFNO-UONOGXRCSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046196415 748922531 /nfs/dbraw/zinc/92/25/31/748922531.db2.gz BUGDHXGQHMQHCC-GOEBONIOSA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034490362 749031133 /nfs/dbraw/zinc/03/11/33/749031133.db2.gz KXHNYZVBUQXGCS-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993751071 749049306 /nfs/dbraw/zinc/04/93/06/749049306.db2.gz FHEFEPGLQNLXBV-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2c[nH]cn2)C1 ZINC000988931619 749091788 /nfs/dbraw/zinc/09/17/88/749091788.db2.gz AYGUCFGFGXSWRH-GXTWGEPZSA-N 2 0 276.384 1.497 20 30 CDEDRP C=C(Cl)CN1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072082122 749263876 /nfs/dbraw/zinc/26/38/76/749263876.db2.gz WDUPWINXJRFLRY-ZIAGYGMSSA-N 2 0 299.846 1.804 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001018967368 749332161 /nfs/dbraw/zinc/33/21/61/749332161.db2.gz BPQZGKCKPNJPED-HOCLYGCPSA-N 2 0 289.423 1.217 20 30 CDEDRP C[N@H+](CCN1CC[NH+](C)CC1)C1CCC(CC#N)CC1 ZINC001173337456 912433968 /nfs/dbraw/zinc/43/39/68/912433968.db2.gz KZULJAINMKXGHY-UHFFFAOYSA-N 2 0 278.444 1.638 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001208264764 894157249 /nfs/dbraw/zinc/15/72/49/894157249.db2.gz OATNTNJVEXHWRJ-ZIAGYGMSSA-N 2 0 285.407 1.433 20 30 CDEDRP C=CCCCCC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176058668 913943348 /nfs/dbraw/zinc/94/33/48/913943348.db2.gz ZQNHXPMIDCJESB-HNNXBMFYSA-N 2 0 281.444 1.780 20 30 CDEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001112522845 899132107 /nfs/dbraw/zinc/13/21/07/899132107.db2.gz QKKNBUGMBLRMBB-RDJZCZTQSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)Cc2cncn2C)[C@@H]1C ZINC000994232306 914438278 /nfs/dbraw/zinc/43/82/78/914438278.db2.gz PNZYRBVWROTQOF-DZGCQCFKSA-N 2 0 290.411 1.508 20 30 CDEDRP N#Cc1cnc(NC(=[NH2+])NCCCC[NH3+])c2ccccc12 ZINC001167879217 901610586 /nfs/dbraw/zinc/61/05/86/901610586.db2.gz IMHGPFGRRUYVQC-UHFFFAOYSA-N 2 0 282.351 1.782 20 30 CDEDRP [NH2+]=C(NCCCC[NH3+])Nc1ccc2c(c1)CC/C2=N/O ZINC001167883307 901642019 /nfs/dbraw/zinc/64/20/19/901642019.db2.gz FTXRTDURWCUMGQ-UYRXBGFRSA-N 2 0 275.356 1.486 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001177317885 914594272 /nfs/dbraw/zinc/59/42/72/914594272.db2.gz KGBHOPPYRDVYID-UHFFFAOYSA-N 2 0 291.395 1.464 20 30 CDEDRP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001028579540 902654398 /nfs/dbraw/zinc/65/43/98/902654398.db2.gz GVDADPHLFKXYLU-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001269091888 903408236 /nfs/dbraw/zinc/40/82/36/903408236.db2.gz BHYCRAQGEGERCL-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001203438022 905301122 /nfs/dbraw/zinc/30/11/22/905301122.db2.gz ZMUDUICWQHJRPG-UHFFFAOYSA-N 2 0 253.390 1.095 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1CC ZINC001087727911 905799291 /nfs/dbraw/zinc/79/92/91/905799291.db2.gz TUAHDVDISYETPC-LSDHHAIUSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC ZINC001087799372 905857193 /nfs/dbraw/zinc/85/71/93/905857193.db2.gz QTDVSGSKADAZDF-UONOGXRCSA-N 2 0 277.412 1.237 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001088414728 907129546 /nfs/dbraw/zinc/12/95/46/907129546.db2.gz OVUAHGNXRTTYSB-OAHLLOKOSA-N 2 0 289.423 1.076 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001568139381 1169146521 /nfs/dbraw/zinc/14/65/21/1169146521.db2.gz VWIRIDGUPNPGAQ-CQSZACIVSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001189890984 921736313 /nfs/dbraw/zinc/73/63/13/921736313.db2.gz MLEZZPQQAOEGFM-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H](CC)[NH+](C)C ZINC001179609680 915904307 /nfs/dbraw/zinc/90/43/07/915904307.db2.gz XOZNNCWVUJMVMM-HNNXBMFYSA-N 2 0 281.444 1.616 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001180060646 916138849 /nfs/dbraw/zinc/13/88/49/916138849.db2.gz KJKBAHDUEKJTCL-OAHLLOKOSA-N 2 0 281.444 1.780 20 30 CDEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106980838 917619264 /nfs/dbraw/zinc/61/92/64/917619264.db2.gz BXWSKYGLSLOYTE-BZUAXINKSA-N 2 0 293.455 1.588 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000997096457 918879523 /nfs/dbraw/zinc/87/95/23/918879523.db2.gz GANAWUGLJZEDDN-UHFFFAOYSA-N 2 0 299.418 1.576 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001185609043 919677238 /nfs/dbraw/zinc/67/72/38/919677238.db2.gz BOEQGVYLSBCSPE-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001185683605 919702328 /nfs/dbraw/zinc/70/23/28/919702328.db2.gz YJIWNFMLODBWRF-HZPDHXFCSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001185683604 919702714 /nfs/dbraw/zinc/70/27/14/919702714.db2.gz YJIWNFMLODBWRF-HOTGVXAUSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)Cn2ccnc2C)C[C@@H]1C ZINC001185689223 919704796 /nfs/dbraw/zinc/70/47/96/919704796.db2.gz BGIIAFWRODRRHG-ZFWWWQNUSA-N 2 0 290.411 1.452 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001185751020 919754938 /nfs/dbraw/zinc/75/49/38/919754938.db2.gz NOHPEOKZQLTCQP-HZPDHXFCSA-N 2 0 295.471 1.977 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001187276777 920448005 /nfs/dbraw/zinc/44/80/05/920448005.db2.gz VCAFWIIZJMRLEG-CYBMUJFWSA-N 2 0 287.835 1.661 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001187299265 920482820 /nfs/dbraw/zinc/48/28/20/920482820.db2.gz YLFIPALIQGXZSI-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203027224 936706000 /nfs/dbraw/zinc/70/60/00/936706000.db2.gz DAICHZOAPFBKLR-UONOGXRCSA-N 2 0 289.423 1.121 20 30 CDEDRP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001190897983 922284837 /nfs/dbraw/zinc/28/48/37/922284837.db2.gz AIMMRKSMTGJAGQ-HUUCEWRRSA-N 2 0 297.443 1.062 20 30 CDEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001191966707 922859329 /nfs/dbraw/zinc/85/93/29/922859329.db2.gz BBNORLFOUCMMPO-HRCADAONSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170614 922929971 /nfs/dbraw/zinc/92/99/71/922929971.db2.gz OFOSIESDJXFFHW-CABCVRRESA-N 2 0 281.444 1.826 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC(C)(C)CCC[NH+](C)C ZINC000836855123 936806126 /nfs/dbraw/zinc/80/61/26/936806126.db2.gz HAPJTKPNJFNRGI-UHFFFAOYSA-N 2 0 255.406 1.341 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192680751 923190217 /nfs/dbraw/zinc/19/02/17/923190217.db2.gz WYBHQORDBSHRGY-MRXNPFEDSA-N 2 0 293.455 1.827 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(F)cc1C#N ZINC001141165276 936823765 /nfs/dbraw/zinc/82/37/65/936823765.db2.gz XTOAOJKJRFSZLJ-UHFFFAOYSA-N 2 0 292.402 1.623 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193290644 923590419 /nfs/dbraw/zinc/59/04/19/923590419.db2.gz CPTDRQNBKQMOLM-ZDUSSCGKSA-N 2 0 253.390 1.047 20 30 CDEDRP CC#CC[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001193610197 923802230 /nfs/dbraw/zinc/80/22/30/923802230.db2.gz NOQQWTJJCPHHPF-HNNXBMFYSA-N 2 0 279.428 1.274 20 30 CDEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001193630987 923819223 /nfs/dbraw/zinc/81/92/23/923819223.db2.gz QVKIGSWMXLJKMC-AWEZNQCLSA-N 2 0 267.417 1.437 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001079494644 924343061 /nfs/dbraw/zinc/34/30/61/924343061.db2.gz KPLIQXUSJFHAJT-KFWWJZLASA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)CC[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196952749 925019977 /nfs/dbraw/zinc/01/99/77/925019977.db2.gz AJQJNSYXGYWLTK-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=C(C)CC[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197044169 925035845 /nfs/dbraw/zinc/03/58/45/925035845.db2.gz NYMWIQJZKUCFAE-UHFFFAOYSA-N 2 0 267.417 1.439 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342843 936969924 /nfs/dbraw/zinc/96/99/24/936969924.db2.gz PMTWGQNQKSRFPA-ZBFHGGJFSA-N 2 0 291.439 1.295 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001084429256 925249829 /nfs/dbraw/zinc/24/98/29/925249829.db2.gz VSKJVYWTBWOAQC-KFWWJZLASA-N 2 0 279.428 1.291 20 30 CDEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294052 937051036 /nfs/dbraw/zinc/05/10/36/937051036.db2.gz FXQSZEVCQWDKEX-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330237 937052971 /nfs/dbraw/zinc/05/29/71/937052971.db2.gz KFCAQZRDUATIEA-BZUAXINKSA-N 2 0 295.471 1.833 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001201239719 926226583 /nfs/dbraw/zinc/22/65/83/926226583.db2.gz MBHATKCCKMZRRT-CQSZACIVSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001085673242 926276463 /nfs/dbraw/zinc/27/64/63/926276463.db2.gz SKLOAODZIZKZRW-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP Cc1nc(C#N)c(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)o1 ZINC001201654196 926377479 /nfs/dbraw/zinc/37/74/79/926377479.db2.gz IUOUVUJZXIIDBF-UHFFFAOYSA-N 2 0 298.350 1.745 20 30 CDEDRP C#CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001085986867 926567389 /nfs/dbraw/zinc/56/73/89/926567389.db2.gz OOYIRDLVTRQWCG-CABCVRRESA-N 2 0 277.412 1.027 20 30 CDEDRP CC#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001085988267 926572288 /nfs/dbraw/zinc/57/22/88/926572288.db2.gz YIPOHWDDWQRNGQ-HZPDHXFCSA-N 2 0 291.439 1.417 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155237837 926671290 /nfs/dbraw/zinc/67/12/90/926671290.db2.gz MJXPNSWEUZFROM-LSDHHAIUSA-N 2 0 279.428 1.178 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103719099 937152239 /nfs/dbraw/zinc/15/22/39/937152239.db2.gz QOHPLLSPSSWCTQ-BZUAXINKSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ncc[nH]1)C2 ZINC001109208864 928838069 /nfs/dbraw/zinc/83/80/69/928838069.db2.gz DJJSWJJLRVFOFI-AGIUHOORSA-N 2 0 274.368 1.250 20 30 CDEDRP C[NH+](C)[C@@H]1CCCC(=NNCC[NH+]2CCCCC2)C1 ZINC000788425763 929516045 /nfs/dbraw/zinc/51/60/45/929516045.db2.gz JTQALYJLROCYAY-OAHLLOKOSA-N 2 0 266.433 1.922 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001112922721 929571515 /nfs/dbraw/zinc/57/15/15/929571515.db2.gz RSLGUSINXCXWMS-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135314762 930150180 /nfs/dbraw/zinc/15/01/80/930150180.db2.gz GSDHTWFWKNYTDT-LSDHHAIUSA-N 2 0 299.459 1.404 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135475735 930227208 /nfs/dbraw/zinc/22/72/08/930227208.db2.gz FVAPXOWTMJGHIH-KBPBESRZSA-N 2 0 281.444 1.470 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001115730174 937416487 /nfs/dbraw/zinc/41/64/87/937416487.db2.gz DDYFNVBXWMMEHK-OAHLLOKOSA-N 2 0 293.455 1.923 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135961130 930578443 /nfs/dbraw/zinc/57/84/43/930578443.db2.gz LZBFRTZDMPYYCM-ZIAGYGMSSA-N 2 0 269.433 1.777 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153824366 937474344 /nfs/dbraw/zinc/47/43/44/937474344.db2.gz ROWKKFWFKVVAJP-HIFRSBDPSA-N 2 0 279.428 1.177 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCCC[N@H+]1CCCC[C@@H]1C ZINC000104156693 931320986 /nfs/dbraw/zinc/32/09/86/931320986.db2.gz ATRXALZTVINAIV-ZDUSSCGKSA-N 2 0 252.406 1.731 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001171117560 931577292 /nfs/dbraw/zinc/57/72/92/931577292.db2.gz BTCAZEPUEBAPCY-CVEARBPZSA-N 2 0 293.455 1.759 20 30 CDEDRP CC1(C#N)CCC([N@@H+]2CCCC[C@](O)(C[NH3+])C2)CC1 ZINC001246556856 931762961 /nfs/dbraw/zinc/76/29/61/931762961.db2.gz GQHHFDVGSHDDNL-NRXISQOPSA-N 2 0 265.401 1.635 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001091058579 931773832 /nfs/dbraw/zinc/77/38/32/931773832.db2.gz RXUUHVODYMMSBQ-GPANFISMSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171254556 932144253 /nfs/dbraw/zinc/14/42/53/932144253.db2.gz UJFKYEAMBYMEJK-UKRRQHHQSA-N 2 0 281.444 1.777 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146337425 932236600 /nfs/dbraw/zinc/23/66/00/932236600.db2.gz CKSFDFVKJYNJMA-CHWSQXEVSA-N 2 0 253.390 1.141 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146391315 932243922 /nfs/dbraw/zinc/24/39/22/932243922.db2.gz BOOZLHLPSBWWHR-UHFFFAOYSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146537255 932262673 /nfs/dbraw/zinc/26/26/73/932262673.db2.gz YCBBGNAAMOPDKJ-CABCVRRESA-N 2 0 281.444 1.921 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001147409702 932502040 /nfs/dbraw/zinc/50/20/40/932502040.db2.gz HOCDVMZOIATHGH-KRWDZBQOSA-N 2 0 289.423 1.745 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001155180904 937645292 /nfs/dbraw/zinc/64/52/92/937645292.db2.gz WAGNMCWZZQLLGK-CVEARBPZSA-N 2 0 295.471 1.957 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001156016387 937694667 /nfs/dbraw/zinc/69/46/67/937694667.db2.gz AJFGOPAGMWTJKQ-GFCCVEGCSA-N 2 0 264.373 1.355 20 30 CDEDRP C[C@@H](CC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)[NH+](C)C ZINC001120580487 937813216 /nfs/dbraw/zinc/81/32/16/937813216.db2.gz AYGUQNXAQNZWQC-DZGCQCFKSA-N 2 0 291.395 1.228 20 30 CDEDRP C#CCN1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001008343568 935400832 /nfs/dbraw/zinc/40/08/32/935400832.db2.gz PBWUSTPWGZFFNG-CQSZACIVSA-N 2 0 289.379 1.169 20 30 CDEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001096538308 936148996 /nfs/dbraw/zinc/14/89/96/936148996.db2.gz FEVLCCLWTACSHV-XGUBFFRZSA-N 2 0 277.412 1.236 20 30 CDEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001120833751 937840360 /nfs/dbraw/zinc/84/03/60/937840360.db2.gz ADLVUFWHZDPRKD-UKEPKTAJSA-N 2 0 289.423 1.121 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001121900066 937888447 /nfs/dbraw/zinc/88/84/47/937888447.db2.gz AJCARQBANPSOHZ-CABCVRRESA-N 2 0 297.443 1.143 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC001122426648 937931172 /nfs/dbraw/zinc/93/11/72/937931172.db2.gz LGAFKUQAVMLDFM-SDDRHHMPSA-N 2 0 251.374 1.056 20 30 CDEDRP C=C(Cl)CN(CC)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156200864 938334984 /nfs/dbraw/zinc/33/49/84/938334984.db2.gz RSZMVWPMSFRNKT-CYBMUJFWSA-N 2 0 289.851 1.907 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475853 938372096 /nfs/dbraw/zinc/37/20/96/938372096.db2.gz VEOVEWHTPMUHQK-OAHLLOKOSA-N 2 0 281.444 1.568 20 30 CDEDRP C=CC[N@@H+](C)CCN(CC)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001156672540 938404452 /nfs/dbraw/zinc/40/44/52/938404452.db2.gz SGHJOBGKQPCECC-CQSZACIVSA-N 2 0 267.417 1.295 20 30 CDEDRP N#Cc1cnc2cc[nH]c(NC(=[NH2+])NCCCC[NH3+])c1-2 ZINC001157098838 938454026 /nfs/dbraw/zinc/45/40/26/938454026.db2.gz BOYZTOVLBVFYSD-UHFFFAOYSA-N 2 0 271.328 1.110 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001158072978 938580209 /nfs/dbraw/zinc/58/02/09/938580209.db2.gz FPGIPXVCONPOAZ-UHFFFAOYSA-N 2 0 267.417 1.533 20 30 CDEDRP CCCCCCCCCNC(=S)NCCNCC[NH3+] ZINC001239389547 945438322 /nfs/dbraw/zinc/43/83/22/945438322.db2.gz YQLHJPABFHYDPX-UHFFFAOYSA-N 2 0 288.505 1.749 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159915771 938760042 /nfs/dbraw/zinc/76/00/42/938760042.db2.gz NQSBCOOEVINGPV-DZGCQCFKSA-N 2 0 281.444 1.777 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159931442 938761127 /nfs/dbraw/zinc/76/11/27/938761127.db2.gz CQSRWWPLDMIXNN-AWEZNQCLSA-N 2 0 267.417 1.389 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001160883895 938837423 /nfs/dbraw/zinc/83/74/23/938837423.db2.gz YFEWDEQZORLGQE-LLVKDONJSA-N 2 0 261.797 1.175 20 30 CDEDRP C[C@H]1CC[C@@H](C[NH3+])CN1c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001164456876 939474780 /nfs/dbraw/zinc/47/47/80/939474780.db2.gz UNDRUOQKNURXFQ-STQMWFEESA-N 2 0 299.422 1.553 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001165765065 939577282 /nfs/dbraw/zinc/57/72/82/939577282.db2.gz XOFPMOVEQWHNOY-HNNXBMFYSA-N 2 0 293.455 1.923 20 30 CDEDRP C=CC(NCC1CC[NH+](C(C)C)CC1)=[NH+]COC ZINC001166603983 939618391 /nfs/dbraw/zinc/61/83/91/939618391.db2.gz PIYJKXZCOIXZNW-UHFFFAOYSA-N 2 0 253.390 1.885 20 30 CDEDRP N#Cc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c(F)c1 ZINC001205230121 939839773 /nfs/dbraw/zinc/83/97/73/939839773.db2.gz QOKYSQRJAAYFPW-OAHLLOKOSA-N 2 0 277.343 1.373 20 30 CDEDRP CCc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205736105 939929993 /nfs/dbraw/zinc/92/99/93/939929993.db2.gz VAHCSEZDEAREKD-QGZVFWFLSA-N 2 0 287.407 1.796 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001206288419 940012540 /nfs/dbraw/zinc/01/25/40/940012540.db2.gz QSLKNKYDYUTXKA-UHFFFAOYSA-N 2 0 291.439 1.180 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001206954438 940117364 /nfs/dbraw/zinc/11/73/64/940117364.db2.gz JFWQRNDNFNHASS-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208013678 940278991 /nfs/dbraw/zinc/27/89/91/940278991.db2.gz JAZIVAVBKKXGQV-JKSUJKDBSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001209588313 940613864 /nfs/dbraw/zinc/61/38/64/940613864.db2.gz GOTXQQOPIJKZSV-GJZGRUSLSA-N 2 0 279.428 1.321 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001209614462 940616935 /nfs/dbraw/zinc/61/69/35/940616935.db2.gz PLKOEJMYISMXFV-JKSUJKDBSA-N 2 0 293.455 1.711 20 30 CDEDRP N#Cc1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)ccc1O ZINC001210266772 940677352 /nfs/dbraw/zinc/67/73/52/940677352.db2.gz PIYIFTKCECEGGZ-UHFFFAOYSA-N 2 0 295.346 1.812 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215414324 940884720 /nfs/dbraw/zinc/88/47/20/940884720.db2.gz TZEBFQHGIJDCKT-DGCLKSJQSA-N 2 0 299.846 1.517 20 30 CDEDRP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000402186257 940890724 /nfs/dbraw/zinc/89/07/24/940890724.db2.gz ZSFGXUIOJSABKD-UKRRQHHQSA-N 2 0 259.353 1.262 20 30 CDEDRP C[C@@H]([NH3+])C1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000402250971 940892069 /nfs/dbraw/zinc/89/20/69/940892069.db2.gz IUDMLWDTPQIIOF-WBMJQRKESA-N 2 0 273.380 1.651 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216410257 940937388 /nfs/dbraw/zinc/93/73/88/940937388.db2.gz WSGOQOXRDZCZQU-ZIAGYGMSSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@@H]1COC(C)(C)[NH2+]1 ZINC001217934055 941030295 /nfs/dbraw/zinc/03/02/95/941030295.db2.gz RPQWUJPKGMTUEZ-JHJVBQTASA-N 2 0 254.374 1.424 20 30 CDEDRP N#C[C@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ccccc1 ZINC001219557452 941354921 /nfs/dbraw/zinc/35/49/21/941354921.db2.gz AKBVGAJJWMYYQL-GJZGRUSLSA-N 2 0 298.390 1.242 20 30 CDEDRP N#Cc1cccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222086523 941561455 /nfs/dbraw/zinc/56/14/55/941561455.db2.gz ZUWICWLEKWZTJJ-UHFFFAOYSA-N 2 0 270.380 1.086 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001223472361 941679961 /nfs/dbraw/zinc/67/99/61/941679961.db2.gz OUFKZGFPNJZTGP-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001223722765 941693666 /nfs/dbraw/zinc/69/36/66/941693666.db2.gz VXLQTKKJNKVRGA-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)CC ZINC001227157969 942142636 /nfs/dbraw/zinc/14/26/36/942142636.db2.gz AITHEXDTSGXNPU-ZIAGYGMSSA-N 2 0 281.444 1.920 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001316617375 942660987 /nfs/dbraw/zinc/66/09/87/942660987.db2.gz HAIZEXZISGNWSM-MJBXVCDLSA-N 2 0 267.417 1.243 20 30 CDEDRP C=CC[NH2+]CCN1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235233704 944100993 /nfs/dbraw/zinc/10/09/93/944100993.db2.gz SPDHKGFEOPIWDC-OAHLLOKOSA-N 2 0 251.418 1.616 20 30 CDEDRP C=CC[NH2+]CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001235841083 944292198 /nfs/dbraw/zinc/29/21/98/944292198.db2.gz ULZKKEMQYPQQOE-IRXDYDNUSA-N 2 0 271.408 1.721 20 30 CDEDRP N#Cc1cc(-c2cc(N)cc[nH+]2)cc(C2C[NH2+]C2)c1 ZINC001240335503 945792379 /nfs/dbraw/zinc/79/23/79/945792379.db2.gz DBWSSIWVAVMTFK-UHFFFAOYSA-N 2 0 250.305 1.889 20 30 CDEDRP N#Cc1cc(-c2cc(C3C[NH2+]C3)ncn2)cc(C2C[NH2+]C2)c1 ZINC001240345459 945794981 /nfs/dbraw/zinc/79/49/81/945794981.db2.gz HWCPTEVZFCHEJZ-UHFFFAOYSA-N 2 0 291.358 1.389 20 30 CDEDRP N#CC1(N[C@H]2CCC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC001246316445 948101801 /nfs/dbraw/zinc/10/18/01/948101801.db2.gz RKYKICCFLANNPN-KRWDZBQOSA-N 2 0 298.434 1.886 20 30 CDEDRP C=CCOC(=O)N1CCC(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246466590 948188132 /nfs/dbraw/zinc/18/81/32/948188132.db2.gz PIKUSOGXNDXEOU-DZGCQCFKSA-N 2 0 295.427 1.751 20 30 CDEDRP C=C[C@](C)(O)C[NH2+]C1CC[NH+](CC2CCOCC2)CC1 ZINC001252579250 951471447 /nfs/dbraw/zinc/47/14/47/951471447.db2.gz KSCDTRDFBKXYKZ-INIZCTEOSA-N 2 0 282.428 1.404 20 30 CDEDRP C#CC[NH2+]CC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001341586395 963473400 /nfs/dbraw/zinc/47/34/00/963473400.db2.gz PKMBPDVDGAEYBD-INIZCTEOSA-N 2 0 291.439 1.180 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001341942775 963585427 /nfs/dbraw/zinc/58/54/27/963585427.db2.gz IRYDGDKRAFKFQP-KGLIPLIRSA-N 2 0 285.432 1.169 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001344590475 964373248 /nfs/dbraw/zinc/37/32/48/964373248.db2.gz NCMAXEICDILCEO-LBPRGKRZSA-N 2 0 258.325 1.249 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001444321915 965795767 /nfs/dbraw/zinc/79/57/67/965795767.db2.gz KIOWQUVZKUTUFK-NSHDSACASA-N 2 0 287.835 1.565 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001100419224 968290233 /nfs/dbraw/zinc/29/02/33/968290233.db2.gz RHJMLSQIIZIGEB-GPANFISMSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001100677179 968930922 /nfs/dbraw/zinc/93/09/22/968930922.db2.gz ZSPYWIBKPPTDEI-WLYUNCDWSA-N 2 0 279.428 1.531 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001100678760 968933287 /nfs/dbraw/zinc/93/32/87/968933287.db2.gz VYJMKKMYSDDKBZ-FHERZECASA-N 2 0 293.455 1.779 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001521482420 970302598 /nfs/dbraw/zinc/30/25/98/970302598.db2.gz MFZUYSKJMKKCMF-MJBXVCDLSA-N 2 0 267.417 1.659 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001497955368 973588670 /nfs/dbraw/zinc/58/86/70/973588670.db2.gz ZKTUQMUHKPTPNF-LLVKDONJSA-N 2 0 261.797 1.175 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)CC[N@@H+](C)CC ZINC001374304637 973884593 /nfs/dbraw/zinc/88/45/93/973884593.db2.gz GWUFOJMJUZOAGA-LBPRGKRZSA-N 2 0 275.824 1.517 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)CCc2c[nH]cn2)C1 ZINC001397057179 975450973 /nfs/dbraw/zinc/45/09/73/975450973.db2.gz RPFDMEJUDRNVON-BJHJDKERSA-N 2 0 296.802 1.579 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001393554398 977832489 /nfs/dbraw/zinc/83/24/89/977832489.db2.gz KTDQKTRNJJXICX-UHFFFAOYSA-N 2 0 299.846 1.709 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132250272 1163212703 /nfs/dbraw/zinc/21/27/03/1163212703.db2.gz ZVAMVOWOOFKAEB-CABCVRRESA-N 2 0 279.428 1.321 20 30 CDEDRP C=CCC[N@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132426398 1163282277 /nfs/dbraw/zinc/28/22/77/1163282277.db2.gz WZMOWKBHBHRUBU-HUUCEWRRSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132985482 1163527706 /nfs/dbraw/zinc/52/77/06/1163527706.db2.gz GZZJYLZHTMMRBE-UHFFFAOYSA-N 2 0 265.357 1.237 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001133315642 1163639086 /nfs/dbraw/zinc/63/90/86/1163639086.db2.gz WAYWSDMXKRRUSQ-CVEARBPZSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133419552 1163685192 /nfs/dbraw/zinc/68/51/92/1163685192.db2.gz RTEJXAZUXTUGPP-UONOGXRCSA-N 2 0 269.433 1.633 20 30 CDEDRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC001575452071 1171176388 /nfs/dbraw/zinc/17/63/88/1171176388.db2.gz BWQBXHOSEPYWRE-UONOGXRCSA-N 2 0 267.417 1.736 20 30 CDEDRP CCNC(=[NH2+])NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000264090585 361914504 /nfs/dbraw/zinc/91/45/04/361914504.db2.gz KVKKTGXDUSGFQP-OAHLLOKOSA-N 2 0 274.412 1.965 20 30 CDEDRP C=CCNC(=[NH2+])NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000081781015 342373725 /nfs/dbraw/zinc/37/37/25/342373725.db2.gz DPQWAGVPAREKPJ-CQSZACIVSA-N 2 0 274.412 1.987 20 30 CDEDRP CCC[N@H+](CC)CCNC(=[NH2+])N1CCC(C)CC1 ZINC000081781415 342373774 /nfs/dbraw/zinc/37/37/74/342373774.db2.gz RRTZXAGYLLIVAA-UHFFFAOYSA-N 2 0 254.422 1.765 20 30 CDEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598719850 343883045 /nfs/dbraw/zinc/88/30/45/343883045.db2.gz KAJKELSYPWMAKE-HUUCEWRRSA-N 2 0 281.444 1.997 20 30 CDEDRP CO[C@H]1CN(CCc2ccc(C#N)cc2)[C@@](C)(C[NH3+])C1 ZINC000600888162 349889313 /nfs/dbraw/zinc/88/93/13/349889313.db2.gz ZCMLPFWXNIJSPB-HZPDHXFCSA-N 2 0 273.380 1.539 20 30 CDEDRP N#Cc1cccc(OCCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000610786245 346417449 /nfs/dbraw/zinc/41/74/49/346417449.db2.gz XSVQZSWVULOWCD-HUUCEWRRSA-N 2 0 271.364 1.478 20 30 CDEDRP CCC#C[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000611266432 346728824 /nfs/dbraw/zinc/72/88/24/346728824.db2.gz HAROVBQVQKYGFB-CVEARBPZSA-N 2 0 263.429 1.500 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccco1 ZINC000066244981 348977750 /nfs/dbraw/zinc/97/77/50/348977750.db2.gz OKOZMEIQEWEPRE-NSHDSACASA-N 2 0 250.346 1.168 20 30 CDEDRP CCNC(=[NH2+])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000264069287 362956371 /nfs/dbraw/zinc/95/63/71/362956371.db2.gz CUFRNVSIRJCZRK-UHFFFAOYSA-N 2 0 260.385 1.707 20 30 CDEDRP CC[C@@H](C)NC(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1 ZINC000264102017 362968461 /nfs/dbraw/zinc/96/84/61/362968461.db2.gz MYAUTIQAIVYJEZ-CYBMUJFWSA-N 2 0 292.427 1.830 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000065411681 363199149 /nfs/dbraw/zinc/19/91/49/363199149.db2.gz VMIHHHQRPRVPMS-UHFFFAOYSA-N 2 0 291.439 1.324 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCC1([NH+]2CCSCC2)CCCC1 ZINC000262007361 359122065 /nfs/dbraw/zinc/12/20/65/359122065.db2.gz RZVQYDUNNBBJPQ-UHFFFAOYSA-N 2 0 296.484 1.828 20 30 CDEDRP C[C@@H](CNC(=[NH2+])Nc1ccccn1)[NH+]1CCC(C)CC1 ZINC000170912008 365162999 /nfs/dbraw/zinc/16/29/99/365162999.db2.gz YDCDQBYPYGQFLV-ZDUSSCGKSA-N 2 0 275.400 1.929 20 30 CDEDRP C=CCN(Cc1ccc(OC)cc1)C[C@](C)(O)C[NH2+]C ZINC000573331152 371504695 /nfs/dbraw/zinc/50/46/95/371504695.db2.gz NPRMXFUAGVWCAC-MRXNPFEDSA-N 2 0 278.396 1.654 20 30 CDEDRP CC[N@@H+]1CCC[C@@H](NC(=O)CCc2cncn2C)C1 ZINC000328809994 375959784 /nfs/dbraw/zinc/95/97/84/375959784.db2.gz FBUIHDRUAYUBFQ-GFCCVEGCSA-N 2 0 264.373 1.794 20 30 CDEDRP C=CC[N@H+](CCN1CC[NH2+]CC1)Cc1cccs1 ZINC000420326467 376339035 /nfs/dbraw/zinc/33/90/35/376339035.db2.gz XLQRLBVITQQAFH-UHFFFAOYSA-N 2 0 265.426 1.641 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@H](C)[NH3+])CC1 ZINC000417546414 377933579 /nfs/dbraw/zinc/93/35/79/377933579.db2.gz ZNKSLAUAFJQDBJ-LBPRGKRZSA-N 2 0 268.405 1.063 20 30 CDEDRP C=C(C)C[NH+]1CCC(N[C@@H]2C[N@H+](CC)C[C@@H]2C)CC1 ZINC000344259420 379376992 /nfs/dbraw/zinc/37/69/92/379376992.db2.gz MUILJJUCVIFETC-GOEBONIOSA-N 2 0 265.445 1.957 20 30 CDEDRP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001662966343 1172622374 /nfs/dbraw/zinc/62/23/74/1172622374.db2.gz UQOUPXSSQVRLRJ-IHRRRGAJSA-N 2 0 267.417 1.387 20 30 CDEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000262260755 391066909 /nfs/dbraw/zinc/06/69/09/391066909.db2.gz GFVFVSVDGLMZFB-SECBINFHSA-N 2 0 268.311 1.643 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[NH2+]C1)C(C)C ZINC000417058385 391341472 /nfs/dbraw/zinc/34/14/72/391341472.db2.gz FOILLPQGPIWOAI-LSDHHAIUSA-N 2 0 294.443 1.346 20 30 CDEDRP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N(C)Cc1ccon1 ZINC000261811543 391708036 /nfs/dbraw/zinc/70/80/36/391708036.db2.gz SPEAWWQDBAUMIM-UHFFFAOYSA-N 2 0 293.415 1.556 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C(C)C ZINC000649297070 391924695 /nfs/dbraw/zinc/92/46/95/391924695.db2.gz DRQGJXMMEMZMCR-LVQVYYBASA-N 2 0 291.439 1.552 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)C(C)C ZINC000662681932 413302739 /nfs/dbraw/zinc/30/27/39/413302739.db2.gz NTSDHKWFLUNXPD-KKUMJFAQSA-N 2 0 279.428 1.539 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659450252 413835402 /nfs/dbraw/zinc/83/54/02/413835402.db2.gz IYCJFSRGVUDIAK-UHFFFAOYSA-N 2 0 280.416 1.208 20 30 CDEDRP C[NH+](C)CCC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000346849713 225942617 /nfs/dbraw/zinc/94/26/17/225942617.db2.gz RBGNYPZPTPAPAM-UHFFFAOYSA-N 2 0 292.427 1.213 20 30 CDEDRP N#C[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000192838430 227302050 /nfs/dbraw/zinc/30/20/50/227302050.db2.gz RZYNEZRZHNIBJO-CABCVRRESA-N 2 0 265.401 1.363 20 30 CDEDRP C=CCOCCC[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000451978664 263017717 /nfs/dbraw/zinc/01/77/17/263017717.db2.gz FWMYTGPOIPDAMZ-UHFFFAOYSA-N 2 0 283.460 1.585 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)/C=C/C[NH+](C)C)C(C)C ZINC000265602898 277847159 /nfs/dbraw/zinc/84/71/59/277847159.db2.gz AHJNRTNUSCDEAC-SCOAYWHSSA-N 2 0 293.455 1.919 20 30 CDEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)cc1 ZINC000106485237 278260839 /nfs/dbraw/zinc/26/08/39/278260839.db2.gz JKINLMGYXSGXPE-AWEZNQCLSA-N 2 0 272.396 1.284 20 30 CDEDRP C=CCCCCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000226438513 1159095222 /nfs/dbraw/zinc/09/52/22/1159095222.db2.gz MVSWULHZEUAEJW-UHFFFAOYSA-N 2 0 253.390 1.096 20 30 CDEDRP C[C@@H]1C[NH+]=C(NC[C@H]2CCC[N@@H+]2CC2CCCCC2)N1 ZINC000262634670 330023700 /nfs/dbraw/zinc/02/37/00/330023700.db2.gz GLWCOJMDYXVKDF-UKRRQHHQSA-N 2 0 278.444 1.968 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC=CO1 ZINC000262762816 330029891 /nfs/dbraw/zinc/02/98/91/330029891.db2.gz FZYDYZXHMVAFHK-QWHCGFSZSA-N 2 0 266.389 1.068 20 30 CDEDRP C[NH+]=C(NCC1(O)CCCC1)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000262810385 330033207 /nfs/dbraw/zinc/03/32/07/330033207.db2.gz UYEMGXWXJKEXJW-CHWSQXEVSA-N 2 0 294.443 1.082 20 30 CDEDRP C=CC[C@H](CO)C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423014525 330165254 /nfs/dbraw/zinc/16/52/54/330165254.db2.gz INKBBMKFSAULPX-VNQPRFMTSA-N 2 0 262.397 1.719 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423152518 330173065 /nfs/dbraw/zinc/17/30/65/330173065.db2.gz LRGUCROWKIMKAL-ZDUSSCGKSA-N 2 0 268.401 1.864 20 30 CDEDRP C=CCC[C@@H](CC)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000423446452 330202344 /nfs/dbraw/zinc/20/23/44/330202344.db2.gz CQLATHABSZWTCV-INMHGKMJSA-N 2 0 293.455 1.968 20 30 CDEDRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424138021 330274891 /nfs/dbraw/zinc/27/48/91/330274891.db2.gz CSGQVOYXVFFKDT-ZIAGYGMSSA-N 2 0 280.416 1.102 20 30 CDEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442842844 330786313 /nfs/dbraw/zinc/78/63/13/330786313.db2.gz JAKICJOCVAFBFH-RBSFLKMASA-N 2 0 264.417 1.294 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)c1ccccc1C[NH+](C)C ZINC000491231067 332170683 /nfs/dbraw/zinc/17/06/83/332170683.db2.gz QBHQIVMFAKYYKN-UHFFFAOYSA-N 2 0 287.407 1.433 20 30 CDEDRP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000491789032 332351276 /nfs/dbraw/zinc/35/12/76/332351276.db2.gz YFOFGAMNNGVCMF-HNNXBMFYSA-N 2 0 294.443 1.115 20 30 CDEDRP CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000174959424 333011885 /nfs/dbraw/zinc/01/18/85/333011885.db2.gz WYFOESYYPKLPLJ-GJZGRUSLSA-N 2 0 294.443 1.411 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)CC(C)(C)CCC#N ZINC000568814832 334842079 /nfs/dbraw/zinc/84/20/79/334842079.db2.gz WLDWLXFXTYFAEA-UHFFFAOYSA-N 2 0 268.449 1.742 20 30 CDEDRP C#CC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001753712744 1159891768 /nfs/dbraw/zinc/89/17/68/1159891768.db2.gz QRNOPRYVPUNAJR-ZDUSSCGKSA-N 2 0 267.417 1.034 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417519785 482593087 /nfs/dbraw/zinc/59/30/87/482593087.db2.gz AXZKPLYFSSBZIO-OCCSQVGLSA-N 2 0 280.416 1.206 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001113257669 1162139674 /nfs/dbraw/zinc/13/96/74/1162139674.db2.gz FILQBOOEPWHJFW-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP C[NH+]1CCN(c2ccc(C=[NH+]N3CCOCC3)cc2)CC1 ZINC000771551498 575589360 /nfs/dbraw/zinc/58/93/60/575589360.db2.gz BWFVJFIQEUUBRB-UHFFFAOYSA-N 2 0 288.395 1.105 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000764609945 575925870 /nfs/dbraw/zinc/92/58/70/575925870.db2.gz SAUSNIROLJYBOL-UHFFFAOYSA-N 2 0 295.452 1.756 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000763920487 576765263 /nfs/dbraw/zinc/76/52/63/576765263.db2.gz ASWZRTBGFDXQHM-HNNXBMFYSA-N 2 0 275.396 1.523 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000763971857 576769443 /nfs/dbraw/zinc/76/94/43/576769443.db2.gz KWOKDESNBHKXDW-OAHLLOKOSA-N 2 0 293.386 1.662 20 30 CDEDRP C#CCC[NH+]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975045026 613036962 /nfs/dbraw/zinc/03/69/62/613036962.db2.gz YHZFLBRHBGPEMD-GJZGRUSLSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000971871762 613087053 /nfs/dbraw/zinc/08/70/53/613087053.db2.gz JGJXFPSLIRKBOB-CQSZACIVSA-N 2 0 282.347 1.114 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947778406 613258569 /nfs/dbraw/zinc/25/85/69/613258569.db2.gz CJMRBBATAXRJPW-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000980484339 613285380 /nfs/dbraw/zinc/28/53/80/613285380.db2.gz YLKWHWOKTVLSEA-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC000971715347 613288412 /nfs/dbraw/zinc/28/84/12/613288412.db2.gz GDHOLBGYKAZPIS-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000970788592 613384659 /nfs/dbraw/zinc/38/46/59/613384659.db2.gz PZRQTWJBMSAHEO-CQSZACIVSA-N 2 0 299.846 1.805 20 30 CDEDRP C=CC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000982150533 613678364 /nfs/dbraw/zinc/67/83/64/613678364.db2.gz JSWTWWOMNLQJRD-UHFFFAOYSA-N 2 0 277.412 1.193 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974588131 613809529 /nfs/dbraw/zinc/80/95/29/613809529.db2.gz OEETXASKFXEUCB-LSDHHAIUSA-N 2 0 291.439 1.341 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000891921280 617775420 /nfs/dbraw/zinc/77/54/20/617775420.db2.gz LWLZXBYZWHPBPA-UHFFFAOYSA-N 2 0 294.443 1.245 20 30 CDEDRP CC#CC[C@@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC001574973225 1171071017 /nfs/dbraw/zinc/07/10/17/1171071017.db2.gz ULAYFJFYBJXFJP-CQSZACIVSA-N 2 0 279.428 1.498 20 30 CDEDRP CC#CC[C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001574972229 1171071686 /nfs/dbraw/zinc/07/16/86/1171071686.db2.gz KYXCDXZUIQRHIJ-ZNMIVQPWSA-N 2 0 293.455 1.600 20 30 CDEDRP N#CC1(C[C@H](O)CN[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC001580038728 1172330452 /nfs/dbraw/zinc/33/04/52/1172330452.db2.gz RDXXMYDAIMVNBZ-GVDBMIGSSA-N 2 0 299.418 1.776 20 30 CDEDRP C=CC[N@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001713548996 1178639851 /nfs/dbraw/zinc/63/98/51/1178639851.db2.gz CYEGZVQDQJDFAP-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001752155594 1184826236 /nfs/dbraw/zinc/82/62/36/1184826236.db2.gz FQRDKRGWGNTXAX-LSDHHAIUSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CCCC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001752854953 1184933884 /nfs/dbraw/zinc/93/38/84/1184933884.db2.gz COKMHXQFDHBSRQ-QQFBHYJXSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[N@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001753142474 1185083177 /nfs/dbraw/zinc/08/31/77/1185083177.db2.gz CYEGZVQDQJDFAP-ZDUSSCGKSA-N 2 0 253.390 1.095 20 30 CDEDRP C=CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001753154632 1185090394 /nfs/dbraw/zinc/09/03/94/1185090394.db2.gz KTIPKSSWRSRPQF-HNNXBMFYSA-N 2 0 277.412 1.095 20 30 CDEDRP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001753731794 1185321098 /nfs/dbraw/zinc/32/10/98/1185321098.db2.gz AORLYLOKKRVEID-CABCVRRESA-N 2 0 279.428 1.224 20 30 CDEDRP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001753794054 1185337751 /nfs/dbraw/zinc/33/77/51/1185337751.db2.gz JXIQMVHMJOJOOZ-CABCVRRESA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CC)C(C)C)CC1 ZINC001753845589 1185355641 /nfs/dbraw/zinc/35/56/41/1185355641.db2.gz MXQLAYOHYMGVTC-OAHLLOKOSA-N 2 0 279.428 1.082 20 30 CDEDRP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001754000119 1185422987 /nfs/dbraw/zinc/42/29/87/1185422987.db2.gz UHWWYGBGNNSRMV-HUUCEWRRSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001754348032 1185590978 /nfs/dbraw/zinc/59/09/78/1185590978.db2.gz DKTMXVONYLOGKJ-GJZGRUSLSA-N 2 0 291.439 1.226 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001754821400 1185740711 /nfs/dbraw/zinc/74/07/11/1185740711.db2.gz QRMBLSKSTAUSBO-CABCVRRESA-N 2 0 291.439 1.036 20 30 CDEDRP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001755241789 1185872629 /nfs/dbraw/zinc/87/26/29/1185872629.db2.gz HVCAJDAKGSSFPG-OLZOCXBDSA-N 2 0 298.390 1.762 20 30 CDEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001755386849 1185937307 /nfs/dbraw/zinc/93/73/07/1185937307.db2.gz WFZWVUDEDSBJRE-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001755526441 1185980285 /nfs/dbraw/zinc/98/02/85/1185980285.db2.gz IHHWZABUDWPZST-HOTGVXAUSA-N 2 0 293.455 1.615 20 30 CDEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001755573161 1185994623 /nfs/dbraw/zinc/99/46/23/1185994623.db2.gz NPTOLUZBTDNSJK-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001755679920 1186035498 /nfs/dbraw/zinc/03/54/98/1186035498.db2.gz ATJDOBVKPMTYHR-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001755724778 1186047867 /nfs/dbraw/zinc/04/78/67/1186047867.db2.gz XZJJQAAOCSIVBS-OLZOCXBDSA-N 2 0 253.390 1.093 20 30 CDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc3c(c1)C[NH2+]C3)C2 ZINC000884299548 751355766 /nfs/dbraw/zinc/35/57/66/751355766.db2.gz XCINUOYINPVIBS-XOYHFGRZSA-N 2 0 296.374 1.368 20 30 CDEDRP C[NH+]=C(NCC[N@@H+]1CC[C@H](C)C1)NCc1ccco1 ZINC000849004912 751359973 /nfs/dbraw/zinc/35/99/73/751359973.db2.gz HVSWPXHXKJVCEJ-LBPRGKRZSA-N 2 0 264.373 1.286 20 30 CDEDRP C[NH+]1CCC(CNC(=[NH2+])N2CCCCCC2)CC1 ZINC000305046765 751376532 /nfs/dbraw/zinc/37/65/32/751376532.db2.gz FUJHRXPOBOEPSP-UHFFFAOYSA-N 2 0 252.406 1.519 20 30 CDEDRP C#CC[NH2+]C1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001026560848 751464463 /nfs/dbraw/zinc/46/44/63/751464463.db2.gz GXCCUPNKOQLULU-WLYUNCDWSA-N 2 0 277.412 1.121 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052531728 751526554 /nfs/dbraw/zinc/52/65/54/751526554.db2.gz MXXXWQUCYLSLEP-OAHLLOKOSA-N 2 0 296.374 1.552 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001028317280 751669874 /nfs/dbraw/zinc/66/98/74/751669874.db2.gz ZMDWWYZMHYRIDV-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2 ZINC001035196864 751671650 /nfs/dbraw/zinc/67/16/50/751671650.db2.gz FIEIRFFSVLXDRA-OAHLLOKOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC000989393320 751891231 /nfs/dbraw/zinc/89/12/31/751891231.db2.gz ZNODSINLXNKRAC-GXTWGEPZSA-N 2 0 265.401 1.093 20 30 CDEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCN3C)CCC[C@H]12 ZINC000990024788 751898949 /nfs/dbraw/zinc/89/89/49/751898949.db2.gz FLNNYASDELSCIE-HLLBOEOZSA-N 2 0 289.423 1.217 20 30 CDEDRP C=C(C)CN1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001039050672 752100394 /nfs/dbraw/zinc/10/03/94/752100394.db2.gz OZXIDOUKDJILGQ-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCCCCC[NH+]2CCCCC2)N1 ZINC000849007813 749435728 /nfs/dbraw/zinc/43/57/28/749435728.db2.gz USWAEOTZMCJABF-CYBMUJFWSA-N 2 0 252.406 1.580 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001018269187 749516266 /nfs/dbraw/zinc/51/62/66/749516266.db2.gz DJJLDWJFHRPEKK-IYBDPMFKSA-N 2 0 291.439 1.724 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001015704795 749540059 /nfs/dbraw/zinc/54/00/59/749540059.db2.gz FPKYWRSONAAMFW-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001036054219 749540248 /nfs/dbraw/zinc/54/02/48/749540248.db2.gz JXPIUDPCEQJUAK-ZFWWWQNUSA-N 2 0 279.428 1.483 20 30 CDEDRP C#C[C@@](C)(CC)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000852103100 749549118 /nfs/dbraw/zinc/54/91/18/749549118.db2.gz XOTHHSHAVGFHRQ-INIZCTEOSA-N 2 0 279.428 1.367 20 30 CDEDRP C[N@@H+]1CC[C@@H]2C[NH+](CCc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000931441864 749652297 /nfs/dbraw/zinc/65/22/97/749652297.db2.gz OVKMAMRZPLLJIX-SJORKVTESA-N 2 0 269.392 1.984 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001028445727 749654036 /nfs/dbraw/zinc/65/40/36/749654036.db2.gz UKHYJKJPGWUZMS-UONOGXRCSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000989634489 749702453 /nfs/dbraw/zinc/70/24/53/749702453.db2.gz DWFMVLKYBJSUFX-GDBMZVCRSA-N 2 0 291.439 1.319 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000104160963 749800100 /nfs/dbraw/zinc/80/01/00/749800100.db2.gz LTWHKXGRXUQWTK-CHWSQXEVSA-N 2 0 270.421 1.046 20 30 CDEDRP CC(C)[C@@H](CNC(=[NH2+])N1CCCCC1)[NH+]1CCCC1 ZINC000303785173 749831137 /nfs/dbraw/zinc/83/11/37/749831137.db2.gz QBWVPGWBPTZAOV-CQSZACIVSA-N 2 0 266.433 1.907 20 30 CDEDRP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001023762239 749835425 /nfs/dbraw/zinc/83/54/25/749835425.db2.gz UXQZFCIIXZEWQJ-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046197067 749870497 /nfs/dbraw/zinc/87/04/97/749870497.db2.gz IGULMZKNTLEPEB-HIFRSBDPSA-N 2 0 265.401 1.237 20 30 CDEDRP C[NH+]=C(NCC1CC1)NCC1([NH+](C)C)CCCCC1 ZINC000080511987 750016123 /nfs/dbraw/zinc/01/61/23/750016123.db2.gz RTANDNLEOYMUBT-UHFFFAOYSA-N 2 0 266.433 1.826 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995825903 750021394 /nfs/dbraw/zinc/02/13/94/750021394.db2.gz UDNOFTIKCUFITI-CABCVRRESA-N 2 0 291.439 1.341 20 30 CDEDRP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001038338729 750163927 /nfs/dbraw/zinc/16/39/27/750163927.db2.gz ASQGNJRTAVMHJY-CVEARBPZSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001040745209 750185992 /nfs/dbraw/zinc/18/59/92/750185992.db2.gz JEHUSMUFYPXBLU-OAHLLOKOSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC000989393431 750230729 /nfs/dbraw/zinc/23/07/29/750230729.db2.gz ZVKNNAUTAFFHRL-GXTWGEPZSA-N 2 0 299.846 1.660 20 30 CDEDRP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845081 750316403 /nfs/dbraw/zinc/31/64/03/750316403.db2.gz FMGWVPLCLUJYGJ-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000999598460 750387102 /nfs/dbraw/zinc/38/71/02/750387102.db2.gz NLLGSNRWOQDJOO-UHFFFAOYSA-N 2 0 293.455 1.873 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NCC[C@H](C)[NH+]1CCCCC1 ZINC000305816412 750561107 /nfs/dbraw/zinc/56/11/07/750561107.db2.gz MLBFGGUCMUBXSX-OLZOCXBDSA-N 2 0 270.421 1.190 20 30 CDEDRP C#CC[C@H](CO)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000717827367 750625977 /nfs/dbraw/zinc/62/59/77/750625977.db2.gz BJLWOHGEIVTIKC-QGZVFWFLSA-N 2 0 272.392 1.625 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C ZINC001049369364 750678825 /nfs/dbraw/zinc/67/88/25/750678825.db2.gz NNDNGDAYDPUCKS-XHSDSOJGSA-N 2 0 289.423 1.169 20 30 CDEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996982033 750800562 /nfs/dbraw/zinc/80/05/62/750800562.db2.gz ZRXHQAIQUUTKHV-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCN3C)CCC[C@@H]12 ZINC000990013333 750824582 /nfs/dbraw/zinc/82/45/82/750824582.db2.gz ICCDNRBFUILLIL-BFYDXBDKSA-N 2 0 291.439 1.770 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000987257386 750852673 /nfs/dbraw/zinc/85/26/73/750852673.db2.gz WJOCXYNIXMNBAM-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@H+]1C[C@H](NC(=O)Cn2cncc2C)CC[C@@H]1C ZINC001071689779 750855564 /nfs/dbraw/zinc/85/55/64/750855564.db2.gz PTIYZZOWIBMVHW-DZGCQCFKSA-N 2 0 290.411 1.737 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001072826196 750859116 /nfs/dbraw/zinc/85/91/16/750859116.db2.gz MDAHUSMBHYPWNF-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014698594 750864918 /nfs/dbraw/zinc/86/49/18/750864918.db2.gz AFFTZECNVDCPAE-CVEARBPZSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cnc[nH]3)CC[C@H]21 ZINC001036830473 750867271 /nfs/dbraw/zinc/86/72/71/750867271.db2.gz VXYBVPQGKZWRRB-UKRRQHHQSA-N 2 0 288.395 1.451 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015999398 750888645 /nfs/dbraw/zinc/88/86/45/750888645.db2.gz VBRCWEVWNDYEEE-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001008532440 751032471 /nfs/dbraw/zinc/03/24/71/751032471.db2.gz NRIFEBDDKPNDAM-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCCC ZINC001038369395 751088406 /nfs/dbraw/zinc/08/84/06/751088406.db2.gz VHZCICOMVLPHNK-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001007368213 751177975 /nfs/dbraw/zinc/17/79/75/751177975.db2.gz NCOLEIGJEFPUJH-MGPQQGTHSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035258328 751261793 /nfs/dbraw/zinc/26/17/93/751261793.db2.gz LZSILQGXXQWTBZ-HNNXBMFYSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001022975149 752647670 /nfs/dbraw/zinc/64/76/70/752647670.db2.gz GLWJKHRQBRRVIV-BYNSBNAKSA-N 2 0 279.428 1.530 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001036192167 752743078 /nfs/dbraw/zinc/74/30/78/752743078.db2.gz IXSHMUZWDMDZRY-GJZGRUSLSA-N 2 0 293.455 1.731 20 30 CDEDRP C[C@@H]1C(N=NC(N)=[NH2+])CCC[N@@H+]1Cc1ccccc1 ZINC000814796605 752752120 /nfs/dbraw/zinc/75/21/20/752752120.db2.gz IFHXBGMUENYRAS-LLVKDONJSA-N 2 0 259.357 1.510 20 30 CDEDRP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024634799 752823184 /nfs/dbraw/zinc/82/31/84/752823184.db2.gz YMCNWUWSDBRIFP-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033938124 752830409 /nfs/dbraw/zinc/83/04/09/752830409.db2.gz SMTKHOITHQWTGA-HRCADAONSA-N 2 0 291.439 1.273 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032128786 753025703 /nfs/dbraw/zinc/02/57/03/753025703.db2.gz KBSXHNJDVIZKKZ-HZPDHXFCSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000849025540 753052633 /nfs/dbraw/zinc/05/26/33/753052633.db2.gz MMLDVFMWYGWHEF-KFWWJZLASA-N 2 0 294.443 1.566 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001020239183 753116947 /nfs/dbraw/zinc/11/69/47/753116947.db2.gz RJKWSLDPDITOLF-DZKIICNBSA-N 2 0 289.423 1.263 20 30 CDEDRP C=CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000985459657 753151930 /nfs/dbraw/zinc/15/19/30/753151930.db2.gz LUKJDIRVUNXJLC-MRXNPFEDSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001049994333 753200028 /nfs/dbraw/zinc/20/00/28/753200028.db2.gz IEMZIIPIUFYUHK-RRFJBIMHSA-N 2 0 277.412 1.189 20 30 CDEDRP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001024365835 753229018 /nfs/dbraw/zinc/22/90/18/753229018.db2.gz ITBWWQUAPWDRJB-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP N#Cc1ccc([C@H](O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000923357469 753234163 /nfs/dbraw/zinc/23/41/63/753234163.db2.gz OAWROQUUIQZSES-ZWKOTPCHSA-N 2 0 299.418 1.913 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052936748 753269964 /nfs/dbraw/zinc/26/99/64/753269964.db2.gz DOYDECWOMUNXQA-OAHLLOKOSA-N 2 0 277.412 1.076 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071997340 753365329 /nfs/dbraw/zinc/36/53/29/753365329.db2.gz YQPQDUVDRYHZGE-GJZGRUSLSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CC[N@H+](C)CCCNc1nccc(N2CCCC2)n1 ZINC000814929601 753380513 /nfs/dbraw/zinc/38/05/13/753380513.db2.gz MSEUJJJNZXJBPH-UHFFFAOYSA-N 2 0 273.384 1.444 20 30 CDEDRP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000924753301 753398852 /nfs/dbraw/zinc/39/88/52/753398852.db2.gz CWPIOHYYISPUMA-CHWSQXEVSA-N 2 0 253.390 1.361 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001055016214 753406065 /nfs/dbraw/zinc/40/60/65/753406065.db2.gz XKBLQDQGDIIURF-TZMCWYRMSA-N 2 0 291.395 1.577 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001054862387 753484652 /nfs/dbraw/zinc/48/46/52/753484652.db2.gz CUFDAIYKQJOBQA-SWLSCSKDSA-N 2 0 282.347 1.018 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001023446581 753509313 /nfs/dbraw/zinc/50/93/13/753509313.db2.gz SNEPFOYYQBAVRC-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997391053 753514432 /nfs/dbraw/zinc/51/44/32/753514432.db2.gz UCDNXRTXAUSJPS-CQSZACIVSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001049527065 753569983 /nfs/dbraw/zinc/56/99/83/753569983.db2.gz ZSOWDKOXBDWIPG-OAGGEKHMSA-N 2 0 291.439 1.578 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001032412365 753791798 /nfs/dbraw/zinc/79/17/98/753791798.db2.gz VBEHRNIMEZDZNE-YHUYYLMFSA-N 2 0 291.439 1.578 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001026148370 753808766 /nfs/dbraw/zinc/80/87/66/753808766.db2.gz CJBBUOASERWUTF-NBFUAULTSA-N 2 0 291.439 1.482 20 30 CDEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001566689183 1168389014 /nfs/dbraw/zinc/38/90/14/1168389014.db2.gz IRDDBHMLQLDYMQ-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001089038565 912517788 /nfs/dbraw/zinc/51/77/88/912517788.db2.gz CFLZMINTVBIWFQ-RDBSUJKOSA-N 2 0 265.401 1.093 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209323335 894600351 /nfs/dbraw/zinc/60/03/51/894600351.db2.gz HUOCULLNDRIFQW-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001167224881 894902120 /nfs/dbraw/zinc/90/21/20/894902120.db2.gz LXEVDYJQLSHOJT-OAHLLOKOSA-N 2 0 291.439 1.370 20 30 CDEDRP C[C@@H](CC#N)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397588601 895215315 /nfs/dbraw/zinc/21/53/15/895215315.db2.gz IHLVBRMQEGSNBP-HNNXBMFYSA-N 2 0 287.407 1.905 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001167608172 897011265 /nfs/dbraw/zinc/01/12/65/897011265.db2.gz BSASJXJUHSIWFK-OAHLLOKOSA-N 2 0 279.428 1.370 20 30 CDEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001104690688 898889516 /nfs/dbraw/zinc/88/95/16/898889516.db2.gz IWNFXGBWOQDWCM-OAGGEKHMSA-N 2 0 293.455 1.424 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001027440766 900499179 /nfs/dbraw/zinc/49/91/79/900499179.db2.gz KJVSQQXMIVORIO-OAHLLOKOSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001028093927 901319249 /nfs/dbraw/zinc/31/92/49/901319249.db2.gz RSEIPUYUFGKWLG-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001223597034 901748500 /nfs/dbraw/zinc/74/85/00/901748500.db2.gz HHHFGATYNOCJRO-OAHLLOKOSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1CC ZINC001087577759 905702533 /nfs/dbraw/zinc/70/25/33/905702533.db2.gz HYIHTDUZOQXJIS-APIJFGDWSA-N 2 0 279.428 1.482 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203699456 921368281 /nfs/dbraw/zinc/36/82/81/921368281.db2.gz MIUVNKOMCIBFDK-ZDUSSCGKSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCN1CCC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1=O ZINC001172114246 911286005 /nfs/dbraw/zinc/28/60/05/911286005.db2.gz MMICWSVZYDMOTR-FZKCQIBNSA-N 2 0 291.439 1.768 20 30 CDEDRP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172319957 911563972 /nfs/dbraw/zinc/56/39/72/911563972.db2.gz SKKZMHKOTRSEEO-XYPHTWIQSA-N 2 0 269.392 1.983 20 30 CDEDRP C=C(C)CN1CC[C@]2(CCC[N@@H+]2CC2CC[NH2+]CC2)C1=O ZINC001273029413 921677187 /nfs/dbraw/zinc/67/71/87/921677187.db2.gz CEIAPJXUQGUEID-QGZVFWFLSA-N 2 0 291.439 1.629 20 30 CDEDRP CC[NH+](CC)C1CCC([NH2+][C@@H]2C(=O)N(O)C[C@@H]2C)CC1 ZINC001173107739 912168040 /nfs/dbraw/zinc/16/80/40/912168040.db2.gz KRSCYYXSXOZDGN-ABXWRUBCSA-N 2 0 283.416 1.465 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001178716686 915607293 /nfs/dbraw/zinc/60/72/93/915607293.db2.gz SNJJOXRYBPEAHE-IMJJTQAJSA-N 2 0 291.439 1.483 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001179554303 915883999 /nfs/dbraw/zinc/88/39/99/915883999.db2.gz ZUZACUGKTDSHJA-KKUMJFAQSA-N 2 0 281.444 1.872 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001179586544 915887196 /nfs/dbraw/zinc/88/71/96/915887196.db2.gz PZBAYYHJERACNS-GJZGRUSLSA-N 2 0 281.444 1.636 20 30 CDEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107582369 918465713 /nfs/dbraw/zinc/46/57/13/918465713.db2.gz AKOUYPKYTRSMQG-NVXWUHKLSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183435936 918499039 /nfs/dbraw/zinc/49/90/39/918499039.db2.gz IJPRWIVVJPZVEC-CABCVRRESA-N 2 0 281.444 1.729 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001183576088 918547075 /nfs/dbraw/zinc/54/70/75/918547075.db2.gz BOOUCFOQAWVBBQ-OAHLLOKOSA-N 2 0 289.423 1.076 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001183772427 918661852 /nfs/dbraw/zinc/66/18/52/918661852.db2.gz HIKMDALTDYHBFO-GFCCVEGCSA-N 2 0 253.390 1.093 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001184806733 919265854 /nfs/dbraw/zinc/26/58/54/919265854.db2.gz FNQTXPJHZMROAQ-CQSZACIVSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001185090865 919399896 /nfs/dbraw/zinc/39/98/96/919399896.db2.gz PHYYFPVDQISPJU-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001185445721 919598138 /nfs/dbraw/zinc/59/81/38/919598138.db2.gz HVNSMYHDALKZIM-LSDHHAIUSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000999307221 919733226 /nfs/dbraw/zinc/73/32/26/919733226.db2.gz MVOXDLLOFZIPRK-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001187328430 920471997 /nfs/dbraw/zinc/47/19/97/920471997.db2.gz GFIXZPLXNRZFGI-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071822030 936692889 /nfs/dbraw/zinc/69/28/89/936692889.db2.gz UTUFFHLVAGYOOH-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001128533061 921980715 /nfs/dbraw/zinc/98/07/15/921980715.db2.gz FTKHOXLADINGHN-CYBMUJFWSA-N 2 0 273.396 1.338 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033531908 922253285 /nfs/dbraw/zinc/25/32/85/922253285.db2.gz ONYUDDSJNJQOQP-MRXNPFEDSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001099159339 936781357 /nfs/dbraw/zinc/78/13/57/936781357.db2.gz DDBWQYPBXQFMDW-DZKIICNBSA-N 2 0 277.412 1.095 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001192318124 923002834 /nfs/dbraw/zinc/00/28/34/923002834.db2.gz WJKQRMYSOGFLLV-GJZGRUSLSA-N 2 0 279.428 1.273 20 30 CDEDRP C=C(C[NH+]1CCCCC1)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001273146566 923352098 /nfs/dbraw/zinc/35/20/98/923352098.db2.gz PDZJRHZTWQXZTC-LSDHHAIUSA-N 2 0 277.412 1.191 20 30 CDEDRP C[C@@H]1CC[N@H+](Cc2ccnc(C#N)c2)CC[C@@H]1C[NH3+] ZINC001205651364 924056171 /nfs/dbraw/zinc/05/61/71/924056171.db2.gz CZCRKCBCYIHUCQ-TZMCWYRMSA-N 2 0 258.369 1.760 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194229380 924107096 /nfs/dbraw/zinc/10/70/96/924107096.db2.gz WVZYHYHQICKMML-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001080017905 924467125 /nfs/dbraw/zinc/46/71/25/924467125.db2.gz YXHCUIZFGUXRAL-OAGGEKHMSA-N 2 0 291.439 1.177 20 30 CDEDRP C=CCOc1cccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205690260 924496194 /nfs/dbraw/zinc/49/61/94/924496194.db2.gz VCHGVGOCCQSODF-QGZVFWFLSA-N 2 0 290.407 1.927 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001101024640 936952631 /nfs/dbraw/zinc/95/26/31/936952631.db2.gz AQYLJTSDEYYXOF-UHFFFAOYSA-N 2 0 291.439 1.370 20 30 CDEDRP C=CCOCC[N@H+]1CCCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001197171968 925082621 /nfs/dbraw/zinc/08/26/21/925082621.db2.gz FJZROLWSKKRLOL-HNNXBMFYSA-N 2 0 297.443 1.064 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001084639508 925312807 /nfs/dbraw/zinc/31/28/07/925312807.db2.gz VSKJVYWTBWOAQC-RBSFLKMASA-N 2 0 279.428 1.291 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001410392793 925595471 /nfs/dbraw/zinc/59/54/71/925595471.db2.gz XQULGBOUFDVJBD-OLZOCXBDSA-N 2 0 289.851 1.762 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001201067053 926188550 /nfs/dbraw/zinc/18/85/50/926188550.db2.gz WAABFRVLFNBQQG-UHFFFAOYSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001086180104 926795839 /nfs/dbraw/zinc/79/58/39/926795839.db2.gz AIZMRVHSXHLBTB-XBXGTLAGSA-N 2 0 291.395 1.625 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103379004 937138236 /nfs/dbraw/zinc/13/82/36/937138236.db2.gz VIALTPBXGJUGRY-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169531207 928152345 /nfs/dbraw/zinc/15/23/45/928152345.db2.gz MZJYYLRIMJMYFP-UHFFFAOYSA-N 2 0 297.443 1.159 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC001252481682 928615519 /nfs/dbraw/zinc/61/55/19/928615519.db2.gz FQXHHONUVISVST-OAHLLOKOSA-N 2 0 270.417 1.262 20 30 CDEDRP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CC)C2 ZINC001108791120 928635305 /nfs/dbraw/zinc/63/53/05/928635305.db2.gz OZYKLIGDXKTCCG-XHSDSOJGSA-N 2 0 291.439 1.321 20 30 CDEDRP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C(C)C)C2 ZINC001108830538 928655450 /nfs/dbraw/zinc/65/54/50/928655450.db2.gz PBHVSDVBEXAJLD-JYJNAYRXSA-N 2 0 291.439 1.319 20 30 CDEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001110021588 929105270 /nfs/dbraw/zinc/10/52/70/929105270.db2.gz FZPUYLYYQBUIDW-ILXRZTDVSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001112866181 929511512 /nfs/dbraw/zinc/51/15/12/929511512.db2.gz SLLSNSLIUFLGGX-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH2+]CCNC(=O)c1ccccc1C[NH+](C)C ZINC001152393616 937358514 /nfs/dbraw/zinc/35/85/14/937358514.db2.gz RKTTVJUTIGYAOZ-UHFFFAOYSA-N 2 0 261.369 1.254 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001152446083 937362304 /nfs/dbraw/zinc/36/23/04/937362304.db2.gz STYOOAFTGISXGX-LBPRGKRZSA-N 2 0 273.808 1.319 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134759555 929887502 /nfs/dbraw/zinc/88/75/02/929887502.db2.gz SPMPSALCOUMRQP-OAHLLOKOSA-N 2 0 281.444 1.923 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135080953 930040163 /nfs/dbraw/zinc/04/01/63/930040163.db2.gz DTWTWNIUQGZSNM-LSDHHAIUSA-N 2 0 293.455 1.757 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135297412 930134474 /nfs/dbraw/zinc/13/44/74/930134474.db2.gz BCKXRCVTNWWBIY-KBPBESRZSA-N 2 0 279.428 1.224 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135314924 930150594 /nfs/dbraw/zinc/15/05/94/930150594.db2.gz IYKDKRFSGRXRSQ-KGLIPLIRSA-N 2 0 269.433 1.777 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135823604 930442286 /nfs/dbraw/zinc/44/22/86/930442286.db2.gz CYSOKOCMUOMSTC-GJZGRUSLSA-N 2 0 293.455 1.613 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135974307 930584779 /nfs/dbraw/zinc/58/47/79/930584779.db2.gz MNRQDIUMLIPCER-KBPBESRZSA-N 2 0 267.417 1.224 20 30 CDEDRP CN(C)/C=[NH+]/c1ccc(N[C@H]([NH3+])CCC[NH3+])cc1C#N ZINC001170900723 930703265 /nfs/dbraw/zinc/70/32/65/930703265.db2.gz PEWBOOGYQHYEJL-XKYMITNMSA-N 3 0 274.372 1.215 20 30 CDEDRP COc1c(N[C@H]([NH3+])CCC[NH3+])ccc(F)c1C#N ZINC001170905172 930718264 /nfs/dbraw/zinc/71/82/64/930718264.db2.gz UIBJSPHSUUYBJB-NSHDSACASA-N 2 0 252.293 1.142 20 30 CDEDRP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+](CCC#N)CC2)C1=O ZINC001274031167 931130931 /nfs/dbraw/zinc/13/09/31/931130931.db2.gz JGZFGXHQWUJTRP-INIZCTEOSA-N 2 0 292.427 1.166 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001154092632 937502537 /nfs/dbraw/zinc/50/25/37/937502537.db2.gz MTMBAWHDRZHTFW-KGLIPLIRSA-N 2 0 290.411 1.458 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001202771588 931450011 /nfs/dbraw/zinc/45/00/11/931450011.db2.gz IMXLRVJPQJDDEK-UHFFFAOYSA-N 2 0 291.439 1.322 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)CCc1nccn1C ZINC001154435358 937543924 /nfs/dbraw/zinc/54/39/24/937543924.db2.gz BEUHGOJEJKPOTD-CQSZACIVSA-N 2 0 290.411 1.203 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001091327143 932094066 /nfs/dbraw/zinc/09/40/66/932094066.db2.gz ANAVIVSSRYGYHN-UHFFFAOYSA-N 2 0 288.395 1.432 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001147428668 932495440 /nfs/dbraw/zinc/49/54/40/932495440.db2.gz IFFHCMIZQFFWKE-QGZVFWFLSA-N 2 0 287.407 1.193 20 30 CDEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)C[NH+](CC)CC)C2)C1 ZINC001148469845 932713026 /nfs/dbraw/zinc/71/30/26/932713026.db2.gz XQHJIZNAYGCVLU-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CN[C@H]1C[NH2+]CCOC1)C(C)C ZINC000925538709 932901580 /nfs/dbraw/zinc/90/15/80/932901580.db2.gz WCWSJTFWFYAIDB-JKSUJKDBSA-N 2 0 281.444 1.263 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001206653970 937648938 /nfs/dbraw/zinc/64/89/38/937648938.db2.gz QLXKAJMCVSRQEC-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226955 937651050 /nfs/dbraw/zinc/65/10/50/937651050.db2.gz SHPNTSOKOKQDSJ-HUUCEWRRSA-N 2 0 279.428 1.321 20 30 CDEDRP C[C@@H]1CCCN(C(=[NH2+])NCCC[NH+]2CCCC2)C1 ZINC000303782812 935043950 /nfs/dbraw/zinc/04/39/50/935043950.db2.gz NQIHUWIHCANBPK-CYBMUJFWSA-N 2 0 252.406 1.519 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001097177302 936278565 /nfs/dbraw/zinc/27/85/65/936278565.db2.gz NFOGTJADRYTUGG-LVQVYYBASA-N 2 0 291.439 1.768 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157893240 938558399 /nfs/dbraw/zinc/55/83/99/938558399.db2.gz CAEGUHBETIWBDW-HNNXBMFYSA-N 2 0 281.444 1.921 20 30 CDEDRP N#Cc1nc(N[C@@H]([NH3+])CCC[NH3+])c(Cl)cc1Cl ZINC001159789034 938753528 /nfs/dbraw/zinc/75/35/28/938753528.db2.gz PVCRPZFSBMTJOU-SECBINFHSA-N 2 0 274.155 1.696 20 30 CDEDRP CC#CC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161879197 938939519 /nfs/dbraw/zinc/93/95/19/938939519.db2.gz JIQBVJWCEKFGNP-UHFFFAOYSA-N 2 0 289.423 1.244 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001162322607 939023514 /nfs/dbraw/zinc/02/35/14/939023514.db2.gz QZLMCTJSFFYBFV-UHFFFAOYSA-N 2 0 299.378 1.553 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001164449365 939473785 /nfs/dbraw/zinc/47/37/85/939473785.db2.gz JDYIVBNFEDKOEV-HNNXBMFYSA-N 2 0 281.444 1.780 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165772027 939577152 /nfs/dbraw/zinc/57/71/52/939577152.db2.gz GWUMGJPZHYVGIE-UHFFFAOYSA-N 2 0 273.808 1.177 20 30 CDEDRP C=CCOCC[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001166744074 939634473 /nfs/dbraw/zinc/63/44/73/939634473.db2.gz GMCQQYBNPVHEPU-UHFFFAOYSA-N 2 0 299.459 1.263 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001166858443 939644873 /nfs/dbraw/zinc/64/48/73/939644873.db2.gz UYIWHFDGLHFGEX-KBPBESRZSA-N 2 0 269.433 1.777 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001166858445 939645235 /nfs/dbraw/zinc/64/52/35/939645235.db2.gz UYIWHFDGLHFGEX-KGLIPLIRSA-N 2 0 269.433 1.777 20 30 CDEDRP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203519650 939690972 /nfs/dbraw/zinc/69/09/72/939690972.db2.gz BERQQRXKLQEDMU-CABCVRRESA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](CCCC[NH3+])C2)C1 ZINC001205001178 939812848 /nfs/dbraw/zinc/81/28/48/939812848.db2.gz OWVFHZQOTTYHHX-INIZCTEOSA-N 2 0 295.427 1.836 20 30 CDEDRP C=CCN(CC[N@@H+]1CCC[C@@H]([NH3+])CC1)C(=O)OCC ZINC001205093725 939820818 /nfs/dbraw/zinc/82/08/18/939820818.db2.gz FIUSRAPKVKDKEP-CYBMUJFWSA-N 2 0 269.389 1.444 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001205420488 939888991 /nfs/dbraw/zinc/88/89/91/939888991.db2.gz WYIVEWQSGJAIGN-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCn1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cn1 ZINC001206004535 939966380 /nfs/dbraw/zinc/96/63/80/939966380.db2.gz SXTIOSKZSGMFBL-ZFWWWQNUSA-N 2 0 262.401 1.876 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001206948108 940116675 /nfs/dbraw/zinc/11/66/75/940116675.db2.gz VAKTUDTXIMGXNN-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCOC(=O)N[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001207442418 940197540 /nfs/dbraw/zinc/19/75/40/940197540.db2.gz AOQACAWAWDMSTP-AWEZNQCLSA-N 2 0 281.400 1.363 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207550931 940214849 /nfs/dbraw/zinc/21/48/49/940214849.db2.gz NUXYNFJWAZKMML-YUELXQCFSA-N 2 0 279.428 1.339 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209305246 940458204 /nfs/dbraw/zinc/45/82/04/940458204.db2.gz WSJXXVYJKFVMLM-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001209612522 940616775 /nfs/dbraw/zinc/61/67/75/940616775.db2.gz CFESGFNSWLNPOG-JKSUJKDBSA-N 2 0 293.455 1.711 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001210283631 940678604 /nfs/dbraw/zinc/67/86/04/940678604.db2.gz QBYYCRAWHNSVTL-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210673811 940705485 /nfs/dbraw/zinc/70/54/85/940705485.db2.gz IJGNSFCLQOARRE-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210683751 940706123 /nfs/dbraw/zinc/70/61/23/940706123.db2.gz AQFDCIWZYADELK-HNNXBMFYSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210743210 940709653 /nfs/dbraw/zinc/70/96/53/940709653.db2.gz GWJCFPSWOFJFDR-HNNXBMFYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214336166 940817060 /nfs/dbraw/zinc/81/70/60/940817060.db2.gz WOUXVBVAVACTTN-KFWWJZLASA-N 2 0 279.428 1.483 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214611113 940832819 /nfs/dbraw/zinc/83/28/19/940832819.db2.gz PLJKFVMCUIGKHS-OAGGEKHMSA-N 2 0 291.439 1.319 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001214668092 940835816 /nfs/dbraw/zinc/83/58/16/940835816.db2.gz PWGPQABNGSHTMC-QKPAOTATSA-N 2 0 293.455 1.729 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001214904710 940844254 /nfs/dbraw/zinc/84/42/54/940844254.db2.gz GDVAFJRPNIBMIK-OAGGEKHMSA-N 2 0 295.471 1.975 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215558194 940894186 /nfs/dbraw/zinc/89/41/86/940894186.db2.gz NJLVKRPXEWAKIA-ZIAGYGMSSA-N 2 0 279.428 1.034 20 30 CDEDRP C=C1CC[NH2+]C[C@H]1Oc1cccc(N2CC[NH2+]CC2)c1 ZINC001218206636 941044316 /nfs/dbraw/zinc/04/43/16/941044316.db2.gz DOGMEHUDRJJUMU-MRXNPFEDSA-N 2 0 273.380 1.393 20 30 CDEDRP C=C1CC[NH2+]C[C@H]1Oc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001218210767 941044321 /nfs/dbraw/zinc/04/43/21/941044321.db2.gz IYLOAEXPDIWCDX-QGZVFWFLSA-N 2 0 287.407 1.389 20 30 CDEDRP N#Cc1nc2ccc(NC(=O)[C@@H]([NH3+])CCC[NH3+])cc2s1 ZINC001218910303 941287218 /nfs/dbraw/zinc/28/72/18/941287218.db2.gz IVJUHPJZSLSQRE-VIFPVBQESA-N 2 0 289.364 1.173 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@](C)([NH3+])CC(C)C ZINC001220868821 941480011 /nfs/dbraw/zinc/48/00/11/941480011.db2.gz VPUOEHNNBOYXIG-DZGCQCFKSA-N 2 0 267.417 1.517 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001222076238 941560951 /nfs/dbraw/zinc/56/09/51/941560951.db2.gz CICQBOAKOTYMQD-MRXNPFEDSA-N 2 0 291.439 1.466 20 30 CDEDRP N#Cc1cccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c1F ZINC001222109205 941567112 /nfs/dbraw/zinc/56/71/12/941567112.db2.gz BPPQIVPTRUMJTC-UHFFFAOYSA-N 2 0 288.370 1.225 20 30 CDEDRP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223424854 941677434 /nfs/dbraw/zinc/67/74/34/941677434.db2.gz GQHNJTHXPUWDOA-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001223472974 941680086 /nfs/dbraw/zinc/68/00/86/941680086.db2.gz ZFVFGJBJNLFOAK-MRXNPFEDSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001225577418 941883709 /nfs/dbraw/zinc/88/37/09/941883709.db2.gz HIMCBNLOKHQNLP-UHFFFAOYSA-N 2 0 281.444 1.731 20 30 CDEDRP CC(C)[NH+]1CCN(CC[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254643668 947566326 /nfs/dbraw/zinc/56/63/26/947566326.db2.gz QPYTYYFYLVTSJP-LSDHHAIUSA-N 2 0 264.417 1.294 20 30 CDEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@H]1CC[N@@H+](C)C1 ZINC001255425232 947873785 /nfs/dbraw/zinc/87/37/85/947873785.db2.gz BGZKGHYSJZMGDI-HNNXBMFYSA-N 2 0 260.385 1.357 20 30 CDEDRP CCCCCCCC[C@H](O)C[NH2+]CCN1CC[NH2+]CC1 ZINC001245984415 947881172 /nfs/dbraw/zinc/88/11/72/947881172.db2.gz XDZFOUBGBHBWGU-INIZCTEOSA-N 2 0 285.476 1.593 20 30 CDEDRP CC[NH+](CC)CC[C@H](C)NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001255950493 948135957 /nfs/dbraw/zinc/13/59/57/948135957.db2.gz IGEXHLXRIIYODH-LBPRGKRZSA-N 2 0 290.411 1.611 20 30 CDEDRP N#CC1CCC([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)CC1 ZINC001246543428 948247404 /nfs/dbraw/zinc/24/74/04/948247404.db2.gz NDKWAXAVQXNHGL-RUXDESIVSA-N 2 0 251.374 1.244 20 30 CDEDRP CCCCCCC[C@@H](C)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246822845 948460085 /nfs/dbraw/zinc/46/00/85/948460085.db2.gz SWBDISQTMFBNEK-QGZVFWFLSA-N 2 0 298.519 1.820 20 30 CDEDRP C#CCOC[C@H](O)C[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001251896399 950932215 /nfs/dbraw/zinc/93/22/15/950932215.db2.gz IFWQXIOKOSXKIV-UYSNPLJNSA-N 2 0 282.428 1.240 20 30 CDEDRP C=CCC[C@H](O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001252619624 951511875 /nfs/dbraw/zinc/51/18/75/951511875.db2.gz NRQKXQNNJPTREF-INIZCTEOSA-N 2 0 275.396 1.967 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC001340853550 963155334 /nfs/dbraw/zinc/15/53/34/963155334.db2.gz NKVILBHVFVBVNQ-ZIAGYGMSSA-N 2 0 267.417 1.661 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001438489156 963466401 /nfs/dbraw/zinc/46/64/01/963466401.db2.gz JGSKWCHXIFBZSS-RAIGVLPGSA-N 2 0 287.835 1.421 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001341618343 963485254 /nfs/dbraw/zinc/48/52/54/963485254.db2.gz HTEMLKYXOYLKCY-HOTGVXAUSA-N 2 0 293.455 1.860 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001100378166 968165088 /nfs/dbraw/zinc/16/50/88/968165088.db2.gz STQVQNKVZYQTLE-NRXISQOPSA-N 2 0 299.434 1.727 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001100479137 968467365 /nfs/dbraw/zinc/46/73/65/968467365.db2.gz IHVZEQUQZBMULF-UHFFFAOYSA-N 2 0 291.439 1.675 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001100536324 968649095 /nfs/dbraw/zinc/64/90/95/968649095.db2.gz UIBGKUPPCBZMJG-UHFFFAOYSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001406773973 976401254 /nfs/dbraw/zinc/40/12/54/976401254.db2.gz LETNXNHNBVUQID-CYBMUJFWSA-N 2 0 299.846 1.565 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)CCC ZINC001394536800 978196824 /nfs/dbraw/zinc/19/68/24/978196824.db2.gz FIJIXOLLBHUDTQ-GFCCVEGCSA-N 2 0 275.824 1.517 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132437648 1163289723 /nfs/dbraw/zinc/28/97/23/1163289723.db2.gz WOXCKWGOJLWZSX-HOTGVXAUSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132433961 1163288725 /nfs/dbraw/zinc/28/87/25/1163288725.db2.gz SHTXZYHIMAFSJW-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[NH2+][C@@H](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001674239496 1173925857 /nfs/dbraw/zinc/92/58/57/1173925857.db2.gz RRPLCKOURLBSHA-AWEZNQCLSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1CCC ZINC001574908354 1171046363 /nfs/dbraw/zinc/04/63/63/1171046363.db2.gz KSGSDFFCOSYMNO-UONOGXRCSA-N 2 0 267.417 1.661 20 30 CDEDRP CC(C)(CNC(=O)[C@H]([NH3+])CCCC#N)C[NH+]1CCCC1 ZINC001575320413 1171152969 /nfs/dbraw/zinc/15/29/69/1171152969.db2.gz VUWGPLUTBRIAQZ-CYBMUJFWSA-N 2 0 280.416 1.246 20 30 CDEDRP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@@H](O)c1cccc(C#N)c1 ZINC001576481881 1171434122 /nfs/dbraw/zinc/43/41/22/1171434122.db2.gz GLZXNEJISVPVMF-HUUCEWRRSA-N 2 0 273.380 1.569 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000601005502 342458546 /nfs/dbraw/zinc/45/85/46/342458546.db2.gz UFTGJUHDPCSIGE-CQSZACIVSA-N 2 0 265.401 1.237 20 30 CDEDRP Cc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)c(C#N)cn1 ZINC000591821578 342647581 /nfs/dbraw/zinc/64/75/81/342647581.db2.gz VLUHUHSKJYDMHN-HNNXBMFYSA-N 2 0 286.379 1.349 20 30 CDEDRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594440246 342907117 /nfs/dbraw/zinc/90/71/17/342907117.db2.gz AXEQVHNMGZJZNA-KGLIPLIRSA-N 2 0 280.416 1.246 20 30 CDEDRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCC[C@H](C#N)C2)CC1(C)C ZINC000442869147 362098623 /nfs/dbraw/zinc/09/86/23/362098623.db2.gz IKFBLPRXSZXVDN-GJZGRUSLSA-N 2 0 278.444 1.684 20 30 CDEDRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442781105 362089586 /nfs/dbraw/zinc/08/95/86/362089586.db2.gz LYGJFRDJMHNNKG-HUUCEWRRSA-N 2 0 264.417 1.296 20 30 CDEDRP C[NH+]=C(NCCc1csc(C)n1)NC[C@H]1CC[N@H+](C)C1 ZINC000083737769 342378577 /nfs/dbraw/zinc/37/85/77/342378577.db2.gz IDAOXGLAWASATL-GFCCVEGCSA-N 2 0 295.456 1.111 20 30 CDEDRP C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)CC(C)(C)C#N)CCCO1 ZINC000598723513 343884906 /nfs/dbraw/zinc/88/49/06/343884906.db2.gz IXKQUOMLWJGHKX-GJZGRUSLSA-N 2 0 297.443 1.378 20 30 CDEDRP CC(C)(C#N)C[C@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000598728014 343886794 /nfs/dbraw/zinc/88/67/94/343886794.db2.gz MIJBSYYMSBLNHQ-HNNXBMFYSA-N 2 0 279.428 1.894 20 30 CDEDRP CC(C)(C#N)C[C@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000598729763 343888171 /nfs/dbraw/zinc/88/81/71/343888171.db2.gz MXFWQQISGZULSY-CABCVRRESA-N 2 0 297.443 1.114 20 30 CDEDRP C[NH+](C)CCCN(CCC#N)C(=O)C1(C[NH+](C)C)CC1 ZINC000602083376 344329158 /nfs/dbraw/zinc/32/91/58/344329158.db2.gz XAKGZEHHGKVITP-UHFFFAOYSA-N 2 0 280.416 1.022 20 30 CDEDRP C=CCN1CC[C@H]([N@H+](C)CCCC[NH+]2CCCCC2)C1=O ZINC000640534174 362404596 /nfs/dbraw/zinc/40/45/96/362404596.db2.gz MWECTCBAMGOPLW-INIZCTEOSA-N 2 0 293.455 1.971 20 30 CDEDRP C[N@@H+](Cc1cccc(C#N)n1)CC1CC[NH+](C)CC1 ZINC000602462670 350111780 /nfs/dbraw/zinc/11/17/80/350111780.db2.gz OKLVPLGUAJMZGP-UHFFFAOYSA-N 2 0 258.369 1.727 20 30 CDEDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602516355 350116331 /nfs/dbraw/zinc/11/63/31/350116331.db2.gz ZMWBBQATUVIQRS-CQSZACIVSA-N 2 0 287.411 1.069 20 30 CDEDRP C[NH+]=C(NCc1ccccc1OCC[NH+](C)C)NC1CC1 ZINC000264053150 362952525 /nfs/dbraw/zinc/95/25/25/362952525.db2.gz NIQHCTTWTXZJSJ-UHFFFAOYSA-N 2 0 290.411 1.454 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(OC)c1 ZINC000264121341 362972016 /nfs/dbraw/zinc/97/20/16/362972016.db2.gz REWBLMRRZVSQND-AWEZNQCLSA-N 2 0 290.411 1.584 20 30 CDEDRP N#Cc1ccc(N2CCC([NH2+]C3CC[NH2+]CC3)CC2)cc1 ZINC000423191048 283154151 /nfs/dbraw/zinc/15/41/51/283154151.db2.gz UCFRSLIRRLXGLB-UHFFFAOYSA-N 2 0 284.407 1.869 20 30 CDEDRP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070170615 356846768 /nfs/dbraw/zinc/84/67/68/356846768.db2.gz QEWVHMVBGRCQJU-AWEZNQCLSA-N 2 0 265.401 1.248 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCCC[NH2+]1)C(C)C ZINC000236687526 358798774 /nfs/dbraw/zinc/79/87/74/358798774.db2.gz ASCRGVOYTYBLJE-HZPDHXFCSA-N 2 0 293.455 1.943 20 30 CDEDRP C#C[C@@H](NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)C(C)C ZINC000262091370 359134244 /nfs/dbraw/zinc/13/42/44/359134244.db2.gz GKIJKYCJWTUPFC-CHWSQXEVSA-N 2 0 250.390 1.033 20 30 CDEDRP C=CCN1CC[C@H]([N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)C1=O ZINC000335277595 359300243 /nfs/dbraw/zinc/30/02/43/359300243.db2.gz JWBFDSPEMQFRMT-KGLIPLIRSA-N 2 0 277.412 1.237 20 30 CDEDRP C=CCOCCC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000348032652 359782007 /nfs/dbraw/zinc/78/20/07/359782007.db2.gz LBECAFMOMIELNT-HNNXBMFYSA-N 2 0 284.444 1.604 20 30 CDEDRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000176946206 189016145 /nfs/dbraw/zinc/01/61/45/189016145.db2.gz YJUUGICXLJPCNE-UHFFFAOYSA-N 2 0 292.452 1.735 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccoc1 ZINC000170904514 365158781 /nfs/dbraw/zinc/15/87/81/365158781.db2.gz PQDHUXQSNNJZBE-GFCCVEGCSA-N 2 0 250.346 1.168 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000305106673 370865435 /nfs/dbraw/zinc/86/54/35/370865435.db2.gz ZMLJRNUXYRNPJD-MRXNPFEDSA-N 2 0 282.428 1.358 20 30 CDEDRP C=C(CC)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000358820955 367907609 /nfs/dbraw/zinc/90/76/09/367907609.db2.gz UYIRPZRASDADGM-HOTGVXAUSA-N 2 0 265.445 1.910 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000164415429 371310832 /nfs/dbraw/zinc/31/08/32/371310832.db2.gz VLXMPLFMDSLZIM-AWEZNQCLSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCCCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000579195438 372554234 /nfs/dbraw/zinc/55/42/34/372554234.db2.gz YAKRVLKGKALZNU-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)CC2 ZINC000353390953 375403720 /nfs/dbraw/zinc/40/37/20/375403720.db2.gz VWYFNRMITDGGPH-SFHVURJKSA-N 2 0 299.418 1.839 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)C(C)C ZINC000165201883 376631245 /nfs/dbraw/zinc/63/12/45/376631245.db2.gz GALYERVWTPYFOI-CABCVRRESA-N 2 0 279.428 1.411 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000343694473 378950436 /nfs/dbraw/zinc/95/04/36/378950436.db2.gz IUISEVMQCZFEJU-CQSZACIVSA-N 2 0 297.468 1.190 20 30 CDEDRP C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCN1C1CC[NH+](C)CC1 ZINC000339062182 391248084 /nfs/dbraw/zinc/24/80/84/391248084.db2.gz ZJHQDEGYGNTEJI-BFYDXBDKSA-N 2 0 290.455 1.779 20 30 CDEDRP Cc1ccc(NC(=[NH2+])NC[C@@H]2C[NH+]3CCN2CC3)cc1C ZINC000305222303 391198982 /nfs/dbraw/zinc/19/89/82/391198982.db2.gz UJPPOSDZSPZQHV-OAHLLOKOSA-N 2 0 287.411 1.030 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1COc2ccccc21 ZINC000262663778 391809306 /nfs/dbraw/zinc/80/93/06/391809306.db2.gz MNUPOTDSRBWUOF-TZMCWYRMSA-N 2 0 288.395 1.509 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)CC[NH3+])C(C)C ZINC000236657487 130965454 /nfs/dbraw/zinc/96/54/54/130965454.db2.gz XLZGCVHBILXCEZ-ZDUSSCGKSA-N 2 0 253.390 1.150 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000519761524 392847831 /nfs/dbraw/zinc/84/78/31/392847831.db2.gz BFGLLVGUESNLNK-PIIMJCKOSA-N 2 0 296.418 1.330 20 30 CDEDRP CNCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423253766 392960061 /nfs/dbraw/zinc/96/00/61/392960061.db2.gz ZRUSGKJTFYRLBG-UHFFFAOYSA-N 2 0 258.369 1.336 20 30 CDEDRP C#CC[NH+](CCOCC[N@@H+](CC#C)C1CC1)C1CC1 ZINC000274233902 397705173 /nfs/dbraw/zinc/70/51/73/397705173.db2.gz WXEHRJDSUVXWOE-UHFFFAOYSA-N 2 0 260.381 1.198 20 30 CDEDRP C=CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H](C)COC ZINC000661241472 413913810 /nfs/dbraw/zinc/91/38/10/413913810.db2.gz YVPLWVIEPJQXKQ-KRWDZBQOSA-N 2 0 297.487 1.925 20 30 CDEDRP C[NH+](C)C1CCN(CC[NH2+]CC(C)(C)CCC#N)CC1 ZINC000347808037 226380793 /nfs/dbraw/zinc/38/07/93/226380793.db2.gz NRJDFIPRCAYKSI-UHFFFAOYSA-N 2 0 280.460 1.932 20 30 CDEDRP N#C[C@@H]1CCC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000333761569 228212811 /nfs/dbraw/zinc/21/28/11/228212811.db2.gz AMZSNTRBPRNYHA-KZYLPZIUSA-N 2 0 290.455 1.875 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000237394027 260684748 /nfs/dbraw/zinc/68/47/48/260684748.db2.gz OMDGMYFDQGVKDQ-LSDHHAIUSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NCC1C[NH2+]C1)C(C)C ZINC000417065868 263780034 /nfs/dbraw/zinc/78/00/34/263780034.db2.gz QDSCQMXZKKEPPV-OAHLLOKOSA-N 2 0 294.443 1.204 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)C(C)C ZINC000165203027 264210242 /nfs/dbraw/zinc/21/02/42/264210242.db2.gz DECRTHGWCBRROR-GOEBONIOSA-N 2 0 297.418 1.503 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC1 ZINC000334506254 264373352 /nfs/dbraw/zinc/37/33/52/264373352.db2.gz SUMXASYTHKJDOW-OKILXGFUSA-N 2 0 294.443 1.371 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](C)C1C[NH2+]C1)C(C)C ZINC000357168176 266259354 /nfs/dbraw/zinc/25/93/54/266259354.db2.gz BFYRSDTWFLYFMX-GDBMZVCRSA-N 2 0 293.455 1.657 20 30 CDEDRP CC#CCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000368139095 267147651 /nfs/dbraw/zinc/14/76/51/267147651.db2.gz NHCDFLQDEMPDCL-JKSUJKDBSA-N 2 0 263.429 1.358 20 30 CDEDRP C=C(C)CN1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000563422865 328064221 /nfs/dbraw/zinc/06/42/21/328064221.db2.gz HHXWQSSKRILGJF-HIFRSBDPSA-N 2 0 251.418 1.886 20 30 CDEDRP CNC(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)=[NH+]C ZINC000265193632 328070943 /nfs/dbraw/zinc/07/09/43/328070943.db2.gz SENVTYWLFMZSLN-AWEZNQCLSA-N 2 0 260.385 1.446 20 30 CDEDRP CN(CCC[N@H+](C)CCOCCC#N)Cc1ccco1 ZINC000293431774 328276042 /nfs/dbraw/zinc/27/60/42/328276042.db2.gz BGTUEGODRJSDFI-UHFFFAOYSA-N 2 0 279.384 1.964 20 30 CDEDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCOCCC#N)C2)CC1 ZINC000582738706 329134600 /nfs/dbraw/zinc/13/46/00/329134600.db2.gz HPGHUNGZEFSNKM-INIZCTEOSA-N 2 0 294.443 1.017 20 30 CDEDRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185881531 329334367 /nfs/dbraw/zinc/33/43/67/329334367.db2.gz ATYPTMXMIVOHRM-CVEARBPZSA-N 2 0 278.444 1.686 20 30 CDEDRP C#CC[N@@H+](C)CCCNC1CC[NH+](CCC)CC1 ZINC000392759932 329379343 /nfs/dbraw/zinc/37/93/43/329379343.db2.gz KJOFZSMTXDKUMI-UHFFFAOYSA-N 2 0 251.418 1.406 20 30 CDEDRP C[NH+](C)CC1(CNC(=[NH2+])N2CCSCC2)CCCC1 ZINC000262382532 330011954 /nfs/dbraw/zinc/01/19/54/330011954.db2.gz OYWVXWYGKWVZSJ-UHFFFAOYSA-N 2 0 284.473 1.472 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423098866 330170088 /nfs/dbraw/zinc/17/00/88/330170088.db2.gz SSNMSCQECJIJTO-YYJFMHSASA-N 2 0 250.386 1.840 20 30 CDEDRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000424085648 330223289 /nfs/dbraw/zinc/22/32/89/330223289.db2.gz ZIDOEYRDUJNIBU-GXFFZTMASA-N 2 0 260.341 1.666 20 30 CDEDRP C[NH2+]Cc1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000424160408 330306269 /nfs/dbraw/zinc/30/62/69/330306269.db2.gz AUTDLGRQTNMXLG-ZDUSSCGKSA-N 2 0 260.341 1.366 20 30 CDEDRP C#CCNC(=O)CC[NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000491747055 332324536 /nfs/dbraw/zinc/32/45/36/332324536.db2.gz CCYHMBPGEDVGLE-CVEARBPZSA-N 2 0 293.455 1.616 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001753808161 1159914055 /nfs/dbraw/zinc/91/40/55/1159914055.db2.gz BMDYEAWRWDEDMP-LSDHHAIUSA-N 2 0 281.444 1.731 20 30 CDEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001088317668 1160365433 /nfs/dbraw/zinc/36/54/33/1160365433.db2.gz KRZQIRCSDIEDEH-OWCLPIDISA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000669465266 483172772 /nfs/dbraw/zinc/17/27/72/483172772.db2.gz OEUQCXGGVLGVMQ-HIFRSBDPSA-N 2 0 292.427 1.030 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001113007012 1162068319 /nfs/dbraw/zinc/06/83/19/1162068319.db2.gz HJVCDEUENTXBCZ-HUUCEWRRSA-N 2 0 281.444 1.826 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000770765662 575496893 /nfs/dbraw/zinc/49/68/93/575496893.db2.gz HTYNNLCFNTVKJL-INIZCTEOSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000760844691 576515498 /nfs/dbraw/zinc/51/54/98/576515498.db2.gz VZASNERVQWCBAO-UHFFFAOYSA-N 2 0 250.386 1.587 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000743493524 576642783 /nfs/dbraw/zinc/64/27/83/576642783.db2.gz XHDACPHGAOKAOP-MRXNPFEDSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000963344199 612955831 /nfs/dbraw/zinc/95/58/31/612955831.db2.gz JAGSEXINIPXCDN-PRLABOORSA-N 2 0 291.439 1.319 20 30 CDEDRP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000969145145 613001691 /nfs/dbraw/zinc/00/16/91/613001691.db2.gz ZCZAGBMDLMGTFM-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000971673290 613082643 /nfs/dbraw/zinc/08/26/43/613082643.db2.gz FSNOSOVSNAWUPW-HZPDHXFCSA-N 2 0 291.439 1.130 20 30 CDEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000969691875 613299469 /nfs/dbraw/zinc/29/94/69/613299469.db2.gz YZVUBYMLWIFYPZ-VNQPRFMTSA-N 2 0 293.455 1.729 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948041002 613335010 /nfs/dbraw/zinc/33/50/10/613335010.db2.gz WYMRNUIHRRHJBE-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000977919968 613381637 /nfs/dbraw/zinc/38/16/37/613381637.db2.gz LANJJQNDTPLWTK-FQUUOJAGSA-N 2 0 297.830 1.127 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000968912218 613384975 /nfs/dbraw/zinc/38/49/75/613384975.db2.gz CQDGPMRXACQGHS-CHWSQXEVSA-N 2 0 285.819 1.270 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000947686203 613535130 /nfs/dbraw/zinc/53/51/30/613535130.db2.gz VLHWJFCTOOHKRT-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000971641850 613634194 /nfs/dbraw/zinc/63/41/94/613634194.db2.gz OLAPVKYRXKSCNE-LSDHHAIUSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000948553182 613700860 /nfs/dbraw/zinc/70/08/60/613700860.db2.gz FMOBUQLRRQRMRU-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947722818 613781477 /nfs/dbraw/zinc/78/14/77/613781477.db2.gz LXIIAXVKOMLQFR-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000896520352 620127193 /nfs/dbraw/zinc/12/71/93/620127193.db2.gz HYZOYNPBZWGCBD-HNNXBMFYSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000908436811 628199904 /nfs/dbraw/zinc/19/99/04/628199904.db2.gz VOXBXIYVNLSNAQ-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000911656539 629402957 /nfs/dbraw/zinc/40/29/57/629402957.db2.gz QACGHIXBVJVYRN-CQSZACIVSA-N 2 0 269.433 1.886 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911787780 629512010 /nfs/dbraw/zinc/51/20/10/629512010.db2.gz MEJUGTANAUDBRT-KBPBESRZSA-N 2 0 269.433 1.885 20 30 CDEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157712088 1162333428 /nfs/dbraw/zinc/33/34/28/1162333428.db2.gz YWOMPRGCIHPXEM-CABCVRRESA-N 2 0 277.412 1.027 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130300850 1162596759 /nfs/dbraw/zinc/59/67/59/1162596759.db2.gz WDABMYIDOXFBNI-ZDUSSCGKSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132093855 1163168354 /nfs/dbraw/zinc/16/83/54/1163168354.db2.gz DNOXLVCIQBAZCD-ZIAGYGMSSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ncc[nH]1 ZINC001115013367 1162090051 /nfs/dbraw/zinc/09/00/51/1162090051.db2.gz KYQOEDWFHRHINZ-BCUIYNNISA-N 2 0 288.395 1.353 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135743163 1164172886 /nfs/dbraw/zinc/17/28/86/1164172886.db2.gz GDXOSIVHRQXVHD-CHWSQXEVSA-N 2 0 255.406 1.387 20 30 CDEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001114442402 1165044893 /nfs/dbraw/zinc/04/48/93/1165044893.db2.gz GMJNRWMNFAUXHD-JJXSEGSLSA-N 2 0 293.455 1.585 20 30 CDEDRP C[C@@H](CC[NH+](C)C)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001647232038 1168473778 /nfs/dbraw/zinc/47/37/78/1168473778.db2.gz NKBBPCZVRCPVNV-ZDUSSCGKSA-N 2 0 288.395 1.817 20 30 CDEDRP C#CCCN[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC001574583766 1170994909 /nfs/dbraw/zinc/99/49/09/1170994909.db2.gz NDNFAMKTEDTTEC-HOTGVXAUSA-N 2 0 258.365 1.754 20 30 CDEDRP N#CC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCOCC1 ZINC001580038940 1172330368 /nfs/dbraw/zinc/33/03/68/1172330368.db2.gz WQEKJBWNCGYTSV-MELADBBJSA-N 2 0 263.385 1.284 20 30 CDEDRP C#CCC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001713876648 1178808089 /nfs/dbraw/zinc/80/80/89/1178808089.db2.gz PBYGRLJVUDKUJQ-HUUCEWRRSA-N 2 0 279.428 1.080 20 30 CDEDRP C#CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001716895529 1180456987 /nfs/dbraw/zinc/45/69/87/1180456987.db2.gz JYKYWDNBGVHYTP-DOTOQJQBSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001732153103 1182811312 /nfs/dbraw/zinc/81/13/12/1182811312.db2.gz BCEDYXMRYRIXTB-ZDUSSCGKSA-N 2 0 253.390 1.095 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001732971349 1183212035 /nfs/dbraw/zinc/21/20/35/1183212035.db2.gz RWZNKVANJFLBIZ-MNOVXSKESA-N 2 0 261.797 1.173 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001733921752 1183568389 /nfs/dbraw/zinc/56/83/89/1183568389.db2.gz UDNNQGGEIUFZCM-JKSUJKDBSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CC[NH+](CC)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001752181916 1184833836 /nfs/dbraw/zinc/83/38/36/1184833836.db2.gz PJTODEMUWZZXPB-LSDHHAIUSA-N 2 0 281.444 1.731 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001752820542 1184924706 /nfs/dbraw/zinc/92/47/06/1184924706.db2.gz OFJHOUZGFOXMNV-HNNXBMFYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001752864703 1184939961 /nfs/dbraw/zinc/93/99/61/1184939961.db2.gz XBWXUADOHLBQQA-OLZOCXBDSA-N 2 0 253.390 1.141 20 30 CDEDRP CC#CC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001752997718 1184988533 /nfs/dbraw/zinc/98/85/33/1184988533.db2.gz SMYOEWXOLJNINR-HNNXBMFYSA-N 2 0 279.428 1.274 20 30 CDEDRP CC#CC[N@H+](CC)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001753092873 1185055271 /nfs/dbraw/zinc/05/52/71/1185055271.db2.gz OYBCGXIXHWVYMJ-UHFFFAOYSA-N 2 0 293.455 1.568 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CCCC2)C1 ZINC001753323708 1185154620 /nfs/dbraw/zinc/15/46/20/1185154620.db2.gz QMJUKWQDLPGXDD-INIZCTEOSA-N 2 0 291.439 1.418 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001753444323 1185210689 /nfs/dbraw/zinc/21/06/89/1185210689.db2.gz OUONAJYGPNNJNF-OAHLLOKOSA-N 2 0 293.455 1.520 20 30 CDEDRP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001753448091 1185214276 /nfs/dbraw/zinc/21/42/76/1185214276.db2.gz MQBYHMZCWZZEBW-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001753473205 1185226394 /nfs/dbraw/zinc/22/63/94/1185226394.db2.gz FWLKBTFDDATWIU-HOTGVXAUSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001753729361 1185320033 /nfs/dbraw/zinc/32/00/33/1185320033.db2.gz RHISOCNLHYMOCG-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001753742435 1185325782 /nfs/dbraw/zinc/32/57/82/1185325782.db2.gz SBKMKVYJGXUEBM-HOTGVXAUSA-N 2 0 293.455 1.472 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001753896535 1185384346 /nfs/dbraw/zinc/38/43/46/1185384346.db2.gz CDLLCPYRTUZRHN-HUUCEWRRSA-N 2 0 291.439 1.533 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC(C)C)CC1 ZINC001754296632 1185557436 /nfs/dbraw/zinc/55/74/36/1185557436.db2.gz TZUXWXBLMWAMQJ-AWEZNQCLSA-N 2 0 279.428 1.082 20 30 CDEDRP CC#CC[NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001754401337 1185608215 /nfs/dbraw/zinc/60/82/15/1185608215.db2.gz UDKLLFQHYMALPX-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP C=C(C)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001754524373 1185658658 /nfs/dbraw/zinc/65/86/58/1185658658.db2.gz CXZBEQPWMCRFTD-CYBMUJFWSA-N 2 0 265.401 1.143 20 30 CDEDRP C=CCCC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001754682252 1185704026 /nfs/dbraw/zinc/70/40/26/1185704026.db2.gz BPGGEEGHKVZIIG-MRXNPFEDSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001755188506 1185843492 /nfs/dbraw/zinc/84/34/92/1185843492.db2.gz GUTHHRLDKKYPCJ-KBPBESRZSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CC[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001755355833 1185926562 /nfs/dbraw/zinc/92/65/62/1185926562.db2.gz WQEVFFRNQLYSFE-UHFFFAOYSA-N 2 0 291.439 1.677 20 30 CDEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)CC[N@@H+](C)CCC)C1 ZINC001755390211 1185938452 /nfs/dbraw/zinc/93/84/52/1185938452.db2.gz NFHXCZGRIRODHS-AWEZNQCLSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001755708162 1186043170 /nfs/dbraw/zinc/04/31/70/1186043170.db2.gz KWPZBYWKGLGRDK-OWCLPIDISA-N 2 0 293.455 1.731 20 30 CDEDRP CCOCCCNC(=[NH2+])NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000303894113 753867037 /nfs/dbraw/zinc/86/70/37/753867037.db2.gz OPYXYZBANUCSMZ-HNNXBMFYSA-N 2 0 298.475 1.829 20 30 CDEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001016970087 753875753 /nfs/dbraw/zinc/87/57/53/753875753.db2.gz RXOMPYFAJZSXKL-LSDHHAIUSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001020289200 753891490 /nfs/dbraw/zinc/89/14/90/753891490.db2.gz UMLRWZVOZDPDOM-AJNGGQMLSA-N 2 0 277.412 1.426 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989483193 753934393 /nfs/dbraw/zinc/93/43/93/753934393.db2.gz OZWSLVVHDVDXHZ-OAHLLOKOSA-N 2 0 279.428 1.439 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033657304 753948809 /nfs/dbraw/zinc/94/88/09/753948809.db2.gz JKJHTYMRZXFQPY-OAHLLOKOSA-N 2 0 279.428 1.581 20 30 CDEDRP CCN(CC)C(=[NH2+])NCC1(C[NH+](C)C)CCCC1 ZINC000305837255 753955873 /nfs/dbraw/zinc/95/58/73/753955873.db2.gz XKDDGYMVGHQKRN-UHFFFAOYSA-N 2 0 254.422 1.765 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC=CCC1 ZINC000261985386 754093602 /nfs/dbraw/zinc/09/36/02/754093602.db2.gz JPCBLBUNXZKUIN-ZIAGYGMSSA-N 2 0 264.417 1.731 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCCC[NH+](C(C)C)C(C)C ZINC000304715214 754138557 /nfs/dbraw/zinc/13/85/57/754138557.db2.gz PKSAQJMEWCHNEQ-UHFFFAOYSA-N 2 0 254.422 1.976 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014457440 754197845 /nfs/dbraw/zinc/19/78/45/754197845.db2.gz PSCNFBLCWOCIMZ-LSDHHAIUSA-N 2 0 277.412 1.095 20 30 CDEDRP C[C@@H]1C[NH+]=C(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)N1 ZINC000261579311 754219298 /nfs/dbraw/zinc/21/92/98/754219298.db2.gz PKYMDMFFRPRKNI-BZPMIXESSA-N 2 0 252.406 1.434 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009512042 754292031 /nfs/dbraw/zinc/29/20/31/754292031.db2.gz ADNQMHUCQBNTEI-AWEZNQCLSA-N 2 0 265.401 1.239 20 30 CDEDRP C[C@H](CNC(=[NH2+])NCCc1ccccc1)C[NH+]1CCCC1 ZINC000303892378 754367505 /nfs/dbraw/zinc/36/75/05/754367505.db2.gz RDVRNQQGVBDGBY-OAHLLOKOSA-N 2 0 288.439 1.865 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001027576139 754370307 /nfs/dbraw/zinc/37/03/07/754370307.db2.gz KYXMYSARYBWBQM-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CCC[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034490040 754374103 /nfs/dbraw/zinc/37/41/03/754374103.db2.gz IHEMVLKLCPRHKG-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCCCCC2)C1 ZINC000305068755 754608704 /nfs/dbraw/zinc/60/87/04/754608704.db2.gz NWEMMRUCLJWARI-ZDUSSCGKSA-N 2 0 252.406 1.519 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028930149 754619424 /nfs/dbraw/zinc/61/94/24/754619424.db2.gz AJEMFRBPTMHRCZ-CQSZACIVSA-N 2 0 277.412 1.096 20 30 CDEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993751081 754663359 /nfs/dbraw/zinc/66/33/59/754663359.db2.gz FHEFEPGLQNLXBV-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC000986353954 754690799 /nfs/dbraw/zinc/69/07/99/754690799.db2.gz JZTNDGUSXHXYDB-JSGCOSHPSA-N 2 0 299.846 1.802 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000988956685 754703540 /nfs/dbraw/zinc/70/35/40/754703540.db2.gz STZAWCOKTNRGFH-KBPBESRZSA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000805336034 754845176 /nfs/dbraw/zinc/84/51/76/754845176.db2.gz BWBCLPWUMQLCGN-UONOGXRCSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027519191 754925959 /nfs/dbraw/zinc/92/59/59/754925959.db2.gz GYUKIGHNTKPRPN-HNNXBMFYSA-N 2 0 293.455 1.970 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[C@@H]1CCCCO1 ZINC000305802860 754960748 /nfs/dbraw/zinc/96/07/48/754960748.db2.gz FEXYIAWMOLOZCZ-GJZGRUSLSA-N 2 0 296.459 1.724 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997064158 755012348 /nfs/dbraw/zinc/01/23/48/755012348.db2.gz UWUBVFJHDAXKAR-INIZCTEOSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001028097810 755069735 /nfs/dbraw/zinc/06/97/35/755069735.db2.gz FUUVIWMBMBGESI-SOUVJXGZSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000996718385 755115852 /nfs/dbraw/zinc/11/58/52/755115852.db2.gz OFDQJQCEKGVXLC-CYBMUJFWSA-N 2 0 253.390 1.093 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076571765 755120371 /nfs/dbraw/zinc/12/03/71/755120371.db2.gz XSMPDAFOHJSFGF-LSDHHAIUSA-N 2 0 277.412 1.191 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC000993562904 755124452 /nfs/dbraw/zinc/12/44/52/755124452.db2.gz GAQIEJJMGKNNLH-CABCVRRESA-N 2 0 291.439 1.770 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCSC(F)(F)F ZINC000170905201 755129212 /nfs/dbraw/zinc/12/92/12/755129212.db2.gz UMJYVUZURWCOKI-SECBINFHSA-N 2 0 298.378 1.628 20 30 CDEDRP C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001017617732 755239330 /nfs/dbraw/zinc/23/93/30/755239330.db2.gz SKZGWYJZEPVEST-GASCZTMLSA-N 2 0 291.439 1.722 20 30 CDEDRP N#Cc1ccc(NCC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])nc1 ZINC000925892970 755324861 /nfs/dbraw/zinc/32/48/61/755324861.db2.gz ITXQETHWJZNDOF-KGLIPLIRSA-N 2 0 273.384 1.472 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001049369361 755399712 /nfs/dbraw/zinc/39/97/12/755399712.db2.gz NNDNGDAYDPUCKS-ARFHVFGLSA-N 2 0 289.423 1.169 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOCC1CC1 ZINC000303781670 755415306 /nfs/dbraw/zinc/41/53/06/755415306.db2.gz MOSIITAZYYPHGG-CQSZACIVSA-N 2 0 282.432 1.192 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](C)C ZINC001032475075 755488504 /nfs/dbraw/zinc/48/85/04/755488504.db2.gz VWEUQSUYBTYLAX-SOUVJXGZSA-N 2 0 279.428 1.578 20 30 CDEDRP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001073430806 755582905 /nfs/dbraw/zinc/58/29/05/755582905.db2.gz LGLGUQFYNCHNFD-UHFFFAOYSA-N 2 0 291.439 1.583 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001007370147 755644106 /nfs/dbraw/zinc/64/41/06/755644106.db2.gz WMRHQJWVXYCLQA-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001038392956 755828932 /nfs/dbraw/zinc/82/89/32/755828932.db2.gz FIIMSJRXTNOAGU-OAHLLOKOSA-N 2 0 291.439 1.629 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000928653285 755841776 /nfs/dbraw/zinc/84/17/76/755841776.db2.gz GYNAVRSIONKGFW-UHFFFAOYSA-N 2 0 282.347 1.162 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001074812031 755851666 /nfs/dbraw/zinc/85/16/66/755851666.db2.gz SXRXARJXSQAYQJ-IHRRRGAJSA-N 2 0 265.401 1.236 20 30 CDEDRP C=CCNC(=[NH2+])NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000848989594 755884352 /nfs/dbraw/zinc/88/43/52/755884352.db2.gz ZDZGBEUKSGIFKK-ZDUSSCGKSA-N 2 0 252.406 1.798 20 30 CDEDRP C=C(C)COCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000820824429 755908135 /nfs/dbraw/zinc/90/81/35/755908135.db2.gz SKDVYDJVLHVKOV-MQVJKMGUSA-N 2 0 282.428 1.811 20 30 CDEDRP [NH2+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCCCC1 ZINC000303908568 755921982 /nfs/dbraw/zinc/92/19/82/755921982.db2.gz XPWKZZMBUYYRNV-LBPRGKRZSA-N 2 0 250.390 1.271 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023750407 756020332 /nfs/dbraw/zinc/02/03/32/756020332.db2.gz LUSYDHXUIZJICQ-HZPDHXFCSA-N 2 0 293.455 1.733 20 30 CDEDRP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCOCC1)CC(C)C ZINC000303787649 756178688 /nfs/dbraw/zinc/17/86/88/756178688.db2.gz SQIQFIOAXXXJST-CQSZACIVSA-N 2 0 284.448 1.390 20 30 CDEDRP C#CC[C@@H](CCOC)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877660507 756195079 /nfs/dbraw/zinc/19/50/79/756195079.db2.gz MXTILAJHYMTYKO-AWEZNQCLSA-N 2 0 282.428 1.240 20 30 CDEDRP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001052255288 756254567 /nfs/dbraw/zinc/25/45/67/756254567.db2.gz YXRHLQIFUWHAFQ-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032027003 756278662 /nfs/dbraw/zinc/27/86/62/756278662.db2.gz LRUGJCBFTGTBAH-HNNXBMFYSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCS(=O)(=O)CCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000817921838 756320791 /nfs/dbraw/zinc/32/07/91/756320791.db2.gz IXUGYCOVRRUBPY-KGLIPLIRSA-N 2 0 288.457 1.488 20 30 CDEDRP C[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)C[NH+]1CCCCC1 ZINC000303261670 756336370 /nfs/dbraw/zinc/33/63/70/756336370.db2.gz OSCYDNTWQYAWQJ-UONOGXRCSA-N 2 0 282.432 1.192 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001003220025 756350941 /nfs/dbraw/zinc/35/09/41/756350941.db2.gz SLTSKILCCBQYPA-UHFFFAOYSA-N 2 0 296.374 1.470 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000933355438 756429128 /nfs/dbraw/zinc/42/91/28/756429128.db2.gz RHLFXFXBBKSKGI-UHFFFAOYSA-N 2 0 279.428 1.369 20 30 CDEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001031675977 756450187 /nfs/dbraw/zinc/45/01/87/756450187.db2.gz YBPDNGDZUATNTR-INIZCTEOSA-N 2 0 291.439 1.342 20 30 CDEDRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])N(C)C2CC2)C1 ZINC000305841685 756528698 /nfs/dbraw/zinc/52/86/98/756528698.db2.gz ZORYDQKBZNOJAZ-LBPRGKRZSA-N 2 0 266.433 1.906 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001052711976 756674295 /nfs/dbraw/zinc/67/42/95/756674295.db2.gz CIDJBEOSIPIQBI-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001022613369 756697637 /nfs/dbraw/zinc/69/76/37/756697637.db2.gz ZCMZJPJGMPNFRR-BETUJISGSA-N 2 0 277.368 1.378 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001036095993 756804536 /nfs/dbraw/zinc/80/45/36/756804536.db2.gz ZGYLXQZWZMYROU-CABCVRRESA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001027693717 756806826 /nfs/dbraw/zinc/80/68/26/756806826.db2.gz HTHMYZHHIUHGDQ-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CCN1CCC[C@@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000886661094 756818780 /nfs/dbraw/zinc/81/87/80/756818780.db2.gz MGMRHURVSLRPMO-GDBMZVCRSA-N 2 0 263.429 1.404 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001036091071 756832519 /nfs/dbraw/zinc/83/25/19/756832519.db2.gz JZVXWYFVXIFUHT-CABCVRRESA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001041403960 756861108 /nfs/dbraw/zinc/86/11/08/756861108.db2.gz RFAUXGSADJBLJL-ZBFHGGJFSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034385762 756872039 /nfs/dbraw/zinc/87/20/39/756872039.db2.gz NSYHOSZHFHEFIL-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001019820201 756879273 /nfs/dbraw/zinc/87/92/73/756879273.db2.gz ANPSZTYSUIPJMB-KBPBESRZSA-N 2 0 299.846 1.804 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCc2nccn2C)C1 ZINC001019181491 756881738 /nfs/dbraw/zinc/88/17/38/756881738.db2.gz LFVDRQSGEGAAHG-ZDUSSCGKSA-N 2 0 276.384 1.119 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015794470 756882746 /nfs/dbraw/zinc/88/27/46/756882746.db2.gz HHBRMAVEUMBZQC-CABCVRRESA-N 2 0 279.428 1.626 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000923356730 756893321 /nfs/dbraw/zinc/89/33/21/756893321.db2.gz KHUKUFJKHOARMV-CABCVRRESA-N 2 0 252.402 1.635 20 30 CDEDRP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001045555167 757038683 /nfs/dbraw/zinc/03/86/83/757038683.db2.gz YEKUMIUYUATJRX-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C[C@@H](CNC(=[NH2+])N1CCCCCC1)C[NH+]1CCCC1 ZINC000305051916 757085777 /nfs/dbraw/zinc/08/57/77/757085777.db2.gz HTTGTTCHSVXSHP-AWEZNQCLSA-N 2 0 266.433 1.909 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031765746 757092935 /nfs/dbraw/zinc/09/29/35/757092935.db2.gz NVYIVBCONUGLGS-CVEARBPZSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024447430 757180011 /nfs/dbraw/zinc/18/00/11/757180011.db2.gz WKIGTTHHWPYLGI-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001003425033 757207190 /nfs/dbraw/zinc/20/71/90/757207190.db2.gz ZZCODTKSCYBFIH-UHFFFAOYSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001000521833 757367890 /nfs/dbraw/zinc/36/78/90/757367890.db2.gz ONYJIFPLUFZURL-MRXNPFEDSA-N 2 0 291.439 1.795 20 30 CDEDRP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001028538031 757432153 /nfs/dbraw/zinc/43/21/53/757432153.db2.gz XZXJMNFVBGRVDQ-CVEARBPZSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001000083274 757724184 /nfs/dbraw/zinc/72/41/84/757724184.db2.gz URNZWOFVCQWPAB-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCCN1CC(N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001043463758 757810045 /nfs/dbraw/zinc/81/00/45/757810045.db2.gz JKLJXLKTOIVAKJ-MRXNPFEDSA-N 2 0 291.439 1.580 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000996477702 757842852 /nfs/dbraw/zinc/84/28/52/757842852.db2.gz MWGYJTWEHRKFET-GOEBONIOSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995804201 757895879 /nfs/dbraw/zinc/89/58/79/757895879.db2.gz RDKGBHIROFSOTR-CABCVRRESA-N 2 0 293.455 1.872 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027892297 758020483 /nfs/dbraw/zinc/02/04/83/758020483.db2.gz SECGDGUMHACREG-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001036264535 758495982 /nfs/dbraw/zinc/49/59/82/758495982.db2.gz IVCOLXUNLBBCEX-CABCVRRESA-N 2 0 291.439 1.485 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000303891677 758532413 /nfs/dbraw/zinc/53/24/13/758532413.db2.gz NFLDJOKJQQDOGB-KGLIPLIRSA-N 2 0 284.448 1.438 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033229687 758629585 /nfs/dbraw/zinc/62/95/85/758629585.db2.gz VKCWPEBEAUUBJB-CQSZACIVSA-N 2 0 277.412 1.334 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000986479219 758660892 /nfs/dbraw/zinc/66/08/92/758660892.db2.gz FLQIHVOXGIAEJM-DOMZBBRYSA-N 2 0 282.347 1.160 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001052713256 758692422 /nfs/dbraw/zinc/69/24/22/758692422.db2.gz UJZFEWPVIMUGSS-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)Cn3ccnc3C)CCC[C@@H]12 ZINC000992478505 758732900 /nfs/dbraw/zinc/73/29/00/758732900.db2.gz PTLBOHYVIQTQFR-GDBMZVCRSA-N 2 0 288.395 1.491 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001031817468 758808835 /nfs/dbraw/zinc/80/88/35/758808835.db2.gz HNGIUGGMTSZIOZ-UHFFFAOYSA-N 2 0 284.363 1.572 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174949420 913409750 /nfs/dbraw/zinc/40/97/50/913409750.db2.gz RDXISXWPNYWLRD-HNNXBMFYSA-N 2 0 293.455 1.616 20 30 CDEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])Nc1ccccn1 ZINC000176492812 913513942 /nfs/dbraw/zinc/51/39/42/913513942.db2.gz RWOLLKAPDCFDKL-GFCCVEGCSA-N 2 0 279.388 1.165 20 30 CDEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176024914 913904249 /nfs/dbraw/zinc/90/42/49/913904249.db2.gz UKMVUFCDTXMWNQ-CQSZACIVSA-N 2 0 269.433 1.779 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1C ZINC001106433830 913927194 /nfs/dbraw/zinc/92/71/94/913927194.db2.gz SLNIJQVILMFYIA-UKRRQHHQSA-N 2 0 290.411 1.452 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC=C ZINC001024486778 898078155 /nfs/dbraw/zinc/07/81/55/898078155.db2.gz IJZHJFSOMYBOND-HOTGVXAUSA-N 2 0 289.423 1.241 20 30 CDEDRP C=CCOCC[NH2+]CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001176856586 914352319 /nfs/dbraw/zinc/35/23/19/914352319.db2.gz LMYMFOWFVBVKFW-HUUCEWRRSA-N 2 0 297.443 1.158 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176938992 914374763 /nfs/dbraw/zinc/37/47/63/914374763.db2.gz ZCBBJDHSTWMPIE-UHFFFAOYSA-N 2 0 267.417 1.534 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001167784052 900601125 /nfs/dbraw/zinc/60/11/25/900601125.db2.gz KPWYYQZUCMRUDL-UHFFFAOYSA-N 2 0 293.455 1.618 20 30 CDEDRP N#Cc1ccc2ncc(NC(=[NH2+])NCCCC[NH3+])nc2c1 ZINC001167881032 901636446 /nfs/dbraw/zinc/63/64/46/901636446.db2.gz VHQBMPQWFKZIOP-UHFFFAOYSA-N 2 0 283.339 1.177 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001106898388 914854850 /nfs/dbraw/zinc/85/48/50/914854850.db2.gz FTKHVLDKJAKMRS-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1CC ZINC001087711478 905785692 /nfs/dbraw/zinc/78/56/92/905785692.db2.gz GQQCPTIUTBYPIX-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1CC ZINC001087726658 905793505 /nfs/dbraw/zinc/79/35/05/905793505.db2.gz NISUDJAZEQJQIQ-OWCLPIDISA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189400295 921474880 /nfs/dbraw/zinc/47/48/80/921474880.db2.gz JAEKCZQSRXGETD-KGLIPLIRSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001092621047 909479699 /nfs/dbraw/zinc/47/96/99/909479699.db2.gz MBVBWRUZDQVNQE-KLHDSHLOSA-N 2 0 293.455 1.587 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001179586545 915888300 /nfs/dbraw/zinc/88/83/00/915888300.db2.gz PZBAYYHJERACNS-HUUCEWRRSA-N 2 0 281.444 1.636 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179925297 916063252 /nfs/dbraw/zinc/06/32/52/916063252.db2.gz OTBIGTOKWPXPCF-ZNMIVQPWSA-N 2 0 279.428 1.483 20 30 CDEDRP CCCCCCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124867637 936340657 /nfs/dbraw/zinc/34/06/57/936340657.db2.gz WWIBYOQGBLSAAY-CQSZACIVSA-N 2 0 269.433 1.757 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001097851968 936394790 /nfs/dbraw/zinc/39/47/90/936394790.db2.gz NYWXVQAIEQROFP-YJNKXOJESA-N 2 0 277.412 1.236 20 30 CDEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001181884548 917442915 /nfs/dbraw/zinc/44/29/15/917442915.db2.gz GBWNIPFVHSAVGO-IIAWOOMASA-N 2 0 279.428 1.034 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001183758962 918657239 /nfs/dbraw/zinc/65/72/39/918657239.db2.gz BVEPOGKVLQKHCN-CQSZACIVSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001052499305 936583593 /nfs/dbraw/zinc/58/35/93/936583593.db2.gz SUIOPUFXBCQYJB-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185266030 919510279 /nfs/dbraw/zinc/51/02/79/919510279.db2.gz XWDYKUPHYYCMSS-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001185601162 919677970 /nfs/dbraw/zinc/67/79/70/919677970.db2.gz YPBBFLTYNOPKGD-HUUCEWRRSA-N 2 0 279.428 1.321 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001185680645 919724185 /nfs/dbraw/zinc/72/41/85/919724185.db2.gz GDXNQDUMEAAUTD-CVEARBPZSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001186496378 920040237 /nfs/dbraw/zinc/04/02/37/920040237.db2.gz FWXGYZAHLLMZGW-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001187306209 920487124 /nfs/dbraw/zinc/48/71/24/920487124.db2.gz GEPHGMOBYNMBNU-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CCCC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001273545772 920611993 /nfs/dbraw/zinc/61/19/93/920611993.db2.gz DJJWAWDLSNIZBO-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001190945825 922298555 /nfs/dbraw/zinc/29/85/55/922298555.db2.gz FQTJPZXKUFVUID-LSDHHAIUSA-N 2 0 277.412 1.027 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191145519 922444607 /nfs/dbraw/zinc/44/46/07/922444607.db2.gz WEAMARCBQWGKNG-OAHLLOKOSA-N 2 0 291.439 1.724 20 30 CDEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192018454 922877291 /nfs/dbraw/zinc/87/72/91/922877291.db2.gz UXLCVVNTRRBPIK-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192386531 923051744 /nfs/dbraw/zinc/05/17/44/923051744.db2.gz QDSQALDPZWRYCL-GJZGRUSLSA-N 2 0 281.444 1.826 20 30 CDEDRP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193291210 923591392 /nfs/dbraw/zinc/59/13/92/923591392.db2.gz FYZXDWSTPVHVLE-HNNXBMFYSA-N 2 0 297.443 1.064 20 30 CDEDRP N#Cc1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001205663328 924217349 /nfs/dbraw/zinc/21/73/49/924217349.db2.gz HMFMOMOBCDPHNQ-HNNXBMFYSA-N 2 0 259.353 1.234 20 30 CDEDRP C=CCCC[N@H+]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001196163752 924829996 /nfs/dbraw/zinc/82/99/96/924829996.db2.gz UGOPWWRUMDEQSM-UHFFFAOYSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CC[N@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970541 925014433 /nfs/dbraw/zinc/01/44/33/925014433.db2.gz KBPQUITWAXGVCK-UHFFFAOYSA-N 2 0 253.390 1.049 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084232210 925197008 /nfs/dbraw/zinc/19/70/08/925197008.db2.gz WNSHJZNEKATBJE-RBSFLKMASA-N 2 0 277.412 1.189 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)[C@@H]2C1 ZINC001084388741 925247467 /nfs/dbraw/zinc/24/74/67/925247467.db2.gz CQHLPVPBGDEAKS-BZUAXINKSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001084407144 925258277 /nfs/dbraw/zinc/25/82/77/925258277.db2.gz JGSSLUAEHMMIBG-OAGGEKHMSA-N 2 0 291.439 1.435 20 30 CDEDRP CC#CCN1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001084661327 925336231 /nfs/dbraw/zinc/33/62/31/925336231.db2.gz POAGPWIYGWRXDX-BZUAXINKSA-N 2 0 289.423 1.027 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001201259714 926245810 /nfs/dbraw/zinc/24/58/10/926245810.db2.gz DLXIWZCGRACHPY-UHFFFAOYSA-N 2 0 296.374 1.780 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086090398 926687265 /nfs/dbraw/zinc/68/72/65/926687265.db2.gz XWNNHWUXPQFANI-APIJFGDWSA-N 2 0 279.428 1.387 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001086253843 926892551 /nfs/dbraw/zinc/89/25/51/926892551.db2.gz YAYOEJGWYXLRHA-LVQVYYBASA-N 2 0 293.455 1.777 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001086417425 927102969 /nfs/dbraw/zinc/10/29/69/927102969.db2.gz ORLQHTXEGATANR-HDJSIYSDSA-N 2 0 277.412 1.285 20 30 CDEDRP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001103612680 937148883 /nfs/dbraw/zinc/14/88/83/937148883.db2.gz PHKQLZALBFDFBJ-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CCC)C1 ZINC001103663636 937150443 /nfs/dbraw/zinc/15/04/43/937150443.db2.gz LFJPIAUJJPWUFT-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001108830823 928656137 /nfs/dbraw/zinc/65/61/37/928656137.db2.gz YGKWJDFNSYIWIJ-XHSDSOJGSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001108832801 928658532 /nfs/dbraw/zinc/65/85/32/928658532.db2.gz YQIZNDGOXKLESZ-KKUMJFAQSA-N 2 0 279.428 1.482 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCC(C)C)CC1 ZINC001152330469 937354058 /nfs/dbraw/zinc/35/40/58/937354058.db2.gz OJNLORHHBQJNEH-UHFFFAOYSA-N 2 0 279.428 1.084 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134759226 929885612 /nfs/dbraw/zinc/88/56/12/929885612.db2.gz JDJISJMSMVLMCZ-CYBMUJFWSA-N 2 0 287.835 1.708 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135102274 930051189 /nfs/dbraw/zinc/05/11/89/930051189.db2.gz BNWRFTPTAKPNQL-CABCVRRESA-N 2 0 279.428 1.675 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001135804811 930433930 /nfs/dbraw/zinc/43/39/30/930433930.db2.gz PMNZUZCXOXYGLM-ZIAGYGMSSA-N 2 0 297.443 1.156 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153315159 937438706 /nfs/dbraw/zinc/43/87/06/937438706.db2.gz YXVHLELFEOUFRQ-UHFFFAOYSA-N 2 0 281.444 1.925 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153445352 937446076 /nfs/dbraw/zinc/44/60/76/937446076.db2.gz CXQYUPMTAWQZCW-MGPQQGTHSA-N 2 0 267.417 1.339 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001159838918 930961223 /nfs/dbraw/zinc/96/12/23/930961223.db2.gz QSGZPMOMUOTBHR-OAHLLOKOSA-N 2 0 279.428 1.084 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854781 937477635 /nfs/dbraw/zinc/47/76/35/937477635.db2.gz WINHJJLJDBNDTB-CQSZACIVSA-N 2 0 279.428 1.321 20 30 CDEDRP N#Cc1cnc(-n2cc(CC[NH3+])c3c[nH+]ccc32)c(C#N)c1 ZINC001160945599 932242881 /nfs/dbraw/zinc/24/28/81/932242881.db2.gz GHJFSNQORFSDJE-UHFFFAOYSA-N 2 0 288.314 1.665 20 30 CDEDRP C=CC(NCc1ccccc1N1CC[NH2+]CC1)=[NH+]COC ZINC001171282084 932283219 /nfs/dbraw/zinc/28/32/19/932283219.db2.gz ZFBDTUJWBIZDAE-UHFFFAOYSA-N 2 0 288.395 1.374 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148057064 932643495 /nfs/dbraw/zinc/64/34/95/932643495.db2.gz DWFPLGGIWKUQPY-UHFFFAOYSA-N 2 0 276.384 1.433 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@]2(C)C1 ZINC001091788398 932882258 /nfs/dbraw/zinc/88/22/58/932882258.db2.gz YMEDBBJRAFXZOM-INMHGKMJSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959132 933201515 /nfs/dbraw/zinc/20/15/15/933201515.db2.gz FMAOLBLDGDLCIZ-MCIONIFRSA-N 2 0 265.401 1.236 20 30 CDEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750438 934952928 /nfs/dbraw/zinc/95/29/28/934952928.db2.gz IBXRXYHWBODJNF-LJIGWXMPSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157702549 938534465 /nfs/dbraw/zinc/53/44/65/938534465.db2.gz XABWDANPZYNXHZ-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199134 938593917 /nfs/dbraw/zinc/59/39/17/938593917.db2.gz NGTRQUWHMRTSJE-MELADBBJSA-N 2 0 265.401 1.413 20 30 CDEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158866567 938673540 /nfs/dbraw/zinc/67/35/40/938673540.db2.gz RJSMLXISCVRYKI-JKSUJKDBSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159853713 938757309 /nfs/dbraw/zinc/75/73/09/938757309.db2.gz JGTJBRKDJVJUBH-UHFFFAOYSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N(C)C[C@H]1CCC[NH2+]C1 ZINC001160695092 938814894 /nfs/dbraw/zinc/81/48/94/938814894.db2.gz IEDKGMMHXAZATH-GJZGRUSLSA-N 2 0 281.444 1.908 20 30 CDEDRP CN(C)/C=[NH+]/c1ccc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cc1C#N ZINC001163146010 939212714 /nfs/dbraw/zinc/21/27/14/939212714.db2.gz FAVFIXBVGNHDJU-HNHZIDDWSA-N 2 0 299.378 1.178 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001165501893 939567824 /nfs/dbraw/zinc/56/78/24/939567824.db2.gz REERQQPLUMRVGN-UHFFFAOYSA-N 2 0 291.439 1.370 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001166690462 939626836 /nfs/dbraw/zinc/62/68/36/939626836.db2.gz BBHZTFURCKXVHF-ZIAGYGMSSA-N 2 0 267.417 1.246 20 30 CDEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001204793298 939791477 /nfs/dbraw/zinc/79/14/77/939791477.db2.gz DWPADOGVRCTZKU-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP CSc1nc(C[NH+]2CCC(C[NH3+])CC2)ccc1C#N ZINC001205041512 939817371 /nfs/dbraw/zinc/81/73/71/939817371.db2.gz VOLISRPIRCBTJF-UHFFFAOYSA-N 2 0 276.409 1.846 20 30 CDEDRP C=C/C(=[NH+]\COC)c1ccc(N2CC[NH2+]CC2)cc1 ZINC001205538298 939898123 /nfs/dbraw/zinc/89/81/23/939898123.db2.gz GSSHEJCCDFZOQZ-BMRADRMJSA-N 2 0 259.353 1.675 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001206954382 940117371 /nfs/dbraw/zinc/11/73/71/940117371.db2.gz HAKIXBQWYWOJOL-UHFFFAOYSA-N 2 0 279.428 1.178 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207688676 940231315 /nfs/dbraw/zinc/23/13/15/940231315.db2.gz RQYRYHIXVHLGRB-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001208423163 940329209 /nfs/dbraw/zinc/32/92/09/940329209.db2.gz FZQGBFJOSYKRQU-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211229148 940740792 /nfs/dbraw/zinc/74/07/92/940740792.db2.gz PCLHKYXSIHZWKO-OAHLLOKOSA-N 2 0 277.412 1.076 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214648216 940834298 /nfs/dbraw/zinc/83/42/98/940834298.db2.gz CEOVSQXMCBYCSQ-FVQBIDKESA-N 2 0 291.439 1.341 20 30 CDEDRP C[C@@H](CNC(=O)NCC#CC[NH+](C)C)[N@@H+]1CCCC[C@@H]1C ZINC001220627302 941460447 /nfs/dbraw/zinc/46/04/47/941460447.db2.gz XKQFXTFMRWVKQB-GJZGRUSLSA-N 2 0 294.443 1.114 20 30 CDEDRP C[C@@H]([NH3+])C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001220643452 941461184 /nfs/dbraw/zinc/46/11/84/941461184.db2.gz FSHMEWMUTLDICG-CYBMUJFWSA-N 2 0 286.379 1.008 20 30 CDEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)N(CC[NH3+])Cc1ccc(CC)cc1 ZINC001220902899 941485158 /nfs/dbraw/zinc/48/51/58/941485158.db2.gz FBWGSAGTHDCVAK-NVXWUHKLSA-N 2 0 287.407 1.440 20 30 CDEDRP C=CC[C@@H](NC(=O)[C@@H]1C[C@@H]([NH3+])CN1)c1ccccc1 ZINC001221360248 941521703 /nfs/dbraw/zinc/52/17/03/941521703.db2.gz HSUNBVNTAPZJQD-MCIONIFRSA-N 2 0 259.353 1.109 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791536 941551379 /nfs/dbraw/zinc/55/13/79/941551379.db2.gz QLYHJFMUNZPVLK-ZIAGYGMSSA-N 2 0 265.401 1.047 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001224260841 941735788 /nfs/dbraw/zinc/73/57/88/941735788.db2.gz LEFRHNOGDKLZLL-UHFFFAOYSA-N 2 0 291.439 1.180 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001225168191 941827428 /nfs/dbraw/zinc/82/74/28/941827428.db2.gz PJQVRTUGQYZREA-MRXNPFEDSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+](CC)CC ZINC001229214410 942434498 /nfs/dbraw/zinc/43/44/98/942434498.db2.gz QLIRYUSICLCEFD-HUUCEWRRSA-N 2 0 281.444 1.921 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001316606287 942493122 /nfs/dbraw/zinc/49/31/22/942493122.db2.gz NLCPYMRNWNJJHJ-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001263097227 943742486 /nfs/dbraw/zinc/74/24/86/943742486.db2.gz PLVSANKKVPGSCO-ZDUSSCGKSA-N 2 0 267.417 1.613 20 30 CDEDRP CCCCCCCC[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235051735 944024887 /nfs/dbraw/zinc/02/48/87/944024887.db2.gz AMEZNZUSVHNODM-HNNXBMFYSA-N 2 0 253.434 1.984 20 30 CDEDRP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](CCCC[NH3+])CCO2 ZINC001235608145 944218733 /nfs/dbraw/zinc/21/87/33/944218733.db2.gz FENAREIIESWMDC-JKSUJKDBSA-N 2 0 282.428 1.799 20 30 CDEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CCCC[NH3+])C2 ZINC001235633564 944222062 /nfs/dbraw/zinc/22/20/62/944222062.db2.gz RDNCJADQMJRABY-LSDHHAIUSA-N 2 0 268.401 1.551 20 30 CDEDRP CCCCCCCCC[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235864112 944301679 /nfs/dbraw/zinc/30/16/79/944301679.db2.gz DGPJQOOZIUUSCF-UHFFFAOYSA-N 2 0 298.519 1.821 20 30 CDEDRP N#Cc1cc(C2=CC[NH2+]C2)ccc1OC1CC[NH2+]CC1 ZINC001243111339 947021040 /nfs/dbraw/zinc/02/10/40/947021040.db2.gz DVFGXQZBSOQKIM-UHFFFAOYSA-N 2 0 269.348 1.676 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])N[C@@H]1CC[C@H](C#N)C1 ZINC001254654857 947575752 /nfs/dbraw/zinc/57/57/52/947575752.db2.gz XQILUVILJXEWLP-NWDGAFQWSA-N 2 0 251.378 1.134 20 30 CDEDRP C[NH+]1CCN(C2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC001254664294 947581736 /nfs/dbraw/zinc/58/17/36/947581736.db2.gz HBFUMXNUIDMJKG-ZBFHGGJFSA-N 2 0 276.428 1.390 20 30 CDEDRP N#CCC1CCC([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246474942 948192894 /nfs/dbraw/zinc/19/28/94/948192894.db2.gz CKYILXPRRKGQRX-YIOUJQMASA-N 2 0 253.365 1.996 20 30 CDEDRP N#CCCC[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256686618 948394716 /nfs/dbraw/zinc/39/47/16/948394716.db2.gz RCFUVUVWUATTFU-UHFFFAOYSA-N 2 0 251.374 1.523 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cccc(C#N)c1F ZINC001249685093 949752949 /nfs/dbraw/zinc/75/29/49/949752949.db2.gz CFHAJQICDIGNQS-UHFFFAOYSA-N 2 0 292.402 1.623 20 30 CDEDRP C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)N1CC[NH+](C)CC1 ZINC001364600246 954872053 /nfs/dbraw/zinc/87/20/53/954872053.db2.gz VCCKNHYPYONGQY-FHERZECASA-N 2 0 278.444 1.684 20 30 CDEDRP CCc1cccc(OC[C@@H](O)C[NH2+]CC#CC[NH+](C)C)c1 ZINC001335969424 960129581 /nfs/dbraw/zinc/12/95/81/960129581.db2.gz UDNXYRUXSHVYEX-INIZCTEOSA-N 2 0 290.407 1.143 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001438508636 963471138 /nfs/dbraw/zinc/47/11/38/963471138.db2.gz ZBGJLCXKKIYJHF-WCQYABFASA-N 2 0 287.835 1.565 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC001354319512 968640396 /nfs/dbraw/zinc/64/03/96/968640396.db2.gz UFIFVTGTHHVDRN-CHWSQXEVSA-N 2 0 253.390 1.271 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637466 968841450 /nfs/dbraw/zinc/84/14/50/968841450.db2.gz SKJCJGDMYLIECB-WLYUNCDWSA-N 2 0 281.444 1.777 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001100669368 968911947 /nfs/dbraw/zinc/91/19/47/968911947.db2.gz WCSOQRHOZWAUDQ-GPANFISMSA-N 2 0 293.455 1.615 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001374981001 974200464 /nfs/dbraw/zinc/20/04/64/974200464.db2.gz AHCBWWATYXJUGQ-ZDUSSCGKSA-N 2 0 287.835 1.709 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001376297673 974624937 /nfs/dbraw/zinc/62/49/37/974624937.db2.gz GPBZUEBVPCUSCB-CYBMUJFWSA-N 2 0 299.846 1.565 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001376748274 974753400 /nfs/dbraw/zinc/75/34/00/974753400.db2.gz CLHRHYHJQUKMTF-GFCCVEGCSA-N 2 0 285.819 1.462 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001407112595 976560106 /nfs/dbraw/zinc/56/01/06/976560106.db2.gz DFHTXMBSGUGAQM-AWEZNQCLSA-N 2 0 299.846 1.661 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132518697 1163337918 /nfs/dbraw/zinc/33/79/18/1163337918.db2.gz MVZFFCMLPUFSNO-GJZGRUSLSA-N 2 0 281.444 1.872 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001133074149 1163551501 /nfs/dbraw/zinc/55/15/01/1163551501.db2.gz YNAMDDDUGZMMBZ-HOTGVXAUSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133419553 1163685497 /nfs/dbraw/zinc/68/54/97/1163685497.db2.gz RTEJXAZUXTUGPP-ZIAGYGMSSA-N 2 0 269.433 1.633 20 30 CDEDRP C=CC1(CC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)C[NH2+]C1 ZINC001574880775 1171036294 /nfs/dbraw/zinc/03/62/94/1171036294.db2.gz RXNGQYDPDNAPTG-ZIAGYGMSSA-N 2 0 279.428 1.389 20 30 CDEDRP C[N@@H+]1CCN(CC[NH2+]CC(C)(C)CCC#N)CC1(C)C ZINC000441342661 362001782 /nfs/dbraw/zinc/00/17/82/362001782.db2.gz DIRCTLLXRRALRS-UHFFFAOYSA-N 2 0 280.460 1.932 20 30 CDEDRP CN(CCC[NH2+]Cc1cc(C#N)cs1)CC[NH+](C)C ZINC000598918652 343926178 /nfs/dbraw/zinc/92/61/78/343926178.db2.gz RHQLSSGZHPLLAI-UHFFFAOYSA-N 2 0 280.441 1.593 20 30 CDEDRP C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000602652449 344516554 /nfs/dbraw/zinc/51/65/54/344516554.db2.gz LDFLKVMHZSZWLF-CVEARBPZSA-N 2 0 279.428 1.970 20 30 CDEDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000618562110 344998241 /nfs/dbraw/zinc/99/82/41/344998241.db2.gz ZDLHFHMGJCGETK-HUUCEWRRSA-N 2 0 278.444 1.684 20 30 CDEDRP C[NH+](C)C1CCC([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602697303 350141528 /nfs/dbraw/zinc/14/15/28/350141528.db2.gz JTUBJSIWSICTQC-UHFFFAOYSA-N 2 0 258.369 1.916 20 30 CDEDRP CCCCNC(=[NH2+])NCc1ccc(OCC[NH+](C)C)cc1 ZINC000264062221 362955479 /nfs/dbraw/zinc/95/54/79/362955479.db2.gz DBGAQQMCOWCBQH-UHFFFAOYSA-N 2 0 292.427 1.831 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(NCc1ccco1)=[NH+]C ZINC000264072513 362957763 /nfs/dbraw/zinc/95/77/63/362957763.db2.gz SCOKBXNPIOTQPK-GFCCVEGCSA-N 2 0 264.373 1.429 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(O)c1 ZINC000264079360 362960616 /nfs/dbraw/zinc/96/06/16/362960616.db2.gz IFDZDILQWXVMEC-CYBMUJFWSA-N 2 0 276.384 1.281 20 30 CDEDRP CCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000267391227 370933504 /nfs/dbraw/zinc/93/35/04/370933504.db2.gz CWOHOBLGDXYBRU-HNNXBMFYSA-N 2 0 274.412 1.965 20 30 CDEDRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(C#N)c1 ZINC000423200214 245659711 /nfs/dbraw/zinc/65/97/11/245659711.db2.gz DYEDDOXVUNLRAS-ZDUSSCGKSA-N 2 0 258.369 1.114 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000630944510 373447037 /nfs/dbraw/zinc/44/70/37/373447037.db2.gz VLCXAWUXRWEOSA-LSDHHAIUSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)C[N@@H+](CC)C2CC2)CC1 ZINC000152284476 374998863 /nfs/dbraw/zinc/99/88/63/374998863.db2.gz TVRZTFKQXSDAQI-UHFFFAOYSA-N 2 0 279.428 1.627 20 30 CDEDRP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1C#N ZINC000189587647 377335152 /nfs/dbraw/zinc/33/51/52/377335152.db2.gz WHXUCGJUSATBBX-LBPRGKRZSA-N 2 0 258.369 1.471 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000417521553 377817826 /nfs/dbraw/zinc/81/78/26/377817826.db2.gz FNTXGUUARKGRAC-INIZCTEOSA-N 2 0 294.443 1.326 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC([NH3+])(CC)CC)CC1 ZINC000417546506 377935219 /nfs/dbraw/zinc/93/52/19/377935219.db2.gz ZYDUTNCSYLMPLQ-UHFFFAOYSA-N 2 0 296.459 1.844 20 30 CDEDRP C=C[C@H](CO)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000352473877 391150530 /nfs/dbraw/zinc/15/05/30/391150530.db2.gz YYMLOBUKKHBIOE-CYBMUJFWSA-N 2 0 258.325 1.212 20 30 CDEDRP COc1ccccc1CNC(=[NH2+])NCC1=CC[N@H+](C)CC1 ZINC000271785908 391304371 /nfs/dbraw/zinc/30/43/71/391304371.db2.gz HTUXKWWUVCROSU-UHFFFAOYSA-N 2 0 288.395 1.361 20 30 CDEDRP C[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N(C)Cc1ccon1 ZINC000261860487 391717169 /nfs/dbraw/zinc/71/71/69/391717169.db2.gz ZGTADCDGYFPRBS-GFCCVEGCSA-N 2 0 291.399 1.166 20 30 CDEDRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191300993 130218879 /nfs/dbraw/zinc/21/88/79/130218879.db2.gz BVVCPVDWMUVYHR-OAHLLOKOSA-N 2 0 278.400 1.343 20 30 CDEDRP C[NH+]=C(NCc1cccn1C)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000262754012 391818494 /nfs/dbraw/zinc/81/84/94/391818494.db2.gz AMFYEYIFRAEIQC-OLZOCXBDSA-N 2 0 289.427 1.315 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]([NH3+])C(C)C)C(C)C ZINC000269241241 132140052 /nfs/dbraw/zinc/14/00/52/132140052.db2.gz RDSQOPGZWCUQQZ-LSDHHAIUSA-N 2 0 281.444 1.785 20 30 CDEDRP COC[C@@H](CCC[NH3+])[NH2+]CCc1cccc(C#N)c1 ZINC000423112014 392958099 /nfs/dbraw/zinc/95/80/99/392958099.db2.gz XCRLLPXRGIYZRB-OAHLLOKOSA-N 2 0 261.369 1.444 20 30 CDEDRP COc1cc(C[NH+]2CCC(C[NH3+])CC2)ccc1C#N ZINC000234962836 140233172 /nfs/dbraw/zinc/23/31/72/140233172.db2.gz LYXIQVCQKZWZIN-UHFFFAOYSA-N 2 0 259.353 1.738 20 30 CDEDRP COc1cc(CN2CC[C@@H]([NH3+])[C@H](C)C2)ccc1C#N ZINC000261566346 140350031 /nfs/dbraw/zinc/35/00/31/140350031.db2.gz GSWFXIGJKQUWFD-BXUZGUMPSA-N 2 0 259.353 1.736 20 30 CDEDRP C=CCCn1cc(C[NH2+]CCC2CC[NH+](C)CC2)nn1 ZINC000657348386 414210998 /nfs/dbraw/zinc/21/09/98/414210998.db2.gz UKXWSHGDIDEUAI-UHFFFAOYSA-N 2 0 277.416 1.676 20 30 CDEDRP CC(C)(CNC(=[NH2+])NC1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000264095928 262870063 /nfs/dbraw/zinc/87/00/63/262870063.db2.gz MPCMIXVJDGECAO-UHFFFAOYSA-N 2 0 286.423 1.890 20 30 CDEDRP CC[NH+](CC)[C@H](CNC1=[NH+]C[C@H](C)N1)Cc1ccccc1 ZINC000285161455 263090839 /nfs/dbraw/zinc/09/08/39/263090839.db2.gz SLEDEPGNDBYCQK-HOCLYGCPSA-N 2 0 288.439 1.877 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCS[C@H](CC)C1 ZINC000124219330 263821242 /nfs/dbraw/zinc/82/12/42/263821242.db2.gz MDGHSFZCHGAYJN-UONOGXRCSA-N 2 0 298.500 1.731 20 30 CDEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000305208539 267900341 /nfs/dbraw/zinc/90/03/41/267900341.db2.gz OWFRVTXLPAGTGY-LSDHHAIUSA-N 2 0 295.475 1.105 20 30 CDEDRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000020128432 276926569 /nfs/dbraw/zinc/92/65/69/276926569.db2.gz QFFMVIBEMLEDMY-UHFFFAOYSA-N 2 0 272.396 1.285 20 30 CDEDRP C=C(C)C[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000181278325 329229246 /nfs/dbraw/zinc/22/92/46/329229246.db2.gz TVYWCRVYZFFYKB-UHFFFAOYSA-N 2 0 267.417 1.483 20 30 CDEDRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC2=[NH+]CCN2C)C1 ZINC000262475916 330016127 /nfs/dbraw/zinc/01/61/27/330016127.db2.gz CBOFLQULDPSJJG-BETUJISGSA-N 2 0 266.433 1.634 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCOC[C@H]1C ZINC000262638567 330023986 /nfs/dbraw/zinc/02/39/86/330023986.db2.gz HGVOBWOZIBPHAA-HZSPNIEDSA-N 2 0 282.432 1.048 20 30 CDEDRP C[C@H]1CCCN(C(=[NH2+])NCC[N@@H+]2CCCC2(C)C)C1 ZINC000263055083 330041027 /nfs/dbraw/zinc/04/10/27/330041027.db2.gz DVLXGXZDSYMKMJ-ZDUSSCGKSA-N 2 0 266.433 1.907 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(O)CCCC1(C)C ZINC000263209192 330049187 /nfs/dbraw/zinc/04/91/87/330049187.db2.gz YTZXRHBAMIKTMK-BBRMVZONSA-N 2 0 296.459 1.316 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423098865 330170178 /nfs/dbraw/zinc/17/01/78/330170178.db2.gz SSNMSCQECJIJTO-WQKZHXONSA-N 2 0 250.386 1.840 20 30 CDEDRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424136307 330272347 /nfs/dbraw/zinc/27/23/47/330272347.db2.gz AHOKYEKEHZRNCY-ZIAGYGMSSA-N 2 0 280.416 1.198 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000424189390 330322294 /nfs/dbraw/zinc/32/22/94/330322294.db2.gz KOGNDDAURAEMBB-OAHLLOKOSA-N 2 0 292.427 1.484 20 30 CDEDRP CC(C)[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)N1CC[NH+](C)CC1 ZINC000442723098 330780890 /nfs/dbraw/zinc/78/08/90/330780890.db2.gz WTWUDDLVOQGFMR-PMPSAXMXSA-N 2 0 278.444 1.540 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)OCC[NH+](CC)CC)CC1 ZINC000490854242 332121212 /nfs/dbraw/zinc/12/12/12/332121212.db2.gz YVYHBCWKBQJFGG-UHFFFAOYSA-N 2 0 266.385 1.217 20 30 CDEDRP C#CCNC(=O)CC[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000491655636 332267905 /nfs/dbraw/zinc/26/79/05/332267905.db2.gz AHDCKHNWGQUDBR-HUUCEWRRSA-N 2 0 279.428 1.084 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001754914898 1159487111 /nfs/dbraw/zinc/48/71/11/1159487111.db2.gz OOIHZCHSDDQEBJ-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP COCC#CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000677481008 482501223 /nfs/dbraw/zinc/50/12/23/482501223.db2.gz ZKZBWDYQRGUHKF-UHFFFAOYSA-N 2 0 280.412 1.213 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1([NH+](C)C)CC1)C(C)C ZINC000668683163 482501947 /nfs/dbraw/zinc/50/19/47/482501947.db2.gz SMQZROIYZSOALM-HNNXBMFYSA-N 2 0 293.455 1.895 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417519783 482593396 /nfs/dbraw/zinc/59/33/96/482593396.db2.gz AXZKPLYFSSBZIO-GXTWGEPZSA-N 2 0 280.416 1.206 20 30 CDEDRP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001755315484 1185912705 /nfs/dbraw/zinc/91/27/05/1185912705.db2.gz RGDINLDXMRIZOQ-LSDHHAIUSA-N 2 0 281.444 1.567 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001113495841 1162195288 /nfs/dbraw/zinc/19/52/88/1162195288.db2.gz ZTCIRMIDTLEQGO-UHFFFAOYSA-N 2 0 267.417 1.439 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000334906750 526430071 /nfs/dbraw/zinc/43/00/71/526430071.db2.gz LSUGYCGMWPSFBU-CHWSQXEVSA-N 2 0 280.416 1.029 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)CC1 ZINC000334904875 526586495 /nfs/dbraw/zinc/58/64/95/526586495.db2.gz AKJSNGKMQAVZTN-KGLIPLIRSA-N 2 0 294.443 1.419 20 30 CDEDRP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350918583 528691243 /nfs/dbraw/zinc/69/12/43/528691243.db2.gz MBVOGHUROJNBNM-CQSZACIVSA-N 2 0 294.443 1.268 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCc1cn2cccc(C)c2n1 ZINC000764506252 575055019 /nfs/dbraw/zinc/05/50/19/575055019.db2.gz WRCKIDCYOPKDCG-UHFFFAOYSA-N 2 0 272.352 1.377 20 30 CDEDRP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000981194693 612957155 /nfs/dbraw/zinc/95/71/55/612957155.db2.gz MODCNFDIANLHCI-HUUCEWRRSA-N 2 0 289.423 1.265 20 30 CDEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000970161976 612995269 /nfs/dbraw/zinc/99/52/69/612995269.db2.gz IAXWGJRRJJEOSB-CYBMUJFWSA-N 2 0 296.374 1.408 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000971844821 613091781 /nfs/dbraw/zinc/09/17/81/613091781.db2.gz RVDXVJPHBASSBI-HOTGVXAUSA-N 2 0 291.439 1.273 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000971201498 613290413 /nfs/dbraw/zinc/29/04/13/613290413.db2.gz OKYDBNJBWOFABT-UONOGXRCSA-N 2 0 265.401 1.189 20 30 CDEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000970326552 613299710 /nfs/dbraw/zinc/29/97/10/613299710.db2.gz UMLJDPGITABAIH-ZNMIVQPWSA-N 2 0 293.455 1.729 20 30 CDEDRP C=C(C)C[NH+]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977453610 613341475 /nfs/dbraw/zinc/34/14/75/613341475.db2.gz OGZIWXQFBIOIRN-GJZGRUSLSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000969066146 613348048 /nfs/dbraw/zinc/34/80/48/613348048.db2.gz KDSGYHFKYBKLPS-OAHLLOKOSA-N 2 0 291.439 1.629 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000967925337 613385479 /nfs/dbraw/zinc/38/54/79/613385479.db2.gz NWPKQCOBRJKOSC-VXGBXAGGSA-N 2 0 271.792 1.024 20 30 CDEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000969676969 613483183 /nfs/dbraw/zinc/48/31/83/613483183.db2.gz KNSYDKFRUQEWHC-CJNGLKHVSA-N 2 0 291.439 1.341 20 30 CDEDRP C=CCC[N@H+]1CCCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000982705662 613493015 /nfs/dbraw/zinc/49/30/15/613493015.db2.gz HAIJOOPHJFGCMB-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975052832 613543962 /nfs/dbraw/zinc/54/39/62/613543962.db2.gz RSVFVSIWMATDJH-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975029577 613544368 /nfs/dbraw/zinc/54/43/68/613544368.db2.gz BYJWAYARPAPEML-LSDHHAIUSA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000969144806 613545800 /nfs/dbraw/zinc/54/58/00/613545800.db2.gz UKIQVEDUSYKXQL-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC000961180557 613566182 /nfs/dbraw/zinc/56/61/82/613566182.db2.gz FCFHAEPKSQKYBU-ZSHCYNCHSA-N 2 0 296.374 1.570 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948038772 613597576 /nfs/dbraw/zinc/59/75/76/613597576.db2.gz BKZNSMCRZKLAHY-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970528187 613669192 /nfs/dbraw/zinc/66/91/92/613669192.db2.gz CRQDEGKLSQUEOS-GOEBONIOSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[NH+]1CCCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC000982012293 613678497 /nfs/dbraw/zinc/67/84/97/613678497.db2.gz UZIHAVNKRYOTLD-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967707664 613771901 /nfs/dbraw/zinc/77/19/01/613771901.db2.gz KSYVWXYSHLCBOY-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967265876 613773952 /nfs/dbraw/zinc/77/39/52/613773952.db2.gz XVNVTUDWCUEVBI-XJKSGUPXSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000970498427 613867689 /nfs/dbraw/zinc/86/76/89/613867689.db2.gz BCEBLHVYBUPKHW-GFCCVEGCSA-N 2 0 274.368 1.138 20 30 CDEDRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])N2CCOCC2)C1 ZINC000104178931 618055634 /nfs/dbraw/zinc/05/56/34/618055634.db2.gz MLKTZXKLEINTKO-ZDUSSCGKSA-N 2 0 282.432 1.144 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOC1CCCC1 ZINC000104182582 618081794 /nfs/dbraw/zinc/08/17/94/618081794.db2.gz ZDGHABMONOEBAB-CQSZACIVSA-N 2 0 296.459 1.724 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000911699291 629423560 /nfs/dbraw/zinc/42/35/60/629423560.db2.gz PEXULNRLVRNVTI-STQMWFEESA-N 2 0 255.406 1.542 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C1 ZINC000911737549 629458019 /nfs/dbraw/zinc/45/80/19/629458019.db2.gz CJPBEASDNSNJIE-QWHCGFSZSA-N 2 0 255.406 1.624 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000911825995 629554398 /nfs/dbraw/zinc/55/43/98/629554398.db2.gz PLNJVLAPKFNYNC-AVGNSLFASA-N 2 0 253.390 1.256 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000911841357 629570128 /nfs/dbraw/zinc/57/01/28/629570128.db2.gz QLQLVSVEDRNUFE-OAHLLOKOSA-N 2 0 279.428 1.661 20 30 CDEDRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001130297808 1162596609 /nfs/dbraw/zinc/59/66/09/1162596609.db2.gz SJZJYNNAPYRQEI-KRWDZBQOSA-N 2 0 299.418 1.228 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130558874 1162664131 /nfs/dbraw/zinc/66/41/31/1162664131.db2.gz SIOYCRQDTBXVQR-UHFFFAOYSA-N 2 0 290.411 1.580 20 30 CDEDRP C=CC[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130615778 1162675590 /nfs/dbraw/zinc/67/55/90/1162675590.db2.gz QPEZZNLCAYDZJT-UHFFFAOYSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001690356665 1175447276 /nfs/dbraw/zinc/44/72/76/1175447276.db2.gz QWFCRIIVDHOLHW-XQQFMLRXSA-N 2 0 253.390 1.140 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815700 1163068622 /nfs/dbraw/zinc/06/86/22/1163068622.db2.gz PWJNYGRJIOESHT-UHFFFAOYSA-N 2 0 279.428 1.370 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001106340378 1161145809 /nfs/dbraw/zinc/14/58/09/1161145809.db2.gz VBYHRFZCYNXATO-HUUCEWRRSA-N 2 0 293.455 1.424 20 30 CDEDRP C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001109466051 1162033740 /nfs/dbraw/zinc/03/37/40/1162033740.db2.gz HLIAATLKVQXWEC-RDBSUJKOSA-N 2 0 277.412 1.071 20 30 CDEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132277401 1163225741 /nfs/dbraw/zinc/22/57/41/1163225741.db2.gz GRYAERREPOCHIJ-GJZGRUSLSA-N 2 0 297.443 1.110 20 30 CDEDRP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132518699 1163339025 /nfs/dbraw/zinc/33/90/25/1163339025.db2.gz MVZFFCMLPUFSNO-LSDHHAIUSA-N 2 0 281.444 1.872 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132995008 1163532166 /nfs/dbraw/zinc/53/21/66/1163532166.db2.gz JUOQBXLXDWHZPG-UHFFFAOYSA-N 2 0 281.444 1.780 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086699942 1163571543 /nfs/dbraw/zinc/57/15/43/1163571543.db2.gz OIJMYQBLOGRVTI-QKPAOTATSA-N 2 0 293.455 1.777 20 30 CDEDRP C=CCC[C@H](O)CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001252604027 1164573474 /nfs/dbraw/zinc/57/34/74/1164573474.db2.gz LFELUMRRAOEGHS-KRWDZBQOSA-N 2 0 295.471 1.273 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001114412068 1164914023 /nfs/dbraw/zinc/91/40/23/1164914023.db2.gz PQUIOMWXHMLEBO-FOLVSLTJSA-N 2 0 277.412 1.093 20 30 CDEDRP CC[N@H+](CCN1CC[NH2+]CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC001577722880 1171727522 /nfs/dbraw/zinc/72/75/22/1171727522.db2.gz QDTPDZJXQPBGEZ-HNNXBMFYSA-N 2 0 286.423 1.846 20 30 CDEDRP C[N@H+](CCOCC[NH3+])Cc1ccc(C2(C#N)CC2)cc1 ZINC001578477175 1171930737 /nfs/dbraw/zinc/93/07/37/1171930737.db2.gz INOLRLFBHIGLKB-UHFFFAOYSA-N 2 0 273.380 1.649 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001661615085 1172417149 /nfs/dbraw/zinc/41/71/49/1172417149.db2.gz WYKRJRMTMOHXKV-MJBXVCDLSA-N 2 0 267.417 1.386 20 30 CDEDRP C#CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001662801083 1172596649 /nfs/dbraw/zinc/59/66/49/1172596649.db2.gz CHIMHXJRPAHSAH-QGZVFWFLSA-N 2 0 299.418 1.162 20 30 CDEDRP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001671804353 1173714092 /nfs/dbraw/zinc/71/40/92/1173714092.db2.gz AHQGUUPMVIJSID-WBVHZDCISA-N 2 0 293.455 1.424 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001731384207 1182347354 /nfs/dbraw/zinc/34/73/54/1182347354.db2.gz CCDKUJNHWNATBC-KBPBESRZSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001752789683 1184913457 /nfs/dbraw/zinc/91/34/57/1184913457.db2.gz INYJTYKEHDLJBS-CQSZACIVSA-N 2 0 265.401 1.096 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001752940283 1184972383 /nfs/dbraw/zinc/97/23/83/1184972383.db2.gz JXDZKBPQRVQSAR-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001752959891 1184976387 /nfs/dbraw/zinc/97/63/87/1184976387.db2.gz YKKNJEZZVJPPJC-CYBMUJFWSA-N 2 0 288.395 1.149 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001753447977 1185213446 /nfs/dbraw/zinc/21/34/46/1185213446.db2.gz KSBJUHVFVAOMTD-OAHLLOKOSA-N 2 0 279.428 1.274 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@H]21 ZINC001753874680 1185376087 /nfs/dbraw/zinc/37/60/87/1185376087.db2.gz AKHATCXNMVMRIT-HZPDHXFCSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]21 ZINC001753877058 1185376136 /nfs/dbraw/zinc/37/61/36/1185376136.db2.gz YHDAYWIMRJCAHS-CVEARBPZSA-N 2 0 293.455 1.827 20 30 CDEDRP CC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001754179629 1185495282 /nfs/dbraw/zinc/49/52/82/1185495282.db2.gz LUWOOUKXQPMNGS-XITLMJRVSA-N 2 0 291.439 1.535 20 30 CDEDRP C#CCC[NH2+]C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001754288943 1185552940 /nfs/dbraw/zinc/55/29/40/1185552940.db2.gz KWIMISNIQFSQKH-AWEZNQCLSA-N 2 0 287.407 1.479 20 30 CDEDRP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001754321708 1185575385 /nfs/dbraw/zinc/57/53/85/1185575385.db2.gz QAWKJOCUKSQJFN-HOTGVXAUSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001754710574 1185712005 /nfs/dbraw/zinc/71/20/05/1185712005.db2.gz INDLXJCWCCKDBU-GOEBONIOSA-N 2 0 279.428 1.342 20 30 CDEDRP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001754711134 1185712032 /nfs/dbraw/zinc/71/20/32/1185712032.db2.gz VCENYXNXUJYJSK-QGZVFWFLSA-N 2 0 293.455 1.570 20 30 CDEDRP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001755268753 1185883343 /nfs/dbraw/zinc/88/33/43/1185883343.db2.gz GZLZYHZHOWWXRN-HOTGVXAUSA-N 2 0 293.455 1.759 20 30 CDEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001755587850 1186004063 /nfs/dbraw/zinc/00/40/63/1186004063.db2.gz LXTJJACHFXEGLB-GJZGRUSLSA-N 2 0 279.428 1.319 20 30 CDEDRP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001755587452 1186004295 /nfs/dbraw/zinc/00/42/95/1186004295.db2.gz DEJDZENDHPACBO-KGLIPLIRSA-N 2 0 267.417 1.482 20 30 CDEDRP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001755603494 1186008188 /nfs/dbraw/zinc/00/81/88/1186008188.db2.gz CFSNDPOFOOANOG-ZIAGYGMSSA-N 2 0 267.417 1.177 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001755676507 1186033987 /nfs/dbraw/zinc/03/39/87/1186033987.db2.gz QFNVLBAYWSCHLM-KBPBESRZSA-N 2 0 279.428 1.626 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+](CC)C1 ZINC000303896783 1186581738 /nfs/dbraw/zinc/58/17/38/1186581738.db2.gz UUKGVTCWEPCHFU-HUUCEWRRSA-N 3 0 295.475 1.107 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001044820986 758865165 /nfs/dbraw/zinc/86/51/65/758865165.db2.gz DYDRHZZWMCFPTM-HUUCEWRRSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001000101469 770468534 /nfs/dbraw/zinc/46/85/34/770468534.db2.gz FFKINQUFWVXFPH-LSDHHAIUSA-N 2 0 281.444 1.729 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015999399 770975169 /nfs/dbraw/zinc/97/51/69/770975169.db2.gz VBRCWEVWNDYEEE-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NCCC[N@H+](C)C1CCCCC1 ZINC000303891250 768835282 /nfs/dbraw/zinc/83/52/82/768835282.db2.gz MXTZVVZVRIFYIH-CYBMUJFWSA-N 2 0 284.448 1.580 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999052465 768872264 /nfs/dbraw/zinc/87/22/64/768872264.db2.gz XFQLCJOKDUUOQW-UHFFFAOYSA-N 2 0 277.412 1.380 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC=C)C1 ZINC001028603881 768903730 /nfs/dbraw/zinc/90/37/30/768903730.db2.gz KPFGSJWUUOEFIG-HOTGVXAUSA-N 2 0 289.423 1.098 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001019088012 768962249 /nfs/dbraw/zinc/96/22/49/768962249.db2.gz JIKPNHBNQPZZRW-AWEZNQCLSA-N 2 0 277.412 1.381 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C ZINC001049557621 769006683 /nfs/dbraw/zinc/00/66/83/769006683.db2.gz JNSOVNFQDHSQHW-BZUAXINKSA-N 2 0 291.439 1.722 20 30 CDEDRP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001023367151 769027271 /nfs/dbraw/zinc/02/72/71/769027271.db2.gz WIOAFZRYFLLQKU-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001054830457 769050148 /nfs/dbraw/zinc/05/01/48/769050148.db2.gz OCIPTRBBQGNLCG-WBMJQRKESA-N 2 0 298.390 1.879 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1(C)C ZINC000996674751 769308047 /nfs/dbraw/zinc/30/80/47/769308047.db2.gz WFHBSUVSKWMTDL-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015061557 769312154 /nfs/dbraw/zinc/31/21/54/769312154.db2.gz WMEWOBUTXYZVEH-CVEARBPZSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001026610705 769387988 /nfs/dbraw/zinc/38/79/88/769387988.db2.gz SPTVDJDHAJVKLU-UYSNPLJNSA-N 2 0 291.439 1.511 20 30 CDEDRP C[NH+]=C(NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)NC1CC1 ZINC000848983422 769488694 /nfs/dbraw/zinc/48/86/94/769488694.db2.gz DNWFSGIPJRPIDS-TXEJJXNPSA-N 2 0 282.432 1.202 20 30 CDEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001000516935 769532452 /nfs/dbraw/zinc/53/24/52/769532452.db2.gz CKZNLOJNKWKMTC-HNNXBMFYSA-N 2 0 277.412 1.405 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052935989 769586410 /nfs/dbraw/zinc/58/64/10/769586410.db2.gz XHZYHUXIAYKOAP-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001028537501 769616266 /nfs/dbraw/zinc/61/62/66/769616266.db2.gz MLQYIFOWRCDHLC-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000838520104 769837870 /nfs/dbraw/zinc/83/78/70/769837870.db2.gz XIWVONKMQAWCRX-HNNXBMFYSA-N 2 0 294.443 1.115 20 30 CDEDRP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001049008456 769871188 /nfs/dbraw/zinc/87/11/88/769871188.db2.gz MZZSZUYOJCSWFM-YHUYYLMFSA-N 2 0 291.439 1.293 20 30 CDEDRP C[NH+]1CCC(CCNC(=[NH2+])N2CCCCC2)CC1 ZINC000104181130 769878198 /nfs/dbraw/zinc/87/81/98/769878198.db2.gz YJWXNBXKVZIQSE-UHFFFAOYSA-N 2 0 252.406 1.519 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001033593955 769881784 /nfs/dbraw/zinc/88/17/84/769881784.db2.gz KWBGXHNXPSEVFO-GFCCVEGCSA-N 2 0 276.384 1.406 20 30 CDEDRP C[C@H]1C[NH+]=C(NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)N1 ZINC000848988196 769897951 /nfs/dbraw/zinc/89/79/51/769897951.db2.gz LAOFBATZOCGQHJ-XQQFMLRXSA-N 2 0 252.406 1.292 20 30 CDEDRP CC[N@@H+]1CC[C@H](CNC(NC[C@H]2CCCS2)=[NH+]C)C1 ZINC000261977890 770007387 /nfs/dbraw/zinc/00/73/87/770007387.db2.gz ODGQYDRKMJLLJV-CHWSQXEVSA-N 2 0 284.473 1.389 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001049527066 770014188 /nfs/dbraw/zinc/01/41/88/770014188.db2.gz ZSOWDKOXBDWIPG-XHSDSOJGSA-N 2 0 291.439 1.578 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033099258 770030191 /nfs/dbraw/zinc/03/01/91/770030191.db2.gz OJIXPWHBQBXSDO-OWCLPIDISA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001072849207 770098174 /nfs/dbraw/zinc/09/81/74/770098174.db2.gz XREDANGCDVDKJF-CYBMUJFWSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC000992193373 770160530 /nfs/dbraw/zinc/16/05/30/770160530.db2.gz VFFGUXAFWSUPGC-BFYDXBDKSA-N 2 0 291.439 1.627 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000303893238 770323612 /nfs/dbraw/zinc/32/36/12/770323612.db2.gz RVMYCOCJKBMPQB-OLZOCXBDSA-N 2 0 270.421 1.046 20 30 CDEDRP [NH2+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCCCC1 ZINC000303908567 770327078 /nfs/dbraw/zinc/32/70/78/770327078.db2.gz XPWKZZMBUYYRNV-GFCCVEGCSA-N 2 0 250.390 1.271 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001019817872 770370507 /nfs/dbraw/zinc/37/05/07/770370507.db2.gz IBXHZPKUJOLPQB-HNNXBMFYSA-N 2 0 285.391 1.186 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052864909 770371046 /nfs/dbraw/zinc/37/10/46/770371046.db2.gz AHHYBADUHJPWRL-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000997086620 770468829 /nfs/dbraw/zinc/46/88/29/770468829.db2.gz AIEACVIXPDXRFT-CVEARBPZSA-N 2 0 289.423 1.217 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001019466080 770480887 /nfs/dbraw/zinc/48/08/87/770480887.db2.gz QIAIAVGUNHUPTP-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014705369 770832072 /nfs/dbraw/zinc/83/20/72/770832072.db2.gz PAORXBWPZXQGRY-HOTGVXAUSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000988956688 770890071 /nfs/dbraw/zinc/89/00/71/770890071.db2.gz STZAWCOKTNRGFH-ZIAGYGMSSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000987291366 771015055 /nfs/dbraw/zinc/01/50/55/771015055.db2.gz ITJFOGBCAUZWIE-GOEBONIOSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC001035794556 771112191 /nfs/dbraw/zinc/11/21/91/771112191.db2.gz FVUAUTNSADFIIA-HUUCEWRRSA-N 2 0 291.439 1.295 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000999364304 771212205 /nfs/dbraw/zinc/21/22/05/771212205.db2.gz LJJAVUQWIYCXEL-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071795804 771343374 /nfs/dbraw/zinc/34/33/74/771343374.db2.gz NPQBMYOHOLVGCC-GOEBONIOSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[N@@H+](C)C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000985803378 771420675 /nfs/dbraw/zinc/42/06/75/771420675.db2.gz FKUOROSAXYWSCM-GJZGRUSLSA-N 2 0 291.439 1.415 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001044744423 771505919 /nfs/dbraw/zinc/50/59/19/771505919.db2.gz OWHHHSYGWIRMIL-CABCVRRESA-N 2 0 291.439 1.321 20 30 CDEDRP N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000923383999 771602378 /nfs/dbraw/zinc/60/23/78/771602378.db2.gz PUHZOOHNEQPNIF-RRFJBIMHSA-N 2 0 289.379 1.157 20 30 CDEDRP CCCNC(=[NH2+])NC[C@H](CC(C)C)[NH+]1CCCC1 ZINC000303785690 771604409 /nfs/dbraw/zinc/60/44/09/771604409.db2.gz QOASBVHGXUXSPB-ZDUSSCGKSA-N 2 0 254.422 1.811 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001027650224 771734421 /nfs/dbraw/zinc/73/44/21/771734421.db2.gz CQFJMNMTXKISMD-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CCN1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000886209657 771805972 /nfs/dbraw/zinc/80/59/72/771805972.db2.gz RJYFUZHLCUHIJG-LSDHHAIUSA-N 2 0 263.429 1.546 20 30 CDEDRP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1cnc[nH]1 ZINC001049751621 771812293 /nfs/dbraw/zinc/81/22/93/771812293.db2.gz YPRCUXCEFACNGF-CABCVRRESA-N 2 0 286.379 1.041 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC ZINC001049529353 771823941 /nfs/dbraw/zinc/82/39/41/771823941.db2.gz LMDGXGNOEIRAFL-PMPSAXMXSA-N 2 0 289.423 1.169 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001075942005 771826169 /nfs/dbraw/zinc/82/61/69/771826169.db2.gz PMCJSZUIQZFKGZ-RRFJBIMHSA-N 2 0 279.428 1.435 20 30 CDEDRP CCCCNC(=[NH2+])NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000303781468 771841839 /nfs/dbraw/zinc/84/18/39/771841839.db2.gz MIEHBJHQMXKYFQ-CHWSQXEVSA-N 2 0 270.421 1.190 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC000986357965 771850959 /nfs/dbraw/zinc/85/09/59/771850959.db2.gz VCFUCWUHLQAMLS-JSGCOSHPSA-N 2 0 265.401 1.236 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001015621977 771875058 /nfs/dbraw/zinc/87/50/58/771875058.db2.gz PUTHNZHNEKCSBH-ZIAGYGMSSA-N 2 0 288.395 1.130 20 30 CDEDRP CC(=NNC1=[NH+][C@H](C)CN1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779787005 771889794 /nfs/dbraw/zinc/88/97/94/771889794.db2.gz SYQBAXDFMOFTHN-CJNGLKHVSA-N 2 0 299.422 1.822 20 30 CDEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001040936905 771910369 /nfs/dbraw/zinc/91/03/69/771910369.db2.gz PIKMGGGTIBXQAD-OAHLLOKOSA-N 2 0 291.439 1.439 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001044857283 772003278 /nfs/dbraw/zinc/00/32/78/772003278.db2.gz HOZDKOWWCCREJV-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000303773924 772016144 /nfs/dbraw/zinc/01/61/44/772016144.db2.gz FPHPJOMSFDQUJG-GJZGRUSLSA-N 2 0 298.475 1.826 20 30 CDEDRP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001028537881 772017753 /nfs/dbraw/zinc/01/77/53/772017753.db2.gz UOYXGCCWDHJOHU-HUUCEWRRSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C[C@H](C(=O)OC)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000800383875 772047517 /nfs/dbraw/zinc/04/75/17/772047517.db2.gz GULMPNMLTWDHGW-CYBMUJFWSA-N 2 0 266.385 1.522 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000303867197 772057140 /nfs/dbraw/zinc/05/71/40/772057140.db2.gz CTSSBYHKQVCLDQ-QWHCGFSZSA-N 2 0 270.421 1.046 20 30 CDEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001035668478 772258341 /nfs/dbraw/zinc/25/83/41/772258341.db2.gz GXVAAQPKRJVXHH-HNNXBMFYSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1cc(OCC)ccc1O ZINC000883131532 772394850 /nfs/dbraw/zinc/39/48/50/772394850.db2.gz GOPMRSFPGPFYIR-UHFFFAOYSA-N 2 0 276.380 1.836 20 30 CDEDRP C[C@H]1CCC[C@@](CNC(=[NH2+])N(C)C2CC2)([NH+](C)C)C1 ZINC000305816031 772417757 /nfs/dbraw/zinc/41/77/57/772417757.db2.gz MGEPWXQGBFERBP-SWLSCSKDSA-N 2 0 266.433 1.906 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999407723 772437767 /nfs/dbraw/zinc/43/77/67/772437767.db2.gz PHVVTWKFGLPMFC-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049895152 772485417 /nfs/dbraw/zinc/48/54/17/772485417.db2.gz ICNDMBRPAYWLFE-HOTGVXAUSA-N 2 0 291.439 1.724 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001022533679 772513556 /nfs/dbraw/zinc/51/35/56/772513556.db2.gz DJBZUEAUKISAMT-BETUJISGSA-N 2 0 265.401 1.284 20 30 CDEDRP COC[C@@H](C)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000777893980 772575670 /nfs/dbraw/zinc/57/56/70/772575670.db2.gz YKBHPFLJOFSNBP-CQSZACIVSA-N 2 0 290.411 1.397 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001019381810 772585199 /nfs/dbraw/zinc/58/51/99/772585199.db2.gz WCXTUAHJRGAYQW-ZDUSSCGKSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033421270 772601631 /nfs/dbraw/zinc/60/16/31/772601631.db2.gz WGXITOZZSNTHDH-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C[NH+]=C(NCC1([NH+](C)C)CCCCC1)NC1CC1 ZINC000848981116 772655814 /nfs/dbraw/zinc/65/58/14/772655814.db2.gz MWCGLRQAUGFLPB-UHFFFAOYSA-N 2 0 252.406 1.578 20 30 CDEDRP C=CCCN1CC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001031050086 772729898 /nfs/dbraw/zinc/72/98/98/772729898.db2.gz AACGYPKEBYKALX-OAHLLOKOSA-N 2 0 279.428 1.626 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994248506 772739136 /nfs/dbraw/zinc/73/91/36/772739136.db2.gz FIXSHZXJXQBPAP-LSDHHAIUSA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001000914858 772749088 /nfs/dbraw/zinc/74/90/88/772749088.db2.gz BQDKHJUTRUTTSF-STQMWFEESA-N 2 0 285.819 1.271 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001020161685 772771208 /nfs/dbraw/zinc/77/12/08/772771208.db2.gz LRVKNWUJXNGTIZ-KKUMJFAQSA-N 2 0 277.412 1.141 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001054830455 772817574 /nfs/dbraw/zinc/81/75/74/772817574.db2.gz OCIPTRBBQGNLCG-LRDDRELGSA-N 2 0 298.390 1.879 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC ZINC001039648423 772827674 /nfs/dbraw/zinc/82/76/74/772827674.db2.gz NMKJSNBRICVRHC-XHSDSOJGSA-N 2 0 289.423 1.169 20 30 CDEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001039395359 772834874 /nfs/dbraw/zinc/83/48/74/772834874.db2.gz KNKMQBAAXRLZFW-PMPSAXMXSA-N 2 0 291.439 1.722 20 30 CDEDRP C#CCN1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001016340052 772836515 /nfs/dbraw/zinc/83/65/15/772836515.db2.gz TXGIFTGITDYXFS-OAHLLOKOSA-N 2 0 285.391 1.186 20 30 CDEDRP CCCC[N@@H+]1CCCC[C@@H]1CNC(NC1CC1)=[NH+]C ZINC000303395782 772898620 /nfs/dbraw/zinc/89/86/20/772898620.db2.gz HHYDYPQJELRPTB-CQSZACIVSA-N 2 0 266.433 1.968 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001049527063 772944543 /nfs/dbraw/zinc/94/45/43/772944543.db2.gz ZSOWDKOXBDWIPG-ARFHVFGLSA-N 2 0 291.439 1.578 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015051884 772955633 /nfs/dbraw/zinc/95/56/33/772955633.db2.gz FKRHZEVAPSIXEB-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001050462017 772998497 /nfs/dbraw/zinc/99/84/97/772998497.db2.gz MOFLTGCURPROLE-OAHLLOKOSA-N 2 0 289.423 1.028 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C#CC1CC1 ZINC000837383399 773121879 /nfs/dbraw/zinc/12/18/79/773121879.db2.gz NLYZSSXPIUWOGH-MRXNPFEDSA-N 2 0 291.439 1.274 20 30 CDEDRP CC1CC[NH+](C[C@H]2CCCN(C[C@H](O)CC#N)C2)CC1 ZINC000929421890 773480918 /nfs/dbraw/zinc/48/09/18/773480918.db2.gz NXVUDZDBYWFLJW-HZPDHXFCSA-N 2 0 279.428 1.705 20 30 CDEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001031925715 773484411 /nfs/dbraw/zinc/48/44/11/773484411.db2.gz LQJKMKPGEGWAGD-HOCLYGCPSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000987552067 773491232 /nfs/dbraw/zinc/49/12/32/773491232.db2.gz QFNIWRGSJRIHBS-WMLDXEAASA-N 2 0 299.418 1.574 20 30 CDEDRP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001040398092 773564505 /nfs/dbraw/zinc/56/45/05/773564505.db2.gz FCPPGNLLJSMZSA-DOTOQJQBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001036896882 773649706 /nfs/dbraw/zinc/64/97/06/773649706.db2.gz VYDXODAIQAETKW-JKSUJKDBSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC001574908383 1167641896 /nfs/dbraw/zinc/64/18/96/1167641896.db2.gz LWLJCZQPNJTPDN-KBPBESRZSA-N 2 0 267.417 1.518 20 30 CDEDRP C=CCOC1CCC([NH2+]CCCN2CC[NH+](C)CC2)CC1 ZINC001173308076 912399598 /nfs/dbraw/zinc/39/95/98/912399598.db2.gz DTGNITOUJLIWBA-UHFFFAOYSA-N 2 0 295.471 1.727 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127255719 913195841 /nfs/dbraw/zinc/19/58/41/913195841.db2.gz LBXQHEVDSVEXQJ-STQMWFEESA-N 2 0 285.819 1.319 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001174950198 913410467 /nfs/dbraw/zinc/41/04/67/913410467.db2.gz WMAYWRAISUCBMP-OAHLLOKOSA-N 2 0 281.444 1.616 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001106149786 913434045 /nfs/dbraw/zinc/43/40/45/913434045.db2.gz RROIMAIFEXWKIO-KLHDSHLOSA-N 2 0 291.439 1.034 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001175107241 913446636 /nfs/dbraw/zinc/44/66/36/913446636.db2.gz MBMMKGWWPTUVSW-HUUCEWRRSA-N 2 0 281.444 1.470 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206871383 894780798 /nfs/dbraw/zinc/78/07/98/894780798.db2.gz JRPOWBBZFWJAID-INIZCTEOSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001167236008 894929551 /nfs/dbraw/zinc/92/95/51/894929551.db2.gz FSAGMTVFHVLLDD-LSDHHAIUSA-N 2 0 293.455 1.636 20 30 CDEDRP C=CC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397578174 895201913 /nfs/dbraw/zinc/20/19/13/895201913.db2.gz DBCZDLGHELNOOR-UHFFFAOYSA-N 2 0 260.381 1.789 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001104289755 895388158 /nfs/dbraw/zinc/38/81/58/895388158.db2.gz TYEYDONESBMFDZ-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176162023 913988431 /nfs/dbraw/zinc/98/84/31/913988431.db2.gz SUWRHSGWSGOGPZ-OAHLLOKOSA-N 2 0 297.443 1.017 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001176256442 914027818 /nfs/dbraw/zinc/02/78/18/914027818.db2.gz BTSVIXRLLQMLEQ-OAHLLOKOSA-N 2 0 281.444 1.616 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106881878 914494720 /nfs/dbraw/zinc/49/47/20/914494720.db2.gz NLTREMYQVRLJMY-RBSFLKMASA-N 2 0 279.428 1.198 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089563442 914814829 /nfs/dbraw/zinc/81/48/29/914814829.db2.gz RKRYSNQBDUTMRL-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H]1CC ZINC001087726248 905794067 /nfs/dbraw/zinc/79/40/67/905794067.db2.gz YANKQGJXFZTPKT-OWCLPIDISA-N 2 0 291.439 1.463 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088200117 906437293 /nfs/dbraw/zinc/43/72/93/906437293.db2.gz QFHIJMHNKINKDM-PMPSAXMXSA-N 2 0 291.439 1.295 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001227796845 906624479 /nfs/dbraw/zinc/62/44/79/906624479.db2.gz BZEMBUYCLRZJTK-OAHLLOKOSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001088384138 907079202 /nfs/dbraw/zinc/07/92/02/907079202.db2.gz XRNNVRHLRSPZPL-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP CC(C)C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C(=O)NO ZINC001168314986 908990051 /nfs/dbraw/zinc/99/00/51/908990051.db2.gz JWYJVRPNOZAYTD-BPCQOVAHSA-N 2 0 271.405 1.369 20 30 CDEDRP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)[C@H](C)C1 ZINC001093224918 909703033 /nfs/dbraw/zinc/70/30/33/909703033.db2.gz GUKDDLRBFYBAMY-BZUAXINKSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127066273 911263494 /nfs/dbraw/zinc/26/34/94/911263494.db2.gz KSCUHXCIBJLABB-AWEZNQCLSA-N 2 0 267.417 1.531 20 30 CDEDRP C[C@H](CCCC#N)[NH2+]CCCOCCOCCC[NH3+] ZINC001172483791 911688228 /nfs/dbraw/zinc/68/82/28/911688228.db2.gz UHXHAPHWWUSUNK-CQSZACIVSA-N 2 0 271.405 1.430 20 30 CDEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1CCCC1 ZINC001484008875 915285397 /nfs/dbraw/zinc/28/53/97/915285397.db2.gz HUFYPSYLRAXLSC-HOTGVXAUSA-N 2 0 293.455 1.615 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001179212361 915767062 /nfs/dbraw/zinc/76/70/62/915767062.db2.gz KMBYOOOPUGVBAF-UHFFFAOYSA-N 2 0 293.455 1.760 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)CC[N@@H+](C)CCC ZINC001180117858 916164783 /nfs/dbraw/zinc/16/47/83/916164783.db2.gz IXDAWTIYRGBXQS-UHFFFAOYSA-N 2 0 281.444 1.618 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001182964118 918222181 /nfs/dbraw/zinc/22/21/81/918222181.db2.gz ICMUDLUKEOUJFU-HUUCEWRRSA-N 2 0 299.434 1.823 20 30 CDEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001183082382 918279339 /nfs/dbraw/zinc/27/93/39/918279339.db2.gz RVNGVXRTKCCGFC-NVXWUHKLSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH2+]CC)CC2)CC1 ZINC000998287086 919516431 /nfs/dbraw/zinc/51/64/31/919516431.db2.gz OBKRRMGWEYEJKB-UHFFFAOYSA-N 2 0 291.439 1.180 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001185550629 919649316 /nfs/dbraw/zinc/64/93/16/919649316.db2.gz WCXFPORGYAXWGE-JKSUJKDBSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999167604 919684275 /nfs/dbraw/zinc/68/42/75/919684275.db2.gz BILFTMIPSBUXMF-GJZGRUSLSA-N 2 0 277.412 1.095 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001185762111 919744583 /nfs/dbraw/zinc/74/45/83/919744583.db2.gz MFOICRVKVKALQL-CABCVRRESA-N 2 0 279.428 1.034 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[C@H](C)n2ccnc2)C1 ZINC001185967926 919833268 /nfs/dbraw/zinc/83/32/68/919833268.db2.gz FNBAKFQIYGIMJR-LSDHHAIUSA-N 2 0 290.411 1.991 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001187420175 920533420 /nfs/dbraw/zinc/53/34/20/920533420.db2.gz CTUKHLDEGIDCJY-GXTWGEPZSA-N 2 0 290.411 1.806 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190363527 921980969 /nfs/dbraw/zinc/98/09/69/921980969.db2.gz POGHNRKJPFTKDI-JKSUJKDBSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190444621 921996743 /nfs/dbraw/zinc/99/67/43/921996743.db2.gz RPXCPLVLMNMVIR-KGLIPLIRSA-N 2 0 285.407 1.385 20 30 CDEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001190493562 922047990 /nfs/dbraw/zinc/04/79/90/922047990.db2.gz ZUGDCJHRGPROKJ-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001191019537 922356368 /nfs/dbraw/zinc/35/63/68/922356368.db2.gz MQIHVFMDFKNEOQ-ZDUSSCGKSA-N 2 0 267.417 1.435 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128773521 922408270 /nfs/dbraw/zinc/40/82/70/922408270.db2.gz AMEPPJJYMHLILH-CYBMUJFWSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CCC[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034490801 922645744 /nfs/dbraw/zinc/64/57/44/922645744.db2.gz NMYBAJBTJDLFQS-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194295952 924170067 /nfs/dbraw/zinc/17/00/67/924170067.db2.gz SBCFMIZNFGTCPG-OAHLLOKOSA-N 2 0 281.444 1.826 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080192660 924501360 /nfs/dbraw/zinc/50/13/60/924501360.db2.gz PVRDUGGQGJEHAI-BMFZPTHFSA-N 2 0 291.439 1.483 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001080255176 924520884 /nfs/dbraw/zinc/52/08/84/924520884.db2.gz PKAUDXHQPDVYQF-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001080254869 924521005 /nfs/dbraw/zinc/52/10/05/924521005.db2.gz ITEBEICJQKHAQI-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001080442538 924570176 /nfs/dbraw/zinc/57/01/76/924570176.db2.gz DPNTWJQOMQTFQJ-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001100872974 936942495 /nfs/dbraw/zinc/94/24/95/936942495.db2.gz PZGJGYZSLQUMTC-WLYUNCDWSA-N 2 0 279.428 1.389 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001082507263 924951344 /nfs/dbraw/zinc/95/13/44/924951344.db2.gz JJDFAUJIMZZQCS-OAGGEKHMSA-N 2 0 293.455 1.872 20 30 CDEDRP CC#CCN1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198252323 925378965 /nfs/dbraw/zinc/37/89/65/925378965.db2.gz OHCIPSXISPGMOO-UHFFFAOYSA-N 2 0 291.439 1.420 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001152480664 925475327 /nfs/dbraw/zinc/47/53/27/925475327.db2.gz YZWYHCUAAIJSAE-HNNXBMFYSA-N 2 0 281.444 1.779 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330356 937053193 /nfs/dbraw/zinc/05/31/93/937053193.db2.gz QNWJCAYTDKGPKU-BZUAXINKSA-N 2 0 293.455 1.280 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085589644 926197778 /nfs/dbraw/zinc/19/77/78/926197778.db2.gz QEYHHHIOIPCEAP-CVEARBPZSA-N 2 0 293.455 1.968 20 30 CDEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085675491 926268568 /nfs/dbraw/zinc/26/85/68/926268568.db2.gz UDLKLPYBTUZWJS-GJZGRUSLSA-N 2 0 277.412 1.027 20 30 CDEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201333803 926272845 /nfs/dbraw/zinc/27/28/45/926272845.db2.gz DLHAYOQTDSGRQD-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001086253345 926898272 /nfs/dbraw/zinc/89/82/72/926898272.db2.gz BZRCPSVQBZETGY-JONQDZQNSA-N 2 0 291.439 1.224 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001086278364 926930960 /nfs/dbraw/zinc/93/09/60/926930960.db2.gz SQSHJFIGQUBFDA-ZNMIVQPWSA-N 2 0 279.428 1.531 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](C)C)C2 ZINC001108750053 928629591 /nfs/dbraw/zinc/62/95/91/928629591.db2.gz TYXGNJWIJCUZGR-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001112864761 929506531 /nfs/dbraw/zinc/50/65/31/929506531.db2.gz BIOGKWOZGUIBOJ-ARFHVFGLSA-N 2 0 293.455 1.826 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773731 929892833 /nfs/dbraw/zinc/89/28/33/929892833.db2.gz RAXRHYURNQMRDM-CHWSQXEVSA-N 2 0 267.417 1.223 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134757385 929894842 /nfs/dbraw/zinc/89/48/42/929894842.db2.gz OPXSVQAHJDPZCM-HNNXBMFYSA-N 2 0 281.444 1.923 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135182234 930085960 /nfs/dbraw/zinc/08/59/60/930085960.db2.gz ZZVXYSIPOMPWGL-KGLIPLIRSA-N 2 0 279.428 1.367 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135378233 930176167 /nfs/dbraw/zinc/17/61/67/930176167.db2.gz ISQDOHPWRIIALL-UONOGXRCSA-N 2 0 281.444 1.777 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)C)CC1 ZINC001115998678 937426990 /nfs/dbraw/zinc/42/69/90/937426990.db2.gz MZBLRGHLCVKJJQ-UHFFFAOYSA-N 2 0 253.390 1.141 20 30 CDEDRP N#Cc1cccc2c(N[C@H]([NH3+])CCC[NH3+])nc(Cl)nc12 ZINC001170899181 930695076 /nfs/dbraw/zinc/69/50/76/930695076.db2.gz SIQHHWUUMUCKFX-JTQLQIEISA-N 2 0 290.758 1.012 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2nccn21 ZINC001153819318 937473317 /nfs/dbraw/zinc/47/33/17/937473317.db2.gz WJSCWTKYNKOEDU-ZIAGYGMSSA-N 2 0 288.395 1.220 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153824404 937474121 /nfs/dbraw/zinc/47/41/21/937474121.db2.gz SNVVIYQCDJEXHE-HIFRSBDPSA-N 2 0 281.444 1.729 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154579708 937560169 /nfs/dbraw/zinc/56/01/69/937560169.db2.gz ARJLOJTTYXYAKZ-CQSZACIVSA-N 2 0 279.428 1.321 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146533955 932262900 /nfs/dbraw/zinc/26/29/00/932262900.db2.gz IBQIATYYEQSKLQ-CVEARBPZSA-N 2 0 293.455 1.759 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC=C)CC1 ZINC001146571078 932266842 /nfs/dbraw/zinc/26/68/42/932266842.db2.gz KRFQXRRNNFEYFL-GJZGRUSLSA-N 2 0 291.439 1.391 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086873583 932837178 /nfs/dbraw/zinc/83/71/78/932837178.db2.gz OZHSSBBYYLSHRC-BFHYXJOUSA-N 2 0 299.846 1.565 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226647 937651079 /nfs/dbraw/zinc/65/10/79/937651079.db2.gz MBCBDUXNASJTLW-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C[C@@H](C#N)OCC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000687719018 934401308 /nfs/dbraw/zinc/40/13/08/934401308.db2.gz WOMYCLLDDMSPSY-ZDUSSCGKSA-N 2 0 253.390 1.579 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1CCC ZINC001263104374 936306659 /nfs/dbraw/zinc/30/66/59/936306659.db2.gz FNOWXDOPSKICKC-OLZOCXBDSA-N 2 0 253.390 1.271 20 30 CDEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001121696234 937880139 /nfs/dbraw/zinc/88/01/39/937880139.db2.gz LCCMGGVFDXYDCD-UHFFFAOYSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001121727393 937881495 /nfs/dbraw/zinc/88/14/95/937881495.db2.gz BIBVCIGDDJSMAW-UKEPKTAJSA-N 2 0 293.455 1.776 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001156157417 938325997 /nfs/dbraw/zinc/32/59/97/938325997.db2.gz VTOCMWUNZNHYGM-OAHLLOKOSA-N 2 0 293.455 1.567 20 30 CDEDRP N#Cc1cc(Cl)ncc1C(F)(F)N[C@@H]([NH3+])CCC[NH3+] ZINC001159787202 938753468 /nfs/dbraw/zinc/75/34/68/938753468.db2.gz TXCJDZMKVDRCFH-SNVBAGLBSA-N 2 0 289.717 1.269 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160866400 938834046 /nfs/dbraw/zinc/83/40/46/938834046.db2.gz BKLCRNXGOGWHRS-GJZGRUSLSA-N 2 0 277.412 1.123 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(C)c(C)cc1C#N ZINC001163125428 939205342 /nfs/dbraw/zinc/20/53/42/939205342.db2.gz BTBHPBWCEJOCLU-UHFFFAOYSA-N 2 0 288.399 1.848 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(C)ccc1C#N ZINC001163123214 939206004 /nfs/dbraw/zinc/20/60/04/939206004.db2.gz ZGBWAJFWWLCCMJ-UHFFFAOYSA-N 2 0 274.372 1.540 20 30 CDEDRP C=CCOCC[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163851646 939342023 /nfs/dbraw/zinc/34/20/23/939342023.db2.gz QNKMLVJEXJAEJT-UHFFFAOYSA-N 2 0 297.443 1.159 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001165316386 939544798 /nfs/dbraw/zinc/54/47/98/939544798.db2.gz YPZIXRKVZZYLKM-CQSZACIVSA-N 2 0 297.418 1.176 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001165333654 939547554 /nfs/dbraw/zinc/54/75/54/939547554.db2.gz SONAGHBAMGJAOQ-OAHLLOKOSA-N 2 0 293.455 1.923 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001165763770 939576591 /nfs/dbraw/zinc/57/65/91/939576591.db2.gz FYWSHMCRLYQPIF-AWEZNQCLSA-N 2 0 279.428 1.533 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166687267 939626767 /nfs/dbraw/zinc/62/67/67/939626767.db2.gz LHOWZXYSKWZGOH-MRXNPFEDSA-N 2 0 297.418 1.318 20 30 CDEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203519653 939691000 /nfs/dbraw/zinc/69/10/00/939691000.db2.gz BERQQRXKLQEDMU-LSDHHAIUSA-N 2 0 291.439 1.369 20 30 CDEDRP COc1cc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)ccc1C#N ZINC001205248922 939842572 /nfs/dbraw/zinc/84/25/72/939842572.db2.gz TYXBCFQPSINKKQ-MRXNPFEDSA-N 2 0 289.379 1.243 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070905 940282636 /nfs/dbraw/zinc/28/26/36/940282636.db2.gz UCEZTWSBIBWJJF-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209303531 940457906 /nfs/dbraw/zinc/45/79/06/940457906.db2.gz KVCVYLNKXLQNGQ-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001209642478 940621939 /nfs/dbraw/zinc/62/19/39/940621939.db2.gz NPVLJDPIRYEMDI-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001209668717 940624559 /nfs/dbraw/zinc/62/45/59/940624559.db2.gz HGRZFCUVQYMNEG-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211072946 940728213 /nfs/dbraw/zinc/72/82/13/940728213.db2.gz XKYRADPHORJEOO-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211287047 940745128 /nfs/dbraw/zinc/74/51/28/940745128.db2.gz YURYCCJHXYLXRI-AWEZNQCLSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211370814 940750380 /nfs/dbraw/zinc/75/03/80/940750380.db2.gz BJHZNZBEXZSRPK-HUUCEWRRSA-N 2 0 281.444 1.729 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214890565 940844040 /nfs/dbraw/zinc/84/40/40/940844040.db2.gz XYFXZXKHAANHFP-OWCLPIDISA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423485 940885574 /nfs/dbraw/zinc/88/55/74/940885574.db2.gz NREHXCNADOKGCR-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001215571423 940895223 /nfs/dbraw/zinc/89/52/23/940895223.db2.gz NYVFAPQZPLTXGM-KFWWJZLASA-N 2 0 281.444 1.729 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216750202 940963883 /nfs/dbraw/zinc/96/38/83/940963883.db2.gz UEZMDLFOJQQOGM-RBSFLKMASA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216755839 940965205 /nfs/dbraw/zinc/96/52/05/940965205.db2.gz GOGRXNIJFVCPDR-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP C[C@]1(C(=O)Nc2sc3c(c2C#N)CC[NH2+]C3)CCC[NH2+]1 ZINC001218553037 941235514 /nfs/dbraw/zinc/23/55/14/941235514.db2.gz MYQUTWXXVZSRSF-CQSZACIVSA-N 2 0 290.392 1.346 20 30 CDEDRP C#CC[C@]1(C(=O)Nc2ccc([C@H]3CC[NH2+]C3)cc2)CCC[NH2+]1 ZINC001218997175 941299702 /nfs/dbraw/zinc/29/97/02/941299702.db2.gz SPEFMTWIODAIJV-MAUKXSAKSA-N 2 0 297.402 1.848 20 30 CDEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cc(F)c(C#N)cc1C ZINC001219112361 941309797 /nfs/dbraw/zinc/30/97/97/941309797.db2.gz FBJMVJUSZLRQJE-ZDUSSCGKSA-N 2 0 292.358 1.661 20 30 CDEDRP C=C1CC=C(F)C=C1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220797845 941473017 /nfs/dbraw/zinc/47/30/17/941473017.db2.gz XLCFRRQDZDEZLC-ZDUSSCGKSA-N 2 0 265.332 1.127 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC001220868416 941479066 /nfs/dbraw/zinc/47/90/66/941479066.db2.gz IOLMURWLYNCOCH-KBPBESRZSA-N 2 0 265.401 1.143 20 30 CDEDRP C#CCCC1(CCNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)N=N1 ZINC001221409533 941532232 /nfs/dbraw/zinc/53/22/32/941532232.db2.gz OUGNLNQMNIFXIK-ZDUSSCGKSA-N 2 0 293.415 1.127 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001221920609 941554700 /nfs/dbraw/zinc/55/47/00/941554700.db2.gz NGIQGKREKBJWSB-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001223472801 941679959 /nfs/dbraw/zinc/67/99/59/941679959.db2.gz VIBOAQKBKFCJPM-MRXNPFEDSA-N 2 0 291.439 1.178 20 30 CDEDRP C[N+](C)(C)C[C@@H](CC#N)OCCC[NH+]1CCCC1 ZINC001224744416 941788660 /nfs/dbraw/zinc/78/86/60/941788660.db2.gz LPBNTTQIDCYOQU-CQSZACIVSA-N 2 0 254.398 1.477 20 30 CDEDRP C=CCCC[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001225448950 941861948 /nfs/dbraw/zinc/86/19/48/941861948.db2.gz QWJDXOKIBVCZQU-UHFFFAOYSA-N 2 0 293.455 1.877 20 30 CDEDRP CN(C)C1=NOC2(C1)CC[NH+](Cc1cccc(C#N)n1)CC2 ZINC001232923567 943434426 /nfs/dbraw/zinc/43/44/26/943434426.db2.gz DWDDMPFAIYAJBF-UHFFFAOYSA-N 2 0 299.378 1.583 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC001263098695 943742747 /nfs/dbraw/zinc/74/27/47/943742747.db2.gz LDYJVYUJRBFWGK-CHWSQXEVSA-N 2 0 255.406 1.517 20 30 CDEDRP C#CC[NH+]1CCC(OC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001263620725 943915920 /nfs/dbraw/zinc/91/59/20/943915920.db2.gz AYLYWFSLNNZGAR-HNNXBMFYSA-N 2 0 278.396 1.500 20 30 CDEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235394746 944143032 /nfs/dbraw/zinc/14/30/32/944143032.db2.gz UVPXMNWGSNWBKX-HNNXBMFYSA-N 2 0 279.428 1.580 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001235510711 944182193 /nfs/dbraw/zinc/18/21/93/944182193.db2.gz COJFAHBEWSJUOM-HZPDHXFCSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[NH2+]CCN(Cc1ccccc1)[C@@H]1CC[NH2+]C[C@H]1F ZINC001235938200 944327050 /nfs/dbraw/zinc/32/70/50/944327050.db2.gz YZOOKNXRIQBTBR-IAGOWNOFSA-N 2 0 291.414 1.964 20 30 CDEDRP C[NH+]1CCN(C2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC001254664291 947581792 /nfs/dbraw/zinc/58/17/92/947581792.db2.gz HBFUMXNUIDMJKG-GDBMZVCRSA-N 2 0 276.428 1.390 20 30 CDEDRP C[N@@H+]1CC[C@@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)C1 ZINC001255421931 947869500 /nfs/dbraw/zinc/86/95/00/947869500.db2.gz UIKBGXLANQNYGQ-CQSZACIVSA-N 2 0 268.364 1.891 20 30 CDEDRP C=CCOCc1nn([C@@H]2CCC[N@@H+](C)C2)c2c1C[NH2+]C2 ZINC001255490844 947946147 /nfs/dbraw/zinc/94/61/47/947946147.db2.gz VAXDBHDZHKMBJY-GFCCVEGCSA-N 2 0 276.384 1.456 20 30 CDEDRP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001246150532 947991093 /nfs/dbraw/zinc/99/10/93/947991093.db2.gz WGFQSYSOEYGQHD-MCIONIFRSA-N 2 0 262.401 1.142 20 30 CDEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCC[NH2+]CCCC[NH3+] ZINC001246457191 948182844 /nfs/dbraw/zinc/18/28/44/948182844.db2.gz OIWDBFBKXRXJQE-OAHLLOKOSA-N 3 0 288.439 1.797 20 30 CDEDRP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246597439 948335669 /nfs/dbraw/zinc/33/56/69/948335669.db2.gz WAKFYIYJYAKBPX-HNNXBMFYSA-N 2 0 298.434 1.517 20 30 CDEDRP C#CCOC[C@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001251897515 950930952 /nfs/dbraw/zinc/93/09/52/950930952.db2.gz ZDJUDSUJUDRTCS-QGZVFWFLSA-N 2 0 294.439 1.384 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001252494833 951367262 /nfs/dbraw/zinc/36/72/62/951367262.db2.gz GDSRRUQCKYTYFQ-MGPQQGTHSA-N 2 0 256.390 1.012 20 30 CDEDRP C=CCC[C@H](O)C[N@@H+](CCOC)C1CCN(C)CC1 ZINC001252598706 951493247 /nfs/dbraw/zinc/49/32/47/951493247.db2.gz PXACPMSQXKWGJN-HNNXBMFYSA-N 2 0 270.417 1.356 20 30 CDEDRP C=C[C@@H](O)C[NH+]1CCN(CC[NH+](CCC)CCC)CC1 ZINC001253584638 951974887 /nfs/dbraw/zinc/97/48/87/951974887.db2.gz OZGJJOKPJYLWGJ-MRXNPFEDSA-N 2 0 283.460 1.273 20 30 CDEDRP C=C[C@@H](O)C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC001253606642 951991656 /nfs/dbraw/zinc/99/16/56/951991656.db2.gz LSCDSJBHETYJQT-MRXNPFEDSA-N 2 0 275.396 1.430 20 30 CDEDRP C=C[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001253607386 951992938 /nfs/dbraw/zinc/99/29/38/951992938.db2.gz WIEJFSGQPBCVLC-HNNXBMFYSA-N 2 0 276.380 1.493 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001317069873 957243733 /nfs/dbraw/zinc/24/37/33/957243733.db2.gz XLAPQSKHTYDGFN-HNNXBMFYSA-N 2 0 279.428 1.629 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001340105871 962749590 /nfs/dbraw/zinc/74/95/90/962749590.db2.gz PDLFHBKUWIGAJH-LSDHHAIUSA-N 2 0 281.444 1.860 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC001340853549 963156352 /nfs/dbraw/zinc/15/63/52/963156352.db2.gz NKVILBHVFVBVNQ-UONOGXRCSA-N 2 0 267.417 1.661 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001340937512 963201444 /nfs/dbraw/zinc/20/14/44/963201444.db2.gz ZHALGRUZITWRHU-CYBMUJFWSA-N 2 0 265.401 1.272 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001353646487 968122533 /nfs/dbraw/zinc/12/25/33/968122533.db2.gz RZKBUMSXJJJVOF-VHSXEESVSA-N 2 0 294.424 1.581 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001100383031 968181487 /nfs/dbraw/zinc/18/14/87/968181487.db2.gz IELYVBHDMZRLQA-UYSNPLJNSA-N 2 0 291.439 1.369 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001391949958 977162431 /nfs/dbraw/zinc/16/24/31/977162431.db2.gz MLXMNTWYOKDBQL-YPMHNXCESA-N 2 0 289.851 1.667 20 30 CDEDRP C=CC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132433963 1163288154 /nfs/dbraw/zinc/28/81/54/1163288154.db2.gz SHTXZYHIMAFSJW-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886233 1163501979 /nfs/dbraw/zinc/50/19/79/1163501979.db2.gz HGYLUZGYFXJANZ-KKUMJFAQSA-N 2 0 281.444 1.777 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001574903793 1171044566 /nfs/dbraw/zinc/04/45/66/1171044566.db2.gz WWFFOWIEMGSDTM-BFHYXJOUSA-N 2 0 265.401 1.365 20 30 CDEDRP C[C@@H](C#N)OCC[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001575052193 1171096776 /nfs/dbraw/zinc/09/67/76/1171096776.db2.gz YKIYGTHHWHXATO-HNNXBMFYSA-N 2 0 287.407 1.908 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000601004939 342457803 /nfs/dbraw/zinc/45/78/03/342457803.db2.gz FPKQYINZSHLTMX-OAHLLOKOSA-N 2 0 279.428 1.627 20 30 CDEDRP N#CCN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000591570697 342637261 /nfs/dbraw/zinc/63/72/61/342637261.db2.gz CETVTISEHIRTKD-IXDOHACOSA-N 2 0 290.455 1.875 20 30 CDEDRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442768143 362088368 /nfs/dbraw/zinc/08/83/68/362088368.db2.gz NZCYKGPZMKMMEP-KBPBESRZSA-N 2 0 265.401 1.504 20 30 CDEDRP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](O)CC(C)(C)C#N)CCO1 ZINC000598629119 343848678 /nfs/dbraw/zinc/84/86/78/343848678.db2.gz XNLRVYSPQACEQB-CABCVRRESA-N 2 0 297.443 1.330 20 30 CDEDRP N#CCCOCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602850015 344626038 /nfs/dbraw/zinc/62/60/38/344626038.db2.gz UBMOCKUXPYFLAG-UHFFFAOYSA-N 2 0 274.368 1.524 20 30 CDEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(C#N)n1 ZINC000602620374 350133313 /nfs/dbraw/zinc/13/33/13/350133313.db2.gz VYCBULPUIJNTAO-AWEZNQCLSA-N 2 0 287.411 1.069 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)c1ccccc1 ZINC000264069182 362957091 /nfs/dbraw/zinc/95/70/91/362957091.db2.gz FVRVXHXNZQXWJL-CABCVRRESA-N 2 0 290.411 1.109 20 30 CDEDRP C[NH+](C)CCOc1ccc(CNC(=[NH2+])NC2CC2)cc1 ZINC000264114034 362970424 /nfs/dbraw/zinc/97/04/24/362970424.db2.gz POVJXHQMBOYFBI-UHFFFAOYSA-N 2 0 276.384 1.194 20 30 CDEDRP C[NH+](C)CC1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000559793560 356759283 /nfs/dbraw/zinc/75/92/83/356759283.db2.gz FFCKBEQNZMWHSS-UHFFFAOYSA-N 2 0 258.369 1.727 20 30 CDEDRP COCCNC(=[NH2+])NCCC[N@H+](C)Cc1ccccc1 ZINC000058166045 357381383 /nfs/dbraw/zinc/38/13/83/357381383.db2.gz HTRTULBSAFSVJY-UHFFFAOYSA-N 2 0 278.400 1.059 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]([NH3+])CC)C(C)C ZINC000130347902 358103973 /nfs/dbraw/zinc/10/39/73/358103973.db2.gz BGLHKJNQDVVQFI-ZIAGYGMSSA-N 2 0 267.417 1.539 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)C(C)C ZINC000236665709 358795304 /nfs/dbraw/zinc/79/53/04/358795304.db2.gz ZZEXFEMZGXEPJL-RDJZCZTQSA-N 2 0 293.455 1.801 20 30 CDEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248742958 364442079 /nfs/dbraw/zinc/44/20/79/364442079.db2.gz ALVHTOCYONNBKO-OAGGEKHMSA-N 2 0 278.444 1.684 20 30 CDEDRP C[NH+]=C(NCC[NH+]1CCCC1)N1CCc2ccccc21 ZINC000171611581 365333072 /nfs/dbraw/zinc/33/30/72/365333072.db2.gz PNVSITZHZJNEQF-UHFFFAOYSA-N 2 0 272.396 1.720 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1cncc(C#N)n1 ZINC000420603345 244274301 /nfs/dbraw/zinc/27/43/01/244274301.db2.gz PYPKZLGTWLALAU-UHFFFAOYSA-N 2 0 290.415 1.058 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CC(C)(C)C#N ZINC000345945131 391323565 /nfs/dbraw/zinc/32/35/65/391323565.db2.gz UVSOJQSIRVCZFC-UHFFFAOYSA-N 2 0 296.459 1.658 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000262671746 131249595 /nfs/dbraw/zinc/24/95/95/131249595.db2.gz OSWADIKVJJYKMQ-MRXNPFEDSA-N 2 0 287.407 1.323 20 30 CDEDRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(C#N)c1 ZINC000423200213 397602324 /nfs/dbraw/zinc/60/23/24/397602324.db2.gz DYEDDOXVUNLRAS-CYBMUJFWSA-N 2 0 258.369 1.114 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659450245 413836107 /nfs/dbraw/zinc/83/61/07/413836107.db2.gz IPCYTOXGBODQOX-UHFFFAOYSA-N 2 0 268.405 1.016 20 30 CDEDRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000192931214 227390723 /nfs/dbraw/zinc/39/07/23/227390723.db2.gz VCNAAIHNCZWQBN-HUUCEWRRSA-N 2 0 278.444 1.684 20 30 CDEDRP CCNC(=[NH2+])NCc1ccccc1OCC[NH+](CC)CC ZINC000264071860 262863938 /nfs/dbraw/zinc/86/39/38/262863938.db2.gz DMHJOIIVCUUJKI-UHFFFAOYSA-N 2 0 292.427 1.831 20 30 CDEDRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)CCC#N)C2)CC1 ZINC000351489217 279372985 /nfs/dbraw/zinc/37/29/85/279372985.db2.gz CQGDSHPDEZMBPD-CABCVRRESA-N 2 0 264.417 1.390 20 30 CDEDRP CC1CC[NH+](C[C@H](O)C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000304357177 328993667 /nfs/dbraw/zinc/99/36/67/328993667.db2.gz WVFDVJSMNIOFAO-OAHLLOKOSA-N 2 0 281.444 1.999 20 30 CDEDRP C[C@H]1C[NH+]=C(NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)N1 ZINC000262471739 330015550 /nfs/dbraw/zinc/01/55/50/330015550.db2.gz BFLQWMMGQIIUIB-UPJWGTAASA-N 2 0 266.433 1.680 20 30 CDEDRP C[C@H]1C[NH+]=C(NC[C@H]2CCC[N@@H+]2CC2CCCCC2)N1 ZINC000262634668 330023740 /nfs/dbraw/zinc/02/37/40/330023740.db2.gz GLWCOJMDYXVKDF-DZGCQCFKSA-N 2 0 278.444 1.968 20 30 CDEDRP [NH2+]=C(NCC1CC[NH+](C2CC2)CC1)N1CCSCC1 ZINC000262769521 330030396 /nfs/dbraw/zinc/03/03/96/330030396.db2.gz IMHCIEBWXBCSDE-UHFFFAOYSA-N 2 0 282.457 1.224 20 30 CDEDRP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424135425 330270438 /nfs/dbraw/zinc/27/04/38/330270438.db2.gz MGVAFUSDXIOCJU-HUUCEWRRSA-N 2 0 288.395 1.427 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])C(C)C ZINC000424143204 330286985 /nfs/dbraw/zinc/28/69/85/330286985.db2.gz ZJVQQEANMXVPBW-RDBSUJKOSA-N 2 0 265.401 1.148 20 30 CDEDRP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]([NH3+])CCCC#N ZINC000424197104 330325611 /nfs/dbraw/zinc/32/56/11/330325611.db2.gz WFHJAMMGYDBGGA-CYBMUJFWSA-N 2 0 268.405 1.054 20 30 CDEDRP C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000491669203 332276886 /nfs/dbraw/zinc/27/68/86/332276886.db2.gz NNZNRTANTLNVBU-HNNXBMFYSA-N 2 0 279.428 1.084 20 30 CDEDRP C#CCNC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000491747067 332324443 /nfs/dbraw/zinc/32/44/43/332324443.db2.gz CCYHMBPGEDVGLE-HZPDHXFCSA-N 2 0 293.455 1.616 20 30 CDEDRP C#CCC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001754448481 1159212689 /nfs/dbraw/zinc/21/26/89/1159212689.db2.gz ZYPVBBRYBFFHST-HNNXBMFYSA-N 2 0 291.439 1.369 20 30 CDEDRP CC#CC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753626053 1159865477 /nfs/dbraw/zinc/86/54/77/1159865477.db2.gz OENVEXRRCNKVAT-CQSZACIVSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CCC[NH2+]CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001753247423 1185129190 /nfs/dbraw/zinc/12/91/90/1185129190.db2.gz BLFKSQPDHYVZPA-UHFFFAOYSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001113574052 1162228340 /nfs/dbraw/zinc/22/83/40/1162228340.db2.gz NKPCKSFOWOOBCW-UHFFFAOYSA-N 2 0 267.417 1.439 20 30 CDEDRP C=CCN1CC[C@@H]([N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)C1=O ZINC000335277597 526476805 /nfs/dbraw/zinc/47/68/05/526476805.db2.gz JWBFDSPEMQFRMT-UONOGXRCSA-N 2 0 277.412 1.237 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000764624184 575926975 /nfs/dbraw/zinc/92/69/75/575926975.db2.gz NJWVQJULDIETKT-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000743491278 576642888 /nfs/dbraw/zinc/64/28/88/576642888.db2.gz ZZDILOCCUQRDGU-HNNXBMFYSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000969792756 612994179 /nfs/dbraw/zinc/99/41/79/612994179.db2.gz KNZLGGCJEPALDZ-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[N@H+]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000981556352 613006462 /nfs/dbraw/zinc/00/64/62/613006462.db2.gz IGBRWHDHTNYERC-UHFFFAOYSA-N 2 0 296.374 1.506 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000947685307 613017259 /nfs/dbraw/zinc/01/72/59/613017259.db2.gz MQUWIRYEFZBLJS-GDBMZVCRSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000971844822 613084019 /nfs/dbraw/zinc/08/40/19/613084019.db2.gz RVDXVJPHBASSBI-HZPDHXFCSA-N 2 0 291.439 1.273 20 30 CDEDRP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000969014193 613145301 /nfs/dbraw/zinc/14/53/01/613145301.db2.gz SZIRPEWMNLCVBD-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000969676804 613302316 /nfs/dbraw/zinc/30/23/16/613302316.db2.gz JBEVNPJCKDNMQR-BBRMVZONSA-N 2 0 291.439 1.341 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981526991 613386659 /nfs/dbraw/zinc/38/66/59/613386659.db2.gz CLJCGZOSJVKVRJ-UONOGXRCSA-N 2 0 299.846 1.852 20 30 CDEDRP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982150786 613488805 /nfs/dbraw/zinc/48/88/05/613488805.db2.gz VAJFKDPKZVMEGG-OAHLLOKOSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CCC[N@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000981333199 613495209 /nfs/dbraw/zinc/49/52/09/613495209.db2.gz MRAHOJIORDRWMQ-HNNXBMFYSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974587959 613807437 /nfs/dbraw/zinc/80/74/37/613807437.db2.gz OUNILQXWDQJJRF-LSDHHAIUSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[NH+]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000975060151 613826491 /nfs/dbraw/zinc/82/64/91/613826491.db2.gz IMHATBZZJXFWGK-KGLIPLIRSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000891520684 617458339 /nfs/dbraw/zinc/45/83/39/617458339.db2.gz PEPJTZBMSPJALI-QWHCGFSZSA-N 2 0 280.416 1.158 20 30 CDEDRP C=C(C)C[NH+]1CCC(Nc2cc[nH+]cc2CO)CC1 ZINC000892397158 618139444 /nfs/dbraw/zinc/13/94/44/618139444.db2.gz UUCJPTCAAMYIEL-UHFFFAOYSA-N 2 0 261.369 1.448 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1OC ZINC000911665751 629385785 /nfs/dbraw/zinc/38/57/85/629385785.db2.gz SYZVYKDNUIHABO-UONOGXRCSA-N 2 0 291.395 1.495 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130190457 1162566606 /nfs/dbraw/zinc/56/66/06/1162566606.db2.gz ZSXIEAIATVFMFP-KBPBESRZSA-N 2 0 265.401 1.285 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130192518 1162567655 /nfs/dbraw/zinc/56/76/55/1162567655.db2.gz PUFARPJZSZCTTG-QWHCGFSZSA-N 2 0 285.819 1.462 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158037778 1162698625 /nfs/dbraw/zinc/69/86/25/1162698625.db2.gz LCUDSMNOAWXEHY-CABCVRRESA-N 2 0 279.428 1.533 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130874997 1162739250 /nfs/dbraw/zinc/73/92/50/1162739250.db2.gz YOTLAPAGRZEUPP-UHFFFAOYSA-N 2 0 272.352 1.620 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001113352950 1162161569 /nfs/dbraw/zinc/16/15/69/1162161569.db2.gz FLQXVJHKSYFNOA-AWEZNQCLSA-N 2 0 267.417 1.437 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132423891 1163277096 /nfs/dbraw/zinc/27/70/96/1163277096.db2.gz CPUIQZKWAJJMRK-HUUCEWRRSA-N 2 0 297.443 1.110 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133687807 1163851751 /nfs/dbraw/zinc/85/17/51/1163851751.db2.gz QWBXRCOPFZNQTR-CQSZACIVSA-N 2 0 269.433 1.779 20 30 CDEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176191888 1164306894 /nfs/dbraw/zinc/30/68/94/1164306894.db2.gz BSFDDLRRTWFGFI-HNNXBMFYSA-N 2 0 293.455 1.923 20 30 CDEDRP C#CCCCCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC001574544694 1170992490 /nfs/dbraw/zinc/99/24/90/1170992490.db2.gz HYZSETIYXBIPRG-HUUCEWRRSA-N 2 0 252.402 1.866 20 30 CDEDRP CC#CC[NH2+]CCN(CC)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001668545989 1173426077 /nfs/dbraw/zinc/42/60/77/1173426077.db2.gz LOQVUFPCPBQLRY-CQSZACIVSA-N 2 0 267.417 1.034 20 30 CDEDRP C=CC[N@H+](C)CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001752060133 1184814779 /nfs/dbraw/zinc/81/47/79/1184814779.db2.gz KXOROPBVFAYKCE-INIZCTEOSA-N 2 0 299.434 1.823 20 30 CDEDRP CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001752158194 1184826854 /nfs/dbraw/zinc/82/68/54/1184826854.db2.gz UNTCOADXCGZOIZ-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP CC#CC[NH2+][C@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001753009046 1184993489 /nfs/dbraw/zinc/99/34/89/1184993489.db2.gz YVCKBXVLDDOPJU-CYBMUJFWSA-N 2 0 298.390 1.764 20 30 CDEDRP C=CC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001753118741 1185064637 /nfs/dbraw/zinc/06/46/37/1185064637.db2.gz JRTIVSBCZLRVGZ-CYBMUJFWSA-N 2 0 253.390 1.093 20 30 CDEDRP C#CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001753332977 1185158924 /nfs/dbraw/zinc/15/89/24/1185158924.db2.gz ZNWSTNPWJQFHTN-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001753336487 1185159098 /nfs/dbraw/zinc/15/90/98/1185159098.db2.gz UNTWGIKWRFCBPD-OAHLLOKOSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001753334438 1185159196 /nfs/dbraw/zinc/15/91/96/1185159196.db2.gz GCPWUBFFHRPVPX-XHSDSOJGSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001753483529 1185231534 /nfs/dbraw/zinc/23/15/34/1185231534.db2.gz JECROYBLDJGNPY-KKUMJFAQSA-N 2 0 281.444 1.777 20 30 CDEDRP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001753592505 1185260934 /nfs/dbraw/zinc/26/09/34/1185260934.db2.gz PWTLNJMNGOIVTE-QGZVFWFLSA-N 2 0 299.418 1.367 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001753788388 1185335589 /nfs/dbraw/zinc/33/55/89/1185335589.db2.gz NPNCGXIGPKVUMA-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001753860757 1185369510 /nfs/dbraw/zinc/36/95/10/1185369510.db2.gz JADCVZWENIMDEX-KBPBESRZSA-N 2 0 267.417 1.293 20 30 CDEDRP C=C(C)C[NH2+]CCN(CC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001754067126 1185448004 /nfs/dbraw/zinc/44/80/04/1185448004.db2.gz KWXZHNWEGPYVAA-AWEZNQCLSA-N 2 0 267.417 1.342 20 30 CDEDRP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001754139369 1185480647 /nfs/dbraw/zinc/48/06/47/1185480647.db2.gz NSVZBRMVXMGDFJ-VBROQKIQSA-N 2 0 265.401 1.309 20 30 CDEDRP C=C(Cl)C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001754157718 1185488278 /nfs/dbraw/zinc/48/82/78/1185488278.db2.gz XVLYNGLXHNTXAN-PLNGDYQASA-N 2 0 299.846 1.875 20 30 CDEDRP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001754253266 1185531412 /nfs/dbraw/zinc/53/14/12/1185531412.db2.gz FLSBTURYMHBIBO-WBVHZDCISA-N 2 0 299.418 1.084 20 30 CDEDRP C=CCC[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001754531026 1185661315 /nfs/dbraw/zinc/66/13/15/1185661315.db2.gz MLCWIGHSRLZYRV-UHFFFAOYSA-N 2 0 293.455 1.921 20 30 CDEDRP CC#CC[NH+]1CCC(C)(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001754721661 1185714480 /nfs/dbraw/zinc/71/44/80/1185714480.db2.gz WNDMOWUFFYQSLR-UHFFFAOYSA-N 2 0 293.455 1.570 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001755029750 1185790679 /nfs/dbraw/zinc/79/06/79/1185790679.db2.gz PXFDTBDZNAYLGE-CVEARBPZSA-N 2 0 293.455 1.711 20 30 CDEDRP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001755073375 1185806843 /nfs/dbraw/zinc/80/68/43/1185806843.db2.gz RIRHGMMRSQAOKF-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001755479512 1185963589 /nfs/dbraw/zinc/96/35/89/1185963589.db2.gz PYKXQPOVGUQQNG-JOCQHMNTSA-N 2 0 276.384 1.403 20 30 CDEDRP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001755559426 1185990877 /nfs/dbraw/zinc/99/08/77/1185990877.db2.gz BQWYFFVRUYNIDH-HNNXBMFYSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH2+]CC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388691812 1187258360 /nfs/dbraw/zinc/25/83/60/1187258360.db2.gz WQHRAMSOPCKGBX-KRWDZBQOSA-N 2 0 299.418 1.332 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135706352 1164169135 /nfs/dbraw/zinc/16/91/35/1164169135.db2.gz SUCPSIMQCBAEGT-KGLIPLIRSA-N 2 0 267.417 1.224 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001050563299 778698899 /nfs/dbraw/zinc/69/88/99/778698899.db2.gz IXAQLKGIMCFVEL-CQSZACIVSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000928657813 773802419 /nfs/dbraw/zinc/80/24/19/773802419.db2.gz ZVUPVSDATQCKMW-OAHLLOKOSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001038262825 773864122 /nfs/dbraw/zinc/86/41/22/773864122.db2.gz OTMKLJDECZTGRC-GJZGRUSLSA-N 2 0 277.412 1.095 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001020541497 773899726 /nfs/dbraw/zinc/89/97/26/773899726.db2.gz ACRANFLLLZNHBN-HDJSIYSDSA-N 2 0 265.401 1.141 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001028553010 773914540 /nfs/dbraw/zinc/91/45/40/773914540.db2.gz YOQSZDYUMSRMDF-HRCADAONSA-N 2 0 293.455 1.731 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)C[NH+]1CCCC1 ZINC000303865951 773962265 /nfs/dbraw/zinc/96/22/65/773962265.db2.gz BYXMNGNHDMLQDD-LSDHHAIUSA-N 3 0 295.475 1.107 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001020149910 774005001 /nfs/dbraw/zinc/00/50/01/774005001.db2.gz GYMLJQNWPDLDQW-VGWMRTNUSA-N 2 0 291.439 1.674 20 30 CDEDRP C#CC[N@@H+]1CCC[C@H](Nc2cc(NC3CC3)ncn2)C1 ZINC000884611020 774019884 /nfs/dbraw/zinc/01/98/84/774019884.db2.gz AXHHODJOCYVSLF-ZDUSSCGKSA-N 2 0 271.368 1.560 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(C)c(C)s1 ZINC000304765163 774134773 /nfs/dbraw/zinc/13/47/73/774134773.db2.gz YYCCQYULTLVEQW-GFCCVEGCSA-N 2 0 295.456 1.649 20 30 CDEDRP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001072851466 774149959 /nfs/dbraw/zinc/14/99/59/774149959.db2.gz WMZUIWHKYLMSES-CQSZACIVSA-N 2 0 279.428 1.437 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028657214 774251897 /nfs/dbraw/zinc/25/18/97/774251897.db2.gz WYXYYMQNCDZEHC-OAHLLOKOSA-N 2 0 289.423 1.076 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001019469696 774411309 /nfs/dbraw/zinc/41/13/09/774411309.db2.gz JCLXSYNGCPSPRP-AWEZNQCLSA-N 2 0 265.401 1.095 20 30 CDEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001072553596 774593723 /nfs/dbraw/zinc/59/37/23/774593723.db2.gz FDOULVJFQVKHHK-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001027680825 774685100 /nfs/dbraw/zinc/68/51/00/774685100.db2.gz KCBDAMWZGDGIIH-GJZGRUSLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001020161543 774818833 /nfs/dbraw/zinc/81/88/33/774818833.db2.gz HAUVQSOYHOLNDE-MGPQQGTHSA-N 2 0 297.830 1.318 20 30 CDEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001005184232 774823652 /nfs/dbraw/zinc/82/36/52/774823652.db2.gz LAYRCUAZAMMHIS-INIZCTEOSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001036268452 774917666 /nfs/dbraw/zinc/91/76/66/774917666.db2.gz RTRQKJDTTCUMIO-UONOGXRCSA-N 2 0 277.412 1.095 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)C[NH+]1CCCC1 ZINC000104174498 775051429 /nfs/dbraw/zinc/05/14/29/775051429.db2.gz BYXMNGNHDMLQDD-HUUCEWRRSA-N 3 0 295.475 1.107 20 30 CDEDRP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001045557482 775544680 /nfs/dbraw/zinc/54/46/80/775544680.db2.gz MCGMIUVHYFGXLE-LSDHHAIUSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000985656928 775569354 /nfs/dbraw/zinc/56/93/54/775569354.db2.gz ZVYAYLKRWOSLEX-ZBFHGGJFSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000994062022 775845899 /nfs/dbraw/zinc/84/58/99/775845899.db2.gz WEBHPHQZXNOLAR-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)CN1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994410237 776012432 /nfs/dbraw/zinc/01/24/32/776012432.db2.gz SEEIFKCPZILDPE-KBPBESRZSA-N 2 0 299.846 1.804 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015998198 776083126 /nfs/dbraw/zinc/08/31/26/776083126.db2.gz MQZVBBYJBYSHRG-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001034016817 776088002 /nfs/dbraw/zinc/08/80/02/776088002.db2.gz OSGLJJMKVIGDSZ-HNNXBMFYSA-N 2 0 289.423 1.028 20 30 CDEDRP Cc1ccc(NCCN(C)CCC[NH+](C)C)c(C#N)n1 ZINC000882600094 776303834 /nfs/dbraw/zinc/30/38/34/776303834.db2.gz GJUKYNGOEQZUTA-UHFFFAOYSA-N 2 0 275.400 1.557 20 30 CDEDRP C[N@H+](C[C@H](O)CC1(C#N)CCC1)C[C@H]1CCC[NH+](C)C1 ZINC000886018498 776308335 /nfs/dbraw/zinc/30/83/35/776308335.db2.gz BDCNDPIKZFJJLJ-LSDHHAIUSA-N 2 0 279.428 1.705 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001044873387 776369906 /nfs/dbraw/zinc/36/99/06/776369906.db2.gz YCWNOGCYIAHAPO-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001036869907 776373356 /nfs/dbraw/zinc/37/33/56/776373356.db2.gz MAERLWCVTSEXOB-CABCVRRESA-N 2 0 289.423 1.191 20 30 CDEDRP C#CCN(C(=O)[C@H]1CC[N@@H+]1C(C)(C)C)C1CC[NH+](C)CC1 ZINC000886573750 776486188 /nfs/dbraw/zinc/48/61/88/776486188.db2.gz VJLDDMCIKYMEBH-OAHLLOKOSA-N 2 0 291.439 1.415 20 30 CDEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000999828184 776817822 /nfs/dbraw/zinc/81/78/22/776817822.db2.gz DWOARGKABGTJQK-HSBZDZAISA-N 2 0 265.401 1.093 20 30 CDEDRP C[C@@H]1C[N@H+](CCCNC(=[NH2+])N2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000104159760 776901533 /nfs/dbraw/zinc/90/15/33/776901533.db2.gz LUAJOYHCSMHPCN-SOUVJXGZSA-N 2 0 296.459 1.532 20 30 CDEDRP C=C(Cl)CN1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028117735 776909801 /nfs/dbraw/zinc/90/98/01/776909801.db2.gz SSQWTSZISZLTOP-AWEZNQCLSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075800407 776988170 /nfs/dbraw/zinc/98/81/70/776988170.db2.gz XBXVXNJHQUWWOT-ARFHVFGLSA-N 2 0 289.423 1.047 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000996665584 777118431 /nfs/dbraw/zinc/11/84/31/777118431.db2.gz MTOHAKZCAFESEZ-UHFFFAOYSA-N 2 0 299.846 1.804 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001038329193 777154751 /nfs/dbraw/zinc/15/47/51/777154751.db2.gz OXVKSWUYZASVTE-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001009200832 777160436 /nfs/dbraw/zinc/16/04/36/777160436.db2.gz HJOLGTRGCZMSBI-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP CC(C)NC(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1 ZINC000104163121 777430344 /nfs/dbraw/zinc/43/03/44/777430344.db2.gz RKNHDRYNSIMFCN-UHFFFAOYSA-N 2 0 278.400 1.440 20 30 CDEDRP C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000104172511 777592662 /nfs/dbraw/zinc/59/26/62/777592662.db2.gz VVAJKMQMVOGONR-STQMWFEESA-N 2 0 264.417 1.517 20 30 CDEDRP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001028335681 777646510 /nfs/dbraw/zinc/64/65/10/777646510.db2.gz ZFMSNKQOZZQOQZ-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001005593733 777703616 /nfs/dbraw/zinc/70/36/16/777703616.db2.gz UMFWYDWEDWRSMK-MRXNPFEDSA-N 2 0 291.439 1.417 20 30 CDEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000985654562 777829512 /nfs/dbraw/zinc/82/95/12/777829512.db2.gz ATRICKSQAKDFGD-HNNXBMFYSA-N 2 0 281.444 1.826 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000989078929 777862720 /nfs/dbraw/zinc/86/27/20/777862720.db2.gz VSFNBDPHZLYVTO-GXTWGEPZSA-N 2 0 296.374 1.469 20 30 CDEDRP C[C@@H](CCNC(=[NH2+])NC[C@H]1CCCO1)[NH+]1CCCCC1 ZINC000181378411 777872701 /nfs/dbraw/zinc/87/27/01/777872701.db2.gz AEWJMTDRJPWIRH-UONOGXRCSA-N 2 0 282.432 1.334 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024761903 777874662 /nfs/dbraw/zinc/87/46/62/777874662.db2.gz LFCKGMPPPSRLHQ-OAHLLOKOSA-N 2 0 289.423 1.076 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001027562909 778065426 /nfs/dbraw/zinc/06/54/26/778065426.db2.gz YSSUJWOAOIGRNN-LSDHHAIUSA-N 2 0 279.428 1.129 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028317281 778074764 /nfs/dbraw/zinc/07/47/64/778074764.db2.gz ZMDWWYZMHYRIDV-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C[NH+]=C(NCC(C)(C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261970976 778267831 /nfs/dbraw/zinc/26/78/31/778267831.db2.gz MVWLHZLBYNQZAT-DGCLKSJQSA-N 2 0 266.433 1.680 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000928654788 778274084 /nfs/dbraw/zinc/27/40/84/778274084.db2.gz DJZSRBULUKHJDJ-KBPBESRZSA-N 2 0 277.412 1.073 20 30 CDEDRP N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000158051799 778451632 /nfs/dbraw/zinc/45/16/32/778451632.db2.gz LLPOKDVUORUJCR-BRWVUGGUSA-N 2 0 285.391 1.808 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046329425 778757659 /nfs/dbraw/zinc/75/76/59/778757659.db2.gz ORJJMURUQRRWDH-BFYDXBDKSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034529332 778769142 /nfs/dbraw/zinc/76/91/42/778769142.db2.gz YUCGNOVBCCWNBQ-HNNXBMFYSA-N 2 0 279.428 1.629 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000987352606 778896473 /nfs/dbraw/zinc/89/64/73/778896473.db2.gz AKSWGDOYJGSILN-CHWSQXEVSA-N 2 0 297.830 1.414 20 30 CDEDRP C#C[C@@H](C)NC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849020364 778985406 /nfs/dbraw/zinc/98/54/06/778985406.db2.gz ZZMFTAPCPFYKBL-CQSZACIVSA-N 2 0 284.407 1.787 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000923380977 779013923 /nfs/dbraw/zinc/01/39/23/779013923.db2.gz YTCWSEGKBSYONN-HRCADAONSA-N 2 0 282.428 1.532 20 30 CDEDRP CCNC(NC[C@@H]1CC[N@H+](CC(C)C)C1)=[NH+]CC ZINC000305010585 779092339 /nfs/dbraw/zinc/09/23/39/779092339.db2.gz KIENZBSBGFSSCB-ZDUSSCGKSA-N 2 0 254.422 1.539 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001016969166 779104012 /nfs/dbraw/zinc/10/40/12/779104012.db2.gz JWKNILHNTZNVKK-KGLIPLIRSA-N 2 0 277.412 1.095 20 30 CDEDRP C[NH+](C)CC1(O)CC[NH+](CC2(CC#N)CC2)CC1 ZINC000710671733 779192167 /nfs/dbraw/zinc/19/21/67/779192167.db2.gz LMKIFIMMBVZVEJ-UHFFFAOYSA-N 2 0 251.374 1.069 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001042359231 779198531 /nfs/dbraw/zinc/19/85/31/779198531.db2.gz YFUJMRJORQXBAK-HOTGVXAUSA-N 2 0 289.423 1.028 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ncc[nH]3)CC[C@@H]21 ZINC001036852028 779269720 /nfs/dbraw/zinc/26/97/20/779269720.db2.gz WIGRKNWTTIKURZ-KGLIPLIRSA-N 2 0 288.395 1.451 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033663507 779273756 /nfs/dbraw/zinc/27/37/56/779273756.db2.gz WHOSDSYJMGYJSS-UONOGXRCSA-N 2 0 265.401 1.047 20 30 CDEDRP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001028579491 779413853 /nfs/dbraw/zinc/41/38/53/779413853.db2.gz FVRDHGLVFGFBQR-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000876723826 779455669 /nfs/dbraw/zinc/45/56/69/779455669.db2.gz XYTNQGXXNSRYML-AVGNSLFASA-N 2 0 287.835 1.835 20 30 CDEDRP C=CCC[C@@H](O)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132542 779814543 /nfs/dbraw/zinc/81/45/43/779814543.db2.gz IBYHBPCQGVOJEO-GDBMZVCRSA-N 2 0 275.396 1.919 20 30 CDEDRP C[C@@H](C#N)OCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000801926557 779838504 /nfs/dbraw/zinc/83/85/04/779838504.db2.gz XJVHCMWGIMGLGQ-HNNXBMFYSA-N 2 0 295.427 1.492 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000104181383 779854713 /nfs/dbraw/zinc/85/47/13/779854713.db2.gz AQUFGGBXHNCQMZ-ZDUSSCGKSA-N 2 0 252.406 1.587 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001027598414 779870561 /nfs/dbraw/zinc/87/05/61/779870561.db2.gz WMXSNDOKXQNXSO-ZDUSSCGKSA-N 2 0 262.357 1.061 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033098651 779888934 /nfs/dbraw/zinc/88/89/34/779888934.db2.gz ITFJASAAHLLYHW-OWCLPIDISA-N 2 0 291.439 1.273 20 30 CDEDRP COc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000261997649 779966738 /nfs/dbraw/zinc/96/67/38/779966738.db2.gz OLLRZNGWRNDHMP-LBPRGKRZSA-N 2 0 288.395 1.906 20 30 CDEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])N1CCCCC1 ZINC000304853445 780125217 /nfs/dbraw/zinc/12/52/17/780125217.db2.gz ZJVNHZCAQFOJJY-CYBMUJFWSA-N 2 0 270.421 1.144 20 30 CDEDRP C=CC[C@@H]1CC[C@H]([NH2+]Cc2cn(C3C[NH2+]C3)nn2)C1 ZINC001574900135 1167642738 /nfs/dbraw/zinc/64/27/38/1167642738.db2.gz RPZABQOXQNDTKF-NEPJUHHUSA-N 2 0 261.373 1.257 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001095057240 912294099 /nfs/dbraw/zinc/29/40/99/912294099.db2.gz NCQTZLMJJJJCAW-XHSDSOJGSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CCOC1CCC([NH2+]CCN2CC[NH+](C)CC2)CC1 ZINC001173309010 912405493 /nfs/dbraw/zinc/40/54/93/912405493.db2.gz QZAYZDYUJBXNLT-UHFFFAOYSA-N 2 0 281.444 1.337 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001167225368 894906434 /nfs/dbraw/zinc/90/64/34/894906434.db2.gz SPLQQMKPYKCTEV-CQSZACIVSA-N 2 0 279.428 1.533 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001167237196 894933728 /nfs/dbraw/zinc/93/37/28/894933728.db2.gz WZLCSAPVKPVQMF-CABCVRRESA-N 2 0 291.439 1.084 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176160455 913987396 /nfs/dbraw/zinc/98/73/96/913987396.db2.gz FYVPMEKWHXNHLA-OAHLLOKOSA-N 2 0 297.443 1.017 20 30 CDEDRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(C#N)nc3)C2)CC1 ZINC001140545777 896719321 /nfs/dbraw/zinc/71/93/21/896719321.db2.gz KIUVDPDBPMZJEF-UHFFFAOYSA-N 2 0 270.380 1.871 20 30 CDEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+](C)C)C2 ZINC001112518659 897969669 /nfs/dbraw/zinc/96/96/69/897969669.db2.gz VXZOMFMSYXXQLT-RDJZCZTQSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176931210 914363827 /nfs/dbraw/zinc/36/38/27/914363827.db2.gz WCWKGKOHFMNRTD-UHFFFAOYSA-N 2 0 287.835 1.711 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176997079 914424595 /nfs/dbraw/zinc/42/45/95/914424595.db2.gz IDMSHLZANBUSOG-MRXNPFEDSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106885262 914494032 /nfs/dbraw/zinc/49/40/32/914494032.db2.gz ZGWUGXBFOZFDCA-HUUCEWRRSA-N 2 0 291.439 1.342 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127481155 914747177 /nfs/dbraw/zinc/74/71/77/914747177.db2.gz QGSACSNNVOBQPM-AWEZNQCLSA-N 2 0 265.401 1.000 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCN3C)CCC[C@@H]12 ZINC000990013336 909093128 /nfs/dbraw/zinc/09/31/28/909093128.db2.gz ICCDNRBFUILLIL-ZMSDIMECSA-N 2 0 291.439 1.770 20 30 CDEDRP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001076605895 909918140 /nfs/dbraw/zinc/91/81/40/909918140.db2.gz YLDYQHOMEMSQDU-JKSUJKDBSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001088835522 910020926 /nfs/dbraw/zinc/02/09/26/910020926.db2.gz AIWALDGFMZNJFF-OCCSQVGLSA-N 2 0 265.401 1.093 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001179026264 915710420 /nfs/dbraw/zinc/71/04/20/915710420.db2.gz UIVAWIHSEPSJJO-UHFFFAOYSA-N 2 0 298.390 1.847 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C ZINC001179538863 915882138 /nfs/dbraw/zinc/88/21/38/915882138.db2.gz JJPZAGXPEJDUPN-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001179586546 915887027 /nfs/dbraw/zinc/88/70/27/915887027.db2.gz PZBAYYHJERACNS-LSDHHAIUSA-N 2 0 281.444 1.636 20 30 CDEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001484999966 916365806 /nfs/dbraw/zinc/36/58/06/916365806.db2.gz JIFKGFZWEIPBPB-OLZOCXBDSA-N 2 0 276.384 1.096 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001107042340 917897000 /nfs/dbraw/zinc/89/70/00/917897000.db2.gz ICXHHYCYUMNTFC-OAGGEKHMSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCC([NH+](CC)CC)CC1 ZINC001183044838 918269184 /nfs/dbraw/zinc/26/91/84/918269184.db2.gz NUNXTJAAVDLCSI-UHFFFAOYSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183398554 918473343 /nfs/dbraw/zinc/47/33/43/918473343.db2.gz FTOLNCIAKHLXAS-IJEWVQPXSA-N 2 0 279.428 1.198 20 30 CDEDRP N#Cc1ccc(CCC[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001205210456 918949464 /nfs/dbraw/zinc/94/94/64/918949464.db2.gz OGOGAPMXHDKHQP-QGZVFWFLSA-N 2 0 287.407 1.667 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001184628907 919220330 /nfs/dbraw/zinc/22/03/30/919220330.db2.gz SBJJTINIPMCSFF-OAHLLOKOSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1C ZINC001185361330 919547456 /nfs/dbraw/zinc/54/74/56/919547456.db2.gz YHKKQOGKWHYLTB-HOTGVXAUSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001098096912 936640721 /nfs/dbraw/zinc/64/07/21/936640721.db2.gz LMPWSHPERSJIHS-OAGGEKHMSA-N 2 0 291.439 1.626 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001485912949 920570580 /nfs/dbraw/zinc/57/05/80/920570580.db2.gz OLWFQGBEQVZJCI-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187825214 920658970 /nfs/dbraw/zinc/65/89/70/920658970.db2.gz GFRDNWSNZBDTBA-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187843125 920683404 /nfs/dbraw/zinc/68/34/04/920683404.db2.gz UUIGPLYQRDWOCR-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCC=C)C1 ZINC001190726089 922155922 /nfs/dbraw/zinc/15/59/22/922155922.db2.gz WHYKGVVYBSRBCD-HOTGVXAUSA-N 2 0 289.423 1.193 20 30 CDEDRP N#Cc1ccc(CN(CC[NH3+])CC[NH3+])c(Br)c1 ZINC001235875388 944303402 /nfs/dbraw/zinc/30/34/02/944303402.db2.gz GABXWABZEJVRQA-UHFFFAOYSA-N 2 0 297.200 1.040 20 30 CDEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192946725 923330898 /nfs/dbraw/zinc/33/08/98/923330898.db2.gz FMKNWHCZSQLOIY-HNNXBMFYSA-N 2 0 281.444 1.827 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001080136096 924491888 /nfs/dbraw/zinc/49/18/88/924491888.db2.gz AWEWHHSMAAJDMK-CZUORRHYSA-N 2 0 298.390 1.961 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001080446986 924571354 /nfs/dbraw/zinc/57/13/54/924571354.db2.gz SSMJWFJGOIDTJB-RBSFLKMASA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001101037219 936953521 /nfs/dbraw/zinc/95/35/21/936953521.db2.gz DIJKKJSPURQEMD-UHFFFAOYSA-N 2 0 287.835 1.564 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330075 937052825 /nfs/dbraw/zinc/05/28/25/937052825.db2.gz ANTSAIRJSMOMPK-BZUAXINKSA-N 2 0 295.471 1.833 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085605518 926203348 /nfs/dbraw/zinc/20/33/48/926203348.db2.gz LRHITWAEKRDSGC-QLFBSQMISA-N 2 0 279.428 1.435 20 30 CDEDRP CC#CC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001102525890 937062793 /nfs/dbraw/zinc/06/27/93/937062793.db2.gz ZWCJBZPLBOKVEP-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086106537 926710841 /nfs/dbraw/zinc/71/08/41/926710841.db2.gz NMQUQBHCYMWWNN-HRCADAONSA-N 2 0 291.439 1.082 20 30 CDEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110666548 928014532 /nfs/dbraw/zinc/01/45/32/928014532.db2.gz PMICJYXLLGCKKN-LVQVYYBASA-N 2 0 289.423 1.071 20 30 CDEDRP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)CCC ZINC001156530059 928742139 /nfs/dbraw/zinc/74/21/39/928742139.db2.gz IXATXXXFYUAKQO-OAHLLOKOSA-N 2 0 299.459 1.357 20 30 CDEDRP CC(C)C[NH+]1CCC(C(=O)NCC#CC[NH+](C)C)CC1 ZINC001151243124 937276911 /nfs/dbraw/zinc/27/69/11/937276911.db2.gz ZWUGSGHUFPOXRL-UHFFFAOYSA-N 2 0 279.428 1.036 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001086533233 929097507 /nfs/dbraw/zinc/09/75/07/929097507.db2.gz BZRCPSVQBZETGY-FPCVCCKLSA-N 2 0 291.439 1.224 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001202503778 929136510 /nfs/dbraw/zinc/13/65/10/929136510.db2.gz NEXQFWBAULWDQB-GOEBONIOSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001112864762 929505848 /nfs/dbraw/zinc/50/58/48/929505848.db2.gz BIOGKWOZGUIBOJ-BZUAXINKSA-N 2 0 293.455 1.826 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135297413 930133911 /nfs/dbraw/zinc/13/39/11/930133911.db2.gz BCKXRCVTNWWBIY-KGLIPLIRSA-N 2 0 279.428 1.224 20 30 CDEDRP C=CCNC(=O)N(CC[NH+](CC)CC)CC[NH+](CC)CC ZINC001202568132 930309614 /nfs/dbraw/zinc/30/96/14/930309614.db2.gz WNYGLOXOBCKJIN-UHFFFAOYSA-N 2 0 298.475 1.868 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135979575 930579333 /nfs/dbraw/zinc/57/93/33/930579333.db2.gz HLXNIBZKCISHHA-UONOGXRCSA-N 2 0 269.433 1.777 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccn2c(C)cnc2c1 ZINC001153362572 937443292 /nfs/dbraw/zinc/44/32/92/937443292.db2.gz OIXCMIRZHRUZCD-CYBMUJFWSA-N 2 0 298.390 1.716 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153388185 937443977 /nfs/dbraw/zinc/44/39/77/937443977.db2.gz VESIFDPQJOPFIS-UKRRQHHQSA-N 2 0 279.428 1.341 20 30 CDEDRP N#C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246133252 931091796 /nfs/dbraw/zinc/09/17/96/931091796.db2.gz UPYOOPRUNAIFKU-MJBXVCDLSA-N 2 0 262.401 1.142 20 30 CDEDRP C[N@@H+]1CC[C@@H]2CN(Cc3ccc(C#N)cn3)C[C@@H]2C1 ZINC001144157320 931674189 /nfs/dbraw/zinc/67/41/89/931674189.db2.gz DGPQEHZPOGSSDK-KGLIPLIRSA-N 2 0 256.353 1.337 20 30 CDEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]CCSCC[NH3+] ZINC001171193823 931868409 /nfs/dbraw/zinc/86/84/09/931868409.db2.gz CTWKLFFPWVUQDX-GFCCVEGCSA-N 2 0 263.410 1.771 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171261141 932187243 /nfs/dbraw/zinc/18/72/43/932187243.db2.gz QOOFKVKRKFDGLC-CQSZACIVSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146537258 932263123 /nfs/dbraw/zinc/26/31/23/932263123.db2.gz YCBBGNAAMOPDKJ-LSDHHAIUSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146609654 932271930 /nfs/dbraw/zinc/27/19/30/932271930.db2.gz FUMKYEPRAMAAGG-LSDHHAIUSA-N 2 0 281.444 1.921 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146701719 932279128 /nfs/dbraw/zinc/27/91/28/932279128.db2.gz OPQHOOQMRCAKNJ-CVEARBPZSA-N 2 0 293.455 1.759 20 30 CDEDRP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001154784194 937585762 /nfs/dbraw/zinc/58/57/62/937585762.db2.gz AGPMBJJBEQCIMG-CVEARBPZSA-N 2 0 293.455 1.568 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999907 937619794 /nfs/dbraw/zinc/61/97/94/937619794.db2.gz SCRONBMRVZMDHJ-CYBMUJFWSA-N 2 0 255.406 1.341 20 30 CDEDRP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001148639073 932768758 /nfs/dbraw/zinc/76/87/58/932768758.db2.gz ZRYMYAIJIWEWJR-UHFFFAOYSA-N 2 0 288.395 1.106 20 30 CDEDRP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001111312824 934557746 /nfs/dbraw/zinc/55/77/46/934557746.db2.gz ZIMWYWBLDUPCAA-KFWWJZLASA-N 2 0 277.412 1.073 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cncc2C)C1 ZINC001015296677 935563690 /nfs/dbraw/zinc/56/36/90/935563690.db2.gz YJZYMSHNYXAIOK-CQSZACIVSA-N 2 0 276.384 1.348 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001015704623 935580647 /nfs/dbraw/zinc/58/06/47/935580647.db2.gz BHADHHCLRMROIO-CYBMUJFWSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001020289203 935733824 /nfs/dbraw/zinc/73/38/24/935733824.db2.gz UMLRWZVOZDPDOM-ZQDZILKHSA-N 2 0 277.412 1.426 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001039471090 935776024 /nfs/dbraw/zinc/77/60/24/935776024.db2.gz GZSLDHALJCIIKB-CABCVRRESA-N 2 0 277.412 1.334 20 30 CDEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001158128565 938585793 /nfs/dbraw/zinc/58/57/93/938585793.db2.gz DTWPPHQMYDSHGG-HUUCEWRRSA-N 2 0 279.428 1.273 20 30 CDEDRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC(C#Cc2ccccc2)CC1 ZINC001161150069 938876461 /nfs/dbraw/zinc/87/64/61/938876461.db2.gz DFNCBRHYURCQFZ-KRWDZBQOSA-N 2 0 299.418 1.343 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001161226286 938880565 /nfs/dbraw/zinc/88/05/65/938880565.db2.gz BHUVWKYVTHDGND-UHFFFAOYSA-N 2 0 269.433 1.779 20 30 CDEDRP C[N@@H+]1CCC[C@@](C)(Nc2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001162330171 939025760 /nfs/dbraw/zinc/02/57/60/939025760.db2.gz ASMMMXHTHAYJAY-QGZVFWFLSA-N 2 0 299.422 1.885 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001163248593 939231756 /nfs/dbraw/zinc/23/17/56/939231756.db2.gz RHJZJSGRPUEJKJ-UHFFFAOYSA-N 2 0 287.407 1.133 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001164449548 939473812 /nfs/dbraw/zinc/47/38/12/939473812.db2.gz LKCKBOAEYXBUNA-HNNXBMFYSA-N 2 0 279.428 1.228 20 30 CDEDRP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164574525 939495176 /nfs/dbraw/zinc/49/51/76/939495176.db2.gz PDYRRMAFBFKTOC-GJZGRUSLSA-N 2 0 297.443 1.015 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166010072 939590155 /nfs/dbraw/zinc/59/01/55/939590155.db2.gz GIAZYVTZIWNKSZ-CYBMUJFWSA-N 2 0 255.406 1.245 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001166979123 939665994 /nfs/dbraw/zinc/66/59/94/939665994.db2.gz LOYYDSQTXFNVQG-UHFFFAOYSA-N 2 0 279.428 1.390 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166986129 939667956 /nfs/dbraw/zinc/66/79/56/939667956.db2.gz NCUBVVVBBUCOFA-UHFFFAOYSA-N 2 0 267.417 1.390 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203325229 939682863 /nfs/dbraw/zinc/68/28/63/939682863.db2.gz KQDYQNYXPYSWQF-GJZGRUSLSA-N 2 0 293.455 1.921 20 30 CDEDRP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203327431 939683019 /nfs/dbraw/zinc/68/30/19/939683019.db2.gz YCAGTEODGZJNMZ-CABCVRRESA-N 2 0 291.439 1.369 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001203407221 939684868 /nfs/dbraw/zinc/68/48/68/939684868.db2.gz FQWKBZWVJJPONG-UHFFFAOYSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203793696 939704967 /nfs/dbraw/zinc/70/49/67/939704967.db2.gz SUGKQRHCLCCQQM-GJZGRUSLSA-N 2 0 293.455 1.920 20 30 CDEDRP N#Cc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1Cl ZINC001205240026 939840831 /nfs/dbraw/zinc/84/08/31/939840831.db2.gz GWBJPMLFYVLNGH-OAHLLOKOSA-N 2 0 293.798 1.887 20 30 CDEDRP N#Cc1cccc2c(C[N@H+]3CCCC[C@](O)(C[NH3+])C3)c[nH]c21 ZINC001205682256 939917408 /nfs/dbraw/zinc/91/74/08/939917408.db2.gz QUAOZBCRRHIQGB-KRWDZBQOSA-N 2 0 298.390 1.715 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207600901 940220166 /nfs/dbraw/zinc/22/01/66/940220166.db2.gz CGWSUWWTNJWADV-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207600946 940220537 /nfs/dbraw/zinc/22/05/37/940220537.db2.gz DZRMTMMHBRGEJJ-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208486005 940335189 /nfs/dbraw/zinc/33/51/89/940335189.db2.gz ZMSBAQUWTYCHFH-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001208563875 940341298 /nfs/dbraw/zinc/34/12/98/940341298.db2.gz GMFQCPITINPHAV-OAHLLOKOSA-N 2 0 296.374 1.552 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209455425 940592688 /nfs/dbraw/zinc/59/26/88/940592688.db2.gz SEWVQAKSQUOIMY-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214757833 940838851 /nfs/dbraw/zinc/83/88/51/940838851.db2.gz YDVPICKMGJKAEN-HZSPNIEDSA-N 2 0 285.407 1.289 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001216002246 940915743 /nfs/dbraw/zinc/91/57/43/940915743.db2.gz POURSKRJICTERQ-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218559360 941236551 /nfs/dbraw/zinc/23/65/51/941236551.db2.gz JAHMNRFEEKINSJ-NSHDSACASA-N 2 0 277.372 1.119 20 30 CDEDRP C#Cc1ccc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cc1F ZINC001219384118 941338119 /nfs/dbraw/zinc/33/81/19/941338119.db2.gz JIFJSUXQZABUNY-CQSZACIVSA-N 2 0 275.327 1.072 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219649648 941370011 /nfs/dbraw/zinc/37/00/11/941370011.db2.gz KRNOJZPQSFUWJH-TZMCWYRMSA-N 2 0 265.401 1.000 20 30 CDEDRP C=CC[C@@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])c1ccccc1 ZINC001221357430 941521924 /nfs/dbraw/zinc/52/19/24/941521924.db2.gz GWUQEQHNVHRSSW-UONOGXRCSA-N 2 0 261.369 1.486 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221408623 941532350 /nfs/dbraw/zinc/53/23/50/941532350.db2.gz JTHGPZZSUACHJG-HOTGVXAUSA-N 2 0 293.455 1.955 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001224558856 941769927 /nfs/dbraw/zinc/76/99/27/941769927.db2.gz JOVDXQJSAMORRH-HNNXBMFYSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001225088019 941822883 /nfs/dbraw/zinc/82/28/83/941822883.db2.gz URNWNGBROIYVQE-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001226782300 942069807 /nfs/dbraw/zinc/06/98/07/942069807.db2.gz JTTZEVNHUMFSQW-ZIAGYGMSSA-N 2 0 279.428 1.674 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001230046544 942577170 /nfs/dbraw/zinc/57/71/70/942577170.db2.gz CSKFNCIMXGXKFQ-UHFFFAOYSA-N 2 0 291.439 1.629 20 30 CDEDRP C#CC[NH2+]CC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC001263094777 943741809 /nfs/dbraw/zinc/74/18/09/943741809.db2.gz RUGYUFBYSYOAMA-UHFFFAOYSA-N 2 0 287.407 1.366 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001263095177 943741893 /nfs/dbraw/zinc/74/18/93/943741893.db2.gz FYQYHMPSXSIEGN-KFWWJZLASA-N 2 0 281.444 1.907 20 30 CDEDRP C=CC[NH2+]CCN1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000382745901 943942760 /nfs/dbraw/zinc/94/27/60/943942760.db2.gz TUNQXRPSBVHIFR-MRXNPFEDSA-N 2 0 273.424 1.968 20 30 CDEDRP CCc1cc(C#N)ccc1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001236001494 944369619 /nfs/dbraw/zinc/36/96/19/944369619.db2.gz HZONBZIINHIKEG-SJPCQFCGSA-N 2 0 285.391 1.526 20 30 CDEDRP C=CC[NH2+]CCN(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236455216 944498243 /nfs/dbraw/zinc/49/82/43/944498243.db2.gz RPOIGSKFYAVIFI-UHFFFAOYSA-N 2 0 253.434 1.862 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCOCCOCCC[NH3+] ZINC001258718960 945390166 /nfs/dbraw/zinc/39/01/66/945390166.db2.gz YXIDXSRQLCJAKO-CQSZACIVSA-N 2 0 258.406 1.703 20 30 CDEDRP CCC[NH+]1CCC(NC2(C#N)CC[NH+](C)CC2)CC1 ZINC001258771099 945406261 /nfs/dbraw/zinc/40/62/61/945406261.db2.gz ZRYATUWRMFULIT-UHFFFAOYSA-N 2 0 264.417 1.438 20 30 CDEDRP N#Cc1cc(C2=CC[NH2+]CC2)ccc1N1CC[NH2+]CC1 ZINC001240467730 945859877 /nfs/dbraw/zinc/85/98/77/945859877.db2.gz QDGJOHLLZULPTJ-UHFFFAOYSA-N 2 0 268.364 1.345 20 30 CDEDRP N#Cc1cc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1N1CC[NH2+]CC1 ZINC001242023462 946562699 /nfs/dbraw/zinc/56/26/99/946562699.db2.gz CMJNQWYPKBSFAX-SJORKVTESA-N 2 0 294.402 1.876 20 30 CDEDRP CC[C@H](CC#N)[NH2+]CCCOCCOCCC[NH3+] ZINC001255156393 947755801 /nfs/dbraw/zinc/75/58/01/947755801.db2.gz OPDYSISWZHFBMW-CYBMUJFWSA-N 2 0 257.378 1.040 20 30 CDEDRP C=C(C)C(=O)NCCC[NH2+][C@@H](C)CC[NH+](CC)CC ZINC001255945303 948131720 /nfs/dbraw/zinc/13/17/20/948131720.db2.gz JQIRZDLIPWRRPS-AWEZNQCLSA-N 2 0 269.433 1.779 20 30 CDEDRP C=CC[NH+]1CCN([C@H](C)CC[NH+](CC)CC)CC1 ZINC001255962334 948139919 /nfs/dbraw/zinc/13/99/19/948139919.db2.gz ULKULRALXJNMSG-OAHLLOKOSA-N 2 0 253.434 1.910 20 30 CDEDRP N#C[C@@H]1C[C@@H]([NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)CCN1 ZINC001246666643 948396847 /nfs/dbraw/zinc/39/68/47/948396847.db2.gz ROEHJXDFPWDOMH-JYJNAYRXSA-N 2 0 276.428 1.485 20 30 CDEDRP CC[N@H+](CCC#N)C1CCC([NH+]2CCOCC2)CC1 ZINC001256695076 948402938 /nfs/dbraw/zinc/40/29/38/948402938.db2.gz MEJRFPGSMHMELP-UHFFFAOYSA-N 2 0 265.401 1.865 20 30 CDEDRP CCCCCCC[N@H+](C)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246780734 948435338 /nfs/dbraw/zinc/43/53/38/948435338.db2.gz WKJMIMWNFQSRLN-AWEZNQCLSA-N 2 0 253.434 1.983 20 30 CDEDRP C=CCOC[C@@H](O)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001252470701 951321332 /nfs/dbraw/zinc/32/13/32/951321332.db2.gz NNBOUQHINGFMPP-BBWFWOEESA-N 2 0 296.455 1.889 20 30 CDEDRP C=C[C@@](C)(O)C[NH2+]CC1CC[NH+](C2CCC2)CC1 ZINC001252578701 951472243 /nfs/dbraw/zinc/47/22/43/951472243.db2.gz GSFQILHWWCAOIB-OAHLLOKOSA-N 2 0 252.402 1.778 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001480662554 971825974 /nfs/dbraw/zinc/82/59/74/971825974.db2.gz XSCJBZPMXHCIMV-ZDUSSCGKSA-N 2 0 287.835 1.519 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001328203914 955224559 /nfs/dbraw/zinc/22/45/59/955224559.db2.gz KYZZTXBMBHGTRV-LSDHHAIUSA-N 2 0 294.443 1.114 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001340042194 962706627 /nfs/dbraw/zinc/70/66/27/962706627.db2.gz UYLRIHDZJILXHQ-MCIONIFRSA-N 2 0 265.401 1.413 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CCC23CCC3)CC1 ZINC001340218079 962822993 /nfs/dbraw/zinc/82/29/93/962822993.db2.gz KCXULMGMYVKBPP-HNNXBMFYSA-N 2 0 291.439 1.533 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001100507095 968538797 /nfs/dbraw/zinc/53/87/97/968538797.db2.gz VPXPWWWMBBQKMG-UHFFFAOYSA-N 2 0 296.374 1.456 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001100562630 968708515 /nfs/dbraw/zinc/70/85/15/968708515.db2.gz UTYBZVGRUYEZSM-UHFFFAOYSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCCC[NH2+]C1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001100678759 968933534 /nfs/dbraw/zinc/93/35/34/968933534.db2.gz VYFSFPUKKCNYKA-QQFBHYJXSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC001357443486 969589723 /nfs/dbraw/zinc/58/97/23/969589723.db2.gz BDFUKLNVEUACJW-JSGCOSHPSA-N 2 0 253.390 1.176 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001399246264 976396446 /nfs/dbraw/zinc/39/64/46/976396446.db2.gz INECLZLWAIILMJ-QWHCGFSZSA-N 2 0 285.819 1.271 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132423890 1163275995 /nfs/dbraw/zinc/27/59/95/1163275995.db2.gz CPUIQZKWAJJMRK-GJZGRUSLSA-N 2 0 297.443 1.110 20 30 CDEDRP CC#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001132437335 1163290419 /nfs/dbraw/zinc/29/04/19/1163290419.db2.gz RXTALHXYSBCGGA-CVEARBPZSA-N 2 0 293.455 1.711 20 30 CDEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132931482 1163511469 /nfs/dbraw/zinc/51/14/69/1163511469.db2.gz AFXNMKXGAKUVTP-CABCVRRESA-N 2 0 293.455 1.424 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001133229007 1163608473 /nfs/dbraw/zinc/60/84/73/1163608473.db2.gz DTQAZJADDGVBFF-HOTGVXAUSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CC[C@@]1(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CCC[NH2+]1 ZINC001574516431 1170991146 /nfs/dbraw/zinc/99/11/46/1170991146.db2.gz FNWZRQNICLGHLT-YOEHRIQHSA-N 2 0 291.439 1.369 20 30 CDEDRP N#Cc1cccc(C[NH+]2CCC(N[C@@H]3CCC[C@H]3[NH3+])CC2)c1 ZINC000593323590 342788354 /nfs/dbraw/zinc/78/83/54/342788354.db2.gz QPNQBXVGCQVXFT-QZTJIDSGSA-N 2 0 298.434 1.992 20 30 CDEDRP C=CCCSCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000596649243 343370605 /nfs/dbraw/zinc/37/06/05/343370605.db2.gz DDJASXGSODDFRI-JHJVBQTASA-N 2 0 258.431 1.638 20 30 CDEDRP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000600768897 349878422 /nfs/dbraw/zinc/87/84/22/349878422.db2.gz HQFFBJQXVKRWLA-STQMWFEESA-N 2 0 259.353 1.973 20 30 CDEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]CCC[NH+]1CCCC1 ZINC000598704896 343877136 /nfs/dbraw/zinc/87/71/36/343877136.db2.gz WDUKCJJSBQBWBB-CYBMUJFWSA-N 2 0 253.390 1.363 20 30 CDEDRP CC(C)(C#N)C[C@H](O)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000598724405 343885112 /nfs/dbraw/zinc/88/51/12/343885112.db2.gz OSEAEGZUCORVJB-AWEZNQCLSA-N 2 0 281.444 1.999 20 30 CDEDRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@H](C)CCC#N)CC1 ZINC000602567265 344483836 /nfs/dbraw/zinc/48/38/36/344483836.db2.gz JIZYCSLVSCOVMJ-CQSZACIVSA-N 2 0 267.417 1.751 20 30 CDEDRP N#C[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000253354621 350493118 /nfs/dbraw/zinc/49/31/18/350493118.db2.gz FCENHRKDDBJGJY-PMPSAXMXSA-N 2 0 279.428 1.895 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C#N)cc1 ZINC000264105469 362968193 /nfs/dbraw/zinc/96/81/93/362968193.db2.gz PHFPGTLWBZUTOM-HNNXBMFYSA-N 2 0 285.395 1.447 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1csc(C)n1 ZINC000264115239 362971120 /nfs/dbraw/zinc/97/11/20/362971120.db2.gz PPHPLLCWHUHEMI-ZDUSSCGKSA-N 2 0 295.456 1.383 20 30 CDEDRP C=CCN(CC=C)C(=O)[C@@H](C)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152500250 359085333 /nfs/dbraw/zinc/08/53/33/359085333.db2.gz NLYPOKSTMSQWQE-HZPDHXFCSA-N 2 0 293.455 1.849 20 30 CDEDRP C#CCN(CC)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000274685649 359515216 /nfs/dbraw/zinc/51/52/16/359515216.db2.gz YITAVEIACBWLQV-INIZCTEOSA-N 2 0 287.407 1.361 20 30 CDEDRP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000329187720 361456679 /nfs/dbraw/zinc/45/66/79/361456679.db2.gz QEENECZSQCCJIL-DZGCQCFKSA-N 2 0 295.427 1.417 20 30 CDEDRP CC#CCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000155889563 361684776 /nfs/dbraw/zinc/68/47/76/361684776.db2.gz MIMJNKWNYCPPLY-UHFFFAOYSA-N 2 0 264.413 1.977 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000567669146 371088883 /nfs/dbraw/zinc/08/88/83/371088883.db2.gz QDQBTONMYTVLCY-CYBMUJFWSA-N 2 0 272.352 1.292 20 30 CDEDRP N#Cc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)o1 ZINC000304255986 374055775 /nfs/dbraw/zinc/05/57/75/374055775.db2.gz AQFXBBKSLZSAPQ-CYBMUJFWSA-N 2 0 277.368 1.478 20 30 CDEDRP C[C@H](NC[C@H]1C[NH2+]CCN1C)c1cccc(C#N)c1 ZINC000423517585 374387476 /nfs/dbraw/zinc/38/74/76/374387476.db2.gz OCGZMXDJJNYQQI-SWLSCSKDSA-N 2 0 258.369 1.112 20 30 CDEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123791718 374720290 /nfs/dbraw/zinc/72/02/90/374720290.db2.gz IDWVLJMDZFFEQL-UONOGXRCSA-N 2 0 290.411 1.365 20 30 CDEDRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)ccn2)CC1 ZINC000571743755 377521025 /nfs/dbraw/zinc/52/10/25/377521025.db2.gz KZSYXDMQEGKGND-GDBMZVCRSA-N 2 0 299.422 1.615 20 30 CDEDRP CN(CC[N@H+](C)CCCCC#N)C1CC[NH+](C)CC1 ZINC000119718951 390639907 /nfs/dbraw/zinc/63/99/07/390639907.db2.gz GLISROLKSGGBPE-UHFFFAOYSA-N 2 0 266.433 1.638 20 30 CDEDRP C[C@@H]([NH2+]C1(CNC(N)=[NH2+])CCOCC1)c1ccccc1 ZINC000304013613 391149530 /nfs/dbraw/zinc/14/95/30/391149530.db2.gz IMDUXWNRRGNLOX-GFCCVEGCSA-N 2 0 276.384 1.160 20 30 CDEDRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000177011900 391162427 /nfs/dbraw/zinc/16/24/27/391162427.db2.gz ALDRVKGZNIYSBH-CYBMUJFWSA-N 2 0 275.400 1.786 20 30 CDEDRP C=CCN1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647788609 391471199 /nfs/dbraw/zinc/47/11/99/391471199.db2.gz NCMPAKIOTPFTAZ-IJEWVQPXSA-N 2 0 263.429 1.615 20 30 CDEDRP CN1CC[NH+]=C1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000262679549 391811340 /nfs/dbraw/zinc/81/13/40/391811340.db2.gz VMYGYYLSTQTJJW-OAHLLOKOSA-N 2 0 272.396 1.715 20 30 CDEDRP C=CC[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000661377928 414034174 /nfs/dbraw/zinc/03/41/74/414034174.db2.gz WVBPQINZKYSXHB-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000364147857 262157047 /nfs/dbraw/zinc/15/70/47/262157047.db2.gz ZASREFUTAGPFQD-UHFFFAOYSA-N 2 0 252.402 1.997 20 30 CDEDRP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000330727330 264026673 /nfs/dbraw/zinc/02/66/73/264026673.db2.gz GCKUAMCVBLBAAW-ZDUSSCGKSA-N 2 0 280.416 1.021 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655446888 423865686 /nfs/dbraw/zinc/86/56/86/423865686.db2.gz MBWNJDOFDMBJHN-HOCLYGCPSA-N 2 0 277.412 1.143 20 30 CDEDRP CC#CCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000368139092 267147618 /nfs/dbraw/zinc/14/76/18/267147618.db2.gz NHCDFLQDEMPDCL-CVEARBPZSA-N 2 0 263.429 1.358 20 30 CDEDRP C[NH+]=C(NCC[NH+]1CCCC1)NC[C@@H]1CCCS1 ZINC000179187206 329205873 /nfs/dbraw/zinc/20/58/73/329205873.db2.gz ZVBLDPYXNLKVTG-LBPRGKRZSA-N 2 0 270.446 1.143 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001673379995 1173850878 /nfs/dbraw/zinc/85/08/78/1173850878.db2.gz GIYQAMNUCJSBPY-HOTGVXAUSA-N 2 0 293.455 1.567 20 30 CDEDRP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N1CC[C@@H](COC)C1 ZINC000262474655 330015855 /nfs/dbraw/zinc/01/58/55/330015855.db2.gz PVMKWMNGSJFJBZ-CQSZACIVSA-N 2 0 296.459 1.405 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CCOC1)NCC1([NH+](C)C)CCCC1 ZINC000262787985 330031492 /nfs/dbraw/zinc/03/14/92/330031492.db2.gz JYDRDHHAICZSKU-ZDUSSCGKSA-N 2 0 282.432 1.062 20 30 CDEDRP C=CCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423149066 330172763 /nfs/dbraw/zinc/17/27/63/330172763.db2.gz AGTDLDWSOQXFGY-JSGCOSHPSA-N 2 0 263.385 1.826 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)NCC[NH2+]C1CCCCCC1 ZINC000424085799 330223183 /nfs/dbraw/zinc/22/31/83/330223183.db2.gz ZRQNAARPGKBUQE-AWEZNQCLSA-N 2 0 280.416 1.436 20 30 CDEDRP C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C(C)(C)C[NH+](C)C ZINC000424145728 330291516 /nfs/dbraw/zinc/29/15/16/330291516.db2.gz OILXAGLXCCSZIS-VXGBXAGGSA-N 2 0 268.405 1.100 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000424187820 330321126 /nfs/dbraw/zinc/32/11/26/330321126.db2.gz BLISUIFFTMKNNM-HUUCEWRRSA-N 2 0 286.379 1.181 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000490594272 332094027 /nfs/dbraw/zinc/09/40/27/332094027.db2.gz NZBCNSHOIDQWCS-HNNXBMFYSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000490657646 332101059 /nfs/dbraw/zinc/10/10/59/332101059.db2.gz YAOXQZDAKNFJFJ-OAHLLOKOSA-N 2 0 291.439 1.132 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000491221689 332169240 /nfs/dbraw/zinc/16/92/40/332169240.db2.gz YXDWPEROEOXFRZ-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCN(C)CCC[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000491692655 332289110 /nfs/dbraw/zinc/28/91/10/332289110.db2.gz RQYAZQJNJUDYEN-HNNXBMFYSA-N 2 0 280.799 1.918 20 30 CDEDRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000548450026 334157044 /nfs/dbraw/zinc/15/70/44/334157044.db2.gz IJVRHIVVJRAEEB-LBPRGKRZSA-N 2 0 280.416 1.257 20 30 CDEDRP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252861081 334397601 /nfs/dbraw/zinc/39/76/01/334397601.db2.gz NJCMYOFZTQTKAG-SOUVJXGZSA-N 2 0 277.412 1.246 20 30 CDEDRP CC#CC[N@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001753864182 1185372709 /nfs/dbraw/zinc/37/27/09/1185372709.db2.gz COBICDKLPMYXDP-UHFFFAOYSA-N 2 0 279.428 1.132 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000764311270 575898960 /nfs/dbraw/zinc/89/89/60/575898960.db2.gz SDTYBSSJIXUDQC-KBPBESRZSA-N 2 0 281.444 1.588 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000970454254 612964147 /nfs/dbraw/zinc/96/41/47/612964147.db2.gz BQWXLFFGGPHYPC-AEFFLSMTSA-N 2 0 299.418 1.287 20 30 CDEDRP C#CC[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000948775347 613178012 /nfs/dbraw/zinc/17/80/12/613178012.db2.gz GMSHGURNJHMNGI-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC000947502404 613238242 /nfs/dbraw/zinc/23/82/42/613238242.db2.gz NZZDNXDGBOYCKE-UKRRQHHQSA-N 2 0 296.374 1.550 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000970336091 613384646 /nfs/dbraw/zinc/38/46/46/613384646.db2.gz YSFHMQZBQNGNRS-CQSZACIVSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981143789 613493701 /nfs/dbraw/zinc/49/37/01/613493701.db2.gz VASFMTLZACDNLD-INIZCTEOSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC000978343444 613560710 /nfs/dbraw/zinc/56/07/10/613560710.db2.gz CNEKESTVRNLBQU-LVQVYYBASA-N 2 0 291.439 1.341 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000980477971 613627272 /nfs/dbraw/zinc/62/72/72/613627272.db2.gz LFXAIZQNVXGUGC-HNNXBMFYSA-N 2 0 279.428 1.581 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000971682672 613628998 /nfs/dbraw/zinc/62/89/98/613628998.db2.gz OZRYEZBWKFKOEX-HOTGVXAUSA-N 2 0 293.455 1.968 20 30 CDEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000969659430 613669243 /nfs/dbraw/zinc/66/92/43/613669243.db2.gz FRORVIVUYKCSFR-DZGCQCFKSA-N 2 0 279.428 1.482 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C)C(C)(C)C1 ZINC000974727721 613808257 /nfs/dbraw/zinc/80/82/57/613808257.db2.gz CQCXETUNJQJGHO-ZIAGYGMSSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC000965065066 613857896 /nfs/dbraw/zinc/85/78/96/613857896.db2.gz UPQGFUZETFAPCY-DPGVGJJJSA-N 2 0 291.439 1.674 20 30 CDEDRP C[N@@H+]1CCC[C@@H]1CNC(NC(C)(C)C)=[NH+]CC1CC1 ZINC000912507002 630048199 /nfs/dbraw/zinc/04/81/99/630048199.db2.gz SCFDHQRORBTWLN-CYBMUJFWSA-N 2 0 266.433 1.824 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211065353 1158676664 /nfs/dbraw/zinc/67/66/64/1158676664.db2.gz VBIHKOKDIIPSNE-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001104348464 1158779921 /nfs/dbraw/zinc/77/99/21/1158779921.db2.gz GIANHOCDVRXYDL-BZUAXINKSA-N 2 0 295.471 1.977 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001086659061 1162802687 /nfs/dbraw/zinc/80/26/87/1162802687.db2.gz IYPHTUCQWLVNCK-BFHYXJOUSA-N 2 0 299.846 1.708 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001086659410 1162802860 /nfs/dbraw/zinc/80/28/60/1162802860.db2.gz VHDFZVCAHVCBHZ-BFHYXJOUSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001109466037 1162033271 /nfs/dbraw/zinc/03/32/71/1162033271.db2.gz GTCMEWJOGFDTJB-RDBSUJKOSA-N 2 0 279.428 1.624 20 30 CDEDRP CC#CC[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132377001 1163260960 /nfs/dbraw/zinc/26/09/60/1163260960.db2.gz SHWZIOZUYQEEEF-HUUCEWRRSA-N 2 0 279.428 1.321 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773142 1164104349 /nfs/dbraw/zinc/10/43/49/1164104349.db2.gz LYEIGGVYNGTKNA-KGLIPLIRSA-N 2 0 281.444 1.613 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135706102 1164169947 /nfs/dbraw/zinc/16/99/47/1164169947.db2.gz OXCPGBJPLQXHIR-ZIAGYGMSSA-N 2 0 269.433 1.777 20 30 CDEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175262441 1164303588 /nfs/dbraw/zinc/30/35/88/1164303588.db2.gz HCFFYGIUDYUNIC-CABCVRRESA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001566910422 1168463228 /nfs/dbraw/zinc/46/32/28/1168463228.db2.gz SOAMFDJYEJQDJK-CABCVRRESA-N 2 0 281.444 1.731 20 30 CDEDRP C#CCN(C[C@H]1CCC[C@@]2(CCOC2)O1)C1CC[NH2+]CC1 ZINC001574667274 1170999024 /nfs/dbraw/zinc/99/90/24/1170999024.db2.gz OKPURBHIRPMKFU-SJORKVTESA-N 2 0 292.423 1.402 20 30 CDEDRP C=CC[C@H](C(=O)OC)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC001574887944 1171037200 /nfs/dbraw/zinc/03/72/00/1171037200.db2.gz DOYCIVHJIZHWDF-DOMZBBRYSA-N 2 0 268.401 1.801 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001714329287 1179086546 /nfs/dbraw/zinc/08/65/46/1179086546.db2.gz JHIXODUDZPSANT-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001752460751 1184865821 /nfs/dbraw/zinc/86/58/21/1184865821.db2.gz RRGHBPPJKGZIFI-CVEARBPZSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001752470561 1184867302 /nfs/dbraw/zinc/86/73/02/1184867302.db2.gz HHZQUMILQPUYEX-JKSUJKDBSA-N 2 0 291.439 1.224 20 30 CDEDRP C=CCCC[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001752786674 1184914282 /nfs/dbraw/zinc/91/42/82/1184914282.db2.gz XHYGQJQFBGQGPJ-OAHLLOKOSA-N 2 0 281.444 1.733 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001752980061 1184982363 /nfs/dbraw/zinc/98/23/63/1184982363.db2.gz IWGIROISXQKVIV-CABCVRRESA-N 2 0 281.444 1.921 20 30 CDEDRP C=CCCC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001753158760 1185092786 /nfs/dbraw/zinc/09/27/86/1185092786.db2.gz FOJVDBDIRJPCQI-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001753329802 1185157817 /nfs/dbraw/zinc/15/78/17/1185157817.db2.gz DZEMXOSMBZOYTK-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001753331903 1185158012 /nfs/dbraw/zinc/15/80/12/1185158012.db2.gz CVMNEJQAPIUVKI-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH2+]C[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001753645070 1185282470 /nfs/dbraw/zinc/28/24/70/1185282470.db2.gz RREYHXABWGAKIZ-AWEZNQCLSA-N 2 0 267.417 1.390 20 30 CDEDRP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001753713128 1185312945 /nfs/dbraw/zinc/31/29/45/1185312945.db2.gz YVHCYXISSTVWAN-CJNGLKHVSA-N 2 0 297.418 1.269 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001753810753 1185341824 /nfs/dbraw/zinc/34/18/24/1185341824.db2.gz BVGCQARNMCGKSE-JKSUJKDBSA-N 2 0 293.455 1.568 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001754500154 1185646293 /nfs/dbraw/zinc/64/62/93/1185646293.db2.gz LHBBBALTTCEOCP-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001754561330 1185667578 /nfs/dbraw/zinc/66/75/78/1185667578.db2.gz PJMCLEPVONAZKT-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=CCOCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001755163040 1185837274 /nfs/dbraw/zinc/83/72/74/1185837274.db2.gz CHGFPOMNQMBSBS-HUUCEWRRSA-N 2 0 297.443 1.110 20 30 CDEDRP CC#CC[N@H+](C)[C@@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001755329245 1185920705 /nfs/dbraw/zinc/92/07/05/1185920705.db2.gz XMRYJPCKLMKEOE-INIZCTEOSA-N 2 0 293.455 1.712 20 30 CDEDRP C=CCCN1CC(NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001030401830 783529156 /nfs/dbraw/zinc/52/91/56/783529156.db2.gz ZNGCXLINQLCXTN-AWEZNQCLSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)C[N@H+]1CCCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000989728712 782497290 /nfs/dbraw/zinc/49/72/90/782497290.db2.gz SKFPICBKBXIBCK-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CCN1CCC[C@@H]([NH2+]C2CC[NH+](CCC)CC2)C1 ZINC000886659308 782551126 /nfs/dbraw/zinc/55/11/26/782551126.db2.gz IZXXVTQPFOKBSL-MRXNPFEDSA-N 2 0 263.429 1.548 20 30 CDEDRP C[NH+](C)CC1(O)CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000710657221 780495922 /nfs/dbraw/zinc/49/59/22/780495922.db2.gz GRVWAFDGUKZWST-UHFFFAOYSA-N 2 0 267.417 1.705 20 30 CDEDRP C=C(C)C[C@H](CO)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000883389046 782668498 /nfs/dbraw/zinc/66/84/98/782668498.db2.gz JGJPRKQVIYBSEM-OAHLLOKOSA-N 2 0 252.402 1.778 20 30 CDEDRP C#CCN(C(=O)C[N@@H+](CC)C1CC1)C1CC[NH+](C)CC1 ZINC000886579821 782834010 /nfs/dbraw/zinc/83/40/10/782834010.db2.gz JNWVWAYRZMLIGA-UHFFFAOYSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000997179468 782954082 /nfs/dbraw/zinc/95/40/82/782954082.db2.gz ANOHRNAFOUOGDQ-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C[NH+]=C(NC[C@H](C1CC1)[NH+](C)C)N1CC[C@]2(CCOC2)C1 ZINC000261947507 783031025 /nfs/dbraw/zinc/03/10/25/783031025.db2.gz GIBKOAZRSJZCGU-ZBFHGGJFSA-N 2 0 294.443 1.014 20 30 CDEDRP C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001024812445 783057296 /nfs/dbraw/zinc/05/72/96/783057296.db2.gz PIKQXGLGVZTTRP-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CC ZINC001037854560 783114340 /nfs/dbraw/zinc/11/43/40/783114340.db2.gz QQMAZJSXXTWKQW-LSDHHAIUSA-N 2 0 291.439 1.321 20 30 CDEDRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])N2CCCCCC2)C1 ZINC000305045310 783158400 /nfs/dbraw/zinc/15/84/00/783158400.db2.gz FEZLHXASSVWYEX-AWEZNQCLSA-N 2 0 266.433 1.909 20 30 CDEDRP C#CCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000780331028 780221773 /nfs/dbraw/zinc/22/17/73/780221773.db2.gz MIDVFBBZSRZNEC-UHFFFAOYSA-N 2 0 264.413 1.834 20 30 CDEDRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])N(C)C2CC2)C1 ZINC000305806800 780234182 /nfs/dbraw/zinc/23/41/82/780234182.db2.gz GWNHQYLFDOLREL-GFCCVEGCSA-N 2 0 252.406 1.373 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015899997 780287246 /nfs/dbraw/zinc/28/72/46/780287246.db2.gz RDZKCQCNUGZHQJ-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001003742574 780477849 /nfs/dbraw/zinc/47/78/49/780477849.db2.gz XYDAGBQNOSFTAU-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C[NH+]1CCC(N2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000219797685 780487622 /nfs/dbraw/zinc/48/76/22/780487622.db2.gz ZAXDEUQXOZETQY-UHFFFAOYSA-N 2 0 284.407 1.774 20 30 CDEDRP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049552732 780641938 /nfs/dbraw/zinc/64/19/38/780641938.db2.gz VRVJEPJPMYDKNI-KFWWJZLASA-N 2 0 277.412 1.025 20 30 CDEDRP CCN(CC)C(=[NH2+])NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000303893719 780707564 /nfs/dbraw/zinc/70/75/64/780707564.db2.gz SCRUFVYFMHWUCS-ZDUSSCGKSA-N 2 0 254.422 1.763 20 30 CDEDRP C#CC[NH2+]C1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001026560383 780749908 /nfs/dbraw/zinc/74/99/08/780749908.db2.gz MCIAWBZQTXLNFI-UHFFFAOYSA-N 2 0 291.439 1.369 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001072854029 780761075 /nfs/dbraw/zinc/76/10/75/780761075.db2.gz ANIMZTNPBNMTPT-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003633346 781123671 /nfs/dbraw/zinc/12/36/71/781123671.db2.gz GAGZFHRUJKJNIQ-UKRRQHHQSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001018971483 781251620 /nfs/dbraw/zinc/25/16/20/781251620.db2.gz CIDNBKDOJFROAL-LBPRGKRZSA-N 2 0 285.819 1.414 20 30 CDEDRP C#CC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001034399360 781315064 /nfs/dbraw/zinc/31/50/64/781315064.db2.gz SVHFBUAANXUCMX-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001031713522 781395079 /nfs/dbraw/zinc/39/50/79/781395079.db2.gz AXRUDAQNRPUGSS-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001041139475 781445712 /nfs/dbraw/zinc/44/57/12/781445712.db2.gz GZZULNQMZBTYOY-NVXWUHKLSA-N 2 0 289.423 1.028 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023747099 781811295 /nfs/dbraw/zinc/81/12/95/781811295.db2.gz ZRUXFPNDYNQPIM-GJZGRUSLSA-N 2 0 279.428 1.342 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001050456627 781889505 /nfs/dbraw/zinc/88/95/05/781889505.db2.gz OACRGGBZANEDNM-OAHLLOKOSA-N 2 0 291.439 1.581 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC)C2)C1 ZINC001041368334 783320718 /nfs/dbraw/zinc/32/07/18/783320718.db2.gz MPHVSDKEAMXLNR-DOTOQJQBSA-N 2 0 289.423 1.028 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001052712501 783511097 /nfs/dbraw/zinc/51/10/97/783511097.db2.gz JMZSMPKTRKTXAD-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCOC1CCC(N2CCO[C@H](C[NH3+])C2)CC1 ZINC001173312722 912405080 /nfs/dbraw/zinc/40/50/80/912405080.db2.gz KXCVPCYLHHYJNA-JXQTWKCFSA-N 2 0 254.374 1.160 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106112466 912853847 /nfs/dbraw/zinc/85/38/47/912853847.db2.gz LIRGSOIEKUFNFX-BZUAXINKSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992486180 913224312 /nfs/dbraw/zinc/22/43/12/913224312.db2.gz CGJXQIBXYBDXCH-YQQAZPJKSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001121914575 913230060 /nfs/dbraw/zinc/23/00/60/913230060.db2.gz XKFHVVMJCWNSOC-KFWWJZLASA-N 2 0 281.444 1.907 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001020752671 894572658 /nfs/dbraw/zinc/57/26/58/894572658.db2.gz KGXPKGDDGAPVGJ-WKILWMFISA-N 2 0 285.391 1.232 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176057506 913942271 /nfs/dbraw/zinc/94/22/71/913942271.db2.gz PHKJTKUOPHZMFV-UONOGXRCSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CCSCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000303990379 895616054 /nfs/dbraw/zinc/61/60/54/895616054.db2.gz YLHMTNYYZMPSHB-LBPRGKRZSA-N 2 0 270.446 1.294 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001203203201 895755483 /nfs/dbraw/zinc/75/54/83/895755483.db2.gz IPFOJQSJQPJPFJ-UHFFFAOYSA-N 2 0 253.390 1.095 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C ZINC001039343256 895771528 /nfs/dbraw/zinc/77/15/28/895771528.db2.gz NBZBQCAOCHJOIQ-OWCLPIDISA-N 2 0 291.439 1.722 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001167620210 897066854 /nfs/dbraw/zinc/06/68/54/897066854.db2.gz QDZIDKGAFYFGRP-OAHLLOKOSA-N 2 0 279.428 1.370 20 30 CDEDRP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001023446422 897567617 /nfs/dbraw/zinc/56/76/17/897567617.db2.gz PIIKMHMJAZLWIP-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP CCCCCCC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000310888582 898561580 /nfs/dbraw/zinc/56/15/80/898561580.db2.gz XEQIYNURCFHKMT-OAHLLOKOSA-N 2 0 253.434 1.936 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176760082 914263363 /nfs/dbraw/zinc/26/33/63/914263363.db2.gz PQDLNXVQBXCYCN-JKSUJKDBSA-N 2 0 293.455 1.759 20 30 CDEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001104690574 898890255 /nfs/dbraw/zinc/89/02/55/898890255.db2.gz HWCKCFTTXRGJAM-OAGGEKHMSA-N 2 0 293.455 1.424 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C[C@@H](C)CC)CC1 ZINC001176926646 914358697 /nfs/dbraw/zinc/35/86/97/914358697.db2.gz REAWSDIAOHAYCE-HNNXBMFYSA-N 2 0 293.455 1.474 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCC(C)C)CC1 ZINC001176926816 914360032 /nfs/dbraw/zinc/36/00/32/914360032.db2.gz WFQUFLHARCKDIX-UHFFFAOYSA-N 2 0 293.455 1.474 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001104873652 899606291 /nfs/dbraw/zinc/60/62/91/899606291.db2.gz CWLOZCRNMJKXFV-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001167736650 899626029 /nfs/dbraw/zinc/62/60/29/899626029.db2.gz FBKRSYNNUBXOIT-HNNXBMFYSA-N 2 0 291.439 1.228 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176934316 914368495 /nfs/dbraw/zinc/36/84/95/914368495.db2.gz YCLXTNHVSJSGKJ-UHFFFAOYSA-N 2 0 281.444 1.925 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]C(C)C)C2)CC1 ZINC001027234413 900371401 /nfs/dbraw/zinc/37/14/01/900371401.db2.gz WADYKGHOLDZPPQ-OAHLLOKOSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001027583060 900626239 /nfs/dbraw/zinc/62/62/39/900626239.db2.gz RXVRRSBEBPVIME-KGLIPLIRSA-N 2 0 267.417 1.435 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001167811983 901035722 /nfs/dbraw/zinc/03/57/22/901035722.db2.gz FIRPIXSMVZKYNO-UHFFFAOYSA-N 2 0 281.444 1.780 20 30 CDEDRP CC[NH+]=C(NCC1CC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261978958 904655979 /nfs/dbraw/zinc/65/59/79/904655979.db2.gz OKZPXFZRRKUJNW-SMDDNHRTSA-N 2 0 264.417 1.434 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168029792 905936544 /nfs/dbraw/zinc/93/65/44/905936544.db2.gz JZQPGKVCZFOXHA-CABCVRRESA-N 2 0 277.412 1.123 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001088109499 906327664 /nfs/dbraw/zinc/32/76/64/906327664.db2.gz JEBUEKSPNAKWPB-PMPSAXMXSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001040115521 906791200 /nfs/dbraw/zinc/79/12/00/906791200.db2.gz PVWHWIPCVASDEJ-DOTOQJQBSA-N 2 0 291.439 1.581 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC000986353957 907469617 /nfs/dbraw/zinc/46/96/17/907469617.db2.gz JZTNDGUSXHXYDB-OCCSQVGLSA-N 2 0 299.846 1.802 20 30 CDEDRP C[NH+](C)C1CCC(NC(=[NH2+])c2ccc(F)cn2)CC1 ZINC001168298447 908922910 /nfs/dbraw/zinc/92/29/10/908922910.db2.gz UTYJSWMDMMVCDD-UHFFFAOYSA-N 2 0 264.348 1.799 20 30 CDEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001088811006 909519785 /nfs/dbraw/zinc/51/97/85/909519785.db2.gz GCYCIKROQFGDOE-PMPSAXMXSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001036896880 910651872 /nfs/dbraw/zinc/65/18/72/910651872.db2.gz VYDXODAIQAETKW-HOTGVXAUSA-N 2 0 291.439 1.581 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171684581 910911046 /nfs/dbraw/zinc/91/10/46/910911046.db2.gz UKJNHQKODSZWGB-CQSZACIVSA-N 2 0 298.390 1.846 20 30 CDEDRP Cc1cc(-c2noc(CC3([NH3+])CC[NH2+]CC3)n2)ccc1C#N ZINC001212168805 911587513 /nfs/dbraw/zinc/58/75/13/911587513.db2.gz LADJHZVFJXKYIB-UHFFFAOYSA-N 2 0 297.362 1.540 20 30 CDEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=[NH2+])N(C)C)C1 ZINC000170903811 912091771 /nfs/dbraw/zinc/09/17/71/912091771.db2.gz TZZZFKFTOSCVRU-BETUJISGSA-N 2 0 254.422 1.621 20 30 CDEDRP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001099028539 912134295 /nfs/dbraw/zinc/13/42/95/912134295.db2.gz ZULXUCYCDFMXEZ-ZOBUZTSGSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001179549487 915881465 /nfs/dbraw/zinc/88/14/65/915881465.db2.gz ARASSUNCPUJZQS-KBPBESRZSA-N 2 0 279.428 1.177 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)[C@H]1C ZINC001179749071 915964500 /nfs/dbraw/zinc/96/45/00/915964500.db2.gz WKKGLOCORDLZPD-HOTGVXAUSA-N 2 0 293.455 1.711 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001180060951 916139226 /nfs/dbraw/zinc/13/92/26/916139226.db2.gz VRUWYUXOJRKJKV-HNNXBMFYSA-N 2 0 279.428 1.228 20 30 CDEDRP CCCNC(=[NH2+])NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000303907920 935047085 /nfs/dbraw/zinc/04/70/85/935047085.db2.gz XFRBXVMDJYCSPB-ZDUSSCGKSA-N 2 0 254.422 1.811 20 30 CDEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001182637469 917997055 /nfs/dbraw/zinc/99/70/55/917997055.db2.gz GBWNIPFVHSAVGO-IJEWVQPXSA-N 2 0 279.428 1.034 20 30 CDEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001182637507 917997614 /nfs/dbraw/zinc/99/76/14/917997614.db2.gz HMLIQFTZLUSWTQ-HLLBOEOZSA-N 2 0 295.471 1.977 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CC1(C)C ZINC000996301155 918242403 /nfs/dbraw/zinc/24/24/03/918242403.db2.gz QWJQKABNTKZPID-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC001183044209 918269327 /nfs/dbraw/zinc/26/93/27/918269327.db2.gz DOVSFRZBFHWCPH-UHFFFAOYSA-N 2 0 279.428 1.581 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001183044543 918270434 /nfs/dbraw/zinc/27/04/34/918270434.db2.gz JUGUQTBYBIMCGR-CABCVRRESA-N 2 0 277.412 1.191 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)NC1CC[NH+](CCC)CC1 ZINC001183080337 918277300 /nfs/dbraw/zinc/27/73/00/918277300.db2.gz PVYHDSICFMNVDN-UHFFFAOYSA-N 2 0 279.428 1.629 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C(=C)C[NH+]1CCCC1 ZINC001183085693 918278940 /nfs/dbraw/zinc/27/89/40/918278940.db2.gz DTUOZPWNUQLUKO-HNNXBMFYSA-N 2 0 277.412 1.405 20 30 CDEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183165088 918353209 /nfs/dbraw/zinc/35/32/09/918353209.db2.gz MLGGIPLOCIGUHS-HLLBOEOZSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000996711657 918380889 /nfs/dbraw/zinc/38/08/89/918380889.db2.gz KEOJMVYTWZZPEN-HOTGVXAUSA-N 2 0 291.439 1.770 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183268326 918420384 /nfs/dbraw/zinc/42/03/84/918420384.db2.gz UDTPQUOPGZXXBY-ZIAGYGMSSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001183581858 918552821 /nfs/dbraw/zinc/55/28/21/918552821.db2.gz MYXPLZQOGUMRLI-RBSFLKMASA-N 2 0 281.444 1.872 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001184309654 919017485 /nfs/dbraw/zinc/01/74/85/919017485.db2.gz JLKIERIPHWTTHN-CQSZACIVSA-N 2 0 284.363 1.715 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185085899 919395715 /nfs/dbraw/zinc/39/57/15/919395715.db2.gz NQPQQSXAHSVOBF-GJZGRUSLSA-N 2 0 281.444 1.588 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001185199760 919473481 /nfs/dbraw/zinc/47/34/81/919473481.db2.gz OXVGEVRGHLWSJY-CQSZACIVSA-N 2 0 289.379 1.169 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001185715985 919729118 /nfs/dbraw/zinc/72/91/18/919729118.db2.gz MYXPLZQOGUMRLI-KFWWJZLASA-N 2 0 281.444 1.872 20 30 CDEDRP C=CCCCNC(=S)N(CC[NH+](C)C)CC[NH+](C)C ZINC001247741877 948736109 /nfs/dbraw/zinc/73/61/09/948736109.db2.gz QHBDXIJVNJBEKP-UHFFFAOYSA-N 2 0 286.489 1.252 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001033163041 921958795 /nfs/dbraw/zinc/95/87/95/921958795.db2.gz YEJPBBIVJZMKRY-CVEARBPZSA-N 2 0 291.439 1.273 20 30 CDEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001190493563 922045337 /nfs/dbraw/zinc/04/53/37/922045337.db2.gz ZUGDCJHRGPROKJ-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001190675657 922133679 /nfs/dbraw/zinc/13/36/79/922133679.db2.gz TWIRZQURIWOMAD-HNNXBMFYSA-N 2 0 277.412 1.027 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033319703 922153671 /nfs/dbraw/zinc/15/36/71/922153671.db2.gz RMKDQRVAUWLOBP-CQSZACIVSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001033683765 922314320 /nfs/dbraw/zinc/31/43/20/922314320.db2.gz BMMYYYUQTANMHL-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCN2C)C1 ZINC001098760710 936760716 /nfs/dbraw/zinc/76/07/16/936760716.db2.gz HSFRMEMBMDRJBN-ZOBUZTSGSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[N@@H+]1CCCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034290869 922581213 /nfs/dbraw/zinc/58/12/13/922581213.db2.gz NBABCSSECPTFQZ-HNNXBMFYSA-N 2 0 291.439 1.772 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001100887756 936942789 /nfs/dbraw/zinc/94/27/89/936942789.db2.gz QIQODYHHOKDFCF-UHFFFAOYSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001084454913 925256353 /nfs/dbraw/zinc/25/63/53/925256353.db2.gz BSZKEBQAEKSKSM-BZUAXINKSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084662885 925341666 /nfs/dbraw/zinc/34/16/66/925341666.db2.gz BOEOARAHLRXGFN-BZUAXINKSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084905695 925488605 /nfs/dbraw/zinc/48/86/05/925488605.db2.gz JBJLYUKDAWAEPG-OAGGEKHMSA-N 2 0 291.439 1.580 20 30 CDEDRP C#CCC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CCC)[C@H](C)C1 ZINC001102524762 937063177 /nfs/dbraw/zinc/06/31/77/937063177.db2.gz UXVNNHJQBNXUIK-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001085629565 926228572 /nfs/dbraw/zinc/22/85/72/926228572.db2.gz XHXVNTHZYIBLJI-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CCCO1 ZINC001201678814 926367741 /nfs/dbraw/zinc/36/77/41/926367741.db2.gz POACEZBOAKNQLC-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799308 926410491 /nfs/dbraw/zinc/41/04/91/926410491.db2.gz OMRIDSPDJYMSMR-HNNXBMFYSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCCO1 ZINC001201908991 926429214 /nfs/dbraw/zinc/42/92/14/926429214.db2.gz SXMJHYTZKINFGO-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C#CCN1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085901762 926489048 /nfs/dbraw/zinc/48/90/48/926489048.db2.gz MDPPRQAFWHONQG-MRXNPFEDSA-N 2 0 291.439 1.273 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001103443592 937142158 /nfs/dbraw/zinc/14/21/58/937142158.db2.gz BLAIDUWXCXKMEB-OAGGEKHMSA-N 2 0 295.471 1.977 20 30 CDEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]cn1)C2 ZINC001110644609 927743839 /nfs/dbraw/zinc/74/38/39/927743839.db2.gz STKRJQDDRDZVFU-KFWWJZLASA-N 2 0 286.379 1.087 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169808062 928447750 /nfs/dbraw/zinc/44/77/50/928447750.db2.gz BAHCRZXHFPVFFF-GJZGRUSLSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)C[C@@H](C)[NH3+])C(C)C ZINC000861556125 929306893 /nfs/dbraw/zinc/30/68/93/929306893.db2.gz CUSACJPEJRWPRQ-HUUCEWRRSA-N 2 0 296.459 1.674 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152464468 937364838 /nfs/dbraw/zinc/36/48/38/937364838.db2.gz ORCUSEOQCKDRGC-OAHLLOKOSA-N 2 0 281.444 1.779 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135314925 930150706 /nfs/dbraw/zinc/15/07/06/930150706.db2.gz IYKDKRFSGRXRSQ-UONOGXRCSA-N 2 0 269.433 1.777 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135934552 930548613 /nfs/dbraw/zinc/54/86/13/930548613.db2.gz KMBQRJFMVCBDES-OLZOCXBDSA-N 2 0 290.411 1.820 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135977246 930587166 /nfs/dbraw/zinc/58/71/66/930587166.db2.gz QSOUMCSUJIZTPU-CABCVRRESA-N 2 0 281.444 1.615 20 30 CDEDRP C=CCc1c(Cl)ncnc1N[C@H]([NH3+])CCC[NH3+] ZINC001170894581 930706554 /nfs/dbraw/zinc/70/65/54/930706554.db2.gz LHBVHMYGEHWHLT-VIFPVBQESA-N 2 0 255.753 1.294 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153891351 937481281 /nfs/dbraw/zinc/48/12/81/937481281.db2.gz ZBAJCLUGMMAPFN-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP CCCCNC(=[NH2+])NCCN1CCc2ccccc2C1 ZINC000104167206 931322787 /nfs/dbraw/zinc/32/27/87/931322787.db2.gz GLGRJPRJRMWGNF-UHFFFAOYSA-N 2 0 274.412 1.749 20 30 CDEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)c1ccccc1F ZINC000717762903 931506639 /nfs/dbraw/zinc/50/66/39/931506639.db2.gz WIFHMVUMSLLXII-CQSZACIVSA-N 2 0 250.317 1.014 20 30 CDEDRP C=CC[C@H](C)C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+] ZINC001144029358 931632383 /nfs/dbraw/zinc/63/23/83/931632383.db2.gz UYZQYNYSUAUZHM-NSHDSACASA-N 2 0 254.378 1.262 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001091058580 931773382 /nfs/dbraw/zinc/77/33/82/931773382.db2.gz RXUUHVODYMMSBQ-UYSNPLJNSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171176360 931807529 /nfs/dbraw/zinc/80/75/29/931807529.db2.gz YKXIGFYEUYJXGU-GJZGRUSLSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001091267464 932069358 /nfs/dbraw/zinc/06/93/58/932069358.db2.gz MGAGIIACOPBOAV-GPANFISMSA-N 2 0 293.455 1.920 20 30 CDEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171249002 932119755 /nfs/dbraw/zinc/11/97/55/932119755.db2.gz ZVKOXUJELGDTFX-ZBFHGGJFSA-N 2 0 293.455 1.615 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC)CC1 ZINC001146609687 932271495 /nfs/dbraw/zinc/27/14/95/932271495.db2.gz GAYSRCIDXLBCFM-GJZGRUSLSA-N 2 0 293.455 1.615 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146613399 932272153 /nfs/dbraw/zinc/27/21/53/932272153.db2.gz SWVDYFZTQLRTSM-CVEARBPZSA-N 2 0 293.455 1.759 20 30 CDEDRP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001146719956 932290845 /nfs/dbraw/zinc/29/08/45/932290845.db2.gz YDSWNBUASDRBHW-UHFFFAOYSA-N 2 0 288.395 1.106 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154904218 937602189 /nfs/dbraw/zinc/60/21/89/937602189.db2.gz PVJXQROWTXZNDC-CQSZACIVSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001147466361 932510298 /nfs/dbraw/zinc/51/02/98/932510298.db2.gz JWGJTYQZRBSPHG-MRXNPFEDSA-N 2 0 289.423 1.961 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147885889 932620433 /nfs/dbraw/zinc/62/04/33/932620433.db2.gz QHKCKSVKAZUFSI-CYBMUJFWSA-N 2 0 253.390 1.000 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001148652138 932760550 /nfs/dbraw/zinc/76/05/50/932760550.db2.gz WQBNFXTUZLCFQW-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001148638805 932769614 /nfs/dbraw/zinc/76/96/14/932769614.db2.gz SLGHQFFMLSMRIA-UHFFFAOYSA-N 2 0 294.424 1.167 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000932143997 933673299 /nfs/dbraw/zinc/67/32/99/933673299.db2.gz KKZXMKHBVBYSIH-UHFFFAOYSA-N 2 0 281.444 1.921 20 30 CDEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111171382 934212722 /nfs/dbraw/zinc/21/27/22/934212722.db2.gz AWLGPHMRMWHRSA-KFWWJZLASA-N 2 0 277.412 1.073 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N(C)CCC1CCOCC1 ZINC000158857125 934303757 /nfs/dbraw/zinc/30/37/57/934303757.db2.gz FGSPBJANCYFXDY-HNNXBMFYSA-N 2 0 296.459 1.262 20 30 CDEDRP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120130399 937782456 /nfs/dbraw/zinc/78/24/56/937782456.db2.gz ZBWWDKGGXIUUJI-OAHLLOKOSA-N 2 0 293.455 1.923 20 30 CDEDRP CCOCCC[N@@H+]1CCC(=NNC2=[NH+][C@@H](C)CN2)[C@H](C)C1 ZINC000779794184 934708330 /nfs/dbraw/zinc/70/83/30/934708330.db2.gz DIPFITNZKXXUGE-OLZOCXBDSA-N 2 0 295.431 1.048 20 30 CDEDRP C#CC[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000092492179 934893253 /nfs/dbraw/zinc/89/32/53/934893253.db2.gz AMGGBIQEOSAVLQ-INIZCTEOSA-N 2 0 287.407 1.409 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCOC(C)C ZINC000305807846 935218248 /nfs/dbraw/zinc/21/82/48/935218248.db2.gz HHIWABGCVVWZPY-CQSZACIVSA-N 2 0 284.448 1.580 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001009637750 935428757 /nfs/dbraw/zinc/42/87/57/935428757.db2.gz QWWGTPIJXOTCRB-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001020347893 935735239 /nfs/dbraw/zinc/73/52/39/935735239.db2.gz DGVZHJAUTUGQEO-JOCQHMNTSA-N 2 0 297.830 1.604 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCCC)CC1 ZINC001039042547 935767483 /nfs/dbraw/zinc/76/74/83/935767483.db2.gz SRGWBXOKWBLERU-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001041141720 935794543 /nfs/dbraw/zinc/79/45/43/935794543.db2.gz PSEZPTSGDWWAKZ-ZBFHGGJFSA-N 2 0 277.412 1.191 20 30 CDEDRP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041832164 935804920 /nfs/dbraw/zinc/80/49/20/935804920.db2.gz UODOARIEJXJHSN-NVXWUHKLSA-N 2 0 291.439 1.439 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059882 936105689 /nfs/dbraw/zinc/10/56/89/936105689.db2.gz JGQQFPVONXUWLE-LVQVYYBASA-N 2 0 291.439 1.150 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049059268 936106264 /nfs/dbraw/zinc/10/62/64/936106264.db2.gz PCPQXJFAFCVXBA-OAGGEKHMSA-N 2 0 291.439 1.295 20 30 CDEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001121302259 937866717 /nfs/dbraw/zinc/86/67/17/937866717.db2.gz UZXJAYONAUAJEF-UKEPKTAJSA-N 2 0 291.439 1.367 20 30 CDEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)CC)C2)C1 ZINC001122022239 937899664 /nfs/dbraw/zinc/89/96/64/937899664.db2.gz GORRPMZCCZYDLJ-UHFFFAOYSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1CCCC[NH+]1C ZINC001156672386 938404589 /nfs/dbraw/zinc/40/45/89/938404589.db2.gz MMNUVKGKQBCCLZ-AWEZNQCLSA-N 2 0 267.417 1.437 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001157969094 938570464 /nfs/dbraw/zinc/57/04/64/938570464.db2.gz LIEVYOBPVXCBLH-WBVHZDCISA-N 2 0 285.391 1.468 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)c1sccc1C[NH+](C)C ZINC001159155070 938706376 /nfs/dbraw/zinc/70/63/76/938706376.db2.gz HZOLQDOWQKCFBL-UHFFFAOYSA-N 2 0 279.409 1.152 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160272800 938778545 /nfs/dbraw/zinc/77/85/45/938778545.db2.gz DQEDEAMTLDHWBJ-CQSZACIVSA-N 2 0 267.417 1.533 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H]1CNc1ncnc2c1CC[NH2+]CC2 ZINC001160951314 938849097 /nfs/dbraw/zinc/84/90/97/938849097.db2.gz FFZCBZNTKBZGHT-ZDUSSCGKSA-N 2 0 287.411 1.227 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001161408589 938901273 /nfs/dbraw/zinc/90/12/73/938901273.db2.gz ZQAAZVHZSMXSEN-UHFFFAOYSA-N 2 0 276.384 1.190 20 30 CDEDRP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161869622 938937644 /nfs/dbraw/zinc/93/76/44/938937644.db2.gz HOURVDNGQNFCHC-MRXNPFEDSA-N 2 0 291.439 1.653 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(Cl)cc(C#N)n1 ZINC001163127014 939206633 /nfs/dbraw/zinc/20/66/33/939206633.db2.gz WYRDWRJFYJDMDW-UHFFFAOYSA-N 2 0 294.790 1.885 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001166692823 939627720 /nfs/dbraw/zinc/62/77/20/939627720.db2.gz QFTZESKTFRULLW-KBPBESRZSA-N 2 0 267.417 1.246 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001166858400 939645099 /nfs/dbraw/zinc/64/50/99/939645099.db2.gz SUOMMHZCHOFKTB-ZDUSSCGKSA-N 2 0 255.406 1.389 20 30 CDEDRP C[C@H]1CC[N@H+](Cc2cc(C#N)ccn2)CC[C@@H]1C[NH3+] ZINC001205639232 939911371 /nfs/dbraw/zinc/91/13/71/939911371.db2.gz XTVDMXVEOPLQEO-GXTWGEPZSA-N 2 0 258.369 1.760 20 30 CDEDRP C=CCN(CC[N@@H+]1CCCC[C@@H](C[NH3+])C1)C(=O)OCC ZINC001206606820 940071070 /nfs/dbraw/zinc/07/10/70/940071070.db2.gz TXOLPXWQHHCXAI-AWEZNQCLSA-N 2 0 283.416 1.692 20 30 CDEDRP COC(=O)C1(C#N)CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207489265 940208094 /nfs/dbraw/zinc/20/80/94/940208094.db2.gz XLDVORPXEOOLFY-UHFFFAOYSA-N 2 0 293.411 1.497 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207684429 940230782 /nfs/dbraw/zinc/23/07/82/940230782.db2.gz NZKJVYMLUNEGDZ-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CC2(C)COC2)CC1 ZINC001207800858 940248190 /nfs/dbraw/zinc/24/81/90/940248190.db2.gz YRKQJWWCZYMPQS-UHFFFAOYSA-N 2 0 293.455 1.315 20 30 CDEDRP C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000402353874 940895256 /nfs/dbraw/zinc/89/52/56/940895256.db2.gz SVGNZZSBIXAHEI-WQVCFCJDSA-N 2 0 273.380 1.508 20 30 CDEDRP N#C[C@@H]1C[NH2+]C[C@H]1OCCCCC1CC[NH2+]CC1 ZINC001217832621 941022542 /nfs/dbraw/zinc/02/25/42/941022542.db2.gz PORBSWKTCXRWDQ-ZIAGYGMSSA-N 2 0 251.374 1.284 20 30 CDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@@H]1C[C@H]2C[NH2+]C[C@H]2O1 ZINC001217933747 941030287 /nfs/dbraw/zinc/03/02/87/941030287.db2.gz NQGCZKFIVZTWPU-VQJWOFKYSA-N 2 0 266.385 1.077 20 30 CDEDRP C=C1CC[NH2+]C[C@@H]1Oc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001218210766 941043894 /nfs/dbraw/zinc/04/38/94/941043894.db2.gz IYLOAEXPDIWCDX-KRWDZBQOSA-N 2 0 287.407 1.389 20 30 CDEDRP C=C1CC[NH2+]C[C@@H]1Oc1cccc([C@H]([NH3+])CC(=O)OC)c1 ZINC001218209012 941044107 /nfs/dbraw/zinc/04/41/07/941044107.db2.gz SUBCTMABPMVYIS-CABCVRRESA-N 2 0 290.363 1.546 20 30 CDEDRP N#CCc1cccc(NC(=O)c2ccc([C@H](N)C[NH3+])cc2)c1 ZINC001218987067 941296919 /nfs/dbraw/zinc/29/69/19/941296919.db2.gz BPQIFEDATNWPMF-MRXNPFEDSA-N 2 0 294.358 1.963 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219349707 941334254 /nfs/dbraw/zinc/33/42/54/941334254.db2.gz VJQRICQQSFMBJK-UHFFFAOYSA-N 2 0 259.353 1.736 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)N[C@@H]2C[NH2+]Cc3ccsc32)C1 ZINC001219825977 941390292 /nfs/dbraw/zinc/39/02/92/941390292.db2.gz OIXCJXGCODNYIU-RISCZKNCSA-N 2 0 277.393 1.317 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001224245983 941732512 /nfs/dbraw/zinc/73/25/12/941732512.db2.gz OUWBAYRPQYANBI-CVEARBPZSA-N 2 0 291.439 1.273 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001227618659 942198564 /nfs/dbraw/zinc/19/85/64/942198564.db2.gz HMHUQTAKZKMRLM-OAHLLOKOSA-N 2 0 297.418 1.270 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228239014 942283388 /nfs/dbraw/zinc/28/33/88/942283388.db2.gz NBIWMPIXOHODAK-HUUCEWRRSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228376882 942306456 /nfs/dbraw/zinc/30/64/56/942306456.db2.gz GJZVMKTVBZWRNF-HUUCEWRRSA-N 2 0 297.443 1.158 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001228602291 942340804 /nfs/dbraw/zinc/34/08/04/942340804.db2.gz HFTWEPAYPPDUOP-BZUAXINKSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001229193040 942431400 /nfs/dbraw/zinc/43/14/00/942431400.db2.gz CCFLNHOGKOHYFU-HOCLYGCPSA-N 2 0 293.455 1.731 20 30 CDEDRP N#CCC1CCC([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CC1 ZINC001246088576 947939642 /nfs/dbraw/zinc/93/96/42/947939642.db2.gz LNVUDYKPRPQDRP-CLRIEMFWSA-N 2 0 269.364 1.111 20 30 CDEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+]C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246303111 948096088 /nfs/dbraw/zinc/09/60/88/948096088.db2.gz GYBHYMNWUYPDSZ-NFAWXSAZSA-N 2 0 297.443 1.332 20 30 CDEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+]C1CC[NH2+]CC1 ZINC001246525798 948227983 /nfs/dbraw/zinc/22/79/83/948227983.db2.gz OBLPJWSPPAFOAN-UHFFFAOYSA-N 3 0 260.385 1.405 20 30 CDEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H]1CCC[NH2+]C1 ZINC001246527190 948229113 /nfs/dbraw/zinc/22/91/13/948229113.db2.gz RWMRBXAMDNVMFM-OAHLLOKOSA-N 3 0 260.385 1.405 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001252492039 951362514 /nfs/dbraw/zinc/36/25/14/951362514.db2.gz VKQKBTAAWGVJHC-GPANFISMSA-N 2 0 284.444 1.793 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001252603165 951498934 /nfs/dbraw/zinc/49/89/34/951498934.db2.gz NGIWPCXDCYITQO-MRXNPFEDSA-N 2 0 281.444 1.027 20 30 CDEDRP C=C[C@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001253578286 951965304 /nfs/dbraw/zinc/96/53/04/951965304.db2.gz YHPOANSNZKTJRL-IXDOHACOSA-N 2 0 294.439 1.214 20 30 CDEDRP C=C[C@H](O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001253585395 951973052 /nfs/dbraw/zinc/97/30/52/951973052.db2.gz XCWNVNYNNAXWHV-SJORKVTESA-N 2 0 274.408 1.987 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001365828351 956391372 /nfs/dbraw/zinc/39/13/72/956391372.db2.gz ZGORYXSSQRMSDV-XQQFMLRXSA-N 2 0 287.835 1.564 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001423107342 956590871 /nfs/dbraw/zinc/59/08/71/956590871.db2.gz LUQMHUYKIOXVOX-LBPRGKRZSA-N 2 0 275.824 1.517 20 30 CDEDRP C=C(Cl)CN(CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001366613607 957037028 /nfs/dbraw/zinc/03/70/28/957037028.db2.gz LEGFRTHJXLNVHX-ZDUSSCGKSA-N 2 0 287.835 1.661 20 30 CDEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC001336785340 960588209 /nfs/dbraw/zinc/58/82/09/960588209.db2.gz YRYAXRDKYVGHNY-AWEZNQCLSA-N 2 0 284.762 1.667 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)CCSCCC[NH3+])CC1 ZINC001340076636 962726030 /nfs/dbraw/zinc/72/60/30/962726030.db2.gz ISSYXEQPJKLGGH-UHFFFAOYSA-N 2 0 285.457 1.225 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC001340267754 962852360 /nfs/dbraw/zinc/85/23/60/962852360.db2.gz WSROAIGWYIJWAI-XUXIUFHCSA-N 2 0 265.401 1.256 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001341605550 963480474 /nfs/dbraw/zinc/48/04/74/963480474.db2.gz OKYCZNRSDHEONV-LSDHHAIUSA-N 2 0 279.428 1.757 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC001342052124 963621551 /nfs/dbraw/zinc/62/15/51/963621551.db2.gz JENMRYYCMWANEV-JHJVBQTASA-N 2 0 255.406 1.670 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1F ZINC001342060173 963623275 /nfs/dbraw/zinc/62/32/75/963623275.db2.gz KDMQJWGMBIYNIC-CQSZACIVSA-N 2 0 279.359 1.584 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001100407660 968264568 /nfs/dbraw/zinc/26/45/68/968264568.db2.gz DYBJCTJKWTWKQC-UBHUBRDASA-N 2 0 299.846 1.564 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001389864223 976023989 /nfs/dbraw/zinc/02/39/89/976023989.db2.gz COZPHAITKSWKAY-IJLUTSLNSA-N 2 0 273.808 1.316 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001402593460 976383433 /nfs/dbraw/zinc/38/34/33/976383433.db2.gz RZHREIUPXPPIIZ-LBPRGKRZSA-N 2 0 285.819 1.319 20 30 CDEDRP C#CC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132433894 1163288251 /nfs/dbraw/zinc/28/82/51/1163288251.db2.gz RNLAOBDIJLCXBE-LSDHHAIUSA-N 2 0 279.428 1.321 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](CC)CCC ZINC000811970230 1163568942 /nfs/dbraw/zinc/56/89/42/1163568942.db2.gz VZORQPUYYZLIKC-GJZGRUSLSA-N 2 0 279.428 1.321 20 30 CDEDRP CC(C)(C#N)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC001575080624 1171106755 /nfs/dbraw/zinc/10/67/55/1171106755.db2.gz DJFRCMYZPGTHBP-CQSZACIVSA-N 2 0 294.443 1.636 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635530457 361766343 /nfs/dbraw/zinc/76/63/43/361766343.db2.gz CCDYEGLTITZQCX-UHFFFAOYSA-N 2 0 281.444 1.731 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC(N[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000591577144 342637773 /nfs/dbraw/zinc/63/77/73/342637773.db2.gz NRMUIVKQRALHOV-KRWDZBQOSA-N 2 0 284.407 1.474 20 30 CDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)C3([NH3+])CC3)CC2)c1 ZINC000593919580 342851427 /nfs/dbraw/zinc/85/14/27/342851427.db2.gz ZDRBSTALXISAPA-UHFFFAOYSA-N 2 0 298.390 1.130 20 30 CDEDRP N#C[C@H]1CCC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000333761571 539055348 /nfs/dbraw/zinc/05/53/48/539055348.db2.gz AMZSNTRBPRNYHA-SOEBMCCKSA-N 2 0 290.455 1.875 20 30 CDEDRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442775400 362089359 /nfs/dbraw/zinc/08/93/59/362089359.db2.gz FUJSCYJPXZIAFQ-HOTGVXAUSA-N 2 0 278.444 1.542 20 30 CDEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](C)CCC#N)CC1 ZINC000602539505 344472717 /nfs/dbraw/zinc/47/27/17/344472717.db2.gz HLTMWBXQUNRWKH-CVEARBPZSA-N 2 0 280.460 1.789 20 30 CDEDRP C[C@@H](CN(C)C)[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602656445 344518306 /nfs/dbraw/zinc/51/83/06/344518306.db2.gz UIFRAVGHHBJFBS-STQMWFEESA-N 2 0 253.390 1.625 20 30 CDEDRP C=C[C@@H](C(=O)OC)N(C)CCCC[NH+]1CCCCC1 ZINC000603114449 344712253 /nfs/dbraw/zinc/71/22/53/344712253.db2.gz AMDABRKDHMMXKP-AWEZNQCLSA-N 2 0 268.401 1.912 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000068102895 349050154 /nfs/dbraw/zinc/05/01/54/349050154.db2.gz ICHPKPRLFNDHKD-HNNXBMFYSA-N 2 0 291.439 1.180 20 30 CDEDRP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)N1CC[NH+](C)CC1 ZINC000105466253 186059469 /nfs/dbraw/zinc/05/94/69/186059469.db2.gz WJORLSUBXBVAHK-AWEZNQCLSA-N 2 0 272.396 1.284 20 30 CDEDRP C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910150 350326269 /nfs/dbraw/zinc/32/62/69/350326269.db2.gz KVQCVEODEHSZTC-BNOWGMLFSA-N 2 0 284.363 1.036 20 30 CDEDRP C[NH+](C)CCOc1ccccc1CNC(=[NH2+])NC(C)(C)C ZINC000264070942 362958437 /nfs/dbraw/zinc/95/84/37/362958437.db2.gz DCVFTPQESWQBJP-UHFFFAOYSA-N 2 0 292.427 1.830 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000580309340 365985870 /nfs/dbraw/zinc/98/58/70/365985870.db2.gz RGTKBQJGRFMNHR-NEPJUHHUSA-N 2 0 268.405 1.062 20 30 CDEDRP CCN(CC)C(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1 ZINC000264134659 362975783 /nfs/dbraw/zinc/97/57/83/362975783.db2.gz UXLXQRHOAWPZAD-UHFFFAOYSA-N 2 0 292.427 1.784 20 30 CDEDRP C=CCOc1cccc(C[N@H+](C)CCOCC[NH3+])c1 ZINC000629663269 363318982 /nfs/dbraw/zinc/31/89/82/363318982.db2.gz LNGDMJHQUYZWGK-UHFFFAOYSA-N 2 0 264.369 1.659 20 30 CDEDRP C=CCOCCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000348029566 359778768 /nfs/dbraw/zinc/77/87/68/359778768.db2.gz FWCVWWVHWTWKPR-BZUAXINKSA-N 2 0 282.428 1.763 20 30 CDEDRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000248831079 377331057 /nfs/dbraw/zinc/33/10/57/377331057.db2.gz MMEFEGZBEXABCN-HOTGVXAUSA-N 2 0 278.444 1.686 20 30 CDEDRP C=C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000289730948 378347710 /nfs/dbraw/zinc/34/77/10/378347710.db2.gz GFYWMSWBPPTBBX-FVQBIDKESA-N 2 0 260.381 1.786 20 30 CDEDRP C=CCN1CC[C@H]([N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C1=O ZINC000647977627 391374773 /nfs/dbraw/zinc/37/47/73/391374773.db2.gz FITPHFJOZJNAMJ-PMPSAXMXSA-N 2 0 291.439 1.485 20 30 CDEDRP C[NH+]=C(NCc1cccn1C)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000262754008 391818505 /nfs/dbraw/zinc/81/85/05/391818505.db2.gz AMFYEYIFRAEIQC-CHWSQXEVSA-N 2 0 289.427 1.315 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC(NC[C@H]([NH3+])C3CC3)CC2)cc1 ZINC000423328917 392962494 /nfs/dbraw/zinc/96/24/94/392962494.db2.gz SRVJKCZSZSVAPH-SFHVURJKSA-N 2 0 298.434 1.850 20 30 CDEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001041632763 782001045 /nfs/dbraw/zinc/00/10/45/782001045.db2.gz NIXNYDABTUSIIF-QGZVFWFLSA-N 2 0 291.439 1.439 20 30 CDEDRP N#Cc1ccc(NCC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])nc1 ZINC000925892972 782030475 /nfs/dbraw/zinc/03/04/75/782030475.db2.gz ITXQETHWJZNDOF-ZIAGYGMSSA-N 2 0 273.384 1.472 20 30 CDEDRP C[NH+]=C(NCC[NH+]1CCCCCC1)N(C)Cc1ccon1 ZINC000261725195 262755585 /nfs/dbraw/zinc/75/55/85/262755585.db2.gz IULLTTUOMYTELA-UHFFFAOYSA-N 2 0 293.415 1.558 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[NH2+][C@H]2CC)CC1 ZINC000353441870 263056248 /nfs/dbraw/zinc/05/62/48/263056248.db2.gz FNJAXZIOOAHPFC-KBPBESRZSA-N 2 0 265.401 1.141 20 30 CDEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(C#N)cs1 ZINC000185870588 270259051 /nfs/dbraw/zinc/25/90/51/270259051.db2.gz JONRZOVQWWYJBC-ZDUSSCGKSA-N 2 0 292.452 1.735 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033661059 782065408 /nfs/dbraw/zinc/06/54/08/782065408.db2.gz KLQBCGZRKQCMBH-KGLIPLIRSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CCCC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000377728207 329027252 /nfs/dbraw/zinc/02/72/52/329027252.db2.gz WRWIMLIZTQGOKA-OAHLLOKOSA-N 2 0 251.418 1.664 20 30 CDEDRP C=CCC[C@@H](CO)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000562523528 327487408 /nfs/dbraw/zinc/48/74/08/327487408.db2.gz IJZPOXNBFRZSNF-HNNXBMFYSA-N 2 0 252.402 1.778 20 30 CDEDRP C=CCN1CC[C@@H]([NH+]2CCC(C[NH2+]CC)CC2)C1=O ZINC000420293724 329760250 /nfs/dbraw/zinc/76/02/50/329760250.db2.gz RROJQARYEAYLIG-CQSZACIVSA-N 2 0 265.401 1.095 20 30 CDEDRP C[C@H]1CCC[C@@](C[NH+]=C(N(C)C)N(C)C)([NH+](C)C)C1 ZINC000261998734 329996171 /nfs/dbraw/zinc/99/61/71/329996171.db2.gz OPKGKHZTEDNXGS-DZGCQCFKSA-N 2 0 268.449 1.976 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCCC1 ZINC000262169962 330001296 /nfs/dbraw/zinc/00/12/96/330001296.db2.gz UXOPQNHNSHYAOU-LBPRGKRZSA-N 2 0 250.390 1.142 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCC1([NH+]2CCCC2)CCOCC1 ZINC000262503181 330018196 /nfs/dbraw/zinc/01/81/96/330018196.db2.gz AMXBWMLQHWCOPL-UHFFFAOYSA-N 2 0 280.416 1.112 20 30 CDEDRP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423098864 330170150 /nfs/dbraw/zinc/17/01/50/330170150.db2.gz SSNMSCQECJIJTO-MQAAVTGUSA-N 2 0 250.386 1.840 20 30 CDEDRP C[NH+](C)Cc1cccc(NC(=O)[C@H]([NH3+])CCCC#N)c1 ZINC000424133887 330266238 /nfs/dbraw/zinc/26/62/38/330266238.db2.gz MWRKPMZQTFSVFU-CQSZACIVSA-N 2 0 274.368 1.708 20 30 CDEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424137729 330274851 /nfs/dbraw/zinc/27/48/51/330274851.db2.gz SLFAGGZTKKLQCU-QLFBSQMISA-N 2 0 294.443 1.492 20 30 CDEDRP C#CCN(C)CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000328127064 330322657 /nfs/dbraw/zinc/32/26/57/330322657.db2.gz UROSGSGKOUYDKR-QLFBSQMISA-N 2 0 251.418 1.260 20 30 CDEDRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424191263 330323547 /nfs/dbraw/zinc/32/35/47/330323547.db2.gz HCEDZXGDKHBGCJ-KBPBESRZSA-N 2 0 292.427 1.244 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000491795746 332354938 /nfs/dbraw/zinc/35/49/38/332354938.db2.gz WVKHCFMIDPKDDT-HUUCEWRRSA-N 2 0 294.443 1.114 20 30 CDEDRP C[NH+]1CCN(c2cc[nH+]cc2N[C@H]2CC[C@H](C#N)C2)CC1 ZINC000565695827 334588200 /nfs/dbraw/zinc/58/82/00/334588200.db2.gz NEMRQMWWVATBNC-KBPBESRZSA-N 2 0 285.395 1.938 20 30 CDEDRP C=CCC[C@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001755432787 1160162834 /nfs/dbraw/zinc/16/28/34/1160162834.db2.gz YUINTWMZXUQUEW-YHUYYLMFSA-N 2 0 293.455 1.587 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001755582780 1160227064 /nfs/dbraw/zinc/22/70/64/1160227064.db2.gz SGWDGSGXVBJXPR-STQMWFEESA-N 2 0 253.390 1.093 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001752787069 1160260850 /nfs/dbraw/zinc/26/08/50/1160260850.db2.gz FWDIEBPRBNGCQY-CVEARBPZSA-N 2 0 291.439 1.180 20 30 CDEDRP CCC#C[C@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000677215255 482586295 /nfs/dbraw/zinc/58/62/95/482586295.db2.gz BRBAXHZKABVKHL-HNNXBMFYSA-N 2 0 253.434 1.604 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417519786 482593448 /nfs/dbraw/zinc/59/34/48/482593448.db2.gz AXZKPLYFSSBZIO-TZMCWYRMSA-N 2 0 280.416 1.206 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000989078934 782145210 /nfs/dbraw/zinc/14/52/10/782145210.db2.gz VSFNBDPHZLYVTO-OCCSQVGLSA-N 2 0 296.374 1.469 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001113300173 1162151086 /nfs/dbraw/zinc/15/10/86/1162151086.db2.gz JYMABWYBFSUTJS-UHFFFAOYSA-N 2 0 253.390 1.049 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](CC)C[NH+]2CCCC2)CC1 ZINC000735923734 575535598 /nfs/dbraw/zinc/53/55/98/575535598.db2.gz JBWLGHDSENCCSH-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C[N@@H+]1CCCC(=NNCC[NH+]2CCCCC2)CC1 ZINC000758108920 577072241 /nfs/dbraw/zinc/07/22/41/577072241.db2.gz XPCKGQWHEDSSJT-UHFFFAOYSA-N 2 0 252.406 1.534 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000970795884 612966370 /nfs/dbraw/zinc/96/63/70/612966370.db2.gz IBXHZPKUJOLPQB-OAHLLOKOSA-N 2 0 285.391 1.186 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC000971711884 613080326 /nfs/dbraw/zinc/08/03/26/613080326.db2.gz FSPAIMXYMXTLPB-HUUCEWRRSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980485474 613083662 /nfs/dbraw/zinc/08/36/62/613083662.db2.gz KSZDYUVQSOZGDO-CVEARBPZSA-N 2 0 291.439 1.273 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972484950 613091800 /nfs/dbraw/zinc/09/18/00/613091800.db2.gz HQIZTDOBRAHUDU-HOTGVXAUSA-N 2 0 291.439 1.415 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947502405 613272223 /nfs/dbraw/zinc/27/22/23/613272223.db2.gz NZZDNXDGBOYCKE-ZFWWWQNUSA-N 2 0 296.374 1.550 20 30 CDEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000971526277 613285334 /nfs/dbraw/zinc/28/53/34/613285334.db2.gz WLKQBXFRUNKSNT-HZPDHXFCSA-N 2 0 293.455 1.968 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000972483431 613288532 /nfs/dbraw/zinc/28/85/32/613288532.db2.gz UBSOBMYEHQLVHK-INIZCTEOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000972731531 613288932 /nfs/dbraw/zinc/28/89/32/613288932.db2.gz GGVLEFOVNKLPIO-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968149200 613325508 /nfs/dbraw/zinc/32/55/08/613325508.db2.gz CQISJQQWZZRVDI-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975036492 613337797 /nfs/dbraw/zinc/33/77/97/613337797.db2.gz JAMGIPFCYJGDMJ-LSDHHAIUSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000969735995 613349848 /nfs/dbraw/zinc/34/98/48/613349848.db2.gz QUFAHCUPRXYSBA-CQSZACIVSA-N 2 0 291.395 1.721 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000969947249 613384513 /nfs/dbraw/zinc/38/45/13/613384513.db2.gz CDKTVRHBFSAUTN-QWHCGFSZSA-N 2 0 285.819 1.414 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000971831575 613621650 /nfs/dbraw/zinc/62/16/50/613621650.db2.gz CCVJLICKRGLKTK-OAHLLOKOSA-N 2 0 298.390 1.975 20 30 CDEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000969976095 613668671 /nfs/dbraw/zinc/66/86/71/613668671.db2.gz PUHJUWMEKOZVBY-JSGCOSHPSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982148499 613679499 /nfs/dbraw/zinc/67/94/99/613679499.db2.gz LBWVEXPTQTWHMH-CQSZACIVSA-N 2 0 277.412 1.049 20 30 CDEDRP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000969145109 613683901 /nfs/dbraw/zinc/68/39/01/613683901.db2.gz YEWYKSXMXOQJDY-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000968866381 613686084 /nfs/dbraw/zinc/68/60/84/613686084.db2.gz GZOUXGSVVAXZTF-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968188146 613771573 /nfs/dbraw/zinc/77/15/73/613771573.db2.gz BJZWQSSHQRKFIB-DZGCQCFKSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000947722817 613781791 /nfs/dbraw/zinc/78/17/91/613781791.db2.gz LXIIAXVKOMLQFR-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP N#Cc1ccc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000925714128 617821763 /nfs/dbraw/zinc/82/17/63/617821763.db2.gz OKGHZHFRANWGDI-DMRKSPOLSA-N 2 0 267.376 1.687 20 30 CDEDRP CCN1CC[NH+](CCCCNC(=[NH2+])NCCC(C)C)CC1 ZINC000104170003 617997828 /nfs/dbraw/zinc/99/78/28/617997828.db2.gz IDDKACPUHLYSLD-UHFFFAOYSA-N 2 0 297.491 1.355 20 30 CDEDRP C=C(C)[C@H]1OCC[C@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000894218592 618730179 /nfs/dbraw/zinc/73/01/79/618730179.db2.gz HGHGZUZQGIBTKH-LSDHHAIUSA-N 2 0 252.402 1.899 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000911629007 629374662 /nfs/dbraw/zinc/37/46/62/629374662.db2.gz RXAYRGIXCNYULU-CQSZACIVSA-N 2 0 269.433 1.933 20 30 CDEDRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001129436530 1162474530 /nfs/dbraw/zinc/47/45/30/1162474530.db2.gz QNRKVVKNSRIRDK-KRWDZBQOSA-N 2 0 299.418 1.084 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131370883 1162878349 /nfs/dbraw/zinc/87/83/49/1162878349.db2.gz XHRSIZIKWSRKIX-UHFFFAOYSA-N 2 0 258.325 1.230 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132273627 1163224661 /nfs/dbraw/zinc/22/46/61/1163224661.db2.gz HZGXDHNOXYMZKP-KGLIPLIRSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001133083090 1163563203 /nfs/dbraw/zinc/56/32/03/1163563203.db2.gz IGJZCMNHKRSSKI-GOEBONIOSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133819529 1163907691 /nfs/dbraw/zinc/90/76/91/1163907691.db2.gz FRXAHAYTMYVPCT-OAHLLOKOSA-N 2 0 281.444 1.923 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001170756847 1164095485 /nfs/dbraw/zinc/09/54/85/1164095485.db2.gz SEIMPAIMXWUYJQ-UHFFFAOYSA-N 2 0 291.439 1.228 20 30 CDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[NH+]1CCC(C)CC1 ZINC000876723313 1165901390 /nfs/dbraw/zinc/90/13/90/1165901390.db2.gz SQXYWKIEUCTWSD-GFCCVEGCSA-N 2 0 273.808 1.304 20 30 CDEDRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H](O)c1cccc(C#N)c1 ZINC001576481878 1171434022 /nfs/dbraw/zinc/43/40/22/1171434022.db2.gz GLZXNEJISVPVMF-CABCVRRESA-N 2 0 273.380 1.569 20 30 CDEDRP C=C(C)C[NH2+]CC1(NC(=O)[C@H](CC)[NH+](C)C)CCCC1 ZINC001698634891 1175880824 /nfs/dbraw/zinc/88/08/24/1175880824.db2.gz ZDHNOQVCGPHLIZ-AWEZNQCLSA-N 2 0 281.444 1.921 20 30 CDEDRP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001698858962 1175965916 /nfs/dbraw/zinc/96/59/16/1175965916.db2.gz XGKSXXGLVJZSTP-UONOGXRCSA-N 2 0 267.417 1.032 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001725171916 1181904193 /nfs/dbraw/zinc/90/41/93/1181904193.db2.gz ONRTUWNTWWEPFQ-GJZGRUSLSA-N 2 0 283.460 1.975 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC001752992680 1184985611 /nfs/dbraw/zinc/98/56/11/1184985611.db2.gz QVFNJWYYVWEKBR-HNNXBMFYSA-N 2 0 290.411 1.841 20 30 CDEDRP C=C(C)C[N@H+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001753053788 1185024076 /nfs/dbraw/zinc/02/40/76/1185024076.db2.gz UKAVABYTHGUTPZ-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001753232015 1185125670 /nfs/dbraw/zinc/12/56/70/1185125670.db2.gz HIXCDCKUKUEBQC-GJZGRUSLSA-N 2 0 281.444 1.731 20 30 CDEDRP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001753707657 1185310529 /nfs/dbraw/zinc/31/05/29/1185310529.db2.gz PMZRZDORKFKUAB-AWEZNQCLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001753808158 1185341842 /nfs/dbraw/zinc/34/18/42/1185341842.db2.gz BMDYEAWRWDEDMP-CABCVRRESA-N 2 0 281.444 1.731 20 30 CDEDRP C#CC[NH2+]CC[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001753985932 1185418324 /nfs/dbraw/zinc/41/83/24/1185418324.db2.gz ALNKOCUKMHFDIK-OAHLLOKOSA-N 2 0 293.455 1.616 20 30 CDEDRP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001754255624 1185531994 /nfs/dbraw/zinc/53/19/94/1185531994.db2.gz UUOJFBZVHIYXRY-HUUCEWRRSA-N 2 0 279.428 1.224 20 30 CDEDRP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001754285984 1185551389 /nfs/dbraw/zinc/55/13/89/1185551389.db2.gz TVHPWRFYJMCCLA-GJZGRUSLSA-N 2 0 281.444 1.921 20 30 CDEDRP C#CCC[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001754443803 1185621019 /nfs/dbraw/zinc/62/10/19/1185621019.db2.gz FDCLQYVNURYXJH-HZPDHXFCSA-N 2 0 291.439 1.369 20 30 CDEDRP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001754806954 1185736067 /nfs/dbraw/zinc/73/60/67/1185736067.db2.gz JTFQHKXFNIJPBS-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001755216356 1185859585 /nfs/dbraw/zinc/85/95/85/1185859585.db2.gz WKOQFIYROYUFAR-HWOWSKLDSA-N 2 0 293.455 1.779 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001755414537 1185945982 /nfs/dbraw/zinc/94/59/82/1185945982.db2.gz XPEWJPQHFMGDIW-CQSZACIVSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CC[NH2+][C@H](CCNC(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001755551124 1185987862 /nfs/dbraw/zinc/98/78/62/1185987862.db2.gz SMNGIKYFDXQHLQ-OAHLLOKOSA-N 2 0 279.428 1.224 20 30 CDEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001755587852 1186003668 /nfs/dbraw/zinc/00/36/68/1186003668.db2.gz LXTJJACHFXEGLB-LSDHHAIUSA-N 2 0 279.428 1.319 20 30 CDEDRP CC#CC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001755599095 1186007005 /nfs/dbraw/zinc/00/70/05/1186007005.db2.gz DMOMGULYFAVYNN-CQSZACIVSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001755724780 1186047765 /nfs/dbraw/zinc/04/77/65/1186047765.db2.gz XZJJQAAOCSIVBS-STQMWFEESA-N 2 0 253.390 1.093 20 30 CDEDRP N#CCC1CCC([NH+]2CCN(CCCC[NH3+])CC2)CC1 ZINC001173332089 912431358 /nfs/dbraw/zinc/43/13/58/912431358.db2.gz ISUWDBKSJRCYDW-UHFFFAOYSA-N 2 0 278.444 1.815 20 30 CDEDRP CC1(C#N)CCC([NH+]2CCN(CC[NH3+])CC2)CC1 ZINC001173586160 912635753 /nfs/dbraw/zinc/63/57/53/912635753.db2.gz KBEQRJKSGYSQOZ-UHFFFAOYSA-N 2 0 250.390 1.035 20 30 CDEDRP C=CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC000992187768 912803825 /nfs/dbraw/zinc/80/38/25/912803825.db2.gz JWOZUWGAKPDJSI-BFYDXBDKSA-N 2 0 291.439 1.770 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174905439 913394576 /nfs/dbraw/zinc/39/45/76/913394576.db2.gz KNCQABLIMSJGEU-JYJNAYRXSA-N 2 0 293.455 1.615 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001020719946 894556539 /nfs/dbraw/zinc/55/65/39/894556539.db2.gz SGACFSYVIVQBAG-KLHDSHLOSA-N 2 0 291.439 1.816 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001209634092 894797341 /nfs/dbraw/zinc/79/73/41/894797341.db2.gz ZZNZVARGXGPJDA-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206928572 894941724 /nfs/dbraw/zinc/94/17/24/894941724.db2.gz AKFGFEZNSMRPMS-OAHLLOKOSA-N 2 0 279.428 1.342 20 30 CDEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176591544 914171614 /nfs/dbraw/zinc/17/16/14/914171614.db2.gz LVFIPNNDXFEDRR-HNNXBMFYSA-N 2 0 279.428 1.370 20 30 CDEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176564083 914180912 /nfs/dbraw/zinc/18/09/12/914180912.db2.gz LAVYJICSFPZHCI-LSDHHAIUSA-N 2 0 281.444 1.779 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023747098 897785504 /nfs/dbraw/zinc/78/55/04/897785504.db2.gz ZRUXFPNDYNQPIM-CABCVRRESA-N 2 0 279.428 1.342 20 30 CDEDRP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001023761569 897809380 /nfs/dbraw/zinc/80/93/80/897809380.db2.gz CRUOQPYVYPPGRJ-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024447429 898062210 /nfs/dbraw/zinc/06/22/10/898062210.db2.gz WKIGTTHHWPYLGI-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001024800963 898256594 /nfs/dbraw/zinc/25/65/94/898256594.db2.gz KCUWHJKLYLJXLV-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001104599682 898782035 /nfs/dbraw/zinc/78/20/35/898782035.db2.gz WYDYKACZPXJGRI-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001104600033 898782058 /nfs/dbraw/zinc/78/20/58/898782058.db2.gz QIUUOXCJCMYBMC-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001106785047 914300551 /nfs/dbraw/zinc/30/05/51/914300551.db2.gz UYBVFIMZCJBGCK-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001026148635 899431775 /nfs/dbraw/zinc/43/17/75/899431775.db2.gz VSCVEDIKTWQANJ-GRYWWWGRSA-N 2 0 277.412 1.092 20 30 CDEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105010561 899786573 /nfs/dbraw/zinc/78/65/73/899786573.db2.gz QBQSYWBBQCTREV-OAGGEKHMSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176986512 914415448 /nfs/dbraw/zinc/41/54/48/914415448.db2.gz QCOUXJHTJFSLBE-CYBMUJFWSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027332664 900437161 /nfs/dbraw/zinc/43/71/61/900437161.db2.gz QGRIKCOPUKGCID-UONOGXRCSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001027434022 900497875 /nfs/dbraw/zinc/49/78/75/900497875.db2.gz IGIUKLYPNSGYNG-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001027492586 900533567 /nfs/dbraw/zinc/53/35/67/900533567.db2.gz QNVJBISUCPVRSK-MRXNPFEDSA-N 2 0 296.374 1.504 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001027576845 900612476 /nfs/dbraw/zinc/61/24/76/900612476.db2.gz YAUFPCGXJRDITN-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP [NH2+]=C(NCCCC[NH3+])Nc1ccccc1CS ZINC001167881438 901634920 /nfs/dbraw/zinc/63/49/20/901634920.db2.gz GWBBRNHCVPBFPG-UHFFFAOYSA-N 2 0 252.387 1.792 20 30 CDEDRP N#Cc1nccc2cc(NC(=[NH2+])NCCCC[NH3+])ccc12 ZINC001167883542 901643901 /nfs/dbraw/zinc/64/39/01/901643901.db2.gz IPRSTGBLPZRXCO-UHFFFAOYSA-N 2 0 282.351 1.782 20 30 CDEDRP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001028445726 902404385 /nfs/dbraw/zinc/40/43/85/902404385.db2.gz UKHYJKJPGWUZMS-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028647900 903190936 /nfs/dbraw/zinc/19/09/36/903190936.db2.gz PKVLXDGBURFCJX-HZPDHXFCSA-N 2 0 291.439 1.178 20 30 CDEDRP CCN(CC)C(=[NH2+])NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000303867667 906679057 /nfs/dbraw/zinc/67/90/57/906679057.db2.gz ADMXYBRBJQJNIP-CHWSQXEVSA-N 2 0 254.422 1.763 20 30 CDEDRP C[C@@H]1CCC[C@](CNC(=[NH2+])N2CCOCC2)([NH+](C)C)C1 ZINC000303893095 906679140 /nfs/dbraw/zinc/67/91/40/906679140.db2.gz RQPJTLQBEPGFJF-HIFRSBDPSA-N 2 0 282.432 1.144 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC000985481172 906700514 /nfs/dbraw/zinc/70/05/14/906700514.db2.gz NXDMELASDYYZHA-HNNXBMFYSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001003549096 921344567 /nfs/dbraw/zinc/34/45/67/921344567.db2.gz ZPWUWUHZMUDRFE-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001003625168 921366876 /nfs/dbraw/zinc/36/68/76/921366876.db2.gz BXROAKBTHNGYPP-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000988962126 908624333 /nfs/dbraw/zinc/62/43/33/908624333.db2.gz QHBYLVMEFZFQRU-OLZOCXBDSA-N 2 0 299.846 1.802 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001168345320 909135147 /nfs/dbraw/zinc/13/51/47/909135147.db2.gz PIGSCCYBQURLRR-UHFFFAOYSA-N 2 0 281.444 1.779 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127066564 911264469 /nfs/dbraw/zinc/26/44/69/911264469.db2.gz QBNDCXJQZYMRKB-GFCCVEGCSA-N 2 0 273.808 1.318 20 30 CDEDRP C=C(C)C(=O)OCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172108825 911272990 /nfs/dbraw/zinc/27/29/90/911272990.db2.gz ZVMNQKYBSPRWKC-ZSOGYDGISA-N 2 0 266.385 1.711 20 30 CDEDRP C=CCN1CC[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273029756 921686155 /nfs/dbraw/zinc/68/61/55/921686155.db2.gz IYTDXSVMEJLVQM-MRXNPFEDSA-N 2 0 277.412 1.096 20 30 CDEDRP C[C@H](CCCC#N)NC(=[NH2+])SCCSC(N)=[NH2+] ZINC001172490223 911727273 /nfs/dbraw/zinc/72/72/73/911727273.db2.gz XRVZSYZKUZWSBW-MRVPVSSYSA-N 2 0 273.431 1.953 20 30 CDEDRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=[NH2+])N(C)C)C1 ZINC000170910347 912093148 /nfs/dbraw/zinc/09/31/48/912093148.db2.gz CPPVOKILHOHHIZ-RYUDHWBXSA-N 2 0 254.422 1.619 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001179420550 915838928 /nfs/dbraw/zinc/83/89/28/915838928.db2.gz NOZCJQFGRAQSFS-STQMWFEESA-N 2 0 265.401 1.093 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001179554136 915884140 /nfs/dbraw/zinc/88/41/40/915884140.db2.gz QUOWPXQHDAAYGC-KKUMJFAQSA-N 2 0 281.444 1.872 20 30 CDEDRP C[C@@H](CNC(=[NH2+])NC(C)(C)C)[NH+]1CCC(C)CC1 ZINC000303898222 935046509 /nfs/dbraw/zinc/04/65/09/935046509.db2.gz VKLSJYIFGYKJNV-LBPRGKRZSA-N 2 0 254.422 1.810 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000303897553 935047180 /nfs/dbraw/zinc/04/71/80/935047180.db2.gz QPJOJNDDZWTLFO-RWMBFGLXSA-N 2 0 270.421 1.046 20 30 CDEDRP CC(C)CCNC(=[NH2+])NCC[NH+]1CCC(C)CC1 ZINC000303887603 935047463 /nfs/dbraw/zinc/04/74/63/935047463.db2.gz KZBITENNDYHMIY-UHFFFAOYSA-N 2 0 254.422 1.669 20 30 CDEDRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])NCCc2ccccc2)C1 ZINC000303901448 935047526 /nfs/dbraw/zinc/04/75/26/935047526.db2.gz SROJMFVORJUWLA-OAHLLOKOSA-N 2 0 288.439 1.865 20 30 CDEDRP CCCNC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000303884142 935047734 /nfs/dbraw/zinc/04/77/34/935047734.db2.gz MRAOIQKMTNCKMR-GFCCVEGCSA-N 2 0 254.422 1.811 20 30 CDEDRP C[NH+](C)CC1(CNC(=[NH2+])NC[C@H]2CCCO2)CCCC1 ZINC000183646156 917481895 /nfs/dbraw/zinc/48/18/95/917481895.db2.gz HKZMXUZFQYVXAW-CYBMUJFWSA-N 2 0 282.432 1.192 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032027005 917601370 /nfs/dbraw/zinc/60/13/70/917601370.db2.gz LRUGJCBFTGTBAH-OAHLLOKOSA-N 2 0 279.428 1.483 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182472578 917910931 /nfs/dbraw/zinc/91/09/31/917910931.db2.gz FFVUQAQGYKJMBN-HUUCEWRRSA-N 2 0 277.412 1.073 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001054734809 936469754 /nfs/dbraw/zinc/46/97/54/936469754.db2.gz DDBYBPGGMNLZSE-UKRRQHHQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995917479 918182832 /nfs/dbraw/zinc/18/28/32/918182832.db2.gz VELGFBDTRICRTR-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)NC(C)(C)CC[NH+](C)C ZINC001183086117 918280035 /nfs/dbraw/zinc/28/00/35/918280035.db2.gz QTNHJYZVVZFSSN-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC001183086518 918282943 /nfs/dbraw/zinc/28/29/43/918282943.db2.gz WNUQUVREBDNZSU-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001183221449 918366769 /nfs/dbraw/zinc/36/67/69/918366769.db2.gz JSMSOGIEDJTAEO-NVXWUHKLSA-N 2 0 293.455 1.426 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000996766022 918418496 /nfs/dbraw/zinc/41/84/96/918418496.db2.gz XFVGKCSIPHOCLI-MRXNPFEDSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001000190761 936526810 /nfs/dbraw/zinc/52/68/10/936526810.db2.gz HOGNPBDXXOQQTN-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001000848238 936541786 /nfs/dbraw/zinc/54/17/86/936541786.db2.gz DBBNRFNDTIIZBM-INIZCTEOSA-N 2 0 291.439 1.795 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001050144440 936556235 /nfs/dbraw/zinc/55/62/35/936556235.db2.gz KSCWSVUSQUWRCH-HRCADAONSA-N 2 0 293.455 1.826 20 30 CDEDRP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000997950102 919439633 /nfs/dbraw/zinc/43/96/33/919439633.db2.gz QBNWALMVJODIRQ-JKSUJKDBSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001052658710 936585259 /nfs/dbraw/zinc/58/52/59/936585259.db2.gz XLXAXJFGEPQFND-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001186452255 920024908 /nfs/dbraw/zinc/02/49/08/920024908.db2.gz NDIGTLYGPGWEHY-GFCCVEGCSA-N 2 0 273.808 1.271 20 30 CDEDRP C#CC[N@@H+](C)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140303899 936699544 /nfs/dbraw/zinc/69/95/44/936699544.db2.gz CYURLYPNFKJTDR-UHFFFAOYSA-N 2 0 271.408 1.894 20 30 CDEDRP C=C(C)Cc1ccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cc1 ZINC001190231640 921910864 /nfs/dbraw/zinc/91/08/64/921910864.db2.gz KIZBLWKADIHWDY-UHFFFAOYSA-N 2 0 288.395 1.880 20 30 CDEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190238044 921927333 /nfs/dbraw/zinc/92/73/33/921927333.db2.gz IHKVPYJHLLXKJX-QLFBSQMISA-N 2 0 279.428 1.435 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)c1sccc1C[NH+](C)C ZINC001128545244 922005719 /nfs/dbraw/zinc/00/57/19/922005719.db2.gz WHYFMZFFYMYUCO-UHFFFAOYSA-N 2 0 281.425 1.705 20 30 CDEDRP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001190491285 922047287 /nfs/dbraw/zinc/04/72/87/922047287.db2.gz FKZJHUFAAYLCMM-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033357881 922183137 /nfs/dbraw/zinc/18/31/37/922183137.db2.gz CSALDVLNBUDVAX-HRCADAONSA-N 2 0 291.439 1.273 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033828263 922389989 /nfs/dbraw/zinc/38/99/89/922389989.db2.gz NXDXLOLMQKJEDP-CVEARBPZSA-N 2 0 293.455 1.968 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC001191632031 922669355 /nfs/dbraw/zinc/66/93/55/922669355.db2.gz AZWHLVLJHOVVGE-HNNXBMFYSA-N 2 0 290.411 1.772 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684441 922715877 /nfs/dbraw/zinc/71/58/77/922715877.db2.gz RSEOEXGXJWYEKI-OAHLLOKOSA-N 2 0 293.455 1.970 20 30 CDEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035669447 923030899 /nfs/dbraw/zinc/03/08/99/923030899.db2.gz RHFWCOOWADKIGZ-HNNXBMFYSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001036091078 923098404 /nfs/dbraw/zinc/09/84/04/923098404.db2.gz JZVXWYFVXIFUHT-GJZGRUSLSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001036207254 923121112 /nfs/dbraw/zinc/12/11/12/923121112.db2.gz FSUZLVDFNLFHIY-ZBFHGGJFSA-N 2 0 291.439 1.178 20 30 CDEDRP CNC(NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)=[NH+]C ZINC000708793763 923196381 /nfs/dbraw/zinc/19/63/81/923196381.db2.gz JXEQRKDJVPRAPS-DZGCQCFKSA-N 2 0 274.412 1.549 20 30 CDEDRP C[C@@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)CC[C@@H]1C[NH3+] ZINC001205618625 923418714 /nfs/dbraw/zinc/41/87/14/923418714.db2.gz XSACWAWWVPBSKX-TZMCWYRMSA-N 2 0 260.385 1.704 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193559820 923798326 /nfs/dbraw/zinc/79/83/26/923798326.db2.gz MDMDECJCVJNYQA-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001079849096 924442088 /nfs/dbraw/zinc/44/20/88/924442088.db2.gz NTIYMYPVDFOGMB-OWCLPIDISA-N 2 0 291.439 1.319 20 30 CDEDRP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001080998561 924676467 /nfs/dbraw/zinc/67/64/67/924676467.db2.gz CTCZKJYKJSHSER-OAGGEKHMSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001100905017 936944319 /nfs/dbraw/zinc/94/43/19/936944319.db2.gz RRVUUEFRUPYBRK-UHFFFAOYSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CCC[N@H+]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001196009883 924783635 /nfs/dbraw/zinc/78/36/35/924783635.db2.gz FZGMYZZWQVHSCI-OAHLLOKOSA-N 2 0 299.434 1.777 20 30 CDEDRP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001196011072 924784319 /nfs/dbraw/zinc/78/43/19/924784319.db2.gz XIINNIDEDPGTEP-HNNXBMFYSA-N 2 0 299.434 1.777 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001101064207 936955123 /nfs/dbraw/zinc/95/51/23/936955123.db2.gz XNXDQWNGTIMIKM-UHFFFAOYSA-N 2 0 291.439 1.370 20 30 CDEDRP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001198097564 925324498 /nfs/dbraw/zinc/32/44/98/925324498.db2.gz DDZDBAWKQSVTSC-OAHLLOKOSA-N 2 0 279.428 1.439 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001198283269 925384885 /nfs/dbraw/zinc/38/48/85/925384885.db2.gz RWFPPQMHGHYNBM-UHFFFAOYSA-N 2 0 267.417 1.437 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001152452203 925430528 /nfs/dbraw/zinc/43/05/28/925430528.db2.gz WPYYTPREBWLYSX-HUUCEWRRSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102049745 937039662 /nfs/dbraw/zinc/03/96/62/937039662.db2.gz AGAOIKDEVJGYKF-ZIAGYGMSSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001085519768 926110488 /nfs/dbraw/zinc/11/04/88/926110488.db2.gz XEGSDUXODODTMR-KBPBESRZSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102355059 937054087 /nfs/dbraw/zinc/05/40/87/937054087.db2.gz NJDNBLDSNDTPAM-OAGGEKHMSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203324344 926235603 /nfs/dbraw/zinc/23/56/03/926235603.db2.gz HEXUZRJDCYEHDT-CABCVRRESA-N 2 0 293.455 1.921 20 30 CDEDRP CC#CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001085988265 926570524 /nfs/dbraw/zinc/57/05/24/926570524.db2.gz YIPOHWDDWQRNGQ-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001086102394 926706551 /nfs/dbraw/zinc/70/65/51/926706551.db2.gz UYDHMPRWZMIXPY-QLFBSQMISA-N 2 0 279.428 1.531 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001086119372 926723829 /nfs/dbraw/zinc/72/38/29/926723829.db2.gz KXKNBDCLJMAUDQ-XUWVNRHRSA-N 2 0 291.439 1.674 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001086197740 926812948 /nfs/dbraw/zinc/81/29/48/926812948.db2.gz YPWWUTNRFFEKMT-RUZUBIRVSA-N 2 0 299.846 1.421 20 30 CDEDRP C#CCNC(=O)C[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000782535971 937253776 /nfs/dbraw/zinc/25/37/76/937253776.db2.gz KLOYSYXMKUZLMF-UHFFFAOYSA-N 2 0 293.455 1.570 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001108717855 928614841 /nfs/dbraw/zinc/61/48/41/928614841.db2.gz WYTZJMUPAPYECB-ZNMIVQPWSA-N 2 0 291.439 1.319 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001109417742 928928871 /nfs/dbraw/zinc/92/88/71/928928871.db2.gz LSHAHMZXAHWCBS-WCVJEAGWSA-N 2 0 291.439 1.768 20 30 CDEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927685 929070129 /nfs/dbraw/zinc/07/01/29/929070129.db2.gz QUSDXIJBEPUIGG-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152148852 937339843 /nfs/dbraw/zinc/33/98/43/937339843.db2.gz SEBIHWHYEAGEJL-ZIAGYGMSSA-N 2 0 267.417 1.531 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135308036 930138822 /nfs/dbraw/zinc/13/88/22/930138822.db2.gz NDTXIGZXKXSOHE-OLZOCXBDSA-N 2 0 289.851 1.954 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135314926 930150300 /nfs/dbraw/zinc/15/03/00/930150300.db2.gz IYKDKRFSGRXRSQ-ZIAGYGMSSA-N 2 0 269.433 1.777 20 30 CDEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCCCC1 ZINC001115591884 937398115 /nfs/dbraw/zinc/39/81/15/937398115.db2.gz JQBWTMBNVVNRJE-OAHLLOKOSA-N 2 0 293.455 1.759 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860629 930478662 /nfs/dbraw/zinc/47/86/62/930478662.db2.gz FRIORMAUINZLBN-ZIAGYGMSSA-N 2 0 267.417 1.224 20 30 CDEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001159628977 930493490 /nfs/dbraw/zinc/49/34/90/930493490.db2.gz STCRWOGBDXCNDV-MRXNPFEDSA-N 2 0 289.423 1.242 20 30 CDEDRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000134123838 930508126 /nfs/dbraw/zinc/50/81/26/930508126.db2.gz QPMABTSKHBOZFP-CQSZACIVSA-N 2 0 266.433 1.765 20 30 CDEDRP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135922951 930541793 /nfs/dbraw/zinc/54/17/93/930541793.db2.gz DQCFAXULQKCTAW-HUUCEWRRSA-N 2 0 299.459 1.404 20 30 CDEDRP N#CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817917451 930631384 /nfs/dbraw/zinc/63/13/84/930631384.db2.gz GVXYZXRMXUFKBZ-HIFRSBDPSA-N 2 0 259.353 1.806 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001153266848 937435498 /nfs/dbraw/zinc/43/54/98/937435498.db2.gz XFUWDSYAJATGDE-UHFFFAOYSA-N 2 0 291.395 1.464 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153824123 937474130 /nfs/dbraw/zinc/47/41/30/937474130.db2.gz LVPZCTKGAIKAEF-HIFRSBDPSA-N 2 0 281.444 1.729 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001171117571 931577157 /nfs/dbraw/zinc/57/71/57/931577157.db2.gz BTCAZEPUEBAPCY-HOTGVXAUSA-N 2 0 293.455 1.759 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001091026186 931732619 /nfs/dbraw/zinc/73/26/19/931732619.db2.gz JOCWCDVNVXEKQP-UYSNPLJNSA-N 2 0 293.455 1.920 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171204907 931953803 /nfs/dbraw/zinc/95/38/03/931953803.db2.gz HTUUGSLLIPJYSQ-AWEZNQCLSA-N 2 0 285.432 1.015 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171238687 932091946 /nfs/dbraw/zinc/09/19/46/932091946.db2.gz YGWSAPLJLUWDEM-CQSZACIVSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146337431 932236527 /nfs/dbraw/zinc/23/65/27/932236527.db2.gz CKSFDFVKJYNJMA-STQMWFEESA-N 2 0 253.390 1.141 20 30 CDEDRP C=CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001147349312 932478275 /nfs/dbraw/zinc/47/82/75/932478275.db2.gz NGCAONVXBXDISW-AWEZNQCLSA-N 2 0 267.417 1.533 20 30 CDEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148747905 932785890 /nfs/dbraw/zinc/78/58/90/932785890.db2.gz DFLAUPQSLKNZDH-HNNXBMFYSA-N 2 0 291.439 1.439 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155263286 937655533 /nfs/dbraw/zinc/65/55/33/937655533.db2.gz OYOPDCNSEOAJFR-OAHLLOKOSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110995531 933424853 /nfs/dbraw/zinc/42/48/53/933424853.db2.gz ZXODKXNIHNEBOQ-LVQVYYBASA-N 2 0 293.455 1.870 20 30 CDEDRP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001111234192 934292361 /nfs/dbraw/zinc/29/23/61/934292361.db2.gz AYWSXDPELHDPRJ-KFWWJZLASA-N 2 0 277.412 1.073 20 30 CDEDRP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CCC)C2 ZINC001111303975 934539882 /nfs/dbraw/zinc/53/98/82/934539882.db2.gz JSGZWZFLKWZXLK-KFWWJZLASA-N 2 0 277.412 1.073 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120128862 937782388 /nfs/dbraw/zinc/78/23/88/937782388.db2.gz AKLCEYXXLDGZLD-AWEZNQCLSA-N 2 0 279.428 1.533 20 30 CDEDRP COCC[N@H+](C)CCCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000303872548 935046161 /nfs/dbraw/zinc/04/61/61/935046161.db2.gz CBIACMNXPXHRPZ-ZDUSSCGKSA-N 2 0 270.421 1.001 20 30 CDEDRP [NH2+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCCCCC1 ZINC000305033963 935097837 /nfs/dbraw/zinc/09/78/37/935097837.db2.gz AYYCZCOKIHPDSR-CYBMUJFWSA-N 2 0 264.417 1.661 20 30 CDEDRP C=C[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001253597586 935313091 /nfs/dbraw/zinc/31/30/91/935313091.db2.gz GAMZWRITKRAHRF-HZPDHXFCSA-N 2 0 260.381 1.645 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CC ZINC001037973759 935322976 /nfs/dbraw/zinc/32/29/76/935322976.db2.gz BVXUJZNMNNFOJA-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014404463 935536399 /nfs/dbraw/zinc/53/63/99/935536399.db2.gz CVAXDWHSGQZVHX-HUUCEWRRSA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001015703049 935581384 /nfs/dbraw/zinc/58/13/84/935581384.db2.gz ZBDQUHCSOGTHED-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001019000721 935690171 /nfs/dbraw/zinc/69/01/71/935690171.db2.gz LGOHFJXKYZMCSV-STQMWFEESA-N 2 0 287.835 1.516 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001019289163 935700215 /nfs/dbraw/zinc/70/02/15/935700215.db2.gz XPJZJZHWBVNTSH-KKUMJFAQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001039470898 935775782 /nfs/dbraw/zinc/77/57/82/935775782.db2.gz YKOXLKYHWAHZEL-CVEARBPZSA-N 2 0 291.439 1.724 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cnc2C)[C@@H](C)C1 ZINC001044840201 935871358 /nfs/dbraw/zinc/87/13/58/935871358.db2.gz ILKCLQPBZLBHSG-WCQYABFASA-N 2 0 276.384 1.416 20 30 CDEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046739228 935971876 /nfs/dbraw/zinc/97/18/76/935971876.db2.gz KUECBZDHLUWXQW-KRWDZBQOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C1CCC1 ZINC001049514691 936152674 /nfs/dbraw/zinc/15/26/74/936152674.db2.gz ITOMOTBZCZTEFS-CVEARBPZSA-N 2 0 291.439 1.722 20 30 CDEDRP N#Cc1nc(NC(=[NH2+])NCCCC[NH3+])ccc1Cl ZINC001157094190 938453396 /nfs/dbraw/zinc/45/33/96/938453396.db2.gz MZFCPRQRAXVYIW-UHFFFAOYSA-N 2 0 266.736 1.282 20 30 CDEDRP N#Cc1c(N[C@H]2C[NH2+]CC[C@H]2F)ncc2c1CCC[NH2+]C2 ZINC001157446153 938492701 /nfs/dbraw/zinc/49/27/01/938492701.db2.gz VWWHEKQBUBQFCZ-KGLIPLIRSA-N 2 0 289.358 1.101 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158426006 938623370 /nfs/dbraw/zinc/62/33/70/938623370.db2.gz YOHSTZPGFJNYLB-IHRRRGAJSA-N 2 0 265.401 1.413 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159915218 938760270 /nfs/dbraw/zinc/76/02/70/938760270.db2.gz HQVNIDJMPNBNKT-GFCCVEGCSA-N 2 0 273.808 1.175 20 30 CDEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C#N ZINC001160635582 938805411 /nfs/dbraw/zinc/80/54/11/938805411.db2.gz AZSJUBRYYYIMFP-KBPBESRZSA-N 2 0 280.416 1.387 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161859662 938936373 /nfs/dbraw/zinc/93/63/73/938936373.db2.gz JWBOFQDWTGNIRG-UHFFFAOYSA-N 2 0 258.325 1.230 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163231252 939230149 /nfs/dbraw/zinc/23/01/49/939230149.db2.gz BSZOHHVNXNVKID-INIZCTEOSA-N 2 0 293.455 1.923 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001166866887 939645944 /nfs/dbraw/zinc/64/59/44/939645944.db2.gz YFEWDEQZORLGQE-NSHDSACASA-N 2 0 261.797 1.175 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203316589 939683112 /nfs/dbraw/zinc/68/31/12/939683112.db2.gz HMPXKJOHTLSXHB-ZIAGYGMSSA-N 2 0 279.428 1.531 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203793332 939704495 /nfs/dbraw/zinc/70/44/95/939704495.db2.gz SBBJWYKXICIOQQ-CABCVRRESA-N 2 0 293.455 1.920 20 30 CDEDRP C=CCc1cccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1O ZINC001205221188 939837609 /nfs/dbraw/zinc/83/76/09/939837609.db2.gz QTNOGBNMVHFONY-QGZVFWFLSA-N 2 0 290.407 1.796 20 30 CDEDRP C=CCn1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cn1 ZINC001205558669 939903095 /nfs/dbraw/zinc/90/30/95/939903095.db2.gz HZQPQRGMAPETME-AWEZNQCLSA-N 2 0 266.364 1.722 20 30 CDEDRP Cc1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)cc1C#N ZINC001205682802 939918471 /nfs/dbraw/zinc/91/84/71/939918471.db2.gz VPGIHCXPEFNDTA-INIZCTEOSA-N 2 0 273.380 1.542 20 30 CDEDRP CCOC(=O)C1(C#N)CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001207399611 940190090 /nfs/dbraw/zinc/19/00/90/940190090.db2.gz OXRUGHUVTKKMIS-UHFFFAOYSA-N 2 0 293.411 1.497 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208013704 940279335 /nfs/dbraw/zinc/27/93/35/940279335.db2.gz JJWBRDOVFXUPQE-CVEARBPZSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001209661181 940624367 /nfs/dbraw/zinc/62/43/67/940624367.db2.gz UIVJUHZGVHWFDG-AWEZNQCLSA-N 2 0 281.444 1.731 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001214999973 940851236 /nfs/dbraw/zinc/85/12/36/940851236.db2.gz SYOFOSFCDHSWHQ-ZIAGYGMSSA-N 2 0 279.428 1.177 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001215069342 940853962 /nfs/dbraw/zinc/85/39/62/940853962.db2.gz KGNQNXAADIBFDW-CZUORRHYSA-N 2 0 296.374 1.408 20 30 CDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217927781 941030326 /nfs/dbraw/zinc/03/03/26/941030326.db2.gz XPRHRHRALPUBBL-GCSSGZNBSA-N 2 0 280.412 1.467 20 30 CDEDRP C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc2c[nH+]cn2c1C ZINC001523876223 970774573 /nfs/dbraw/zinc/77/45/73/970774573.db2.gz XQUMNRGMFRNMHW-HNNXBMFYSA-N 2 0 297.358 1.897 20 30 CDEDRP N#Cc1cc(F)c(NC(=O)[C@@H]([NH3+])CCC[NH3+])c(Cl)c1 ZINC001218995100 941299897 /nfs/dbraw/zinc/29/98/97/941299897.db2.gz OWAGUSHHOMEPFE-JTQLQIEISA-N 2 0 284.722 1.355 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC001221398679 941530133 /nfs/dbraw/zinc/53/01/33/941530133.db2.gz FRFCRRBESZINOD-RDJZCZTQSA-N 2 0 285.391 1.125 20 30 CDEDRP C=CC[NH2+]CCN1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001222644075 941621737 /nfs/dbraw/zinc/62/17/37/941621737.db2.gz YBTCZUPOIRGRCK-GFCCVEGCSA-N 2 0 291.361 1.768 20 30 CDEDRP Cc1cc(C#N)ccc1CN1CC2(CCN2CC[NH+](C)C)C1 ZINC001276858137 941652544 /nfs/dbraw/zinc/65/25/44/941652544.db2.gz BQUIPZRTWBTXJT-UHFFFAOYSA-N 2 0 298.434 1.688 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001229254893 942440478 /nfs/dbraw/zinc/44/04/78/942440478.db2.gz ZQOKGIJKHOFOIG-AWEZNQCLSA-N 2 0 267.417 1.483 20 30 CDEDRP C#Cc1cccc(CN(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC001231659864 942965143 /nfs/dbraw/zinc/96/51/43/942965143.db2.gz VDTXZTCOQMGXRK-UHFFFAOYSA-N 2 0 273.424 1.593 20 30 CDEDRP C#CC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC001232362881 943243068 /nfs/dbraw/zinc/24/30/68/943243068.db2.gz HECHPIQOFXVVHK-UHFFFAOYSA-N 2 0 298.434 1.679 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC001263111402 943751817 /nfs/dbraw/zinc/75/18/17/943751817.db2.gz BUPIOOVWSGEQPP-KGLIPLIRSA-N 2 0 267.417 1.613 20 30 CDEDRP C=CCCCCCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC001236081321 944400811 /nfs/dbraw/zinc/40/08/11/944400811.db2.gz CTQKWYGSNMQKCI-UHFFFAOYSA-N 2 0 253.434 1.960 20 30 CDEDRP C=CCN1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)C1=O ZINC001254510394 947475060 /nfs/dbraw/zinc/47/50/60/947475060.db2.gz VLFSIXPTUQYTFH-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP C[NH2+]C1CCC(NC(=[NH2+])c2ccc(C(=O)OC)cc2)CC1 ZINC001246306745 948094839 /nfs/dbraw/zinc/09/48/39/948094839.db2.gz YERNDWOCXPAOQV-UHFFFAOYSA-N 2 0 289.379 1.709 20 30 CDEDRP N#Cc1ccccc1OCCC[NH2+]C1CC[NH2+]CC1 ZINC001246326610 948107359 /nfs/dbraw/zinc/10/73/59/948107359.db2.gz FSPLDAZQFYHIQH-UHFFFAOYSA-N 2 0 259.353 1.669 20 30 CDEDRP N#Cc1cc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)ccc1Cl ZINC001246472529 948192315 /nfs/dbraw/zinc/19/23/15/948192315.db2.gz YLUBKKFPHMLYHC-CYBMUJFWSA-N 2 0 290.798 1.395 20 30 CDEDRP N#CCC1CCC([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)CC1 ZINC001246547343 948252419 /nfs/dbraw/zinc/25/24/19/948252419.db2.gz CPTICROSONIEIC-NRXISQOPSA-N 2 0 265.401 1.635 20 30 CDEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001479892533 971471580 /nfs/dbraw/zinc/47/15/80/971471580.db2.gz XLJOLRPPSXIWTO-OAHLLOKOSA-N 2 0 279.428 1.129 20 30 CDEDRP C#CCOCCOCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001256564085 948345565 /nfs/dbraw/zinc/34/55/65/948345565.db2.gz QSUARLYQQXIVAX-UHFFFAOYSA-N 2 0 282.428 1.505 20 30 CDEDRP C[N@H+]1[C@@H]2CC[C@H]1CC(NC1(C#N)CC[NH+](C)CC1)C2 ZINC001256621681 948366702 /nfs/dbraw/zinc/36/67/02/948366702.db2.gz ZFGKRJYKOSXUQS-AGUYFDCRSA-N 2 0 262.401 1.189 20 30 CDEDRP N#Cc1cccc(-c2noc([C@]34C[NH2+]C[C@H]3C[NH2+]CC4)n2)c1 ZINC001247855766 948822960 /nfs/dbraw/zinc/82/29/60/948822960.db2.gz VWEZORISNDSVNQ-CZUORRHYSA-N 2 0 295.346 1.059 20 30 CDEDRP CC#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001569137446 1169681777 /nfs/dbraw/zinc/68/17/77/1169681777.db2.gz AZBDDSPJPNQNQL-UONOGXRCSA-N 2 0 267.417 1.032 20 30 CDEDRP N#CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC001327197071 954765475 /nfs/dbraw/zinc/76/54/75/954765475.db2.gz LVVAITDUBYGJJE-UONOGXRCSA-N 2 0 259.353 1.948 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(CC)[C@H]1CCC[NH2+]C1 ZINC001342174266 963662274 /nfs/dbraw/zinc/66/22/74/963662274.db2.gz OUBDYIDVSAVUFE-QWHCGFSZSA-N 2 0 253.390 1.271 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001100647108 968862586 /nfs/dbraw/zinc/86/25/86/968862586.db2.gz CWLQOARNPVOPLT-YMAMQOFZSA-N 2 0 281.444 1.633 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001200841406 969001807 /nfs/dbraw/zinc/00/18/07/969001807.db2.gz SATXADRDYSAEPH-HNNXBMFYSA-N 2 0 297.418 1.270 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001100734080 969038547 /nfs/dbraw/zinc/03/85/47/969038547.db2.gz MBLYJMOYLBSAKX-UHFFFAOYSA-N 2 0 291.439 1.226 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC[C@H](C)[NH+]1CCCC1 ZINC000848986633 969381895 /nfs/dbraw/zinc/38/18/95/969381895.db2.gz OADVBQGMQVDBOI-LBPRGKRZSA-N 2 0 264.373 1.429 20 30 CDEDRP C=C(Cl)CN(C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001401424754 975656331 /nfs/dbraw/zinc/65/63/31/975656331.db2.gz PJQDAANFJBDWDM-ZDUSSCGKSA-N 2 0 289.851 1.715 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132273628 1163225349 /nfs/dbraw/zinc/22/53/49/1163225349.db2.gz HZGXDHNOXYMZKP-UONOGXRCSA-N 2 0 267.417 1.483 20 30 CDEDRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442768145 362088451 /nfs/dbraw/zinc/08/84/51/362088451.db2.gz NZCYKGPZMKMMEP-KGLIPLIRSA-N 2 0 265.401 1.504 20 30 CDEDRP N#C[C@@H]1CC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000442784058 362090994 /nfs/dbraw/zinc/09/09/94/362090994.db2.gz SHKDPPZLVAVNBJ-KFWWJZLASA-N 2 0 265.401 1.505 20 30 CDEDRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000596651448 343371465 /nfs/dbraw/zinc/37/14/65/343371465.db2.gz QFACYPZKYDDUQH-RCBQFDQVSA-N 2 0 273.380 1.443 20 30 CDEDRP N#Cc1ccccc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000598680069 343875466 /nfs/dbraw/zinc/87/54/66/343875466.db2.gz SGFJGIDDPWKKKA-SJORKVTESA-N 2 0 285.391 1.886 20 30 CDEDRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598728200 343886843 /nfs/dbraw/zinc/88/68/43/343886843.db2.gz OTNRLQKVPZPQGI-ZIAGYGMSSA-N 2 0 267.417 1.609 20 30 CDEDRP C=CCNC(=[NH2+])NCCC[N@@H+]1CCc2ccccc2C1 ZINC000264068697 362957159 /nfs/dbraw/zinc/95/71/59/362957159.db2.gz CIFNYXMIWQOISZ-UHFFFAOYSA-N 2 0 272.396 1.525 20 30 CDEDRP CNC(=[NH2+])NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000264109290 362969743 /nfs/dbraw/zinc/96/97/43/362969743.db2.gz QGVZXNFTAPVSFP-AWEZNQCLSA-N 2 0 260.385 1.666 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000130543969 538453946 /nfs/dbraw/zinc/45/39/46/538453946.db2.gz HUODIWZOEHGYDJ-CQSZACIVSA-N 2 0 253.434 1.957 20 30 CDEDRP C#CCn1ccc(C[N@H+](CC)CCCn2ccnc2C)n1 ZINC000279715529 359593637 /nfs/dbraw/zinc/59/36/37/359593637.db2.gz KXBQFDWIDGBEMO-UHFFFAOYSA-N 2 0 285.395 1.933 20 30 CDEDRP C[NH+](C)C[C@@H]1CC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337191336 360017017 /nfs/dbraw/zinc/01/70/17/360017017.db2.gz SKAUHRGYFQTBEM-HNNXBMFYSA-N 2 0 279.428 1.970 20 30 CDEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200002 360085313 /nfs/dbraw/zinc/08/53/13/360085313.db2.gz VHXRVILWRMUOPP-MRXNPFEDSA-N 2 0 291.439 1.651 20 30 CDEDRP C[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)CN1CC[NH+](C)CC1 ZINC000249043083 360115109 /nfs/dbraw/zinc/11/51/09/360115109.db2.gz VGSVROKNDCQKRF-OAGGEKHMSA-N 2 0 278.444 1.542 20 30 CDEDRP C=CC[C@@H](CO)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000539296494 368412699 /nfs/dbraw/zinc/41/26/99/368412699.db2.gz BRINCORHTPSINZ-CQSZACIVSA-N 2 0 252.402 1.635 20 30 CDEDRP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000361465284 368833159 /nfs/dbraw/zinc/83/31/59/368833159.db2.gz VFYRASYJIYDNTP-RDBSUJKOSA-N 2 0 251.374 1.115 20 30 CDEDRP C[NH+](C)CCCN(CCC#N)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000572853970 371322340 /nfs/dbraw/zinc/32/23/40/371322340.db2.gz UJOGGBCSOTYCHQ-UHFFFAOYSA-N 2 0 294.443 1.412 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000165199164 375926828 /nfs/dbraw/zinc/92/68/28/375926828.db2.gz ASCRGVOYTYBLJE-HOTGVXAUSA-N 2 0 293.455 1.943 20 30 CDEDRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CC[C@@H](C#N)C3)ccn2)CC1 ZINC000571743758 377521444 /nfs/dbraw/zinc/52/14/44/377521444.db2.gz KZSYXDMQEGKGND-ZBFHGGJFSA-N 2 0 299.422 1.615 20 30 CDEDRP C=C[C@H](CO)[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000289607528 378328510 /nfs/dbraw/zinc/32/85/10/378328510.db2.gz CXHMIBIFBWYUOU-BMFZPTHFSA-N 2 0 260.381 1.643 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCC2CC[NH+](Cc3cccs3)CC2)N1 ZINC000262660264 391808151 /nfs/dbraw/zinc/80/81/51/391808151.db2.gz MTDNZIQQJUDDFL-GFCCVEGCSA-N 2 0 292.452 1.897 20 30 CDEDRP CC[NH+](CC)Cc1ccccc1CNC1=[NH+]C[C@@H](C)N1 ZINC000262677889 391811251 /nfs/dbraw/zinc/81/12/51/391811251.db2.gz URXTXNDXTDZLBC-CYBMUJFWSA-N 2 0 274.412 1.966 20 30 CDEDRP [NH2+]=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)Nc1ccccn1 ZINC000262794612 391823021 /nfs/dbraw/zinc/82/30/21/391823021.db2.gz NHUOOXBVHWSRLF-ZDUSSCGKSA-N 2 0 273.384 1.825 20 30 CDEDRP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000129110966 260383190 /nfs/dbraw/zinc/38/31/90/260383190.db2.gz NYVJDKSLRNHIJQ-GJZGRUSLSA-N 2 0 292.427 1.165 20 30 CDEDRP C=CCN(CC=C)[C@@H](CNC1=[NH+]C[C@H](C)N1)C(C)C ZINC000285023388 263089348 /nfs/dbraw/zinc/08/93/48/263089348.db2.gz JIGWIERICFAUBP-KBPBESRZSA-N 2 0 264.417 1.622 20 30 CDEDRP COc1ccc(NC(=[NH2+])NC[C@H](C)C[NH+](C)C)cc1OC ZINC000291910312 263126412 /nfs/dbraw/zinc/12/64/12/263126412.db2.gz LZZOYCWETBDRPB-NSHDSACASA-N 2 0 294.399 1.628 20 30 CDEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353392462 279312951 /nfs/dbraw/zinc/31/29/51/279312951.db2.gz ZPFPVAQYLQXKAU-RDTXWAMCSA-N 2 0 298.434 1.771 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C)c1 ZINC000264146049 328157515 /nfs/dbraw/zinc/15/75/15/328157515.db2.gz XWPKJQRPASCUOX-HNNXBMFYSA-N 2 0 274.412 1.884 20 30 CDEDRP C=CCOCC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000559106494 327141531 /nfs/dbraw/zinc/14/15/31/327141531.db2.gz UDMOWANXROYFMM-MRXNPFEDSA-N 2 0 281.444 1.289 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(C)CCCC[C@@H]1O ZINC000262430833 330010180 /nfs/dbraw/zinc/01/01/80/330010180.db2.gz OIIDFVLGJFDGNM-YCPHGPKFSA-N 2 0 296.459 1.316 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000262532820 330019917 /nfs/dbraw/zinc/01/99/17/330019917.db2.gz OMZMNLHBHUSVHM-SYQHCUMBSA-N 2 0 294.443 1.189 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H](OC)C1(C)C ZINC000262774330 330030614 /nfs/dbraw/zinc/03/06/14/330030614.db2.gz HYJYHEUCFZFQAQ-FRRDWIJNSA-N 2 0 282.432 1.189 20 30 CDEDRP C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000423455005 330203359 /nfs/dbraw/zinc/20/33/59/330203359.db2.gz MCTRFMZSPKJCTB-CXUGXGMPSA-N 2 0 293.455 1.824 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000424078849 330221370 /nfs/dbraw/zinc/22/13/70/330221370.db2.gz QKQPQSKBSRMELT-QWHCGFSZSA-N 2 0 266.389 1.031 20 30 CDEDRP CC1CC[NH+](CCCCNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424125966 330259071 /nfs/dbraw/zinc/25/90/71/330259071.db2.gz AYMZBFGBZKJUQI-OAHLLOKOSA-N 2 0 294.443 1.636 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCCCC1 ZINC000424127532 330259274 /nfs/dbraw/zinc/25/92/74/330259274.db2.gz AYESMHIMGIVFSY-CQSZACIVSA-N 2 0 280.416 1.390 20 30 CDEDRP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1CCCCC1 ZINC000424131746 330264017 /nfs/dbraw/zinc/26/40/17/330264017.db2.gz JQZRQDWXPGWEEC-LSDHHAIUSA-N 2 0 294.443 1.634 20 30 CDEDRP C#CCNC(=O)CC[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000491383430 332201645 /nfs/dbraw/zinc/20/16/45/332201645.db2.gz LSKKGISELGWAPM-OAHLLOKOSA-N 2 0 279.428 1.228 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001113686494 1162255764 /nfs/dbraw/zinc/25/57/64/1162255764.db2.gz GWUZCLOFZPNXTA-HNNXBMFYSA-N 2 0 281.444 1.826 20 30 CDEDRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000049557001 524474556 /nfs/dbraw/zinc/47/45/56/524474556.db2.gz OCMUUHCKWNLNQW-WFASDCNBSA-N 2 0 261.369 1.521 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)CC1 ZINC000334904873 526587458 /nfs/dbraw/zinc/58/74/58/526587458.db2.gz AKJSNGKMQAVZTN-KBPBESRZSA-N 2 0 294.443 1.419 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000764429283 575906675 /nfs/dbraw/zinc/90/66/75/575906675.db2.gz YKYCNVUSBQLRIS-ZIAGYGMSSA-N 2 0 295.471 1.977 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000764504234 575916672 /nfs/dbraw/zinc/91/66/72/575916672.db2.gz AMXQTAORHOVECV-UHFFFAOYSA-N 2 0 281.444 1.683 20 30 CDEDRP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000981367907 612957301 /nfs/dbraw/zinc/95/73/01/612957301.db2.gz PKAYHDVEZVREGA-HZPDHXFCSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000981194695 612971752 /nfs/dbraw/zinc/97/17/52/612971752.db2.gz MODCNFDIANLHCI-LSDHHAIUSA-N 2 0 289.423 1.265 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980485668 613091353 /nfs/dbraw/zinc/09/13/53/613091353.db2.gz KSZDYUVQSOZGDO-JKSUJKDBSA-N 2 0 291.439 1.273 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971544050 613289936 /nfs/dbraw/zinc/28/99/36/613289936.db2.gz WDMURQSUABKVAS-JKSUJKDBSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000981960902 613309938 /nfs/dbraw/zinc/30/99/38/613309938.db2.gz ZUCQPEAAFBMCPD-HUUCEWRRSA-N 2 0 279.428 1.295 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939544547 613349857 /nfs/dbraw/zinc/34/98/57/613349857.db2.gz KLSSCROOHJETDU-ZIAGYGMSSA-N 2 0 277.412 1.095 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981526992 613384028 /nfs/dbraw/zinc/38/40/28/613384028.db2.gz CLJCGZOSJVKVRJ-ZIAGYGMSSA-N 2 0 299.846 1.852 20 30 CDEDRP C=CCC[NH+]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977455007 613553957 /nfs/dbraw/zinc/55/39/57/613553957.db2.gz QSHLCHRONINCLJ-CABCVRRESA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977450513 613608552 /nfs/dbraw/zinc/60/85/52/613608552.db2.gz FQAZAVFOMLFMOV-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000972734365 613613070 /nfs/dbraw/zinc/61/30/70/613613070.db2.gz XPYYUTBFUYWQGU-UONOGXRCSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000971674519 613626306 /nfs/dbraw/zinc/62/63/06/613626306.db2.gz UPVOAVGXYQVRLZ-ZDUSSCGKSA-N 2 0 265.401 1.189 20 30 CDEDRP C=CC[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000948775333 613704018 /nfs/dbraw/zinc/70/40/18/613704018.db2.gz GEKTYDANRIHGPT-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968188153 613733172 /nfs/dbraw/zinc/73/31/72/613733172.db2.gz BJZWQSSHQRKFIB-UKRRQHHQSA-N 2 0 279.428 1.341 20 30 CDEDRP C#CCOCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000851925745 617732723 /nfs/dbraw/zinc/73/27/23/617732723.db2.gz AAFHMMSLGVFHFB-HUUCEWRRSA-N 2 0 264.413 1.879 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911880104 629606829 /nfs/dbraw/zinc/60/68/29/629606829.db2.gz RDIKGXJINNUIEL-GJZGRUSLSA-N 2 0 298.475 1.166 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000912807476 630219511 /nfs/dbraw/zinc/21/95/11/630219511.db2.gz LAQMUJSIDOECLX-UKRRQHHQSA-N 2 0 281.444 1.683 20 30 CDEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157702218 1162307546 /nfs/dbraw/zinc/30/75/46/1162307546.db2.gz OOZGLTHEVHZFJF-HZPDHXFCSA-N 2 0 291.439 1.417 20 30 CDEDRP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cn1ccnc1 ZINC001752157400 1159456385 /nfs/dbraw/zinc/45/63/85/1159456385.db2.gz PTGCZBFBWOONCL-CABCVRRESA-N 2 0 288.395 1.266 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995825905 1161312453 /nfs/dbraw/zinc/31/24/53/1161312453.db2.gz UDNOFTIKCUFITI-HUUCEWRRSA-N 2 0 291.439 1.341 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000999623071 1161419774 /nfs/dbraw/zinc/41/97/74/1161419774.db2.gz VEEHRXOZBVFGAT-CQSZACIVSA-N 2 0 282.347 1.162 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001113686383 1162253559 /nfs/dbraw/zinc/25/35/59/1162253559.db2.gz BFYFBEIXNZYBNR-UHFFFAOYSA-N 2 0 267.417 1.437 20 30 CDEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134765998 1164100748 /nfs/dbraw/zinc/10/07/48/1164100748.db2.gz CEVGWSIVFZZDAF-HNNXBMFYSA-N 2 0 297.443 1.158 20 30 CDEDRP C=CCOCC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001135474659 1164144475 /nfs/dbraw/zinc/14/44/75/1164144475.db2.gz WRKGBFJCRUBSKK-HNNXBMFYSA-N 2 0 299.459 1.261 20 30 CDEDRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(OCC#N)cc1 ZINC000873251771 1165531188 /nfs/dbraw/zinc/53/11/88/1165531188.db2.gz OARCDCKKFDJPNN-SGMGOOAPSA-N 2 0 259.353 1.977 20 30 CDEDRP C#CCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC001574735729 1171000850 /nfs/dbraw/zinc/00/08/50/1171000850.db2.gz MYVWMWDIXZRAPU-HIFRSBDPSA-N 2 0 258.365 1.644 20 30 CDEDRP N#Cc1cccc([C@@H](O)C[NH+]2CCC3(C[NH2+]C3)CC2)c1 ZINC001580075714 1172344357 /nfs/dbraw/zinc/34/43/57/1172344357.db2.gz GCZKSSGMUOEOQI-HNNXBMFYSA-N 2 0 271.364 1.277 20 30 CDEDRP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001668977997 1173487308 /nfs/dbraw/zinc/48/73/08/1173487308.db2.gz ILRKCCQDMPWOJT-ZRUQZJFASA-N 2 0 265.401 1.309 20 30 CDEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCC1 ZINC001673180049 1173833445 /nfs/dbraw/zinc/83/34/45/1173833445.db2.gz IWXDTKLGVHRZRO-CYBMUJFWSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001732090714 1182758603 /nfs/dbraw/zinc/75/86/03/1182758603.db2.gz SKENFBGEXIZNCZ-ZIAGYGMSSA-N 2 0 290.411 1.745 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001752774055 1184907579 /nfs/dbraw/zinc/90/75/79/1184907579.db2.gz IBVVTPHHIQVKDX-KFWWJZLASA-N 2 0 279.428 1.674 20 30 CDEDRP C#CC[NH2+]C1CCC(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001752854121 1184933934 /nfs/dbraw/zinc/93/39/34/1184933934.db2.gz SSRYOQVXPDSIPJ-GPANFISMSA-N 2 0 293.455 1.757 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001753638068 1185281575 /nfs/dbraw/zinc/28/15/75/1185281575.db2.gz PBFMPVIHZLLQTB-AWEZNQCLSA-N 2 0 279.428 1.390 20 30 CDEDRP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001753868475 1185375025 /nfs/dbraw/zinc/37/50/25/1185375025.db2.gz JHHKIKUWPPROGQ-LSDHHAIUSA-N 2 0 281.444 1.683 20 30 CDEDRP C=CCC[NH2+]CCN(CC)C(=O)C[NH+]1CCCC1 ZINC001754081698 1185452074 /nfs/dbraw/zinc/45/20/74/1185452074.db2.gz IHPNHCVYTNPWQZ-UHFFFAOYSA-N 2 0 253.390 1.096 20 30 CDEDRP C=CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001754126629 1185476883 /nfs/dbraw/zinc/47/68/83/1185476883.db2.gz GXWAPKLBXQQPNG-VBROQKIQSA-N 2 0 265.401 1.309 20 30 CDEDRP C=CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001754126626 1185477150 /nfs/dbraw/zinc/47/71/50/1185477150.db2.gz GXWAPKLBXQQPNG-GEXIGZQTSA-N 2 0 265.401 1.309 20 30 CDEDRP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001754179627 1185495514 /nfs/dbraw/zinc/49/55/14/1185495514.db2.gz LUWOOUKXQPMNGS-PTZVLDCSSA-N 2 0 291.439 1.535 20 30 CDEDRP C#CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001754558345 1185666249 /nfs/dbraw/zinc/66/62/49/1185666249.db2.gz QKXXFKXABGUYLW-KRWDZBQOSA-N 2 0 291.439 1.276 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001754617858 1185686361 /nfs/dbraw/zinc/68/63/61/1185686361.db2.gz LFMFASLCPXYAJR-STQMWFEESA-N 2 0 253.390 1.093 20 30 CDEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001754806114 1185735938 /nfs/dbraw/zinc/73/59/38/1185735938.db2.gz XEUHTARSFNLVCK-LSDHHAIUSA-N 2 0 279.428 1.178 20 30 CDEDRP CC#CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001755123673 1185823259 /nfs/dbraw/zinc/82/32/59/1185823259.db2.gz SZYHIGVZGZMUDO-GJZGRUSLSA-N 2 0 279.428 1.178 20 30 CDEDRP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001755304249 1185905207 /nfs/dbraw/zinc/90/52/07/1185905207.db2.gz WERRVEAAIKNDNF-QLFBSQMISA-N 2 0 279.428 1.177 20 30 CDEDRP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001755476950 1185962338 /nfs/dbraw/zinc/96/23/38/1185962338.db2.gz CLDRXDFNFYCFRJ-VGWMRTNUSA-N 2 0 293.455 1.777 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001755724779 1186048414 /nfs/dbraw/zinc/04/84/14/1186048414.db2.gz XZJJQAAOCSIVBS-QWHCGFSZSA-N 2 0 253.390 1.093 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133856579 1163933475 /nfs/dbraw/zinc/93/34/75/1163933475.db2.gz JXDXTLLJSYWPFK-HNNXBMFYSA-N 2 0 285.407 1.481 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134766051 1164101443 /nfs/dbraw/zinc/10/14/43/1164101443.db2.gz CRZQOOCCJWJGJG-AWEZNQCLSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC001340296944 962865673 /nfs/dbraw/zinc/86/56/73/962865673.db2.gz LHFSWCAENJPISG-OLZOCXBDSA-N 2 0 253.390 1.400 20 30 CDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000876723827 783655997 /nfs/dbraw/zinc/65/59/97/783655997.db2.gz XYTNQGXXNSRYML-UPJWGTAASA-N 2 0 287.835 1.835 20 30 CDEDRP C#CCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000828519133 783664952 /nfs/dbraw/zinc/66/49/52/783664952.db2.gz GVQOCDVFRLOSQM-QGZVFWFLSA-N 2 0 277.456 1.890 20 30 CDEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034492354 783893201 /nfs/dbraw/zinc/89/32/01/783893201.db2.gz NETYMHJXEXMTJC-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000890068101 784047141 /nfs/dbraw/zinc/04/71/41/784047141.db2.gz FMRNXIBFKRCZEP-UHFFFAOYSA-N 2 0 267.417 1.342 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001014635136 784067431 /nfs/dbraw/zinc/06/74/31/784067431.db2.gz WJCXQKCAYMKGAU-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001825658 784255035 /nfs/dbraw/zinc/25/50/35/784255035.db2.gz NDUSRHHRKNYZAI-GOEBONIOSA-N 2 0 293.455 1.588 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001008554599 784417584 /nfs/dbraw/zinc/41/75/84/784417584.db2.gz YNQNKQCTQVXCRO-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)Cn2cncc2C)C1 ZINC001007956847 784480490 /nfs/dbraw/zinc/48/04/90/784480490.db2.gz WVMHDONPDNNFJD-AWEZNQCLSA-N 2 0 276.384 1.348 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001052254733 784503199 /nfs/dbraw/zinc/50/31/99/784503199.db2.gz OSEWJROJOWEDGE-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001023761570 784651798 /nfs/dbraw/zinc/65/17/98/784651798.db2.gz CRUOQPYVYPPGRJ-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP COc1cccc(NC(=[NH2+])NCC2CC[NH+](C)CC2)c1 ZINC000303900680 784651948 /nfs/dbraw/zinc/65/19/48/784651948.db2.gz WVYDREZIRNAXIS-UHFFFAOYSA-N 2 0 276.384 1.764 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996463531 784655630 /nfs/dbraw/zinc/65/56/30/784655630.db2.gz HLJFRJZJYNCOQC-OAHLLOKOSA-N 2 0 277.412 1.073 20 30 CDEDRP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001045557480 784707047 /nfs/dbraw/zinc/70/70/47/784707047.db2.gz MCGMIUVHYFGXLE-GJZGRUSLSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001045444476 784723374 /nfs/dbraw/zinc/72/33/74/784723374.db2.gz COPDIPRUBOLZFR-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033834350 784784552 /nfs/dbraw/zinc/78/45/52/784784552.db2.gz OZXYIAYERQSCOO-BZUAXINKSA-N 2 0 291.439 1.273 20 30 CDEDRP CCCNC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000303884144 784832547 /nfs/dbraw/zinc/83/25/47/784832547.db2.gz MRAOIQKMTNCKMR-LBPRGKRZSA-N 2 0 254.422 1.811 20 30 CDEDRP CCC(CC)[C@H](CNC(=[NH2+])N(C)C1CC1)[NH+](C)C ZINC000305800111 784882435 /nfs/dbraw/zinc/88/24/35/784882435.db2.gz CSUMQIZUSDTRSB-ZDUSSCGKSA-N 2 0 254.422 1.762 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1c(C)cc(OC)nc1C ZINC000883131137 785048716 /nfs/dbraw/zinc/04/87/16/785048716.db2.gz IZZDLEJYFITTOL-UHFFFAOYSA-N 2 0 275.396 1.752 20 30 CDEDRP C=C(C)C[C@H](CO)[NH2+]Cc1ncc(CN(C)C)s1 ZINC000883400423 785210869 /nfs/dbraw/zinc/21/08/69/785210869.db2.gz MEBDSWISXOQILJ-LLVKDONJSA-N 2 0 269.414 1.621 20 30 CDEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001041141707 785244351 /nfs/dbraw/zinc/24/43/51/785244351.db2.gz PSEZPTSGDWWAKZ-GDBMZVCRSA-N 2 0 277.412 1.191 20 30 CDEDRP COc1ccc(NC(=[NH2+])NC[C@@H](C2CC2)[NH+](C)C)cc1 ZINC000104175735 785305472 /nfs/dbraw/zinc/30/54/72/785305472.db2.gz UNIIAZKQXDXUFB-AWEZNQCLSA-N 2 0 276.384 1.762 20 30 CDEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001017639048 785678598 /nfs/dbraw/zinc/67/85/98/785678598.db2.gz KHSYCNRHFPXVEV-XHSDSOJGSA-N 2 0 293.455 1.824 20 30 CDEDRP C#CCC1([NH2+]CCC[NH+](CC)CC)CCOCC1 ZINC000887122105 785829836 /nfs/dbraw/zinc/82/98/36/785829836.db2.gz LBKVNWVRFPENNO-UHFFFAOYSA-N 2 0 252.402 1.880 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]C(C)C)C[C@@H]2C)CC1 ZINC000989828572 785830107 /nfs/dbraw/zinc/83/01/07/785830107.db2.gz FYMABBHMYBHQPZ-GOEBONIOSA-N 2 0 291.439 1.319 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015273670 785848333 /nfs/dbraw/zinc/84/83/33/785848333.db2.gz BCCSSZHXEUXHKE-ZDUSSCGKSA-N 2 0 270.336 1.324 20 30 CDEDRP CCNC(NC[C@@H](C)C[NH+]1CCCCC1)=[NH+]CC ZINC000066243689 786018074 /nfs/dbraw/zinc/01/80/74/786018074.db2.gz VAZXQJMHNNNLBN-CYBMUJFWSA-N 2 0 254.422 1.683 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052870624 786226102 /nfs/dbraw/zinc/22/61/02/786226102.db2.gz VZZPTCSJVJYPPR-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000834489497 786301899 /nfs/dbraw/zinc/30/18/99/786301899.db2.gz MZWFDQYMMYNHLA-HOTGVXAUSA-N 2 0 298.390 1.124 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999167606 786315849 /nfs/dbraw/zinc/31/58/49/786315849.db2.gz BILFTMIPSBUXMF-HUUCEWRRSA-N 2 0 277.412 1.095 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001036054550 786330397 /nfs/dbraw/zinc/33/03/97/786330397.db2.gz LRXJKWAUQGHEEW-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP COc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1C#N ZINC000817916013 786403650 /nfs/dbraw/zinc/40/36/50/786403650.db2.gz UATJVCZQCLEDFB-BYCMXARLSA-N 2 0 289.379 1.409 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001000933280 786431302 /nfs/dbraw/zinc/43/13/02/786431302.db2.gz INHZFBNCKVUBON-AWEZNQCLSA-N 2 0 265.401 1.239 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001072752232 786437998 /nfs/dbraw/zinc/43/79/98/786437998.db2.gz AJQQBMPFEMYPDI-LSDHHAIUSA-N 2 0 291.439 1.437 20 30 CDEDRP COc1ccccc1CNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1 ZINC000178564260 786442718 /nfs/dbraw/zinc/44/27/18/786442718.db2.gz OBVUCOMSPZNOBQ-ZDUSSCGKSA-N 2 0 290.411 1.441 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001032801133 786778428 /nfs/dbraw/zinc/77/84/28/786778428.db2.gz LWAQRGHSXAGNIO-HOTGVXAUSA-N 2 0 291.439 1.724 20 30 CDEDRP C#CCOCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000851880741 786835848 /nfs/dbraw/zinc/83/58/48/786835848.db2.gz ULUPHUQUPLAYRK-UHFFFAOYSA-N 2 0 293.455 1.127 20 30 CDEDRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000219305384 786903439 /nfs/dbraw/zinc/90/34/39/786903439.db2.gz XJWFSTMZTUBSNE-CQSZACIVSA-N 2 0 291.395 1.818 20 30 CDEDRP C[C@H](CC(C)(C)C#N)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000925216165 787066755 /nfs/dbraw/zinc/06/67/55/787066755.db2.gz RITCCUNHZQSJLU-CQSZACIVSA-N 2 0 280.460 1.930 20 30 CDEDRP C=CCN(CC(=O)OCC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841006088 787230799 /nfs/dbraw/zinc/23/07/99/787230799.db2.gz AHIWBJUHZLNDQC-QWHCGFSZSA-N 2 0 254.374 1.426 20 30 CDEDRP CC#CCN1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001014448737 787505458 /nfs/dbraw/zinc/50/54/58/787505458.db2.gz XTRHARSFISXKBY-OAHLLOKOSA-N 2 0 291.439 1.465 20 30 CDEDRP C[C@@H](CNC(=[NH2+])N1CCSCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000104168023 787786220 /nfs/dbraw/zinc/78/62/20/787786220.db2.gz LQIWCIHUWSAHRW-STQMWFEESA-N 2 0 284.473 1.470 20 30 CDEDRP C=C(C)C[NH+](C)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000985468609 787805363 /nfs/dbraw/zinc/80/53/63/787805363.db2.gz YDKNPJUJNQANLE-UHFFFAOYSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001054863718 787881153 /nfs/dbraw/zinc/88/11/53/787881153.db2.gz WDESTBAZKBCZNE-CJNGLKHVSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000305234159 787941552 /nfs/dbraw/zinc/94/15/52/787941552.db2.gz ZXUSPMPOCRTWPZ-ZDUSSCGKSA-N 2 0 252.406 1.445 20 30 CDEDRP C#CCC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001034398974 787950758 /nfs/dbraw/zinc/95/07/58/787950758.db2.gz QBQZKGCKNNNBIH-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046566205 788006808 /nfs/dbraw/zinc/00/68/08/788006808.db2.gz YYMSJWWZXCGFJP-RDJZCZTQSA-N 2 0 291.439 1.322 20 30 CDEDRP CCC(CC)[C@@H](CNC(=[NH2+])N(C)C)[NH+]1CCCC1 ZINC000170910288 788020260 /nfs/dbraw/zinc/02/02/60/788020260.db2.gz UQMMWSVJWORPDL-CYBMUJFWSA-N 2 0 254.422 1.763 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC000986956097 788072260 /nfs/dbraw/zinc/07/22/60/788072260.db2.gz JOXJYCBMPHDBTK-UONOGXRCSA-N 2 0 279.428 1.483 20 30 CDEDRP CCNC(NC[C@H]1CCC[N@H+](CC2CC2)C1)=[NH+]CC ZINC000853013524 788097325 /nfs/dbraw/zinc/09/73/25/788097325.db2.gz XURNFJXQGADPOG-CQSZACIVSA-N 2 0 266.433 1.683 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]12 ZINC001026348025 788170475 /nfs/dbraw/zinc/17/04/75/788170475.db2.gz CGBKUAFBKXWBBJ-BZUAXINKSA-N 2 0 291.439 1.341 20 30 CDEDRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])NCCC(C)C)CC1 ZINC000303897325 788274677 /nfs/dbraw/zinc/27/46/77/788274677.db2.gz UXNAWVOWXYEYPD-HNNXBMFYSA-N 2 0 297.491 1.210 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031668826 788328141 /nfs/dbraw/zinc/32/81/41/788328141.db2.gz PSSMHHLEEMIYHT-JKSUJKDBSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000996663650 788339731 /nfs/dbraw/zinc/33/97/31/788339731.db2.gz IGFWIMUTIKSWRF-UHFFFAOYSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001016544147 788357843 /nfs/dbraw/zinc/35/78/43/788357843.db2.gz UAPRMZSMMKBQOZ-GJZGRUSLSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001038630468 788503552 /nfs/dbraw/zinc/50/35/52/788503552.db2.gz NWKDRFBDEQYIRG-KKUMJFAQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034130526 788804276 /nfs/dbraw/zinc/80/42/76/788804276.db2.gz IEDQRAAAJIXQQS-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001036055970 788820974 /nfs/dbraw/zinc/82/09/74/788820974.db2.gz SECJLUQZIFSPMW-KGLIPLIRSA-N 2 0 279.428 1.483 20 30 CDEDRP CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033199525 788839198 /nfs/dbraw/zinc/83/91/98/788839198.db2.gz UMFJMYUKMXQPNU-CABCVRRESA-N 2 0 277.412 1.027 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000996993897 788871407 /nfs/dbraw/zinc/87/14/07/788871407.db2.gz GWBPRZQOFNBGMW-LBPRGKRZSA-N 2 0 299.846 1.661 20 30 CDEDRP C=CCC[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034490800 789337137 /nfs/dbraw/zinc/33/71/37/789337137.db2.gz NMYBAJBTJDLFQS-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000303877660 789357359 /nfs/dbraw/zinc/35/73/59/789357359.db2.gz FMMQANPYXMVQOP-HUUCEWRRSA-N 2 0 298.475 1.682 20 30 CDEDRP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C[C@H](O)c1ccc(C#N)cc1 ZINC000931724935 789417887 /nfs/dbraw/zinc/41/78/87/789417887.db2.gz MDYHLFKOYQDTRL-BBWFWOEESA-N 2 0 285.391 1.760 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC001035794554 789704905 /nfs/dbraw/zinc/70/49/05/789704905.db2.gz FVUAUTNSADFIIA-CABCVRRESA-N 2 0 291.439 1.295 20 30 CDEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000996981462 789770620 /nfs/dbraw/zinc/77/06/20/789770620.db2.gz VRNYRDKNBFSVEQ-GDBMZVCRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052938163 789774420 /nfs/dbraw/zinc/77/44/20/789774420.db2.gz SAKJBBBACRGYFY-OAHLLOKOSA-N 2 0 279.428 1.629 20 30 CDEDRP CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001024367095 789813703 /nfs/dbraw/zinc/81/37/03/789813703.db2.gz XETMPQLFSNCNIA-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)C1 ZINC000303890865 789830916 /nfs/dbraw/zinc/83/09/16/789830916.db2.gz QGCLHESWZNYRFX-KGLIPLIRSA-N 2 0 266.433 1.765 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)C1CCC(C)(C#N)CC1 ZINC001173596481 912642408 /nfs/dbraw/zinc/64/24/08/912642408.db2.gz YCOORWXNSCPZJH-UHFFFAOYSA-N 2 0 280.460 1.884 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001203349835 913174576 /nfs/dbraw/zinc/17/45/76/913174576.db2.gz YXDXNUBFJYEPBQ-UHFFFAOYSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001104362809 896038880 /nfs/dbraw/zinc/03/88/80/896038880.db2.gz KZRQMDGCDUPRGD-HUUCEWRRSA-N 2 0 295.471 1.977 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001022720810 896816587 /nfs/dbraw/zinc/81/65/87/896816587.db2.gz STNRVBHVSWWEOH-FTYKPCCVSA-N 2 0 285.819 1.173 20 30 CDEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176565564 914181271 /nfs/dbraw/zinc/18/12/71/914181271.db2.gz WQSAKEWYFADIAK-KBPBESRZSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001106779608 914291701 /nfs/dbraw/zinc/29/17/01/914291701.db2.gz SMRQIQSRESACCO-ZIAGYGMSSA-N 2 0 267.417 1.198 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001104932673 899680618 /nfs/dbraw/zinc/68/06/18/899680618.db2.gz GUKUPDBIJNLNNW-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001206287802 914375027 /nfs/dbraw/zinc/37/50/27/914375027.db2.gz JKJLMNGULHVGCE-UHFFFAOYSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001028093929 901319624 /nfs/dbraw/zinc/31/96/24/901319624.db2.gz RSEIPUYUFGKWLG-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001270866932 905233438 /nfs/dbraw/zinc/23/34/38/905233438.db2.gz KCBDOUMQNLYLQS-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168021106 905789085 /nfs/dbraw/zinc/78/90/85/905789085.db2.gz AADTUXNTXPSLKK-KBPBESRZSA-N 2 0 265.401 1.285 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001205415900 921240084 /nfs/dbraw/zinc/24/00/84/921240084.db2.gz QEJSFCMXDCTVAP-HNNXBMFYSA-N 2 0 299.434 1.681 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001088383765 907081851 /nfs/dbraw/zinc/08/18/51/907081851.db2.gz MHMUBMYOWZKIEZ-CABCVRRESA-N 2 0 279.428 1.321 20 30 CDEDRP C=CCN1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168322999 909031130 /nfs/dbraw/zinc/03/11/30/909031130.db2.gz MDRUNSQKRRAFDP-UHFFFAOYSA-N 2 0 251.418 1.663 20 30 CDEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092936303 909555288 /nfs/dbraw/zinc/55/52/88/909555288.db2.gz AMSBVCDABAEMMG-GDBMZVCRSA-N 2 0 291.439 1.036 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180265595 916234415 /nfs/dbraw/zinc/23/44/15/916234415.db2.gz WSGINZWESAXXFU-OAHLLOKOSA-N 2 0 279.428 1.228 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127689931 917336149 /nfs/dbraw/zinc/33/61/49/917336149.db2.gz CKPNRRSHYFWGTG-NWDGAFQWSA-N 2 0 273.808 1.175 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001183044545 918269956 /nfs/dbraw/zinc/26/99/56/918269956.db2.gz JUGUQTBYBIMCGR-HUUCEWRRSA-N 2 0 277.412 1.191 20 30 CDEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001183510348 918513079 /nfs/dbraw/zinc/51/30/79/918513079.db2.gz WYCRSKBDFMWJFX-GDBMZVCRSA-N 2 0 279.428 1.034 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001184555898 919192927 /nfs/dbraw/zinc/19/29/27/919192927.db2.gz NEGIDNUKCRAOCJ-CABCVRRESA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001185090866 919398396 /nfs/dbraw/zinc/39/83/96/919398396.db2.gz PHYYFPVDQISPJU-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001185514857 919639942 /nfs/dbraw/zinc/63/99/42/919639942.db2.gz BJYKOJAJJUNDFI-HOTGVXAUSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187107238 920341217 /nfs/dbraw/zinc/34/12/17/920341217.db2.gz YFHIEEAFGKJJID-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001078782437 920462236 /nfs/dbraw/zinc/46/22/36/920462236.db2.gz AAAXLZQXWDXLGG-KBPBESRZSA-N 2 0 289.423 1.285 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190444622 921997006 /nfs/dbraw/zinc/99/70/06/921997006.db2.gz RPXCPLVLMNMVIR-UONOGXRCSA-N 2 0 285.407 1.385 20 30 CDEDRP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099203098 936782735 /nfs/dbraw/zinc/78/27/35/936782735.db2.gz JGOIHXSQOUIEAB-CQSZACIVSA-N 2 0 281.444 1.731 20 30 CDEDRP C[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)CC[C@@H]1C[NH3+] ZINC001205626813 923562736 /nfs/dbraw/zinc/56/27/36/923562736.db2.gz JMEAQDRWFCQLKR-GXTWGEPZSA-N 2 0 258.369 1.760 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001080441282 924568582 /nfs/dbraw/zinc/56/85/82/924568582.db2.gz HQIAVYWLSAYKNL-HZSPNIEDSA-N 2 0 265.401 1.093 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001080455940 924575136 /nfs/dbraw/zinc/57/51/36/924575136.db2.gz DVUQSADHOKVQOI-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001100896743 936943300 /nfs/dbraw/zinc/94/33/00/936943300.db2.gz ILLPVXWDJGEHBH-UHFFFAOYSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CCC[N@H+]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001196024192 924789021 /nfs/dbraw/zinc/78/90/21/924789021.db2.gz FBGUZKLSFPZQDI-HNNXBMFYSA-N 2 0 297.418 1.224 20 30 CDEDRP C=CCCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001197158338 925078667 /nfs/dbraw/zinc/07/86/67/925078667.db2.gz MVXWMXNOVAOGTQ-CVEARBPZSA-N 2 0 293.455 1.685 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001085422784 925942417 /nfs/dbraw/zinc/94/24/17/925942417.db2.gz HBCQQLCTTCKNTF-ZIAGYGMSSA-N 2 0 265.401 1.285 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102088490 937041140 /nfs/dbraw/zinc/04/11/40/937041140.db2.gz XZUMEEWNJSLCGN-RBSFLKMASA-N 2 0 281.444 1.587 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102318935 937051900 /nfs/dbraw/zinc/05/19/00/937051900.db2.gz QZOWIVTZVVMVHE-ZIAGYGMSSA-N 2 0 267.417 1.198 20 30 CDEDRP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001085629568 926229443 /nfs/dbraw/zinc/22/94/43/926229443.db2.gz XHXVNTHZYIBLJI-JKSUJKDBSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102577944 937065657 /nfs/dbraw/zinc/06/56/57/937065657.db2.gz DSTXPXVBNLGDKW-BZUAXINKSA-N 2 0 293.455 1.588 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCCO1 ZINC001201410277 926297719 /nfs/dbraw/zinc/29/77/19/926297719.db2.gz FJNWTFXLQBZPGQ-CABCVRRESA-N 2 0 297.443 1.110 20 30 CDEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](C)C)C2 ZINC001108749536 928629108 /nfs/dbraw/zinc/62/91/08/928629108.db2.gz DHFUMHUNUDCXTG-XHSDSOJGSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001109360947 928892463 /nfs/dbraw/zinc/89/24/63/928892463.db2.gz HVHOXCOOJQBEDI-QPSCCSFWSA-N 2 0 295.402 1.021 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109406314 928923072 /nfs/dbraw/zinc/92/30/72/928923072.db2.gz WLEDCWIODNFOJU-ILXRZTDVSA-N 2 0 277.412 1.378 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134993087 929990091 /nfs/dbraw/zinc/99/00/91/929990091.db2.gz DZIYZDSZYIJVTE-CHWSQXEVSA-N 2 0 284.363 1.454 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994115 929991083 /nfs/dbraw/zinc/99/10/83/929991083.db2.gz OJEWRRABFDQMDD-KBPBESRZSA-N 2 0 298.390 1.844 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001170784173 930004268 /nfs/dbraw/zinc/00/42/68/930004268.db2.gz FVVWECVGJAZFQM-INIZCTEOSA-N 2 0 293.455 1.760 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135379586 930178174 /nfs/dbraw/zinc/17/81/74/930178174.db2.gz RHYZFKARSIGVQU-ZIAGYGMSSA-N 2 0 279.428 1.224 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CCCCC1 ZINC001115730537 937416380 /nfs/dbraw/zinc/41/63/80/937416380.db2.gz MSBZGOFXKVCNQS-HUUCEWRRSA-N 2 0 291.439 1.226 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001170877324 930599873 /nfs/dbraw/zinc/59/98/73/930599873.db2.gz BDVKYQCHTJTWLV-OWCLPIDISA-N 2 0 293.455 1.615 20 30 CDEDRP N#Cc1c2ccccc2cnc1N[C@H]([NH3+])CCC[NH3+] ZINC001170896903 930691709 /nfs/dbraw/zinc/69/17/09/930691709.db2.gz BJNUZZHSISERRT-ZDUSSCGKSA-N 2 0 255.325 1.542 20 30 CDEDRP CC[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001275086242 931656925 /nfs/dbraw/zinc/65/69/25/931656925.db2.gz IQXIOXFQFPVEKU-UHFFFAOYSA-N 2 0 272.396 1.814 20 30 CDEDRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C1 ZINC001275290294 931725244 /nfs/dbraw/zinc/72/52/44/931725244.db2.gz FCFYRFSKCKWVHR-ZWKOTPCHSA-N 2 0 298.434 1.626 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171254542 932144650 /nfs/dbraw/zinc/14/46/50/932144650.db2.gz TZWOEUGHIIBSST-HNNXBMFYSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154851055 937596293 /nfs/dbraw/zinc/59/62/93/937596293.db2.gz QQTNCFCUNBEXTK-ZNMIVQPWSA-N 2 0 281.444 1.729 20 30 CDEDRP C#CC[NH2+]CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001147449102 932517168 /nfs/dbraw/zinc/51/71/68/932517168.db2.gz IVSFGEHPGUQJFY-HNNXBMFYSA-N 2 0 273.380 1.018 20 30 CDEDRP C=CCC[N@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174588 932662027 /nfs/dbraw/zinc/66/20/27/932662027.db2.gz QJXZMURMVAZCJO-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155015647 937621185 /nfs/dbraw/zinc/62/11/85/937621185.db2.gz APJRTSVGUJCFQM-CQSZACIVSA-N 2 0 281.444 1.731 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155238000 937652220 /nfs/dbraw/zinc/65/22/20/937652220.db2.gz UANUMONGBRMHKR-LSDHHAIUSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155791345 937674739 /nfs/dbraw/zinc/67/47/39/937674739.db2.gz WIYYEJWHERTZQJ-ZIAGYGMSSA-N 2 0 267.417 1.531 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001120016285 937774118 /nfs/dbraw/zinc/77/41/18/937774118.db2.gz MRRLABIJALPULU-UHFFFAOYSA-N 2 0 289.423 1.124 20 30 CDEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC ZINC001114826025 934996785 /nfs/dbraw/zinc/99/67/85/934996785.db2.gz BLMKQQUEHVAHMG-LJISPDSOSA-N 2 0 279.428 1.339 20 30 CDEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001114841442 935013870 /nfs/dbraw/zinc/01/38/70/935013870.db2.gz WIPXMNGJTQCCDX-FOLVSLTJSA-N 2 0 291.439 1.034 20 30 CDEDRP C=CCSCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000303990378 935049099 /nfs/dbraw/zinc/04/90/99/935049099.db2.gz YLHMTNYYZMPSHB-GFCCVEGCSA-N 2 0 270.446 1.294 20 30 CDEDRP C[C@@H](CNC(=[NH2+])N(C)C1CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000305807911 935218164 /nfs/dbraw/zinc/21/81/64/935218164.db2.gz HJSIEGRVWZAYIO-RYUDHWBXSA-N 2 0 252.406 1.516 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001015703050 935581237 /nfs/dbraw/zinc/58/12/37/935581237.db2.gz ZBDQUHCSOGTHED-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001121703589 937880808 /nfs/dbraw/zinc/88/08/08/937880808.db2.gz YZNFFJDVWUCHML-UHFFFAOYSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC001122026865 937900365 /nfs/dbraw/zinc/90/03/65/937900365.db2.gz GVROBPWCIYPCLP-HUUCEWRRSA-N 2 0 297.443 1.239 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC001122127252 937907241 /nfs/dbraw/zinc/90/72/41/937907241.db2.gz PSVHCAFOCVOQNP-ZDUSSCGKSA-N 2 0 253.390 1.176 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156373873 938359891 /nfs/dbraw/zinc/35/98/91/938359891.db2.gz CNJFOSWWPFOMAP-CABCVRRESA-N 2 0 281.444 1.731 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890467 938429587 /nfs/dbraw/zinc/42/95/87/938429587.db2.gz LZKDVAWFGBIADY-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890462 938429632 /nfs/dbraw/zinc/42/96/32/938429632.db2.gz LWUADVXQVJAPKZ-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160835156 938831222 /nfs/dbraw/zinc/83/12/22/938831222.db2.gz VWAURBFJSVTMJJ-UHFFFAOYSA-N 2 0 279.428 1.534 20 30 CDEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001161207799 938879418 /nfs/dbraw/zinc/87/94/18/938879418.db2.gz WQQLEOPYZBHYSF-GDBMZVCRSA-N 2 0 291.439 1.509 20 30 CDEDRP C#CCC[N@H+]1CC=C(CCNC(=O)Cc2c[nH]cn2)CC1 ZINC001161335649 938891582 /nfs/dbraw/zinc/89/15/82/938891582.db2.gz CPPJXLSQDMCVDP-UHFFFAOYSA-N 2 0 286.379 1.114 20 30 CDEDRP C=CC[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001161645532 938916902 /nfs/dbraw/zinc/91/69/02/938916902.db2.gz KJDALFUYVRMABV-UHFFFAOYSA-N 2 0 279.428 1.653 20 30 CDEDRP N#CCc1cc(NC[C@@]2(F)CCCC[NH2+]C2)cc[nH+]1 ZINC001162586309 939094647 /nfs/dbraw/zinc/09/46/47/939094647.db2.gz FXUSKSHKOOCQSK-CQSZACIVSA-N 2 0 262.332 1.463 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)c1occc1C[NH+](C)C ZINC001165246472 939532474 /nfs/dbraw/zinc/53/24/74/939532474.db2.gz POFOBNSJUYEJKB-UHFFFAOYSA-N 2 0 277.368 1.074 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001166863647 939645914 /nfs/dbraw/zinc/64/59/14/939645914.db2.gz NADKEXRRXFUZQZ-UHFFFAOYSA-N 2 0 279.428 1.390 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203577494 939694205 /nfs/dbraw/zinc/69/42/05/939694205.db2.gz QKIWVSCYXVLMKP-ZIAGYGMSSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203622424 939697286 /nfs/dbraw/zinc/69/72/86/939697286.db2.gz ASGQRQQLXYVPHY-GJZGRUSLSA-N 2 0 291.439 1.369 20 30 CDEDRP CC#CC[NH2+]CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001206125596 939983654 /nfs/dbraw/zinc/98/36/54/939983654.db2.gz HITNSTVXDYQOEM-UHFFFAOYSA-N 2 0 291.439 1.180 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001206246219 940005577 /nfs/dbraw/zinc/00/55/77/940005577.db2.gz SFJHDBVRCZPNNN-INIZCTEOSA-N 2 0 293.455 1.568 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001206282705 940011745 /nfs/dbraw/zinc/01/17/45/940011745.db2.gz WSLHUGNCCNMAPN-HOCLYGCPSA-N 2 0 293.455 1.588 20 30 CDEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001206512035 940050708 /nfs/dbraw/zinc/05/07/08/940050708.db2.gz GVIKJBRNKSBFIN-ILXRZTDVSA-N 2 0 250.386 1.540 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207684491 940230661 /nfs/dbraw/zinc/23/06/61/940230661.db2.gz PBTUTNJHZWAALW-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001208334372 940320263 /nfs/dbraw/zinc/32/02/63/940320263.db2.gz JAUYZZMHEUHCMG-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001209161211 940441890 /nfs/dbraw/zinc/44/18/90/940441890.db2.gz JGSSAVGOMBYPOV-PMPSAXMXSA-N 2 0 289.427 1.639 20 30 CDEDRP N#Cc1cncc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210261964 940675451 /nfs/dbraw/zinc/67/54/51/940675451.db2.gz LDFJITLHMWLXHA-UHFFFAOYSA-N 2 0 280.335 1.501 20 30 CDEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929813 940789105 /nfs/dbraw/zinc/78/91/05/940789105.db2.gz MFARYYWLKTYMPP-HUUCEWRRSA-N 2 0 297.443 1.108 20 30 CDEDRP N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000402356188 940894497 /nfs/dbraw/zinc/89/44/97/940894497.db2.gz UFEQHDBVYHBPFR-HOTGVXAUSA-N 2 0 273.380 1.795 20 30 CDEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1[nH]ccc1C#N ZINC001218656673 941253879 /nfs/dbraw/zinc/25/38/79/941253879.db2.gz ZPVHCNIAURLQML-LBPRGKRZSA-N 2 0 277.372 1.320 20 30 CDEDRP N#CCc1cccc(NC(=O)c2ccc([C@@H](N)C[NH3+])cc2)c1 ZINC001218987064 941297479 /nfs/dbraw/zinc/29/74/79/941297479.db2.gz BPQIFEDATNWPMF-INIZCTEOSA-N 2 0 294.358 1.963 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962693 941556399 /nfs/dbraw/zinc/55/63/99/941556399.db2.gz QEACUQGKJTZSLC-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228355803 942304450 /nfs/dbraw/zinc/30/44/50/942304450.db2.gz VBGYUARRHATQSQ-HUUCEWRRSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001316617323 942661116 /nfs/dbraw/zinc/66/11/16/942661116.db2.gz VCNBSGGYYGSLCI-GASCZTMLSA-N 2 0 293.455 1.921 20 30 CDEDRP CC[N@H+]1C[C@H]2CN(Cc3ccc(C#N)cc3OC)C[C@H]2C1 ZINC001231622205 942948172 /nfs/dbraw/zinc/94/81/72/942948172.db2.gz RHTWHIBUESBLDY-IYBDPMFKSA-N 2 0 285.391 1.950 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC001263092642 943741649 /nfs/dbraw/zinc/74/16/49/943741649.db2.gz ZNZJCGKEYPMQNG-LBPRGKRZSA-N 2 0 255.406 1.374 20 30 CDEDRP CCCCCCCC[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235051737 944025430 /nfs/dbraw/zinc/02/54/30/944025430.db2.gz AMEZNZUSVHNODM-OAHLLOKOSA-N 2 0 253.434 1.984 20 30 CDEDRP C=CC[NH2+]CCN1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001235791732 944276590 /nfs/dbraw/zinc/27/65/90/944276590.db2.gz CFGHDNOIMIKVKO-ROUUACIJSA-N 2 0 285.435 1.968 20 30 CDEDRP N#Cc1c2c(cnc1C1=CC[NH2+]CC1)C[NH2+]CCC2 ZINC001240465353 945857387 /nfs/dbraw/zinc/85/73/87/945857387.db2.gz FXHFDPPQJPYZGO-UHFFFAOYSA-N 2 0 254.337 1.366 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC001262570644 946721728 /nfs/dbraw/zinc/72/17/28/946721728.db2.gz AWYKFEWSTHMOQS-ZDUSSCGKSA-N 2 0 280.416 1.017 20 30 CDEDRP CC[C@H](CC#N)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001255153119 947755759 /nfs/dbraw/zinc/75/57/59/947755759.db2.gz PBPAMTKHUUXETD-CYBMUJFWSA-N 2 0 252.406 1.294 20 30 CDEDRP CCCCCCCC[C@H](O)C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001245980552 947878121 /nfs/dbraw/zinc/87/81/21/947878121.db2.gz BTUQLIFAZZHBTP-VVLHAWIVSA-N 2 0 298.471 1.922 20 30 CDEDRP C=CCOC[C@H](O)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246020630 947901112 /nfs/dbraw/zinc/90/11/12/947901112.db2.gz JAGCIWORSUYJLB-KGLIPLIRSA-N 2 0 256.390 1.001 20 30 CDEDRP N#CCC1CCC([NH2+]C2CN(C3CC[NH2+]CC3)C2)CC1 ZINC001246217902 948033590 /nfs/dbraw/zinc/03/35/90/948033590.db2.gz KUBRPTMCXNXUDL-UHFFFAOYSA-N 2 0 276.428 1.485 20 30 CDEDRP CC1(C#N)CCC([NH2+]CCCC[C@H]([NH3+])C(N)=O)CC1 ZINC001246407741 948161476 /nfs/dbraw/zinc/16/14/76/948161476.db2.gz YZRWKKJSOQQVQP-LXVYMNJGSA-N 2 0 266.389 1.031 20 30 CDEDRP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246556225 948265012 /nfs/dbraw/zinc/26/50/12/948265012.db2.gz DXMZSLOISMUMRC-RHSMWYFYSA-N 2 0 287.407 1.665 20 30 CDEDRP N#Cc1ccc(C2CCC([N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)CC2)cc1 ZINC001246583663 948313400 /nfs/dbraw/zinc/31/34/00/948313400.db2.gz KSYYFZNZUVUIPV-JYSRZZCRSA-N 2 0 299.418 1.836 20 30 CDEDRP CC1(C#N)CCC([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CC1 ZINC001246592883 948326992 /nfs/dbraw/zinc/32/69/92/948326992.db2.gz CYTGZEMLHWNJOX-UHFFFAOYSA-N 2 0 276.428 1.486 20 30 CDEDRP N#Cc1ccc2c(c1)C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246594194 948330495 /nfs/dbraw/zinc/33/04/95/948330495.db2.gz PVRUILHVAJRKMJ-MRXNPFEDSA-N 2 0 282.391 1.010 20 30 CDEDRP C=C1C[C@@H]2CC([N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)C[C@H](C1)C2 ZINC001246643863 948382602 /nfs/dbraw/zinc/38/26/02/948382602.db2.gz QPZGTCVBESZYLH-FCLJQHQZSA-N 2 0 275.440 1.759 20 30 CDEDRP N#CCCCC[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256679872 948390899 /nfs/dbraw/zinc/39/08/99/948390899.db2.gz UQNNLUHCQXSZBR-UHFFFAOYSA-N 2 0 265.401 1.913 20 30 CDEDRP C=CCC[C@H](C)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001246987600 948563968 /nfs/dbraw/zinc/56/39/68/948563968.db2.gz MRLHHZLBYGPCHZ-LSDHHAIUSA-N 2 0 253.434 1.957 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]CCC[N@@H+](C)CCCC ZINC001252482302 951343197 /nfs/dbraw/zinc/34/31/97/951343197.db2.gz KOSAJQRBBRIPKO-CQSZACIVSA-N 2 0 258.406 1.262 20 30 CDEDRP C=C[C@@H](O)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001253585711 951977238 /nfs/dbraw/zinc/97/72/38/951977238.db2.gz ZAQFIARDAKESKK-SOUVJXGZSA-N 2 0 252.402 1.872 20 30 CDEDRP C=C[C@H](O)C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC001253606641 951990475 /nfs/dbraw/zinc/99/04/75/951990475.db2.gz LSCDSJBHETYJQT-INIZCTEOSA-N 2 0 275.396 1.430 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001366485539 956867464 /nfs/dbraw/zinc/86/74/64/956867464.db2.gz IQCVQIGNXNVZOS-LBPRGKRZSA-N 2 0 287.835 1.565 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001367127129 957693350 /nfs/dbraw/zinc/69/33/50/957693350.db2.gz WPDSLTOWKZKNMY-GFCCVEGCSA-N 2 0 287.835 1.565 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CCC([NH+](CC)CC)CC1 ZINC001333986119 958747738 /nfs/dbraw/zinc/74/77/38/958747738.db2.gz ZUBAGESYMYTVJX-INIZCTEOSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CC[C@H](CCOC)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001335330181 959720032 /nfs/dbraw/zinc/72/00/32/959720032.db2.gz RFAKCOMJMYBLSR-ILXRZTDVSA-N 2 0 250.386 1.631 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001340825614 963145449 /nfs/dbraw/zinc/14/54/49/963145449.db2.gz LDYCKMHVBQGQJY-HRCADAONSA-N 2 0 287.407 1.542 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001341945210 963585716 /nfs/dbraw/zinc/58/57/16/963585716.db2.gz XTFWEAYTBVLIKA-CVEARBPZSA-N 2 0 287.407 1.843 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001440594315 964116493 /nfs/dbraw/zinc/11/64/93/964116493.db2.gz TZEBFQHGIJDCKT-YPMHNXCESA-N 2 0 299.846 1.517 20 30 CDEDRP CC(C)(C)N1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC001353330052 967904049 /nfs/dbraw/zinc/90/40/49/967904049.db2.gz REZRTJFJRVFOMV-STQMWFEESA-N 2 0 267.417 1.750 20 30 CDEDRP C#CC[NH2+]CC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001521433910 970297175 /nfs/dbraw/zinc/29/71/75/970297175.db2.gz QXIQCQBIUWRJIU-UHFFFAOYSA-N 2 0 299.418 1.033 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001379415271 975825861 /nfs/dbraw/zinc/82/58/61/975825861.db2.gz ONQYAMYBFZYLTQ-LLVKDONJSA-N 2 0 273.808 1.175 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001392076614 977214073 /nfs/dbraw/zinc/21/40/73/977214073.db2.gz VDPGDLFXQJJGKJ-LBPRGKRZSA-N 2 0 287.835 1.660 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001394512765 978188960 /nfs/dbraw/zinc/18/89/60/978188960.db2.gz QURDJTMQPLQHFX-ZDUSSCGKSA-N 2 0 299.846 1.804 20 30 CDEDRP C=CC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132266766 1163221943 /nfs/dbraw/zinc/22/19/43/1163221943.db2.gz ZWAJZYSWAPWCAM-UONOGXRCSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001574908413 1171047262 /nfs/dbraw/zinc/04/72/62/1171047262.db2.gz MXFSPYKAVMKNDT-CABCVRRESA-N 2 0 279.428 1.803 20 30 CDEDRP N#Cc1ccsc1NC(=O)CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107855543 349714613 /nfs/dbraw/zinc/71/46/13/349714613.db2.gz NALLUFZQXVEFNH-TXEJJXNPSA-N 2 0 290.392 1.100 20 30 CDEDRP O=C(NCC[NH+]1CCCCC1)N[C@H]1CCn2ccnc2C1 ZINC000330210660 362180157 /nfs/dbraw/zinc/18/01/57/362180157.db2.gz INXRQLCZUMMBAS-ZDUSSCGKSA-N 2 0 291.399 1.187 20 30 CDEDRP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000598721760 343884282 /nfs/dbraw/zinc/88/42/82/343884282.db2.gz ZIDJJHNQTFEWLL-JSGCOSHPSA-N 2 0 265.401 1.361 20 30 CDEDRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602515918 344451706 /nfs/dbraw/zinc/45/17/06/344451706.db2.gz TUTAZTZSRROHEX-GJZGRUSLSA-N 2 0 266.433 1.542 20 30 CDEDRP CC(C)[C@@H](C[NH2+]C[C@@H](C)CCC#N)N1CC[NH+](C)CC1 ZINC000602508379 344457774 /nfs/dbraw/zinc/45/77/74/344457774.db2.gz BIOXDOUTRMIRGV-JKSUJKDBSA-N 2 0 280.460 1.788 20 30 CDEDRP C[C@@H](CCC#N)C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000602654649 344517712 /nfs/dbraw/zinc/51/77/12/344517712.db2.gz ILIXMERHQMZYNB-AWEZNQCLSA-N 2 0 266.433 1.542 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000491663300 347585890 /nfs/dbraw/zinc/58/58/90/347585890.db2.gz PITSHYCJUDSENF-HNNXBMFYSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000130543769 538453955 /nfs/dbraw/zinc/45/39/55/538453955.db2.gz HUODIWZOEHGYDJ-AWEZNQCLSA-N 2 0 253.434 1.957 20 30 CDEDRP CC[NH+](CC)Cc1cccc(CNC(=[NH2+])N(C)C)c1 ZINC000170911846 365163031 /nfs/dbraw/zinc/16/30/31/365163031.db2.gz AZVINPOPKJNPMF-UHFFFAOYSA-N 2 0 262.401 1.905 20 30 CDEDRP COc1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)ccc1C#N ZINC000415027496 241522736 /nfs/dbraw/zinc/52/27/36/241522736.db2.gz AZBMOHVPKZNUHS-RISCZKNCSA-N 2 0 259.353 1.784 20 30 CDEDRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]CCC#N)CC1 ZINC000567683134 371098419 /nfs/dbraw/zinc/09/84/19/371098419.db2.gz IHLQYMPYCPEIBZ-UHFFFAOYSA-N 2 0 280.416 1.116 20 30 CDEDRP N#Cc1ccc2c(c1)[C@@H](NC[C@H](O)C[NH+]1CCCC1)CC2 ZINC000353406433 375476597 /nfs/dbraw/zinc/47/65/97/375476597.db2.gz WXACJTMEYSKPPL-RDJZCZTQSA-N 2 0 285.391 1.592 20 30 CDEDRP C[NH+]=C(NCc1ccoc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000176314866 391150484 /nfs/dbraw/zinc/15/04/84/391150484.db2.gz QEKQTTVMPBDHPF-LBPRGKRZSA-N 2 0 276.384 1.429 20 30 CDEDRP C=CCC[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435693341 391655399 /nfs/dbraw/zinc/65/53/99/391655399.db2.gz JARBUASUDLPONZ-AWEZNQCLSA-N 2 0 274.412 1.940 20 30 CDEDRP Cn1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1C#N ZINC000190991950 130170044 /nfs/dbraw/zinc/17/00/44/130170044.db2.gz PNQYMOQLVZXOBY-OAHLLOKOSA-N 2 0 290.411 1.223 20 30 CDEDRP C[C@H]1C[NH+]=C(NCc2ccccc2C[NH+]2CCCC2)N1 ZINC000262661053 391808014 /nfs/dbraw/zinc/80/80/14/391808014.db2.gz MXPOIKVOJUSGCH-ZDUSSCGKSA-N 2 0 272.396 1.720 20 30 CDEDRP C[NH+]=C(NCc1cccn1C)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000262754021 391818544 /nfs/dbraw/zinc/81/85/44/391818544.db2.gz AMFYEYIFRAEIQC-STQMWFEESA-N 2 0 289.427 1.315 20 30 CDEDRP C=CCCn1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)nn1 ZINC000657492698 414394971 /nfs/dbraw/zinc/39/49/71/414394971.db2.gz ZKMNXDMQKBMFPI-CQSZACIVSA-N 2 0 277.416 1.676 20 30 CDEDRP CCNC(NCc1ccccc1OCC[NH+](C)C)=[NH+]CC ZINC000161526801 261249678 /nfs/dbraw/zinc/24/96/78/261249678.db2.gz YBDCWVQTRNEHCJ-UHFFFAOYSA-N 2 0 292.427 1.702 20 30 CDEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C)C2)cc1 ZINC000264091800 262868843 /nfs/dbraw/zinc/86/88/43/262868843.db2.gz LEHOQYRGYWSDSR-NSHDSACASA-N 2 0 262.357 1.374 20 30 CDEDRP CC(C)CNC(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270602967 262989856 /nfs/dbraw/zinc/98/98/56/262989856.db2.gz WJKXJNXZNSDOJU-UHFFFAOYSA-N 2 0 293.415 1.082 20 30 CDEDRP CCNC(=[NH2+])NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000274812233 263030630 /nfs/dbraw/zinc/03/06/30/263030630.db2.gz VWYPALDJSRTXFJ-HNNXBMFYSA-N 2 0 274.412 1.821 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC(C)(C)C[NH3+])C(C)C ZINC000417072806 263781355 /nfs/dbraw/zinc/78/13/55/263781355.db2.gz XHTQWWOGAKENJI-AWEZNQCLSA-N 2 0 296.459 1.722 20 30 CDEDRP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001669909784 1173629566 /nfs/dbraw/zinc/62/95/66/1173629566.db2.gz JHHMYDWHPFKUIK-ZIAGYGMSSA-N 2 0 269.433 1.729 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC1(C)C ZINC000262398720 330012660 /nfs/dbraw/zinc/01/26/60/330012660.db2.gz NGSUTWYEEVRSGU-VXGBXAGGSA-N 2 0 252.406 1.421 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)N1 ZINC000262471729 330015632 /nfs/dbraw/zinc/01/56/32/330015632.db2.gz BFLQWMMGQIIUIB-FRRDWIJNSA-N 2 0 266.433 1.680 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCC[NH+]2CCC3(CCCCC3)CC2)N1 ZINC000262682488 330026741 /nfs/dbraw/zinc/02/67/41/330026741.db2.gz WUUBYXQPXOAZHO-CQSZACIVSA-N 2 0 278.444 1.970 20 30 CDEDRP C[NH+]=C(N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)N(C)C ZINC000262850436 330035414 /nfs/dbraw/zinc/03/54/14/330035414.db2.gz ZNPBREHSBCVHOT-UKRRQHHQSA-N 2 0 274.412 1.959 20 30 CDEDRP C[NH+](C)C1(CNC(=[NH2+])N2CCSCC2)CCCCC1 ZINC000263252161 330050571 /nfs/dbraw/zinc/05/05/71/330050571.db2.gz PIIOLHJYZFXFKT-UHFFFAOYSA-N 2 0 284.473 1.614 20 30 CDEDRP C=CCNC(NCC1([NH+](C)C)CCCCC1)=[NH+]C ZINC000263266732 330051080 /nfs/dbraw/zinc/05/10/80/330051080.db2.gz VKQROIXVGWLURA-UHFFFAOYSA-N 2 0 252.406 1.602 20 30 CDEDRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424132132 330264213 /nfs/dbraw/zinc/26/42/13/330264213.db2.gz KKLQZTVTPLXKCM-HUUCEWRRSA-N 2 0 294.443 1.778 20 30 CDEDRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424136306 330272318 /nfs/dbraw/zinc/27/23/18/330272318.db2.gz AHOKYEKEHZRNCY-UONOGXRCSA-N 2 0 280.416 1.198 20 30 CDEDRP CC(C)C[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+](C)C ZINC000424137052 330273416 /nfs/dbraw/zinc/27/34/16/330273416.db2.gz RNVVZXICGGDLPD-CHWSQXEVSA-N 2 0 268.405 1.100 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000490594274 332094002 /nfs/dbraw/zinc/09/40/02/332094002.db2.gz NZBCNSHOIDQWCS-OAHLLOKOSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCN(C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000491209483 332166376 /nfs/dbraw/zinc/16/63/76/332166376.db2.gz HVDBBORGSLXGFH-XHSDSOJGSA-N 2 0 263.429 1.404 20 30 CDEDRP CC[NH+]1CCN([C@@H](C)C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000174269777 335151617 /nfs/dbraw/zinc/15/16/17/335151617.db2.gz XMWZCGPOKMVGPY-HNNXBMFYSA-N 2 0 280.460 1.932 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001168137016 1160434805 /nfs/dbraw/zinc/43/48/05/1160434805.db2.gz KZNKUJKHAFHQCL-CYBMUJFWSA-N 2 0 265.401 1.000 20 30 CDEDRP CCC#C[C@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000678720687 483152552 /nfs/dbraw/zinc/15/25/52/483152552.db2.gz XZYGROGWKHWFPK-HNNXBMFYSA-N 2 0 265.445 1.746 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000732057897 575077787 /nfs/dbraw/zinc/07/77/87/575077787.db2.gz KRWDRFOCJUZUMB-INIZCTEOSA-N 2 0 294.358 1.908 20 30 CDEDRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000749110407 576935334 /nfs/dbraw/zinc/93/53/34/576935334.db2.gz FSACOFWIMKPUHF-UHFFFAOYSA-N 2 0 292.452 1.737 20 30 CDEDRP C=C(C)CC[NH+]1CC(N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000957278259 613244574 /nfs/dbraw/zinc/24/45/74/613244574.db2.gz HOKIRQOXZGRMHQ-UHFFFAOYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000951758254 613245199 /nfs/dbraw/zinc/24/51/99/613245199.db2.gz SURLHFAPTUIBGB-GDBMZVCRSA-N 2 0 293.455 1.683 20 30 CDEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000969968171 613249365 /nfs/dbraw/zinc/24/93/65/613249365.db2.gz HUYCSLURERIPBT-GOEBONIOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000970928477 613302206 /nfs/dbraw/zinc/30/22/06/613302206.db2.gz LJVBLSGXDPVJNM-GOEBONIOSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000962054122 613319319 /nfs/dbraw/zinc/31/93/19/613319319.db2.gz ZGLOAXGXCZACFM-FVQHAEBGSA-N 2 0 297.402 1.041 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944171088 613334826 /nfs/dbraw/zinc/33/48/26/613334826.db2.gz WFMPMJDDSDWCNK-CABCVRRESA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1CC ZINC000962756256 613345098 /nfs/dbraw/zinc/34/50/98/613345098.db2.gz QWGMDMFNCFDSSJ-QXSJWSMHSA-N 2 0 291.439 1.483 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000968851013 613385003 /nfs/dbraw/zinc/38/50/03/613385003.db2.gz KRUQIMKVKXHWMT-KGLIPLIRSA-N 2 0 299.846 1.804 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939054797 613386268 /nfs/dbraw/zinc/38/62/68/613386268.db2.gz PFAMTGAIDPHJOY-SMDDNHRTSA-N 2 0 299.846 1.517 20 30 CDEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC000970810753 613482600 /nfs/dbraw/zinc/48/26/00/613482600.db2.gz QBOAOOSOLGHPFU-PBHICJAKSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000950011389 613502326 /nfs/dbraw/zinc/50/23/26/613502326.db2.gz LFKXCGSFFHKWCU-UHFFFAOYSA-N 2 0 265.401 1.049 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549407 613528657 /nfs/dbraw/zinc/52/86/57/613528657.db2.gz QIFBFLVGXPFWGH-GJZGRUSLSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC000971711984 613627416 /nfs/dbraw/zinc/62/74/16/613627416.db2.gz HVWKMPFSLYLDTF-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967265874 613730871 /nfs/dbraw/zinc/73/08/71/613730871.db2.gz XVNVTUDWCUEVBI-CJNGLKHVSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C)C(C)(C)C1 ZINC000972857662 613808369 /nfs/dbraw/zinc/80/83/69/613808369.db2.gz LIDHRWZAVSHTJE-CHWSQXEVSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974601969 613808530 /nfs/dbraw/zinc/80/85/30/613808530.db2.gz VCWUMTSJFURGJW-RRFJBIMHSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC000982306615 613822757 /nfs/dbraw/zinc/82/27/57/613822757.db2.gz VKJMVMDBFOJBTB-OIISXLGYSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000970446454 613863213 /nfs/dbraw/zinc/86/32/13/613863213.db2.gz BLUNLFHTWWYHEX-MRXNPFEDSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001266362063 1158510424 /nfs/dbraw/zinc/51/04/24/1158510424.db2.gz XMSVISKYJDFOKS-AWEZNQCLSA-N 2 0 265.401 1.239 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001167232401 1158545764 /nfs/dbraw/zinc/54/57/64/1158545764.db2.gz BGTJIOUIPANKHR-OAHLLOKOSA-N 2 0 291.439 1.228 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001754944853 1159491668 /nfs/dbraw/zinc/49/16/68/1159491668.db2.gz MAZGEFAPZCSFKH-CQSZACIVSA-N 2 0 267.417 1.341 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131844925 1163073331 /nfs/dbraw/zinc/07/33/31/1163073331.db2.gz PGTUIQXHJUQWJO-UHFFFAOYSA-N 2 0 267.417 1.533 20 30 CDEDRP C[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCC[C@@H]1C[NH3+] ZINC001205995581 1161992550 /nfs/dbraw/zinc/99/25/50/1161992550.db2.gz PDLZHSVSXVISDR-TZMCWYRMSA-N 2 0 260.385 1.704 20 30 CDEDRP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158857210 1163673344 /nfs/dbraw/zinc/67/33/44/1163673344.db2.gz XHCPWKLSOBGETR-HZPDHXFCSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCOC1CCC([NH+]2CCN(CCCC[NH3+])CC2)CC1 ZINC001173318116 1164295132 /nfs/dbraw/zinc/29/51/32/1164295132.db2.gz VNBPVPMSTVZUKU-UHFFFAOYSA-N 2 0 295.471 1.857 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001580049227 1172334040 /nfs/dbraw/zinc/33/40/40/1172334040.db2.gz LFWBNMUHFDXFKB-LBPRGKRZSA-N 2 0 257.297 1.294 20 30 CDEDRP C#CCC[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001725425017 1181996461 /nfs/dbraw/zinc/99/64/61/1181996461.db2.gz PLBBSQQSBXCMFN-MRXNPFEDSA-N 2 0 293.455 1.519 20 30 CDEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001725629200 1182077400 /nfs/dbraw/zinc/07/74/00/1182077400.db2.gz MDDGZJNBYDTOCX-BFYDXBDKSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CCC[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+](C)CCC)C1 ZINC001753462310 1184544323 /nfs/dbraw/zinc/54/43/23/1184544323.db2.gz VTBNCGNPYRFUCM-HNNXBMFYSA-N 2 0 281.444 1.827 20 30 CDEDRP CC#CC[N@H+](CC)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001752181552 1184832420 /nfs/dbraw/zinc/83/24/20/1184832420.db2.gz BZJAAWXPBNXTES-MRXNPFEDSA-N 2 0 291.439 1.180 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NCCC[N@@H+](CC)CC(=C)C ZINC001752188413 1184833261 /nfs/dbraw/zinc/83/32/61/1184833261.db2.gz OJWKUQQWEMYPFZ-INIZCTEOSA-N 2 0 291.439 1.488 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001752737661 1184903453 /nfs/dbraw/zinc/90/34/53/1184903453.db2.gz OWIKYOIXDMALIL-ZNMIVQPWSA-N 2 0 279.428 1.674 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001752820543 1184925818 /nfs/dbraw/zinc/92/58/18/1184925818.db2.gz OFJHOUZGFOXMNV-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)C(C)C)C1 ZINC001753322283 1185153920 /nfs/dbraw/zinc/15/39/20/1185153920.db2.gz HDFJXURJVZCKCB-OAHLLOKOSA-N 2 0 281.444 1.826 20 30 CDEDRP C#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001753327762 1185157983 /nfs/dbraw/zinc/15/79/83/1185157983.db2.gz HUVMGHIRRVIHPN-HRCADAONSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH2+]C[C@@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001753644891 1185283798 /nfs/dbraw/zinc/28/37/98/1185283798.db2.gz OTYWKWSNXYZQAW-CQSZACIVSA-N 2 0 287.407 1.337 20 30 CDEDRP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001753809080 1185342020 /nfs/dbraw/zinc/34/20/20/1185342020.db2.gz JKCNXWCUIIJVKQ-HOCLYGCPSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001753853761 1185363671 /nfs/dbraw/zinc/36/36/71/1185363671.db2.gz KPLHSNCZCQSSCM-LSDHHAIUSA-N 2 0 281.444 1.683 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CCC)CC1 ZINC001754208925 1185506282 /nfs/dbraw/zinc/50/62/82/1185506282.db2.gz CKWZHDLMPSNMRM-WAYWQWQTSA-N 2 0 277.412 1.004 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cn1ccnc1C ZINC001754253497 1185531256 /nfs/dbraw/zinc/53/12/56/1185531256.db2.gz OFDCUMUTKSGSSO-CHWSQXEVSA-N 2 0 278.400 1.641 20 30 CDEDRP C=CCC[NH2+]C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001754273928 1185544908 /nfs/dbraw/zinc/54/49/08/1185544908.db2.gz LLCVFFXKSGOYOK-LBPRGKRZSA-N 2 0 286.379 1.927 20 30 CDEDRP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001754313835 1185572110 /nfs/dbraw/zinc/57/21/10/1185572110.db2.gz FPTHAOKYHVHNRQ-AWEZNQCLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001754710575 1185712255 /nfs/dbraw/zinc/71/22/55/1185712255.db2.gz INDLXJCWCCKDBU-HOCLYGCPSA-N 2 0 279.428 1.342 20 30 CDEDRP CC#CC[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001755135342 1185827182 /nfs/dbraw/zinc/82/71/82/1185827182.db2.gz LVEURCXPMSZLFK-HNNXBMFYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH2+]C1(C)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001755135647 1185828080 /nfs/dbraw/zinc/82/80/80/1185828080.db2.gz YNTSELNXCJIFQV-UHFFFAOYSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001755205851 1185853322 /nfs/dbraw/zinc/85/33/22/1185853322.db2.gz ZJRMOLILMIJDLG-JKSUJKDBSA-N 2 0 293.455 1.685 20 30 CDEDRP C#CC[NH2+]CC1(NC(=O)C[N@@H+](C)C2CCC2)CCCCC1 ZINC001755352412 1185925083 /nfs/dbraw/zinc/92/50/83/1185925083.db2.gz APJMMMITOIWXJK-UHFFFAOYSA-N 2 0 291.439 1.513 20 30 CDEDRP C#CC[NH+]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001755413504 1185945155 /nfs/dbraw/zinc/94/51/55/1185945155.db2.gz YOXICWGKFBLDSN-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001755413182 1185945992 /nfs/dbraw/zinc/94/59/92/1185945992.db2.gz BVOQEWOFINAHCR-AWEZNQCLSA-N 2 0 281.444 1.731 20 30 CDEDRP C#CCC[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001755530810 1185982583 /nfs/dbraw/zinc/98/25/83/1185982583.db2.gz PLBBSQQSBXCMFN-INIZCTEOSA-N 2 0 293.455 1.519 20 30 CDEDRP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001755594194 1186005635 /nfs/dbraw/zinc/00/56/35/1186005635.db2.gz NDACJZWLNWJLQT-GJZGRUSLSA-N 2 0 281.444 1.729 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001755664469 1186028908 /nfs/dbraw/zinc/02/89/08/1186028908.db2.gz SSAZBQHQPCRUMA-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001755712922 1186044578 /nfs/dbraw/zinc/04/45/78/1186044578.db2.gz RVJAFPAFHKDBTO-OWCLPIDISA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001755724934 1186047790 /nfs/dbraw/zinc/04/77/90/1186047790.db2.gz ZXGOWBXAIPSZAV-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001755844831 1186088790 /nfs/dbraw/zinc/08/87/90/1186088790.db2.gz LSOBTIKSIDEOJN-CQSZACIVSA-N 2 0 279.428 1.178 20 30 CDEDRP N#Cc1ccc(NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000925893066 790264403 /nfs/dbraw/zinc/26/44/03/790264403.db2.gz KEUZZCYPBIEMAU-PBWFPOADSA-N 2 0 271.368 1.238 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000999341535 790308525 /nfs/dbraw/zinc/30/85/25/790308525.db2.gz HFXMOROKEFXYBW-UHFFFAOYSA-N 2 0 265.401 1.093 20 30 CDEDRP C#CC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001000101457 790467263 /nfs/dbraw/zinc/46/72/63/790467263.db2.gz RFYTZCXBGRSRNT-OAHLLOKOSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033091804 790695108 /nfs/dbraw/zinc/69/51/08/790695108.db2.gz NAUPZDCQIUPDHK-RBSFLKMASA-N 2 0 279.428 1.435 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001002790933 790713325 /nfs/dbraw/zinc/71/33/25/790713325.db2.gz CJUGXYFQUSMCII-MRXNPFEDSA-N 2 0 291.439 1.463 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC000989800302 790724255 /nfs/dbraw/zinc/72/42/55/790724255.db2.gz QIUKVGRTACPLNJ-STQMWFEESA-N 2 0 285.819 1.414 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001031665637 790744054 /nfs/dbraw/zinc/74/40/54/790744054.db2.gz CDDOBRXUGTYDTC-AWEZNQCLSA-N 2 0 265.401 1.093 20 30 CDEDRP C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000923581756 790884742 /nfs/dbraw/zinc/88/47/42/790884742.db2.gz KAPQDFRVDOCVQQ-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP CC(C)C(CNC(=[NH2+])NCCCN1CCOCC1)C(C)C ZINC000193861642 790894289 /nfs/dbraw/zinc/89/42/89/790894289.db2.gz ITEAVSPYZJIOIS-UHFFFAOYSA-N 2 0 298.475 1.541 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001015611614 791071498 /nfs/dbraw/zinc/07/14/98/791071498.db2.gz KAWMNVXOHSYKGY-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001028605515 791133332 /nfs/dbraw/zinc/13/33/32/791133332.db2.gz WHNGICUUJZNDSM-JHJVBQTASA-N 2 0 274.368 1.137 20 30 CDEDRP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001028537879 790057179 /nfs/dbraw/zinc/05/71/79/790057179.db2.gz UOYXGCCWDHJOHU-CABCVRRESA-N 2 0 279.428 1.483 20 30 CDEDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000857234859 790093140 /nfs/dbraw/zinc/09/31/40/790093140.db2.gz NULOBDMDIJTAPW-MJBXVCDLSA-N 2 0 267.417 1.750 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001027981108 790116904 /nfs/dbraw/zinc/11/69/04/790116904.db2.gz JMVFEYHCYPZQGA-KGLIPLIRSA-N 2 0 288.395 1.212 20 30 CDEDRP COc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1C#N ZINC000817915529 790180798 /nfs/dbraw/zinc/18/07/98/790180798.db2.gz NTGZETZLXKYWRC-OCCSQVGLSA-N 2 0 259.353 1.784 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001031765612 790184200 /nfs/dbraw/zinc/18/42/00/790184200.db2.gz JBSPZTBWAJSMFA-HOTGVXAUSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001019043696 790185821 /nfs/dbraw/zinc/18/58/21/790185821.db2.gz FCFPWZAYMKXIGD-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000303867198 791285055 /nfs/dbraw/zinc/28/50/55/791285055.db2.gz CTSSBYHKQVCLDQ-STQMWFEESA-N 2 0 270.421 1.046 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000996996330 791387418 /nfs/dbraw/zinc/38/74/18/791387418.db2.gz XZPRQHBDJIRLRC-ZDUSSCGKSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989665678 791416991 /nfs/dbraw/zinc/41/69/91/791416991.db2.gz KITIUCHATHWGSI-CQSZACIVSA-N 2 0 265.401 1.049 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001027650223 791453243 /nfs/dbraw/zinc/45/32/43/791453243.db2.gz CQFJMNMTXKISMD-GJZGRUSLSA-N 2 0 279.428 1.437 20 30 CDEDRP CCCCCCC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000310888581 791609581 /nfs/dbraw/zinc/60/95/81/791609581.db2.gz XEQIYNURCFHKMT-HNNXBMFYSA-N 2 0 253.434 1.936 20 30 CDEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997517314 791732325 /nfs/dbraw/zinc/73/23/25/791732325.db2.gz ZRXHQAIQUUTKHV-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP C[NH+]=C(NC[C@H]1CCCS1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262024330 791818041 /nfs/dbraw/zinc/81/80/41/791818041.db2.gz ZJHMWYXFEPWVTJ-GXTWGEPZSA-N 2 0 296.484 1.531 20 30 CDEDRP C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001024513588 791855363 /nfs/dbraw/zinc/85/53/63/791855363.db2.gz RELYXPIWKZMQNQ-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000923364419 792051133 /nfs/dbraw/zinc/05/11/33/792051133.db2.gz MJEWVVMAWDUILL-CABCVRRESA-N 2 0 252.402 1.778 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001020591714 792091031 /nfs/dbraw/zinc/09/10/31/792091031.db2.gz STNRVBHVSWWEOH-OJAKKHQRSA-N 2 0 285.819 1.173 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001074711151 792365613 /nfs/dbraw/zinc/36/56/13/792365613.db2.gz UDVVSMIIBYLGNJ-RWMBFGLXSA-N 2 0 287.835 1.658 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031669654 792534089 /nfs/dbraw/zinc/53/40/89/792534089.db2.gz QHYSOAOOAGKFTJ-HZPDHXFCSA-N 2 0 291.439 1.485 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001052499109 792631759 /nfs/dbraw/zinc/63/17/59/792631759.db2.gz NYKJIRFADIPPRP-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CCOCCON=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000853673585 793075791 /nfs/dbraw/zinc/07/57/91/793075791.db2.gz HCZSBUJFJRDCKC-UHFFFAOYSA-N 2 0 275.352 1.035 20 30 CDEDRP C#CC[N@H+]1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@H]21 ZINC001036736434 793261060 /nfs/dbraw/zinc/26/10/60/793261060.db2.gz ZTJQFFSYNBSOFP-LSDHHAIUSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052869513 793269852 /nfs/dbraw/zinc/26/98/52/793269852.db2.gz GXCXBIXODQAZTI-HNNXBMFYSA-N 2 0 291.439 1.629 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000849025541 793323425 /nfs/dbraw/zinc/32/34/25/793323425.db2.gz MMLDVFMWYGWHEF-KKUMJFAQSA-N 2 0 294.443 1.566 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]C(C)C)CC2)CC1 ZINC000997363665 793329889 /nfs/dbraw/zinc/32/98/89/793329889.db2.gz IRGQFULIUAEOCA-UHFFFAOYSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001026605658 793382062 /nfs/dbraw/zinc/38/20/62/793382062.db2.gz XPCGHRSEYNMKAB-IYXRBSQSSA-N 2 0 299.846 1.708 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001019822781 793406039 /nfs/dbraw/zinc/40/60/39/793406039.db2.gz CATWFUXYUQMLEH-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001006916698 793745421 /nfs/dbraw/zinc/74/54/21/793745421.db2.gz MYDDLXWPRJIKGT-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NCC1(C[NH+](C)C)CCCC1 ZINC000305806670 793754081 /nfs/dbraw/zinc/75/40/81/793754081.db2.gz GTOWRZVAJVEKSH-GFCCVEGCSA-N 2 0 270.421 1.048 20 30 CDEDRP C=CC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001042215682 793881272 /nfs/dbraw/zinc/88/12/72/793881272.db2.gz FUPFZWQBWIYXNU-GOEBONIOSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001794168 793938514 /nfs/dbraw/zinc/93/85/14/793938514.db2.gz CAFPCLXPLGYZHS-UHFFFAOYSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001050649147 793995603 /nfs/dbraw/zinc/99/56/03/793995603.db2.gz QIFZSIUAWPBRKK-OAHLLOKOSA-N 2 0 293.455 1.683 20 30 CDEDRP C#Cc1ccc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000809615831 794038784 /nfs/dbraw/zinc/03/87/84/794038784.db2.gz DYIOVOXFUKIQLT-HNNXBMFYSA-N 2 0 271.408 1.393 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001034012638 794071767 /nfs/dbraw/zinc/07/17/67/794071767.db2.gz IIRXGTHAVMZISD-CQSZACIVSA-N 2 0 277.412 1.191 20 30 CDEDRP C[C@H](CNC(=[NH2+])N(C)C1CC1)[NH+]1CCC(C)CC1 ZINC000305825857 794166148 /nfs/dbraw/zinc/16/61/48/794166148.db2.gz QZKSBZQJVHSWAA-GFCCVEGCSA-N 2 0 252.406 1.516 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049902994 794176035 /nfs/dbraw/zinc/17/60/35/794176035.db2.gz WDIOYUWMDPONFG-GJZGRUSLSA-N 2 0 277.412 1.334 20 30 CDEDRP C=CC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001000849398 794296266 /nfs/dbraw/zinc/29/62/66/794296266.db2.gz HODZVBBCHYFHEZ-OAHLLOKOSA-N 2 0 277.412 1.405 20 30 CDEDRP C=CCC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000883166702 794383694 /nfs/dbraw/zinc/38/36/94/794383694.db2.gz HCQFLYWUKMYWNQ-IAGOWNOFSA-N 2 0 295.471 1.727 20 30 CDEDRP C[C@@H]1C[N@@H+](CCCNC(=[NH2+])NCC2CCC2)C[C@H](C)O1 ZINC000303788097 794396069 /nfs/dbraw/zinc/39/60/69/794396069.db2.gz TWOPLCIAZQEXSK-BETUJISGSA-N 2 0 282.432 1.190 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000817658646 794497094 /nfs/dbraw/zinc/49/70/94/794497094.db2.gz HRIRNKMIKVGDFB-NRXISQOPSA-N 2 0 277.412 1.073 20 30 CDEDRP N#Cc1ccc(NCC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)nc1 ZINC000925893896 794538346 /nfs/dbraw/zinc/53/83/46/794538346.db2.gz RWWTXEBELGKGEW-QWHCGFSZSA-N 2 0 259.357 1.225 20 30 CDEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041828881 794604545 /nfs/dbraw/zinc/60/45/45/794604545.db2.gz JORXGVATYLVHQU-ZBFHGGJFSA-N 2 0 277.412 1.049 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000928654226 794825094 /nfs/dbraw/zinc/82/50/94/794825094.db2.gz RTIUDRCDYKOFPG-MRXNPFEDSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CCCN1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001038779833 794874317 /nfs/dbraw/zinc/87/43/17/794874317.db2.gz KQEUSFAYPFZVKV-JKSUJKDBSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992156788 794923625 /nfs/dbraw/zinc/92/36/25/794923625.db2.gz XLLHGQVNMPBECT-NVXWUHKLSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000985470162 794950561 /nfs/dbraw/zinc/95/05/61/794950561.db2.gz MJHJPPNVKQMWRI-OAHLLOKOSA-N 2 0 279.428 1.435 20 30 CDEDRP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001052395753 794987085 /nfs/dbraw/zinc/98/70/85/794987085.db2.gz ZFXWIXCZZMSBBH-OWCLPIDISA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001017943532 795032280 /nfs/dbraw/zinc/03/22/80/795032280.db2.gz FQHICYBINHLYPZ-CAOSSQGBSA-N 2 0 291.439 1.435 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076244717 795127501 /nfs/dbraw/zinc/12/75/01/795127501.db2.gz WJJXFVFPXKWUFS-OWCLPIDISA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046587498 795336090 /nfs/dbraw/zinc/33/60/90/795336090.db2.gz CTRMNYRSJQCDOD-MRXNPFEDSA-N 2 0 279.428 1.485 20 30 CDEDRP CC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000303262708 795363694 /nfs/dbraw/zinc/36/36/94/795363694.db2.gz QAYSKRCSGXTUKQ-QWHCGFSZSA-N 2 0 254.422 1.810 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001000194501 795373262 /nfs/dbraw/zinc/37/32/62/795373262.db2.gz VUQFNAIJVCSMGF-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001032054842 795564642 /nfs/dbraw/zinc/56/46/42/795564642.db2.gz FYQADABPZOJYOG-UHFFFAOYSA-N 2 0 287.407 1.596 20 30 CDEDRP C[C@H](CNC(=[NH2+])NCC1CCC1)[NH+]1CCC(C)CC1 ZINC000104181377 795710211 /nfs/dbraw/zinc/71/02/11/795710211.db2.gz FOGZFMBDGHCRFZ-CYBMUJFWSA-N 2 0 266.433 1.811 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999789400 795768442 /nfs/dbraw/zinc/76/84/42/795768442.db2.gz HDZFKXSSZDPLAZ-HOTGVXAUSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001036302963 795883427 /nfs/dbraw/zinc/88/34/27/795883427.db2.gz KSUIREVXXNDMLM-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCN1CCC[C@H](NC(=O)N(CC)CCC[NH+](C)C)C1 ZINC000890367549 795930090 /nfs/dbraw/zinc/93/00/90/795930090.db2.gz OCMANGZBFUDSRG-HNNXBMFYSA-N 2 0 294.443 1.067 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001052250618 795994778 /nfs/dbraw/zinc/99/47/78/795994778.db2.gz IDKKTKYZFNOZDR-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032027460 796112056 /nfs/dbraw/zinc/11/20/56/796112056.db2.gz SEGTTXCREIZWRL-INIZCTEOSA-N 2 0 293.455 1.873 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C ZINC000303774857 796215404 /nfs/dbraw/zinc/21/54/04/796215404.db2.gz GFPDJEWWBTXZCM-CABCVRRESA-N 3 0 297.491 1.351 20 30 CDEDRP Cc1nccn1-c1ncccc1CNC(=[NH2+])NCC1CCC1 ZINC000262024042 796259511 /nfs/dbraw/zinc/25/95/11/796259511.db2.gz YYQXKAHMZRZBFY-UHFFFAOYSA-N 2 0 298.394 1.780 20 30 CDEDRP C#CC[N@@H+](C)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000985685047 796261579 /nfs/dbraw/zinc/26/15/79/796261579.db2.gz CTPCLFYCQUTYCL-UHFFFAOYSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001001451920 796334895 /nfs/dbraw/zinc/33/48/95/796334895.db2.gz OUURTTRSDXQAOF-HNNXBMFYSA-N 2 0 277.412 1.263 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001028690465 796344520 /nfs/dbraw/zinc/34/45/20/796344520.db2.gz YKZUVNQTQOMPBS-ZDUSSCGKSA-N 2 0 282.347 1.019 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2ncc[nH]2)C1 ZINC000988740811 796427378 /nfs/dbraw/zinc/42/73/78/796427378.db2.gz AVMZDPIUYQKQDS-QWHCGFSZSA-N 2 0 276.384 1.497 20 30 CDEDRP C=CCCC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001100831062 1166999865 /nfs/dbraw/zinc/99/98/65/1166999865.db2.gz DJTBTSNUWOZYCJ-UHFFFAOYSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001095038509 912235371 /nfs/dbraw/zinc/23/53/71/912235371.db2.gz BYMZUYMSUCOSHN-KKUMJFAQSA-N 2 0 289.423 1.237 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001095056018 912294761 /nfs/dbraw/zinc/29/47/61/912294761.db2.gz CNAYVZGZQFDYGA-KKUMJFAQSA-N 2 0 277.412 1.237 20 30 CDEDRP C=CCOC1CCC([NH2+]CCC[N@H+](C)CCO)CC1 ZINC001173319668 912456749 /nfs/dbraw/zinc/45/67/49/912456749.db2.gz QYMHWVAMIRRAMG-UHFFFAOYSA-N 2 0 270.417 1.404 20 30 CDEDRP CC1(C#N)CCC([NH2+]CC2CC[NH+](CCO)CC2)CC1 ZINC001173588342 912634734 /nfs/dbraw/zinc/63/47/34/912634734.db2.gz BKXCXJYDQQRLMG-UHFFFAOYSA-N 2 0 279.428 1.753 20 30 CDEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001175318386 913540006 /nfs/dbraw/zinc/54/00/06/913540006.db2.gz ZNAQASKTZVSQRB-KGLIPLIRSA-N 2 0 269.433 1.777 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175565044 913680488 /nfs/dbraw/zinc/68/04/88/913680488.db2.gz GHXLJPXGUYTYBY-OAHLLOKOSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001175769652 913783139 /nfs/dbraw/zinc/78/31/39/913783139.db2.gz TZQQTPRVPIKSPO-CQSZACIVSA-N 2 0 269.433 1.779 20 30 CDEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266352642 894516577 /nfs/dbraw/zinc/51/65/77/894516577.db2.gz FHJMYNZSMYBTEN-HUUCEWRRSA-N 2 0 281.444 1.729 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001167224941 894903749 /nfs/dbraw/zinc/90/37/49/894903749.db2.gz OSSUFMIADSCHME-HNNXBMFYSA-N 2 0 293.455 1.923 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176165758 913973151 /nfs/dbraw/zinc/97/31/51/913973151.db2.gz OCYCNZZQGVJKPG-HZPDHXFCSA-N 2 0 293.455 1.616 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176165759 913972577 /nfs/dbraw/zinc/97/25/77/913972577.db2.gz OCYCNZZQGVJKPG-JKSUJKDBSA-N 2 0 293.455 1.616 20 30 CDEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)Cc1cncn1C ZINC001176174122 913976851 /nfs/dbraw/zinc/97/68/51/913976851.db2.gz BUTODHNQGQDIED-AWEZNQCLSA-N 2 0 290.411 1.251 20 30 CDEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176563969 914180262 /nfs/dbraw/zinc/18/02/62/914180262.db2.gz IZFXYMLVXOQWBJ-HUUCEWRRSA-N 2 0 279.428 1.226 20 30 CDEDRP C=C1CC[NH2+]C[C@H]1Oc1ccc2c(n1)CC[NH2+]CC2 ZINC001218204190 898470958 /nfs/dbraw/zinc/47/09/58/898470958.db2.gz NPTFBEATJKKUJQ-CQSZACIVSA-N 2 0 259.353 1.067 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001481045381 898676619 /nfs/dbraw/zinc/67/66/19/898676619.db2.gz KDAVQHZMICTHOZ-QWHCGFSZSA-N 2 0 253.390 1.093 20 30 CDEDRP C=C(C)C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001481182844 899077587 /nfs/dbraw/zinc/07/75/87/899077587.db2.gz VFECMIAKWMTDDL-HNNXBMFYSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001270228776 904458133 /nfs/dbraw/zinc/45/81/33/904458133.db2.gz PRCWPNGCPYWBOC-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000989826702 909016883 /nfs/dbraw/zinc/01/68/83/909016883.db2.gz RUOREFISENCXJG-WMLDXEAASA-N 2 0 299.418 1.574 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171684580 910909284 /nfs/dbraw/zinc/90/92/84/910909284.db2.gz UKJNHQKODSZWGB-AWEZNQCLSA-N 2 0 298.390 1.846 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001106905612 915247487 /nfs/dbraw/zinc/24/74/87/915247487.db2.gz YRWOFEXIKSAMQM-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)C[N@H+](C)C1CCC1 ZINC001178705214 915599632 /nfs/dbraw/zinc/59/96/32/915599632.db2.gz ITUMPQCXUIBEPT-UHFFFAOYSA-N 2 0 293.455 1.760 20 30 CDEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001182606804 918009483 /nfs/dbraw/zinc/00/94/83/918009483.db2.gz AUQRHUKXSLMVLV-BFYDXBDKSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000996731643 918400333 /nfs/dbraw/zinc/40/03/33/918400333.db2.gz ZCMPTRAJOUYMQV-CQSZACIVSA-N 2 0 299.846 1.804 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001052254737 936579866 /nfs/dbraw/zinc/57/98/66/936579866.db2.gz OTORSZQJFCLBJO-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001186486527 920035161 /nfs/dbraw/zinc/03/51/61/920035161.db2.gz AVSAHCPKUYCPOU-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001190084829 921833109 /nfs/dbraw/zinc/83/31/09/921833109.db2.gz SOZRBUHOOXKAGM-HOTGVXAUSA-N 2 0 293.455 1.968 20 30 CDEDRP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190442758 921998809 /nfs/dbraw/zinc/99/88/09/921998809.db2.gz BAFBHRDEAISBLJ-LSDHHAIUSA-N 2 0 297.418 1.222 20 30 CDEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001190997128 922365364 /nfs/dbraw/zinc/36/53/64/922365364.db2.gz RHMPOPFGADVKHB-AWEZNQCLSA-N 2 0 281.444 1.826 20 30 CDEDRP C=CCN1CC[C@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001273143769 923224134 /nfs/dbraw/zinc/22/41/34/923224134.db2.gz KWXZSKFELBAPGD-WBVHZDCISA-N 2 0 291.439 1.439 20 30 CDEDRP C=C(C[NH+]1CCCCC1)C(=O)N1CCCC2(C[NH+](C)C2)C1 ZINC001273146316 923348700 /nfs/dbraw/zinc/34/87/00/923348700.db2.gz JTHXHYCUJOOCNZ-UHFFFAOYSA-N 2 0 291.439 1.583 20 30 CDEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001194266077 924141692 /nfs/dbraw/zinc/14/16/92/924141692.db2.gz KENABMJITRBQSI-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194283955 924159806 /nfs/dbraw/zinc/15/98/06/924159806.db2.gz CQANSVXUXUSZDN-OAHLLOKOSA-N 2 0 281.444 1.826 20 30 CDEDRP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001079843649 924434946 /nfs/dbraw/zinc/43/49/46/924434946.db2.gz CLYCLXYPFGKPQO-OWCLPIDISA-N 2 0 291.439 1.034 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080786630 924636291 /nfs/dbraw/zinc/63/62/91/924636291.db2.gz TVWUCZKJVWZNOX-ZIAGYGMSSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001080997760 924676166 /nfs/dbraw/zinc/67/61/66/924676166.db2.gz KHESPOCPKKZABK-KFWWJZLASA-N 2 0 279.428 1.483 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001100785329 936937477 /nfs/dbraw/zinc/93/74/77/936937477.db2.gz FQWMNUYMHWTCAH-UHFFFAOYSA-N 2 0 291.439 1.226 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001082507173 924951629 /nfs/dbraw/zinc/95/16/29/924951629.db2.gz GBMMDUFXXFOKEV-RBSFLKMASA-N 2 0 279.428 1.482 20 30 CDEDRP C=CCN1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001197133974 925051490 /nfs/dbraw/zinc/05/14/90/925051490.db2.gz JSFKPZAHLVZFAV-OAHLLOKOSA-N 2 0 281.444 1.827 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370246 937054171 /nfs/dbraw/zinc/05/41/71/937054171.db2.gz VDILJOAILYNQLC-ARFHVFGLSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370202 937054212 /nfs/dbraw/zinc/05/42/12/937054212.db2.gz UKFDOBKTHSPDBB-ARFHVFGLSA-N 2 0 293.455 1.588 20 30 CDEDRP C#CC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CCC)[C@H](C)C1 ZINC001102522772 937062908 /nfs/dbraw/zinc/06/29/08/937062908.db2.gz BASFRMRHBLHSGS-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001086197741 926814075 /nfs/dbraw/zinc/81/40/75/926814075.db2.gz YPWWUTNRFFEKMT-SCUASFONSA-N 2 0 299.846 1.421 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086456100 927150535 /nfs/dbraw/zinc/15/05/35/927150535.db2.gz QQEZQIASNPIWJD-JYJNAYRXSA-N 2 0 291.439 1.226 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001086506298 927232796 /nfs/dbraw/zinc/23/27/96/927232796.db2.gz RHKATZLNJTUTTO-JCNLHEQBSA-N 2 0 299.418 1.479 20 30 CDEDRP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](CC)CC)C1 ZINC001108286884 927269558 /nfs/dbraw/zinc/26/95/58/927269558.db2.gz FWFASIBSKLYTER-INIZCTEOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001086522941 927360504 /nfs/dbraw/zinc/36/05/04/927360504.db2.gz RJPYFGHOXGZLKM-KOMQPUFPSA-N 2 0 293.455 1.777 20 30 CDEDRP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001111789140 937232788 /nfs/dbraw/zinc/23/27/88/937232788.db2.gz ZEDXZOAJXQGACP-UXLLHSPISA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135095198 930048508 /nfs/dbraw/zinc/04/85/08/930048508.db2.gz AFFZWBRECRJSFJ-GJZGRUSLSA-N 2 0 279.428 1.675 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135095197 930050276 /nfs/dbraw/zinc/05/02/76/930050276.db2.gz AFFZWBRECRJSFJ-CABCVRRESA-N 2 0 279.428 1.675 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135372308 930174907 /nfs/dbraw/zinc/17/49/07/930174907.db2.gz QFLAOMJHJANSSH-QWHCGFSZSA-N 2 0 255.406 1.387 20 30 CDEDRP CC(C)C[C@@](C)(C[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884035154 930402170 /nfs/dbraw/zinc/40/21/70/930402170.db2.gz SSQGSRDMCXLZDT-AYDDYBHNSA-N 2 0 292.427 1.005 20 30 CDEDRP C=CCN(CC[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1)C(=O)OCC ZINC001205980908 930555548 /nfs/dbraw/zinc/55/55/48/930555548.db2.gz ALZVKEHASCGXOJ-HUUCEWRRSA-N 2 0 297.443 1.938 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135979644 930579067 /nfs/dbraw/zinc/57/90/67/930579067.db2.gz IBWNOWCJOWXAPG-KGLIPLIRSA-N 2 0 269.433 1.777 20 30 CDEDRP C=CC[NH2+]CCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001153266388 937435589 /nfs/dbraw/zinc/43/55/89/937435589.db2.gz IHCWFDFXLUROPL-UHFFFAOYSA-N 2 0 279.384 1.627 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146535703 932262617 /nfs/dbraw/zinc/26/26/17/932262617.db2.gz MVIVHASIRHFWIT-CABCVRRESA-N 2 0 279.428 1.369 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001147410704 932503220 /nfs/dbraw/zinc/50/32/20/932503220.db2.gz TYFKAXYKNYYINR-QGZVFWFLSA-N 2 0 287.407 1.193 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)CC[N@@H+](C)CCC ZINC001148570349 932743204 /nfs/dbraw/zinc/74/32/04/932743204.db2.gz BJSQQBIFTOFQDA-CQSZACIVSA-N 2 0 269.433 1.779 20 30 CDEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001086882682 932837003 /nfs/dbraw/zinc/83/70/03/932837003.db2.gz FKSCCARDDNXLHD-XHSDSOJGSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCCCCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155814136 937676743 /nfs/dbraw/zinc/67/67/43/937676743.db2.gz WNBRBEABLBEHDN-HNNXBMFYSA-N 2 0 281.444 1.923 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)CCN1CCOCC1 ZINC001155857438 937682638 /nfs/dbraw/zinc/68/26/38/937682638.db2.gz UCZQRNJTZDBWNB-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001156016614 937694660 /nfs/dbraw/zinc/69/46/60/937694660.db2.gz IRLYVGCNBBLRAQ-GFCCVEGCSA-N 2 0 264.373 1.355 20 30 CDEDRP C=C[C@H](O)CN(CC[NH+](CC)CC)CC[NH+](CC)CC ZINC001253584932 935267803 /nfs/dbraw/zinc/26/78/03/935267803.db2.gz SOMUHYPQEWUINV-INIZCTEOSA-N 2 0 285.476 1.519 20 30 CDEDRP C#CC[NH+]1CCC(OC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001123250421 936132407 /nfs/dbraw/zinc/13/24/07/936132407.db2.gz MWQKENGUWABXNT-UHFFFAOYSA-N 2 0 297.358 1.897 20 30 CDEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409103 938364107 /nfs/dbraw/zinc/36/41/07/938364107.db2.gz CUWWEYQZXQUMPJ-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158202205 938594934 /nfs/dbraw/zinc/59/49/34/938594934.db2.gz GXDFTJYYYRTBRA-OAHLLOKOSA-N 2 0 279.428 1.390 20 30 CDEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158446448 938626816 /nfs/dbraw/zinc/62/68/16/938626816.db2.gz ZMCGNWVBOHNWNI-MRXNPFEDSA-N 2 0 293.455 1.664 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NCCC[NH2+]CC(CC)CC ZINC001160209840 938775409 /nfs/dbraw/zinc/77/54/09/938775409.db2.gz YLHFUKIJMZOOFJ-INIZCTEOSA-N 2 0 293.455 1.616 20 30 CDEDRP N#CCc1ccnc(-n2cc(CC[NH3+])c3c[nH+]ccc32)c1 ZINC001160950359 938847680 /nfs/dbraw/zinc/84/76/80/938847680.db2.gz LJOIOEWKNDGZFN-UHFFFAOYSA-N 2 0 277.331 1.988 20 30 CDEDRP C=CC[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161090246 938870485 /nfs/dbraw/zinc/87/04/85/938870485.db2.gz RURQBJJHUPHLEM-UHFFFAOYSA-N 2 0 265.401 1.263 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001165764131 939576714 /nfs/dbraw/zinc/57/67/14/939576714.db2.gz MRHCXTSHLFUBCF-HNNXBMFYSA-N 2 0 291.439 1.370 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001165775888 939577083 /nfs/dbraw/zinc/57/70/83/939577083.db2.gz BDUZXBWFTLBGCM-HNNXBMFYSA-N 2 0 291.439 1.370 20 30 CDEDRP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203793742 939704943 /nfs/dbraw/zinc/70/49/43/939704943.db2.gz TVQLFMNWGRYJTJ-CABCVRRESA-N 2 0 291.439 1.367 20 30 CDEDRP C=CCOc1cccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205242568 939841818 /nfs/dbraw/zinc/84/18/18/939841818.db2.gz YDUIAHBFJTYGQL-KRWDZBQOSA-N 2 0 290.407 1.927 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001205483534 939892283 /nfs/dbraw/zinc/89/22/83/939892283.db2.gz HQGYCWHPPLLKNS-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001206275617 940010174 /nfs/dbraw/zinc/01/01/74/940010174.db2.gz XBILOKSMEJGGOK-HNNXBMFYSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207600902 940220052 /nfs/dbraw/zinc/22/00/52/940220052.db2.gz CGWSUWWTNJWADV-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208013706 940279234 /nfs/dbraw/zinc/27/92/34/940279234.db2.gz JJWBRDOVFXUPQE-HZPDHXFCSA-N 2 0 291.439 1.463 20 30 CDEDRP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209634324 940620464 /nfs/dbraw/zinc/62/04/64/940620464.db2.gz CWHWUWYTRZZKEC-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210217721 940672802 /nfs/dbraw/zinc/67/28/02/940672802.db2.gz LZGQOCWBGLBNOK-CYBMUJFWSA-N 2 0 287.835 1.661 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211090259 940730208 /nfs/dbraw/zinc/73/02/08/940730208.db2.gz ITVDSJFLYAZEPK-AWEZNQCLSA-N 2 0 265.401 1.239 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001211257005 940742537 /nfs/dbraw/zinc/74/25/37/940742537.db2.gz OAFMBFCYGQLYIG-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214855602 940841813 /nfs/dbraw/zinc/84/18/13/940841813.db2.gz HWWSVBPEEGAQJA-BMFZPTHFSA-N 2 0 293.455 1.729 20 30 CDEDRP C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000402353872 940895040 /nfs/dbraw/zinc/89/50/40/940895040.db2.gz SVGNZZSBIXAHEI-KCXAZCMYSA-N 2 0 273.380 1.508 20 30 CDEDRP C[C@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)c1cccc(C#N)c1 ZINC001220046752 941407657 /nfs/dbraw/zinc/40/76/57/941407657.db2.gz CDOBLMWWLIFEPZ-XHDPSFHLSA-N 2 0 286.379 1.062 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC(C)C)[NH2+]C ZINC001220868102 941479162 /nfs/dbraw/zinc/47/91/62/941479162.db2.gz BEZCOCLUSUDFIG-KBPBESRZSA-N 2 0 267.417 1.387 20 30 CDEDRP CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001221292628 941513422 /nfs/dbraw/zinc/51/34/22/941513422.db2.gz PUXLWPVHYQDHRD-ZFWWWQNUSA-N 2 0 282.432 1.490 20 30 CDEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001221642788 941544293 /nfs/dbraw/zinc/54/42/93/941544293.db2.gz HDSFYOLMNJHLNL-BZUAXINKSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001225167996 941827592 /nfs/dbraw/zinc/82/75/92/941827592.db2.gz ITDAGPPAJQLLPI-MRXNPFEDSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CCC[NH+]1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230366800 942612307 /nfs/dbraw/zinc/61/23/07/942612307.db2.gz IMESOXIMKDIMRB-UHFFFAOYSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001235515889 944182343 /nfs/dbraw/zinc/18/23/43/944182343.db2.gz UNDMPPSHQUBBQR-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[NH2+]CCN(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236559261 944510831 /nfs/dbraw/zinc/51/08/31/944510831.db2.gz CYBDBWUNITVOKW-QAQDUYKDSA-N 2 0 288.439 1.929 20 30 CDEDRP N#Cc1c2c(cnc1C1=CCC[NH2+]C1)C[NH2+]CCC2 ZINC001240646231 945969841 /nfs/dbraw/zinc/96/98/41/945969841.db2.gz SHTFXQJQOSEPAY-UHFFFAOYSA-N 2 0 254.337 1.366 20 30 CDEDRP C[NH+]1CCC(C#N)(N[C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254847604 947627120 /nfs/dbraw/zinc/62/71/20/947627120.db2.gz GQMDPVIUHUQQKI-CQSZACIVSA-N 2 0 262.401 1.048 20 30 CDEDRP CCCCCCCC[C@@H](O)C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001245987217 947882219 /nfs/dbraw/zinc/88/22/19/947882219.db2.gz XVNBJJLCSRXWFC-KBXIAJHMSA-N 2 0 254.418 1.905 20 30 CDEDRP C=C[C@](C)(O)C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001246031451 947911075 /nfs/dbraw/zinc/91/10/75/947911075.db2.gz IJIVWUHGBNYMKD-GJZGRUSLSA-N 2 0 252.402 1.778 20 30 CDEDRP N#CC1CCC([N@@H+]2CCC[C@](O)(C[NH3+])CC2)CC1 ZINC001246543426 948246676 /nfs/dbraw/zinc/24/66/76/948246676.db2.gz NDKWAXAVQXNHGL-JXQTWKCFSA-N 2 0 251.374 1.244 20 30 CDEDRP C=CCOCc1nn([C@H]2CC[NH2+][C@H](C)C2)c2c1C[NH2+]C2 ZINC001246704022 948411549 /nfs/dbraw/zinc/41/15/49/948411549.db2.gz UBMIOPSUFVCFHD-NEPJUHHUSA-N 2 0 276.384 1.502 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])NC1CCC(C#N)CC1 ZINC001256963229 948464772 /nfs/dbraw/zinc/46/47/72/948464772.db2.gz FIEWTWZIKYPZGO-UHFFFAOYSA-N 2 0 265.405 1.525 20 30 CDEDRP C[C@@H]1C[C@H]([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC[NH2+]1 ZINC001246836756 948468386 /nfs/dbraw/zinc/46/83/86/948468386.db2.gz MQMFQDRTBBDOQY-GDBMZVCRSA-N 2 0 299.422 1.606 20 30 CDEDRP CCCCCCC[C@H](C)[NH2+]CCN(CC[NH3+])N(O)N=O ZINC001258041107 948692909 /nfs/dbraw/zinc/69/29/09/948692909.db2.gz MNGMOHWRALLIBK-ZDUSSCGKSA-N 2 0 289.424 1.873 20 30 CDEDRP COC(=O)CC[C@@H](C)[NH+]=C(C)NCc1cccc(C[NH3+])c1 ZINC001258364637 948788842 /nfs/dbraw/zinc/78/88/42/948788842.db2.gz RCSXIBLDTUJRAF-GFCCVEGCSA-N 2 0 291.395 1.995 20 30 CDEDRP C#CCOC[C@@H](O)C[NH2+]CC1CC[NH+](CCCC)CC1 ZINC001251896770 950932785 /nfs/dbraw/zinc/93/27/85/950932785.db2.gz NGVYIROXYZODNR-INIZCTEOSA-N 2 0 282.428 1.099 20 30 CDEDRP C#CCOC[C@@H](O)C[NH2+]C1CC[NH+](C(CC)CC)CC1 ZINC001251896392 950933178 /nfs/dbraw/zinc/93/31/78/950933178.db2.gz IFINXDXUYPDMNJ-INIZCTEOSA-N 2 0 282.428 1.240 20 30 CDEDRP C=C[C@](C)(O)C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001252572371 951464409 /nfs/dbraw/zinc/46/44/09/951464409.db2.gz PVBDWIYLYSIYJC-KFWWJZLASA-N 2 0 254.418 1.881 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001252604407 951500963 /nfs/dbraw/zinc/50/09/63/951500963.db2.gz RWNINOMVBVMLQZ-HNNXBMFYSA-N 2 0 275.396 1.839 20 30 CDEDRP CC(C)(C)[NH2+]C[C@@H](O)CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001253394085 951878080 /nfs/dbraw/zinc/87/80/80/951878080.db2.gz GAEGIBYCJREDCR-YIYPIFLZSA-N 2 0 265.401 1.502 20 30 CDEDRP C=C[C@@H](O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001253585393 951974342 /nfs/dbraw/zinc/97/43/42/951974342.db2.gz XCWNVNYNNAXWHV-IAGOWNOFSA-N 2 0 274.408 1.987 20 30 CDEDRP N#Cc1cccnc1NCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001325239459 953789524 /nfs/dbraw/zinc/78/95/24/953789524.db2.gz MUEIXPJWCRSCOX-CABCVRRESA-N 2 0 285.395 1.582 20 30 CDEDRP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001317796737 957669527 /nfs/dbraw/zinc/66/95/27/957669527.db2.gz DZEMXOSMBZOYTK-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001367127135 957693127 /nfs/dbraw/zinc/69/31/27/957693127.db2.gz WPDSLTOWKZKNMY-LBPRGKRZSA-N 2 0 287.835 1.565 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001436387543 962226083 /nfs/dbraw/zinc/22/60/83/962226083.db2.gz ABZHPPBRIXSPKF-MRVWCRGKSA-N 2 0 299.846 1.565 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001341695444 963513750 /nfs/dbraw/zinc/51/37/50/963513750.db2.gz FRDYHBJEAVUERX-CHWSQXEVSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001341892627 963573832 /nfs/dbraw/zinc/57/38/32/963573832.db2.gz IQCIUKZLUOACCJ-QWHCGFSZSA-N 2 0 265.401 1.461 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001343457670 963990224 /nfs/dbraw/zinc/99/02/24/963990224.db2.gz GYFMQAXHPULVQV-ZDUSSCGKSA-N 2 0 265.401 1.272 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001448677369 967205860 /nfs/dbraw/zinc/20/58/60/967205860.db2.gz IKXRHZBGIWFIAT-GFCCVEGCSA-N 2 0 287.835 1.660 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001002120043 967930970 /nfs/dbraw/zinc/93/09/70/967930970.db2.gz DTNLDSPFKKZTHZ-OAHLLOKOSA-N 2 0 279.428 1.342 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001100320768 968008862 /nfs/dbraw/zinc/00/88/62/968008862.db2.gz RLTXTODIPPKHKT-UYSNPLJNSA-N 2 0 293.455 1.920 20 30 CDEDRP C#CC[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC001521414047 970295019 /nfs/dbraw/zinc/29/50/19/970295019.db2.gz FPBAWRRBVLTFJL-UHFFFAOYSA-N 2 0 285.391 1.121 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)C1CC[NH+](C)CC1 ZINC001521518732 970309635 /nfs/dbraw/zinc/30/96/35/970309635.db2.gz HLHMMGLXKKFFNU-ZDUSSCGKSA-N 2 0 253.390 1.223 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001376946858 974826453 /nfs/dbraw/zinc/82/64/53/974826453.db2.gz XYQXYNPPXXFGRK-OLZOCXBDSA-N 2 0 287.835 1.517 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132111875 1163176910 /nfs/dbraw/zinc/17/69/10/1163176910.db2.gz XOMMRRQACPQDNT-CABCVRRESA-N 2 0 291.439 1.463 20 30 CDEDRP CC(C)[N@H+](C)C[C@@H](O)CN(C)Cc1ccc(C#N)cc1 ZINC000590603518 342577881 /nfs/dbraw/zinc/57/78/81/342577881.db2.gz ZZKNLQRGAHUEGP-INIZCTEOSA-N 2 0 275.396 1.691 20 30 CDEDRP C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1CCC[NH3+] ZINC000595257879 343013165 /nfs/dbraw/zinc/01/31/65/343013165.db2.gz AVXDWBSCWSUOQP-HZSPNIEDSA-N 2 0 280.416 1.374 20 30 CDEDRP CN(C[C@H]1CC[N@H+](C)C1)C([O-])=[NH+][C@H]1CCc2nc[nH]c2C1 ZINC000329733068 362029327 /nfs/dbraw/zinc/02/93/27/362029327.db2.gz JIMKEHGOJVDQDC-RYUDHWBXSA-N 2 0 291.399 1.065 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)o1 ZINC000600769018 349879184 /nfs/dbraw/zinc/87/91/84/349879184.db2.gz JBCINTRLIDTDPF-JKSUJKDBSA-N 2 0 289.379 1.870 20 30 CDEDRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)CC(C)(C)C#N)CCCO1 ZINC000598723514 343884725 /nfs/dbraw/zinc/88/47/25/343884725.db2.gz IXKQUOMLWJGHKX-HUUCEWRRSA-N 2 0 297.443 1.378 20 30 CDEDRP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000602083390 344328858 /nfs/dbraw/zinc/32/88/58/344328858.db2.gz XPUPZEHNWXHKQL-AWEZNQCLSA-N 2 0 280.416 1.165 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414195390 362928622 /nfs/dbraw/zinc/92/86/22/362928622.db2.gz OAWJUHPHGUOMJV-INIZCTEOSA-N 2 0 295.471 1.727 20 30 CDEDRP CCNC(=[NH2+])NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC000264071116 362957948 /nfs/dbraw/zinc/95/79/48/362957948.db2.gz DFZXPYUZWFFWRP-HNNXBMFYSA-N 2 0 276.428 1.864 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629576847 363035536 /nfs/dbraw/zinc/03/55/36/363035536.db2.gz DFXSZYKIYWAFGY-ZNMIVQPWSA-N 2 0 268.401 1.014 20 30 CDEDRP CN(C)C(=[NH+]CC1CCN(c2cc[nH+]cc2)CC1)N(C)C ZINC000179737819 357222735 /nfs/dbraw/zinc/22/27/35/357222735.db2.gz RHINAUAERQMHQJ-UHFFFAOYSA-N 2 0 289.427 1.777 20 30 CDEDRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000181721442 357376789 /nfs/dbraw/zinc/37/67/89/357376789.db2.gz MBCULQYYCSXUAY-LSDHHAIUSA-N 2 0 286.423 1.845 20 30 CDEDRP COCC[N@H+](C)CCC[NH2+]Cc1cccc(C#N)c1 ZINC000075800072 358733125 /nfs/dbraw/zinc/73/31/25/358733125.db2.gz QOWKUFFMWUZZDL-UHFFFAOYSA-N 2 0 261.369 1.616 20 30 CDEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000562665579 361680052 /nfs/dbraw/zinc/68/00/52/361680052.db2.gz IJOFLRVGRPWXKQ-CABCVRRESA-N 2 0 250.386 1.794 20 30 CDEDRP C=C[C@@H](CC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000570634699 363835379 /nfs/dbraw/zinc/83/53/79/363835379.db2.gz DXVPOSVDUIYOMJ-HOCLYGCPSA-N 2 0 287.407 1.448 20 30 CDEDRP N#CC1(NC(=O)C[N@H+](CCC[NH3+])CC2CCCC2)CCC1 ZINC001580040033 1172329731 /nfs/dbraw/zinc/32/97/31/1172329731.db2.gz CPWOCRGHNBKMEA-UHFFFAOYSA-N 2 0 292.427 1.390 20 30 CDEDRP C[N@@H+]1CCN(CC[NH2+]Cc2cc(C#N)cs2)CC1(C)C ZINC000441337634 370109050 /nfs/dbraw/zinc/10/90/50/370109050.db2.gz BLVUYZMOLWCYOO-UHFFFAOYSA-N 2 0 292.452 1.735 20 30 CDEDRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000573558585 371580346 /nfs/dbraw/zinc/58/03/46/371580346.db2.gz WFYDHSCBEQNZKM-MRXNPFEDSA-N 2 0 291.443 1.437 20 30 CDEDRP COc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)ccc1C#N ZINC000414911953 374221955 /nfs/dbraw/zinc/22/19/55/374221955.db2.gz HKFAMGPBDGHXGM-UONOGXRCSA-N 2 0 259.353 1.926 20 30 CDEDRP COc1ccc(C#N)cc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000131551561 375286173 /nfs/dbraw/zinc/28/61/73/375286173.db2.gz BCQQCARSCDVTJG-ZIAGYGMSSA-N 2 0 257.337 1.218 20 30 CDEDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000248799771 377329328 /nfs/dbraw/zinc/32/93/28/377329328.db2.gz JNXAQUBSJYYPDC-OAGGEKHMSA-N 2 0 278.444 1.684 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC[C@@H](C)C[NH+]1CCCC1 ZINC000103338420 390476400 /nfs/dbraw/zinc/47/64/00/390476400.db2.gz VFRFVZMOWCHHPC-CYBMUJFWSA-N 2 0 278.400 1.677 20 30 CDEDRP C=CCC[C@H](O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374423651 391161915 /nfs/dbraw/zinc/16/19/15/391161915.db2.gz XDBBLVVNXZIZGV-CAOSSQGBSA-N 2 0 282.428 1.497 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000491663302 391191498 /nfs/dbraw/zinc/19/14/98/391191498.db2.gz PITSHYCJUDSENF-OAHLLOKOSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)[C@H](C)C[NH3+])C(C)C ZINC000417067384 391341806 /nfs/dbraw/zinc/34/18/06/391341806.db2.gz RDTCSQFFIWROMM-CABCVRRESA-N 2 0 296.459 1.674 20 30 CDEDRP C=CCOCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000348043382 391413474 /nfs/dbraw/zinc/41/34/74/391413474.db2.gz GVMFCLWQFPEHQC-IRXDYDNUSA-N 2 0 295.471 1.537 20 30 CDEDRP CNC(NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)=[NH+]C ZINC000069736830 391998299 /nfs/dbraw/zinc/99/82/99/391998299.db2.gz OIEMIQQZXXSZME-HNNXBMFYSA-N 2 0 274.412 1.927 20 30 CDEDRP C=CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)C(C)(C)C ZINC000661754785 414336421 /nfs/dbraw/zinc/33/64/21/414336421.db2.gz ASJUPSDBIPLGPH-UHFFFAOYSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000341088052 263321693 /nfs/dbraw/zinc/32/16/93/263321693.db2.gz JXZUSHONWKSDRR-DZGCQCFKSA-N 2 0 294.443 1.419 20 30 CDEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])Nc1ccccc1 ZINC000267824584 328180468 /nfs/dbraw/zinc/18/04/68/328180468.db2.gz APHPVDNJDRAROA-CQSZACIVSA-N 2 0 278.400 1.770 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000171725540 329079284 /nfs/dbraw/zinc/07/92/84/329079284.db2.gz FFRKJPAAZKZCKZ-CQSZACIVSA-N 2 0 280.416 1.030 20 30 CDEDRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185774193 329331589 /nfs/dbraw/zinc/33/15/89/329331589.db2.gz DSIWWDXYDAXGTQ-ZBFHGGJFSA-N 2 0 278.444 1.684 20 30 CDEDRP C[NH+]=C(NCC1(C)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262354774 330007631 /nfs/dbraw/zinc/00/76/31/330007631.db2.gz FTGSJKPMYHAYLM-ZDUSSCGKSA-N 2 0 262.401 1.308 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CC(F)(F)C1 ZINC000262710747 330028321 /nfs/dbraw/zinc/02/83/21/330028321.db2.gz PJABWLOAKLERNX-NSHDSACASA-N 2 0 274.359 1.420 20 30 CDEDRP C=CC[NH+]1CCC(N[C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422854687 330157854 /nfs/dbraw/zinc/15/78/54/330157854.db2.gz BFMKSRXAQXOSKO-DZGCQCFKSA-N 2 0 251.418 1.757 20 30 CDEDRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])CCCC#N)C[C@@H]1C ZINC000424142134 330284107 /nfs/dbraw/zinc/28/41/07/330284107.db2.gz HXMKIRYFIAICML-MELADBBJSA-N 2 0 280.416 1.339 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000491765412 332333840 /nfs/dbraw/zinc/33/38/40/332333840.db2.gz DDAGSUMVUJPZJX-KKUMJFAQSA-N 2 0 279.428 1.319 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001698553920 1175837739 /nfs/dbraw/zinc/83/77/39/1175837739.db2.gz XHIQCDFTZBNNDJ-CQSZACIVSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCCC[NH2+][C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001752884983 1159970664 /nfs/dbraw/zinc/97/06/64/1159970664.db2.gz QZKCRTXIEZZWGE-OAHLLOKOSA-N 2 0 293.455 1.923 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001483934269 1161242536 /nfs/dbraw/zinc/24/25/36/1161242536.db2.gz LFMFASLCPXYAJR-QWHCGFSZSA-N 2 0 253.390 1.093 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000764540277 575919686 /nfs/dbraw/zinc/91/96/86/575919686.db2.gz MQINMUWNGANIPV-CYBMUJFWSA-N 2 0 269.433 1.587 20 30 CDEDRP C#CCC[NH+]1CCCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000981340720 613002451 /nfs/dbraw/zinc/00/24/51/613002451.db2.gz KEDPCPKRVAHXQI-UHFFFAOYSA-N 2 0 277.412 1.028 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000980483324 613095713 /nfs/dbraw/zinc/09/57/13/613095713.db2.gz NEWOUFWXSSFWCT-INIZCTEOSA-N 2 0 299.418 1.528 20 30 CDEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000969968172 613249405 /nfs/dbraw/zinc/24/94/05/613249405.db2.gz HUYCSLURERIPBT-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000972070415 613282807 /nfs/dbraw/zinc/28/28/07/613282807.db2.gz OFGLTTUUCJTRFB-OAHLLOKOSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972235599 613288272 /nfs/dbraw/zinc/28/82/72/613288272.db2.gz QMPXEEHQAAQYBC-HNNXBMFYSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981525834 613347437 /nfs/dbraw/zinc/34/74/37/613347437.db2.gz ZWWDYMFHNIYOML-HUUCEWRRSA-N 2 0 279.428 1.675 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000981341189 613493214 /nfs/dbraw/zinc/49/32/14/613493214.db2.gz WOBQIAPCMSIXTM-UHFFFAOYSA-N 2 0 279.428 1.581 20 30 CDEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000969144808 613545154 /nfs/dbraw/zinc/54/51/54/613545154.db2.gz UKIQVEDUSYKXQL-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000971641848 613631215 /nfs/dbraw/zinc/63/12/15/613631215.db2.gz OLAPVKYRXKSCNE-GJZGRUSLSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000971567660 613633655 /nfs/dbraw/zinc/63/36/55/613633655.db2.gz UCVQSXHAZPHNPZ-SOUVJXGZSA-N 2 0 279.428 1.435 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000971871763 613638807 /nfs/dbraw/zinc/63/88/07/613638807.db2.gz JGXZWSAZGBEHHJ-AWEZNQCLSA-N 2 0 284.363 1.667 20 30 CDEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000970928883 613668641 /nfs/dbraw/zinc/66/86/41/613668641.db2.gz NMUULFKIMFGTCK-ZFWWWQNUSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000948553188 613704834 /nfs/dbraw/zinc/70/48/34/613704834.db2.gz FMOBUQLRRQRMRU-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942517723 613791491 /nfs/dbraw/zinc/79/14/91/613791491.db2.gz FEHQPEAVHSANQV-CJNGLKHVSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000969051565 613863237 /nfs/dbraw/zinc/86/32/37/613863237.db2.gz MILKFGLHGRBZQW-CQSZACIVSA-N 2 0 277.412 1.239 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000968824731 613868227 /nfs/dbraw/zinc/86/82/27/613868227.db2.gz HUIMIOFYLLHJOD-CYBMUJFWSA-N 2 0 293.436 1.800 20 30 CDEDRP CC(C)NC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000104178951 618055361 /nfs/dbraw/zinc/05/53/61/618055361.db2.gz BGQNIMUZHQZVOK-GFCCVEGCSA-N 2 0 254.422 1.810 20 30 CDEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCC[C@H](C)C2)C1 ZINC000104179687 618057425 /nfs/dbraw/zinc/05/74/25/618057425.db2.gz QGCLHESWZNYRFX-KBPBESRZSA-N 2 0 266.433 1.765 20 30 CDEDRP C#CCn1ccc(C[N@H+](CC)CC2CC[NH+](C)CC2)n1 ZINC000894109218 618431799 /nfs/dbraw/zinc/43/17/99/618431799.db2.gz KHEKOCVFJBBUNY-UHFFFAOYSA-N 2 0 274.412 1.680 20 30 CDEDRP C=C1CCC(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000896683069 620191903 /nfs/dbraw/zinc/19/19/03/620191903.db2.gz ZNBMHXRLCWGQLD-UHFFFAOYSA-N 2 0 281.444 1.685 20 30 CDEDRP N#CC1(CCCC[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CCC1 ZINC000903748982 626071846 /nfs/dbraw/zinc/07/18/46/626071846.db2.gz FDHNJBZTXWQYLW-MRXNPFEDSA-N 2 0 290.455 1.830 20 30 CDEDRP C[C@@H]1[C@H]([NH3+])CCCN1c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001157731912 1162359945 /nfs/dbraw/zinc/35/99/45/1162359945.db2.gz GLZFKZWCTPJTKB-IAQYHMDHSA-N 2 0 285.395 1.305 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435953 1162473662 /nfs/dbraw/zinc/47/36/62/1162473662.db2.gz KPKFQJXCTJSEME-JSGCOSHPSA-N 2 0 267.417 1.387 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130189808 1162565864 /nfs/dbraw/zinc/56/58/64/1162565864.db2.gz SGCLBUSYIIKBQI-HUUCEWRRSA-N 2 0 279.428 1.675 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001224570561 1160771680 /nfs/dbraw/zinc/77/16/80/1160771680.db2.gz XYTKVVZCSHUUFX-UHFFFAOYSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132266764 1163221118 /nfs/dbraw/zinc/22/11/18/1163221118.db2.gz ZWAJZYSWAPWCAM-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133092235 1163569321 /nfs/dbraw/zinc/56/93/21/1163569321.db2.gz ZBKZTWFFOYCUIC-CABCVRRESA-N 2 0 281.444 1.588 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133819528 1163907907 /nfs/dbraw/zinc/90/79/07/1163907907.db2.gz FRXAHAYTMYVPCT-HNNXBMFYSA-N 2 0 281.444 1.923 20 30 CDEDRP C=CCN(C)CC[N@@H+](CC)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC001574920918 1171049663 /nfs/dbraw/zinc/04/96/63/1171049663.db2.gz MZKAUBASGIRNRC-HZPDHXFCSA-N 2 0 281.444 1.195 20 30 CDEDRP C=CCN1CC[C@H]([NH+]2CCC3(CCC[C@H]3C[NH3+])CC2)C1=O ZINC001574936958 1171054879 /nfs/dbraw/zinc/05/48/79/1171054879.db2.gz QGEHFJYVXGJUSH-GJZGRUSLSA-N 2 0 291.439 1.614 20 30 CDEDRP CC#CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001574973402 1171071295 /nfs/dbraw/zinc/07/12/95/1171071295.db2.gz VGSXFOFNYGZPLZ-SJORKVTESA-N 2 0 299.418 1.508 20 30 CDEDRP COc1ccc(C[NH2+]Cc2c(C[NH3+])cnn2C)cc1C#N ZINC001579218068 1172118865 /nfs/dbraw/zinc/11/88/65/1172118865.db2.gz QROWFUUVEDTFBL-UHFFFAOYSA-N 2 0 285.351 1.049 20 30 CDEDRP CN(CC[NH2+]CC#Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001664115431 1172811184 /nfs/dbraw/zinc/81/11/84/1172811184.db2.gz BOPWDCXAUPXVSD-QGZVFWFLSA-N 2 0 299.418 1.180 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001752687597 1184893829 /nfs/dbraw/zinc/89/38/29/1184893829.db2.gz VSZHBFVPVZMYIE-JYJNAYRXSA-N 2 0 293.455 1.920 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001752774056 1184908077 /nfs/dbraw/zinc/90/80/77/1184908077.db2.gz IBVVTPHHIQVKDX-SOUVJXGZSA-N 2 0 279.428 1.674 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001752806990 1184919342 /nfs/dbraw/zinc/91/93/42/1184919342.db2.gz WLVKSDOOAZFRDR-CVEARBPZSA-N 2 0 291.439 1.180 20 30 CDEDRP C#CC[NH2+]C[C@@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001753524497 1185247788 /nfs/dbraw/zinc/24/77/88/1185247788.db2.gz FTCIAIGNNFYWLQ-QGZVFWFLSA-N 2 0 293.455 1.472 20 30 CDEDRP CC#CC[N@H+](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001754335218 1185586374 /nfs/dbraw/zinc/58/63/74/1185586374.db2.gz AFPQFAMWIDYZQP-HNNXBMFYSA-N 2 0 279.428 1.322 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1CC ZINC001754471082 1185630125 /nfs/dbraw/zinc/63/01/25/1185630125.db2.gz VESYIQLSBMCILZ-JKSUJKDBSA-N 2 0 293.455 1.568 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001754531682 1185662462 /nfs/dbraw/zinc/66/24/62/1185662462.db2.gz KDZQSNXXEFFTKJ-MRXNPFEDSA-N 2 0 299.418 1.551 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001754544518 1185664136 /nfs/dbraw/zinc/66/41/36/1185664136.db2.gz XCUYLOBXOVEPHC-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001755188509 1185844564 /nfs/dbraw/zinc/84/45/64/1185844564.db2.gz GUTHHRLDKKYPCJ-UONOGXRCSA-N 2 0 265.401 1.189 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001755315385 1185912030 /nfs/dbraw/zinc/91/20/30/1185912030.db2.gz ONRTUWNTWWEPFQ-HUUCEWRRSA-N 2 0 283.460 1.975 20 30 CDEDRP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001755526187 1185979855 /nfs/dbraw/zinc/97/98/55/1185979855.db2.gz BWCXLLJHHWIFPU-HOTGVXAUSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001755724935 1186048298 /nfs/dbraw/zinc/04/82/98/1186048298.db2.gz ZXGOWBXAIPSZAV-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052932462 796589689 /nfs/dbraw/zinc/58/96/89/796589689.db2.gz ODNNNFCKLJGRAE-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP CN1CC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000776154751 796596040 /nfs/dbraw/zinc/59/60/40/796596040.db2.gz BHAZNIWGCBQFDO-GOSISDBHSA-N 2 0 298.434 1.816 20 30 CDEDRP CC(C)[NH+](CCNC(=[NH2+])N1CCCCC1)C(C)C ZINC000303722632 796684114 /nfs/dbraw/zinc/68/41/14/796684114.db2.gz YKTVGAMPHJSSBI-UHFFFAOYSA-N 2 0 254.422 1.906 20 30 CDEDRP C#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014726293 797049403 /nfs/dbraw/zinc/04/94/03/797049403.db2.gz FIYFQSRDHWAFLH-LSDHHAIUSA-N 2 0 277.412 1.073 20 30 CDEDRP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001041688990 797060514 /nfs/dbraw/zinc/06/05/14/797060514.db2.gz ZEGMSYMLDUHCGT-DOTOQJQBSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000303781924 797149434 /nfs/dbraw/zinc/14/94/34/797149434.db2.gz MRIDYIIKORYSQA-ZDUSSCGKSA-N 2 0 252.406 1.587 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014723397 797244985 /nfs/dbraw/zinc/24/49/85/797244985.db2.gz OWLCEAHNBOZNDS-HZPDHXFCSA-N 2 0 291.439 1.463 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H](C)C[NH+]1CCCCC1 ZINC000303871789 797313045 /nfs/dbraw/zinc/31/30/45/797313045.db2.gz GBJGBZUDVLPRMV-OLZOCXBDSA-N 2 0 270.421 1.048 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001076241414 797362447 /nfs/dbraw/zinc/36/24/47/797362447.db2.gz OFIFEIJFBZEBNO-HRCADAONSA-N 2 0 291.439 1.580 20 30 CDEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001072800192 797543502 /nfs/dbraw/zinc/54/35/02/797543502.db2.gz HKVDIHHIFQQDFC-OAHLLOKOSA-N 2 0 289.423 1.028 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001006916712 797818108 /nfs/dbraw/zinc/81/81/08/797818108.db2.gz MYDDLXWPRJIKGT-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C[C@H]1C[C@@H](C[NH+]2CCN(c3ccc(C#N)nc3)CC2)CC[NH2+]1 ZINC000873228026 797818404 /nfs/dbraw/zinc/81/84/04/797818404.db2.gz QFKCQZQFCMZARP-GJZGRUSLSA-N 2 0 299.422 1.463 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555991 797850341 /nfs/dbraw/zinc/85/03/41/797850341.db2.gz WPMHZMSXDBYIQH-HNNXBMFYSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCC[N@@H+]1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000989737305 797883063 /nfs/dbraw/zinc/88/30/63/797883063.db2.gz MZILYEYYANKLCB-UHFFFAOYSA-N 2 0 293.455 1.973 20 30 CDEDRP CNC(=[NH2+])N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000261749933 797939690 /nfs/dbraw/zinc/93/96/90/797939690.db2.gz LSQJDNCWYCKYIA-UHFFFAOYSA-N 2 0 266.433 1.763 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001031850069 797983849 /nfs/dbraw/zinc/98/38/49/797983849.db2.gz OCECKJLADLRSKS-UHFFFAOYSA-N 2 0 284.363 1.572 20 30 CDEDRP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001210528841 1167361900 /nfs/dbraw/zinc/36/19/00/1167361900.db2.gz JLIPHCRERKEBMQ-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001566879710 1168455969 /nfs/dbraw/zinc/45/59/69/1168455969.db2.gz RZVLICKZFDTROR-HUUCEWRRSA-N 2 0 279.428 1.178 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001014957593 912574254 /nfs/dbraw/zinc/57/42/54/912574254.db2.gz ADISFMINHHFRPZ-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175042474 913442453 /nfs/dbraw/zinc/44/24/53/913442453.db2.gz UUQJBWJKARCMCD-AWEZNQCLSA-N 2 0 279.428 1.226 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001167237181 894933571 /nfs/dbraw/zinc/93/35/71/894933571.db2.gz WPWCRMKPIQXHJF-CABCVRRESA-N 2 0 293.455 1.636 20 30 CDEDRP C=CCC[NH+]1CCCO[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001150547208 913942708 /nfs/dbraw/zinc/94/27/08/913942708.db2.gz OTPVBHJPCIAKHX-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001022341369 896298641 /nfs/dbraw/zinc/29/86/41/896298641.db2.gz YAOOQFOAJXKTJD-BETUJISGSA-N 2 0 284.363 1.679 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023377189 897534895 /nfs/dbraw/zinc/53/48/95/897534895.db2.gz HANIWGLCBVIYPS-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105008328 899781859 /nfs/dbraw/zinc/78/18/59/899781859.db2.gz YKJZNTXSVKQLDR-KFWWJZLASA-N 2 0 279.428 1.198 20 30 CDEDRP N#Cc1cc2[nH]ccc2c(NC(=[NH2+])NCCCC[NH3+])c1 ZINC001167881395 901632151 /nfs/dbraw/zinc/63/21/51/901632151.db2.gz FTCOUNWRWOYZRE-UHFFFAOYSA-N 2 0 270.340 1.715 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)C1([NH+](C)C)CCC1 ZINC001481819406 902176656 /nfs/dbraw/zinc/17/66/56/902176656.db2.gz WHRBYPBWZCSXDU-GFCCVEGCSA-N 2 0 287.835 1.708 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1CC ZINC001087712297 905781606 /nfs/dbraw/zinc/78/16/06/905781606.db2.gz ZZJWCIKJEIVKIB-JKSUJKDBSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001168147551 907477100 /nfs/dbraw/zinc/47/71/00/907477100.db2.gz TZNNHYBNVCCHCI-AWEZNQCLSA-N 2 0 279.428 1.390 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001003775853 921436326 /nfs/dbraw/zinc/43/63/26/921436326.db2.gz BRNWENHXVVSWHK-HZPDHXFCSA-N 2 0 289.423 1.217 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001088770318 909379447 /nfs/dbraw/zinc/37/94/47/909379447.db2.gz IPHSAWJCUNIUMG-VNQPRFMTSA-N 2 0 291.439 1.626 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092611528 909464228 /nfs/dbraw/zinc/46/42/28/909464228.db2.gz ZLXHLVKWAUSGFH-FVQBIDKESA-N 2 0 291.439 1.198 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001003968633 921542223 /nfs/dbraw/zinc/54/22/23/921542223.db2.gz SBRHRRJPWOHXFB-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C[C@H](CCCC#N)[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001172488738 911727468 /nfs/dbraw/zinc/72/74/68/911727468.db2.gz VUJOXASLJRZKRZ-RBSFLKMASA-N 2 0 294.443 1.647 20 30 CDEDRP C=C(C)CN1CC[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273031264 921691315 /nfs/dbraw/zinc/69/13/15/921691315.db2.gz WGXPHYIUQMJBRX-KRWDZBQOSA-N 2 0 291.439 1.487 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001088859072 911978156 /nfs/dbraw/zinc/97/81/56/911978156.db2.gz KPKATGKMJBSWPV-MCIONIFRSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033091802 921713954 /nfs/dbraw/zinc/71/39/54/921713954.db2.gz NAUPZDCQIUPDHK-QLFBSQMISA-N 2 0 279.428 1.435 20 30 CDEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001031713521 915014928 /nfs/dbraw/zinc/01/49/28/915014928.db2.gz AXRUDAQNRPUGSS-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001483940903 915215292 /nfs/dbraw/zinc/21/52/92/915215292.db2.gz IJFVSBIQUMYDJT-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC001179146288 915756842 /nfs/dbraw/zinc/75/68/42/915756842.db2.gz XNHMMLUQUOKFRC-BBRMVZONSA-N 2 0 296.374 1.550 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001179336777 915821534 /nfs/dbraw/zinc/82/15/34/915821534.db2.gz AYJGDRZWYYMCTO-KKUMJFAQSA-N 2 0 277.412 1.073 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001521686280 915841746 /nfs/dbraw/zinc/84/17/46/915841746.db2.gz LCJRSUCTXDZZEY-HNNXBMFYSA-N 2 0 279.428 1.661 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001179585052 915908738 /nfs/dbraw/zinc/90/87/38/915908738.db2.gz BIIRAMBEAFESOR-CABCVRRESA-N 2 0 279.428 1.084 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@@H](CC)[NH+]1CCCC1 ZINC000303900889 935047294 /nfs/dbraw/zinc/04/72/94/935047294.db2.gz SKZODLMYJLWNRX-CYBMUJFWSA-N 2 0 270.421 1.192 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680022 936396651 /nfs/dbraw/zinc/39/66/51/936396651.db2.gz FJUVAIIADZXNPO-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001182411157 917844037 /nfs/dbraw/zinc/84/40/37/917844037.db2.gz WYKXCTVLXVKQKY-NVXWUHKLSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@@H]1C ZINC001054798225 936472914 /nfs/dbraw/zinc/47/29/14/936472914.db2.gz RJNBWWJUDPCLAX-NHYWBVRUSA-N 2 0 284.363 1.799 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001183091569 918282785 /nfs/dbraw/zinc/28/27/85/918282785.db2.gz IPHDEQDMUBTHEL-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107582781 918466459 /nfs/dbraw/zinc/46/64/59/918466459.db2.gz VLGJQUXITOXATB-NVXWUHKLSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001000027464 936524561 /nfs/dbraw/zinc/52/45/61/936524561.db2.gz QDNNDGLOZSPZRJ-AWEZNQCLSA-N 2 0 291.395 1.721 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001001590044 936553131 /nfs/dbraw/zinc/55/31/31/936553131.db2.gz BLRHHYMFYFCDFC-UHFFFAOYSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001001594045 936553439 /nfs/dbraw/zinc/55/34/39/936553439.db2.gz DMCOOJHHNFFBBA-UHFFFAOYSA-N 2 0 298.390 1.962 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001185049098 919379675 /nfs/dbraw/zinc/37/96/75/919379675.db2.gz AHGIXZLPKUOZQC-LSDHHAIUSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001185027968 919385715 /nfs/dbraw/zinc/38/57/15/919385715.db2.gz BMWMDMZWQKOFJA-HOTGVXAUSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001185501833 919634239 /nfs/dbraw/zinc/63/42/39/919634239.db2.gz IZVHCKKEQRRYLY-HUUCEWRRSA-N 2 0 291.439 1.342 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999176378 919689291 /nfs/dbraw/zinc/68/92/91/919689291.db2.gz WJYCMJUKMKTYFN-JKSUJKDBSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001032665321 919697801 /nfs/dbraw/zinc/69/78/01/919697801.db2.gz PPEURHAAXOPDJG-HOTGVXAUSA-N 2 0 291.439 1.580 20 30 CDEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000834489498 936690950 /nfs/dbraw/zinc/69/09/50/936690950.db2.gz MZWFDQYMMYNHLA-HZPDHXFCSA-N 2 0 298.390 1.124 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)c1sccc1C[NH+](C)C ZINC001128539988 921995490 /nfs/dbraw/zinc/99/54/90/921995490.db2.gz NGYWYWOKCWHWFJ-UHFFFAOYSA-N 2 0 279.409 1.152 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001073457133 936725005 /nfs/dbraw/zinc/72/50/05/936725005.db2.gz BXPZMVOXHQTIJL-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033358986 922188104 /nfs/dbraw/zinc/18/81/04/922188104.db2.gz SQVMYORGRMALIO-HRCADAONSA-N 2 0 291.439 1.273 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001005399495 922389480 /nfs/dbraw/zinc/38/94/80/922389480.db2.gz TXNKVEWVLROKRU-INIZCTEOSA-N 2 0 291.439 1.437 20 30 CDEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191161512 922433655 /nfs/dbraw/zinc/43/36/55/922433655.db2.gz IYNYOWDNLNHEQO-OAHLLOKOSA-N 2 0 296.374 1.504 20 30 CDEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192398981 923075534 /nfs/dbraw/zinc/07/55/34/923075534.db2.gz UAUMZVMOGAUYRT-GJZGRUSLSA-N 2 0 281.444 1.826 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001192550916 923127421 /nfs/dbraw/zinc/12/74/21/923127421.db2.gz LZEKFGCTEUZCII-CYBMUJFWSA-N 2 0 262.357 1.061 20 30 CDEDRP C[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)CC[C@H]1C[NH3+] ZINC001205626814 923565134 /nfs/dbraw/zinc/56/51/34/923565134.db2.gz JMEAQDRWFCQLKR-JSGCOSHPSA-N 2 0 258.369 1.760 20 30 CDEDRP C#CCN1CCC[C@H](NC(=O)[C@H](C)[NH2+]C(C)(C)CC)C1 ZINC000923565872 923944009 /nfs/dbraw/zinc/94/40/09/923944009.db2.gz LMTRQKBAVXFCDE-KBPBESRZSA-N 2 0 279.428 1.367 20 30 CDEDRP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001568379203 1169267952 /nfs/dbraw/zinc/26/79/52/1169267952.db2.gz OKCCIDCBDFOEIF-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001100765836 936933621 /nfs/dbraw/zinc/93/36/21/936933621.db2.gz CTZKMHOTOPKHBN-GPANFISMSA-N 2 0 293.455 1.470 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001100785552 936937166 /nfs/dbraw/zinc/93/71/66/936937166.db2.gz PMEDBGNRDICJNX-UHFFFAOYSA-N 2 0 279.428 1.389 20 30 CDEDRP C=CCCC[N@@H+]1CCCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001196092660 924810023 /nfs/dbraw/zinc/81/00/23/924810023.db2.gz HRMMCUXPEPQZJT-UHFFFAOYSA-N 2 0 290.411 1.843 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001082747499 924984840 /nfs/dbraw/zinc/98/48/40/924984840.db2.gz WOEPEOZBRITQHT-MCIONIFRSA-N 2 0 267.417 1.339 20 30 CDEDRP C=C(C)C[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196943551 925019084 /nfs/dbraw/zinc/01/90/84/925019084.db2.gz QOZVCFQRTDIQAR-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP C#CCN1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001197133722 925051214 /nfs/dbraw/zinc/05/12/14/925051214.db2.gz DJHZYRZJODPHNW-OAHLLOKOSA-N 2 0 279.428 1.274 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084661972 925339606 /nfs/dbraw/zinc/33/96/06/925339606.db2.gz PZZDUGRTMFTVIC-RBSFLKMASA-N 2 0 277.412 1.047 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001084668165 925343433 /nfs/dbraw/zinc/34/34/33/925343433.db2.gz KZAWTCQMWDQRIO-QLFBSQMISA-N 2 0 279.428 1.435 20 30 CDEDRP C#CCC[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCCC1 ZINC001120207676 925677663 /nfs/dbraw/zinc/67/76/63/925677663.db2.gz ADFZMAFZRHRWRE-UHFFFAOYSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CCCC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001102497521 937060897 /nfs/dbraw/zinc/06/08/97/937060897.db2.gz WWTMVDTVGKCKDN-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799031 926410145 /nfs/dbraw/zinc/41/01/45/926410145.db2.gz HSLXOLZTMVQIGS-OAHLLOKOSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001201838423 926413791 /nfs/dbraw/zinc/41/37/91/926413791.db2.gz CDRAJKRWKJSPTI-UHFFFAOYSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001202170778 926486514 /nfs/dbraw/zinc/48/65/14/926486514.db2.gz ICAAHURVQJKNDQ-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001086085499 926676844 /nfs/dbraw/zinc/67/68/44/926676844.db2.gz HTRLLJNLIPMSHJ-JONQDZQNSA-N 2 0 291.439 1.531 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001086242535 926878578 /nfs/dbraw/zinc/87/85/78/926878578.db2.gz RJPYFGHOXGZLKM-FZNQNYSPSA-N 2 0 293.455 1.777 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000852357626 927776785 /nfs/dbraw/zinc/77/67/85/927776785.db2.gz FHJGUSGXCKXLSO-CQSZACIVSA-N 2 0 294.443 1.114 20 30 CDEDRP CCNC(NCC1CC[NH+](CC2CC2)CC1)=[NH+]CC ZINC000853013044 927932132 /nfs/dbraw/zinc/93/21/32/927932132.db2.gz MXVMVYMYIPMHRJ-UHFFFAOYSA-N 2 0 266.433 1.683 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001169947104 928539893 /nfs/dbraw/zinc/53/98/93/928539893.db2.gz AGVDTWBWPUAFQW-UHFFFAOYSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+](C)C)C2 ZINC001108801123 928637693 /nfs/dbraw/zinc/63/76/93/928637693.db2.gz UHZOVCXXWMXNSP-XHSDSOJGSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151353953 937281975 /nfs/dbraw/zinc/28/19/75/937281975.db2.gz GYOUAMCFFDOBLN-UHFFFAOYSA-N 2 0 287.835 1.711 20 30 CDEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001114997936 937315235 /nfs/dbraw/zinc/31/52/35/937315235.db2.gz NWGLTNKQVOWZAO-LJIGWXMPSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135308082 930140134 /nfs/dbraw/zinc/14/01/34/930140134.db2.gz NURVFMXTILYWKH-STQMWFEESA-N 2 0 255.406 1.387 20 30 CDEDRP C=CCC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000883186973 930159971 /nfs/dbraw/zinc/15/99/71/930159971.db2.gz CVLZLYYDANBPBD-YESZJQIVSA-N 2 0 295.471 1.726 20 30 CDEDRP CC[C@@]([NH3+])(CO)Nc1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001170864793 930514030 /nfs/dbraw/zinc/51/40/30/930514030.db2.gz WXUPOFQTRQKIMA-FBJMNJBLSA-N 2 0 275.356 1.249 20 30 CDEDRP C#CCN(C(=O)CC[NH2+]C(C)(C)C)C1CC[NH+](C)CC1 ZINC000886571048 930907063 /nfs/dbraw/zinc/90/70/63/930907063.db2.gz HBIOTJJYAXYWJF-UHFFFAOYSA-N 2 0 279.428 1.321 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153994310 937489507 /nfs/dbraw/zinc/48/95/07/937489507.db2.gz FYRYFTIVVFQWQT-OAHLLOKOSA-N 2 0 291.439 1.322 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000104160966 931321943 /nfs/dbraw/zinc/32/19/43/931321943.db2.gz LTWHKXGRXUQWTK-OLZOCXBDSA-N 2 0 270.421 1.046 20 30 CDEDRP C[NH+](C)CCN1CC2(C1)C[NH+](CCc1ccc(C#N)cc1)C2 ZINC001274920776 931611404 /nfs/dbraw/zinc/61/14/04/931611404.db2.gz OHOHYWDGNJLGNM-UHFFFAOYSA-N 2 0 298.434 1.280 20 30 CDEDRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cccc(C#N)n1)CC2 ZINC001275605425 931904173 /nfs/dbraw/zinc/90/41/73/931904173.db2.gz JXSQQERVTZQYSG-UHFFFAOYSA-N 2 0 270.380 1.871 20 30 CDEDRP N#CCC1CCC([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246638784 932157840 /nfs/dbraw/zinc/15/78/40/932157840.db2.gz TWRJEBDXSZNFJK-YMAMQOFZSA-N 2 0 262.401 1.096 20 30 CDEDRP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146340095 932241637 /nfs/dbraw/zinc/24/16/37/932241637.db2.gz OAJSECOZZBPLNA-CABCVRRESA-N 2 0 281.444 1.921 20 30 CDEDRP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146593573 932270501 /nfs/dbraw/zinc/27/05/01/932270501.db2.gz QCYLDKPDJPEAIS-HUUCEWRRSA-N 2 0 299.459 1.402 20 30 CDEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001111036010 933731964 /nfs/dbraw/zinc/73/19/64/933731964.db2.gz QZCQZQHWILLOAD-KBXIAJHMSA-N 2 0 279.428 1.624 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120005455 937772929 /nfs/dbraw/zinc/77/29/29/937772929.db2.gz QIRNYRDUDYIYPI-HNNXBMFYSA-N 2 0 293.455 1.923 20 30 CDEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NC[C@@H]2CCC[NH+]2CC)C1 ZINC000303873639 935045689 /nfs/dbraw/zinc/04/56/89/935045689.db2.gz GVEWPMRVVFLQNX-CABCVRRESA-N 3 0 295.475 1.107 20 30 CDEDRP CC[NH+]1CCC(CCNC(=[NH2+])N2CCSCC2)CC1 ZINC000304754325 935085907 /nfs/dbraw/zinc/08/59/07/935085907.db2.gz LUTREMGMZLUEME-UHFFFAOYSA-N 2 0 284.473 1.472 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCC1(C[NH+](C)C)CCCC1 ZINC000305806673 935218237 /nfs/dbraw/zinc/21/82/37/935218237.db2.gz GTOWRZVAJVEKSH-LBPRGKRZSA-N 2 0 270.421 1.048 20 30 CDEDRP C=CCC[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038671128 935233384 /nfs/dbraw/zinc/23/33/84/935233384.db2.gz PPICTOSISZONAA-AWEZNQCLSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008764836 935412919 /nfs/dbraw/zinc/41/29/19/935412919.db2.gz DCMVZQYJSAGEGR-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001009203803 935420643 /nfs/dbraw/zinc/42/06/43/935420643.db2.gz SMJSDHHQNOYWCC-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cn2ccnc2)C1 ZINC001009710110 935430327 /nfs/dbraw/zinc/43/03/27/935430327.db2.gz RNMPZHSPINXOGI-ZDUSSCGKSA-N 2 0 262.357 1.040 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015706796 935581560 /nfs/dbraw/zinc/58/15/60/935581560.db2.gz YAKKBIFZCJRDCK-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015793192 935586644 /nfs/dbraw/zinc/58/66/44/935586644.db2.gz PASMZHQCRDCZOB-CQSZACIVSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001016967780 935626695 /nfs/dbraw/zinc/62/66/95/935626695.db2.gz AVSPFVMQNKIHGA-LSDHHAIUSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001020286287 935733847 /nfs/dbraw/zinc/73/38/47/935733847.db2.gz ZKGHORRNPZCHFM-SHTZXODSSA-N 2 0 291.439 1.675 20 30 CDEDRP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001040530525 935788662 /nfs/dbraw/zinc/78/86/62/935788662.db2.gz BMDAEECKONHMBE-KRWDZBQOSA-N 2 0 291.439 1.583 20 30 CDEDRP CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001096013365 935880253 /nfs/dbraw/zinc/88/02/53/935880253.db2.gz JCVPKWRCSNFZFW-WCVJEAGWSA-N 2 0 289.423 1.216 20 30 CDEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001096013843 935880749 /nfs/dbraw/zinc/88/07/49/935880749.db2.gz RPGNCMWLXVGZMF-WCVJEAGWSA-N 2 0 291.439 1.768 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001049368992 936141631 /nfs/dbraw/zinc/14/16/31/936141631.db2.gz LAHRALNVZIYPSE-XHSDSOJGSA-N 2 0 291.439 1.722 20 30 CDEDRP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001049841670 936183086 /nfs/dbraw/zinc/18/30/86/936183086.db2.gz SZMFIYWCNXYAEI-BZUAXINKSA-N 2 0 289.423 1.027 20 30 CDEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001096887329 936232604 /nfs/dbraw/zinc/23/26/04/936232604.db2.gz HPTIVDUWEQHUSE-WCVJEAGWSA-N 2 0 291.439 1.768 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001121990659 937896999 /nfs/dbraw/zinc/89/69/99/937896999.db2.gz QNZQTSIAMHGGKH-GJZGRUSLSA-N 2 0 299.459 1.641 20 30 CDEDRP C=CC[N@@H+](C)CCN(CC)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156672539 938404373 /nfs/dbraw/zinc/40/43/73/938404373.db2.gz SGHJOBGKQPCECC-AWEZNQCLSA-N 2 0 267.417 1.295 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890466 938429640 /nfs/dbraw/zinc/42/96/40/938429640.db2.gz LZKDVAWFGBIADY-KGLIPLIRSA-N 2 0 267.417 1.341 20 30 CDEDRP N#Cc1cc(F)c(Cl)nc1NC(=N)NCCCC[NH3+] ZINC001157093458 938453111 /nfs/dbraw/zinc/45/31/11/938453111.db2.gz BIIMFEBMOJEBTE-UHFFFAOYSA-N 2 0 284.726 1.421 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157113809 938455512 /nfs/dbraw/zinc/45/55/12/938455512.db2.gz OURYWDATJHRSEH-CQSZACIVSA-N 2 0 267.417 1.177 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159997567 938764483 /nfs/dbraw/zinc/76/44/83/938764483.db2.gz SCSAGPJYVVORQV-UHFFFAOYSA-N 2 0 267.417 1.533 20 30 CDEDRP C=C(C)CN(CC)C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001160688514 938814616 /nfs/dbraw/zinc/81/46/16/938814616.db2.gz CVKBTSLVIFYRRX-AWEZNQCLSA-N 2 0 269.433 1.907 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160866933 938834200 /nfs/dbraw/zinc/83/42/00/938834200.db2.gz DNHDSYPLPXIVOW-UONOGXRCSA-N 2 0 299.846 1.852 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160866727 938834276 /nfs/dbraw/zinc/83/42/76/938834276.db2.gz BRVDMKQARZEAMJ-CABCVRRESA-N 2 0 279.428 1.675 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001161407434 938901257 /nfs/dbraw/zinc/90/12/57/938901257.db2.gz HOAWIZOVIPUEMO-UHFFFAOYSA-N 2 0 288.395 1.027 20 30 CDEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161425167 938902969 /nfs/dbraw/zinc/90/29/69/938902969.db2.gz UHCNHQUPUWYEFT-CRAIPNDOSA-N 2 0 299.418 1.671 20 30 CDEDRP C#CC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001161942293 938945744 /nfs/dbraw/zinc/94/57/44/938945744.db2.gz JMPMYYVRVPNZQY-UHFFFAOYSA-N 2 0 277.412 1.098 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001162617321 939102407 /nfs/dbraw/zinc/10/24/07/939102407.db2.gz GLMSXPDLOATADK-UHFFFAOYSA-N 2 0 270.336 1.067 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001163243346 939231377 /nfs/dbraw/zinc/23/13/77/939231377.db2.gz XCPGKERQNRAYRE-UHFFFAOYSA-N 2 0 293.455 1.618 20 30 CDEDRP C[Si](C)(C)C#C[NH2+][C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163315245 939245612 /nfs/dbraw/zinc/24/56/12/939245612.db2.gz JWOXAPRBFXZZOJ-CHWSQXEVSA-N 2 0 252.434 1.325 20 30 CDEDRP C[C@H]1CC[C@H](C[NH3+])N(c2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001164061635 939402343 /nfs/dbraw/zinc/40/23/43/939402343.db2.gz GDPYPHIJVKDWFF-GXTWGEPZSA-N 2 0 299.422 1.553 20 30 CDEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001165485587 939567311 /nfs/dbraw/zinc/56/73/11/939567311.db2.gz ZPUGXRAGNULJJB-HNNXBMFYSA-N 2 0 291.439 1.226 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001166690460 939627000 /nfs/dbraw/zinc/62/70/00/939627000.db2.gz BBHZTFURCKXVHF-KGLIPLIRSA-N 2 0 267.417 1.246 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001203852417 939707507 /nfs/dbraw/zinc/70/75/07/939707507.db2.gz BEKBUVYAUJGESG-GJZGRUSLSA-N 2 0 291.439 1.463 20 30 CDEDRP N#CCOc1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001205673928 939915563 /nfs/dbraw/zinc/91/55/63/939915563.db2.gz VULVFSXXUCEGNX-INIZCTEOSA-N 2 0 289.379 1.265 20 30 CDEDRP C[C@H]1C[N@H+](Cc2cccc(C#N)n2)CCC[C@@H]1C[NH3+] ZINC001206011311 939967212 /nfs/dbraw/zinc/96/72/12/939967212.db2.gz BMBSHOFESISKQD-QWHCGFSZSA-N 2 0 258.369 1.760 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001206488652 940048023 /nfs/dbraw/zinc/04/80/23/940048023.db2.gz VTMNAKFGLQEIPX-UHFFFAOYSA-N 2 0 293.455 1.733 20 30 CDEDRP CCC[NH+]1C[C@@H]2CN(Cc3cc(C#N)n(C)c3)C[C@H]2C1 ZINC001207110483 940151974 /nfs/dbraw/zinc/15/19/74/940151974.db2.gz OFMWVLJHMSILPF-HUUCEWRRSA-N 2 0 272.396 1.670 20 30 CDEDRP C[N@@H+](CCc1ccc(C#N)cc1)CCN1CC[NH+](C)CC1 ZINC001208927448 940407737 /nfs/dbraw/zinc/40/77/37/940407737.db2.gz IYMXCFBXZXBPFU-UHFFFAOYSA-N 2 0 286.423 1.280 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209315018 940459827 /nfs/dbraw/zinc/45/98/27/940459827.db2.gz NSFKJCOPKULSMM-ZDUSSCGKSA-N 2 0 253.390 1.095 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210782578 940712521 /nfs/dbraw/zinc/71/25/21/940712521.db2.gz NZGHSMFFQDNFQC-CYBMUJFWSA-N 2 0 287.835 1.661 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001211258177 940742676 /nfs/dbraw/zinc/74/26/76/940742676.db2.gz ZPBKTLCWNRCWKF-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213348690 940770138 /nfs/dbraw/zinc/77/01/38/940770138.db2.gz ROGSBFVUDJXKGF-HUUCEWRRSA-N 2 0 297.443 1.110 20 30 CDEDRP C[C@H](CNC(=O)NCC#CC[NH+](C)C)[N@@H+]1CCCC[C@@H]1C ZINC001220627304 941460042 /nfs/dbraw/zinc/46/00/42/941460042.db2.gz XKQFXTFMRWVKQB-LSDHHAIUSA-N 2 0 294.443 1.114 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221771795 941550273 /nfs/dbraw/zinc/55/02/73/941550273.db2.gz HDMYIBJJMBJHLI-HUUCEWRRSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CCN(CC[NH+]1CCC(F)(C[NH3+])CC1)C(=O)OCC ZINC001222526478 941608038 /nfs/dbraw/zinc/60/80/38/941608038.db2.gz BVUQSUSOCAZBPD-UHFFFAOYSA-N 2 0 287.379 1.394 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001223473015 941680194 /nfs/dbraw/zinc/68/01/94/941680194.db2.gz ZZXMGZGDPCNXTN-INIZCTEOSA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001228039770 942261409 /nfs/dbraw/zinc/26/14/09/942261409.db2.gz NZMMWHTXTQQESM-UHFFFAOYSA-N 2 0 279.428 1.321 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230373862 942615617 /nfs/dbraw/zinc/61/56/17/942615617.db2.gz CMMDFRBGGNHDAG-UHFFFAOYSA-N 2 0 281.444 1.873 20 30 CDEDRP COc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(C#N)c1 ZINC001236316182 944465996 /nfs/dbraw/zinc/46/59/96/944465996.db2.gz PRGRCNMRQRTFKM-GASCZTMLSA-N 2 0 285.391 1.998 20 30 CDEDRP C=C(C)[C@@H]1CC=C(CN2C[C@@H]([NH3+])C3(COC3)C2)CC1 ZINC001237175298 944674993 /nfs/dbraw/zinc/67/49/93/944674993.db2.gz HYERDZJKGNGTFU-HUUCEWRRSA-N 2 0 262.397 1.949 20 30 CDEDRP CCCCCCCC[C@@H](O)C[NH2+][C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001245977600 947874730 /nfs/dbraw/zinc/87/47/30/947874730.db2.gz HIHYZOTWUMIMSC-LVQVYYBASA-N 2 0 284.444 1.674 20 30 CDEDRP C=CCCCCCC[C@@H](O)C[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246011615 947890656 /nfs/dbraw/zinc/89/06/56/947890656.db2.gz XOFLCGAIGYQCAK-ZIAGYGMSSA-N 2 0 252.402 1.825 20 30 CDEDRP C[C@H]1C[C@H]([NH2+]CCOc2ccccc2C#N)CC[NH2+]1 ZINC001246327489 948106857 /nfs/dbraw/zinc/10/68/57/948106857.db2.gz IXYKUHMPNJAFKU-GXTWGEPZSA-N 2 0 259.353 1.667 20 30 CDEDRP N#CCC[N@H+](Cc1ccccc1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246529362 948233147 /nfs/dbraw/zinc/23/31/47/948233147.db2.gz GXUYCBJFDMCEEJ-MRXNPFEDSA-N 2 0 284.407 1.496 20 30 CDEDRP C=C(C)C(=O)OCC[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256679573 948391086 /nfs/dbraw/zinc/39/10/86/948391086.db2.gz OJXUVHPBDUXUHS-UHFFFAOYSA-N 2 0 296.411 1.339 20 30 CDEDRP CCOC(=O)[C@]12C[N@@H+]([C@@H](C)CCCC#N)C[C@H]1C[NH2+]CC2 ZINC001246854781 948479660 /nfs/dbraw/zinc/47/96/60/948479660.db2.gz HAJTVBMWQNFWTB-SQWLQELKSA-N 2 0 293.411 1.543 20 30 CDEDRP C=C1C[C@@H]2CC([NH2+]C[C@@H](C[NH3+])C(=O)OC)C[C@H](C1)C2 ZINC001257888576 948656050 /nfs/dbraw/zinc/65/60/50/948656050.db2.gz UFVWHBRLYAJOIN-RBKKPWLPSA-N 2 0 266.385 1.459 20 30 CDEDRP C=C[C@](C)(O)CN1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001252560413 951454928 /nfs/dbraw/zinc/45/49/28/951454928.db2.gz RLLOPRJDXYZZDD-CVEARBPZSA-N 2 0 282.428 1.499 20 30 CDEDRP CC[NH+](CC)C[C@H](O)C[NH2+]CCCCCCS ZINC001253215523 951815668 /nfs/dbraw/zinc/81/56/68/951815668.db2.gz YMQOMOKNJVKXCQ-CYBMUJFWSA-N 2 0 262.463 1.769 20 30 CDEDRP N#CC1CC([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254055307 952173657 /nfs/dbraw/zinc/17/36/57/952173657.db2.gz NFIDPRJHJNDKRF-UHFFFAOYSA-N 2 0 299.418 1.905 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@@H](C)[NH2+]C)CC1 ZINC001325371787 953867543 /nfs/dbraw/zinc/86/75/43/953867543.db2.gz LYHKRJRZXIAENF-CYBMUJFWSA-N 2 0 282.432 1.324 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC001340882303 956759347 /nfs/dbraw/zinc/75/93/47/956759347.db2.gz XCLPWAMHHIBMJN-STQMWFEESA-N 2 0 253.390 1.128 20 30 CDEDRP C[N@@H+]1CCCC[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC001336810910 960613687 /nfs/dbraw/zinc/61/36/87/960613687.db2.gz KZGAGCGGSUFEEW-KBPBESRZSA-N 2 0 267.417 1.609 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](CC)CC1 ZINC001340792752 963130844 /nfs/dbraw/zinc/13/08/44/963130844.db2.gz YGPRGPKFXHNYFR-CQSZACIVSA-N 2 0 267.417 1.613 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC001343407761 963972760 /nfs/dbraw/zinc/97/27/60/963972760.db2.gz LEINDFMNDKNFRG-GJZGRUSLSA-N 2 0 281.444 1.907 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001797944 967229948 /nfs/dbraw/zinc/22/99/48/967229948.db2.gz PHPJWFXCSFLQQT-UHFFFAOYSA-N 2 0 293.455 1.733 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001100383030 968181591 /nfs/dbraw/zinc/18/15/91/968181591.db2.gz IELYVBHDMZRLQA-GPANFISMSA-N 2 0 291.439 1.369 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001002482662 968692480 /nfs/dbraw/zinc/69/24/80/968692480.db2.gz ZLLZICXXQJBUCD-HNNXBMFYSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CCCO1 ZINC001200858484 969032627 /nfs/dbraw/zinc/03/26/27/969032627.db2.gz GIMAUBLGBHUAAC-AWEZNQCLSA-N 2 0 297.443 1.110 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001357474366 969602590 /nfs/dbraw/zinc/60/25/90/969602590.db2.gz MIGZSPSWEZOEIN-RFQIPJPRSA-N 2 0 267.417 1.398 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001133275607 1163624443 /nfs/dbraw/zinc/62/44/43/1163624443.db2.gz VEQJYTBOGGALHJ-JKSUJKDBSA-N 2 0 293.455 1.426 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001133313977 1163637608 /nfs/dbraw/zinc/63/76/08/1163637608.db2.gz KFVQDTSSFLDSMT-HOTGVXAUSA-N 2 0 291.439 1.180 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001133313979 1163637230 /nfs/dbraw/zinc/63/72/30/1163637230.db2.gz KFVQDTSSFLDSMT-HZPDHXFCSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CC[C@@H](CO)C[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC001574888431 1171038335 /nfs/dbraw/zinc/03/83/35/1171038335.db2.gz DNPAKXKXKLTIPR-LLVKDONJSA-N 2 0 266.410 1.668 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635530437 361765831 /nfs/dbraw/zinc/76/58/31/361765831.db2.gz BJSUOLCVBVNVPO-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCN1CC[NH2+]CC1 ZINC000591575888 342637650 /nfs/dbraw/zinc/63/76/50/342637650.db2.gz IPZFXXBIZKZYGZ-SFHVURJKSA-N 2 0 298.434 1.821 20 30 CDEDRP CC1(C#N)CCC([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000596655333 343363568 /nfs/dbraw/zinc/36/35/68/343363568.db2.gz VFKIGDIZMWPHAU-UHFFFAOYSA-N 2 0 275.356 1.203 20 30 CDEDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000619672057 349847086 /nfs/dbraw/zinc/84/70/86/349847086.db2.gz WJPVDYDKUYLEPR-KBPBESRZSA-N 2 0 264.417 1.294 20 30 CDEDRP C[C@H](CCC#N)C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000602542471 344460248 /nfs/dbraw/zinc/46/02/48/344460248.db2.gz YHHIBOTVLWAHET-HUUCEWRRSA-N 2 0 266.433 1.399 20 30 CDEDRP C[NH+]=C(NCc1cccc(C[NH+](C)C)c1)NC1CC1 ZINC000264089945 362963647 /nfs/dbraw/zinc/96/36/47/362963647.db2.gz WGHJVADSFIJEFV-UHFFFAOYSA-N 2 0 260.385 1.576 20 30 CDEDRP CNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000264112168 362970853 /nfs/dbraw/zinc/97/08/53/362970853.db2.gz PFFJGBYYPSVSEL-ZDUSSCGKSA-N 2 0 274.412 1.953 20 30 CDEDRP CCNC(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1 ZINC000264149589 362979994 /nfs/dbraw/zinc/97/99/94/362979994.db2.gz YWXZGXFLBJLOIT-UHFFFAOYSA-N 2 0 264.373 1.051 20 30 CDEDRP C#CCOc1ccc(C[NH2+]CCC[N@@H+](C)CCOC)cc1 ZINC000264930978 359318813 /nfs/dbraw/zinc/31/88/13/359318813.db2.gz ARPAIXAAGKTLNM-UHFFFAOYSA-N 2 0 290.407 1.757 20 30 CDEDRP C=CCN1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000248177263 361282778 /nfs/dbraw/zinc/28/27/78/361282778.db2.gz VUEOSGFQJBVYNS-OFQRWUPVSA-N 2 0 265.445 1.955 20 30 CDEDRP C=CCC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000305083837 370853470 /nfs/dbraw/zinc/85/34/70/370853470.db2.gz NGNQZRJUHGBEJM-HUUCEWRRSA-N 2 0 252.402 1.731 20 30 CDEDRP Cn1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1C#N ZINC000361548773 374045478 /nfs/dbraw/zinc/04/54/78/374045478.db2.gz LAOAJRPJKCDXOL-UHFFFAOYSA-N 2 0 290.411 1.439 20 30 CDEDRP CC#CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130697165 375320356 /nfs/dbraw/zinc/32/03/56/375320356.db2.gz OMBNDOUAMRNQTC-UHFFFAOYSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000165199044 375935924 /nfs/dbraw/zinc/93/59/24/375935924.db2.gz ASCRGVOYTYBLJE-JKSUJKDBSA-N 2 0 293.455 1.943 20 30 CDEDRP CC[NH+]1CCN(CCC[NH2+]CC(C)(C)CCC#N)CC1 ZINC000174267576 379429018 /nfs/dbraw/zinc/42/90/18/379429018.db2.gz ZOGBHOUZTNXUQN-UHFFFAOYSA-N 2 0 280.460 1.934 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCC[C@@H](C)[NH+](C)C)CC1 ZINC000664019927 413025617 /nfs/dbraw/zinc/02/56/17/413025617.db2.gz OHMWPPAYRFLQSI-CYBMUJFWSA-N 2 0 282.432 1.276 20 30 CDEDRP C[N@H+](CCCO)C1CCN(CCC(C)(C)C#N)CC1 ZINC000119661570 390550118 /nfs/dbraw/zinc/55/01/18/390550118.db2.gz CPHYKGIWGXOTIA-UHFFFAOYSA-N 2 0 267.417 1.705 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000491710123 391229218 /nfs/dbraw/zinc/22/92/18/391229218.db2.gz QUOONQZFARLEIH-MRXNPFEDSA-N 2 0 297.418 1.270 20 30 CDEDRP C=CCOCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000339058641 391248407 /nfs/dbraw/zinc/24/84/07/391248407.db2.gz RJRIPDUANKDFTA-UHFFFAOYSA-N 2 0 295.471 1.679 20 30 CDEDRP C=CCOCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000339059537 391248525 /nfs/dbraw/zinc/24/85/25/391248525.db2.gz LRCVJRJTCPPLCN-HZPDHXFCSA-N 2 0 281.444 1.147 20 30 CDEDRP CC[NH+](CC)Cc1cccc(CNC2=[NH+]CCN2C)c1 ZINC000262682139 391811725 /nfs/dbraw/zinc/81/17/25/391811725.db2.gz WRAKBSAKDXXOHG-UHFFFAOYSA-N 2 0 274.412 1.919 20 30 CDEDRP CN1CC[NH+]=C1NCc1cccc(OCC[NH+](C)C)c1 ZINC000262682281 391812022 /nfs/dbraw/zinc/81/20/22/391812022.db2.gz WUOAMOFOEPWOJV-UHFFFAOYSA-N 2 0 276.384 1.018 20 30 CDEDRP Cn1cc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1C#N ZINC000421367562 392932748 /nfs/dbraw/zinc/93/27/48/392932748.db2.gz FBQHXGMNDAARBE-UHFFFAOYSA-N 2 0 260.385 1.859 20 30 CDEDRP C=CCCCC[C@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665293934 414034699 /nfs/dbraw/zinc/03/46/99/414034699.db2.gz FTHXMVBYCKGXBB-NSHDSACASA-N 2 0 264.373 1.865 20 30 CDEDRP C=CCN(CC=C)[C@H](CNC1=[NH+]C[C@H](C)N1)C(C)C ZINC000285023393 263089382 /nfs/dbraw/zinc/08/93/82/263089382.db2.gz JIGWIERICFAUBP-UONOGXRCSA-N 2 0 264.417 1.622 20 30 CDEDRP CCc1nc(C)c(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)o1 ZINC000291965300 263126754 /nfs/dbraw/zinc/12/67/54/263126754.db2.gz SCNBCOKFMKHITB-GFCCVEGCSA-N 2 0 293.415 1.434 20 30 CDEDRP C=CC[C@]1(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662679966 424301241 /nfs/dbraw/zinc/30/12/41/424301241.db2.gz QNYHMOZUAQQWHR-YQQAZPJKSA-N 2 0 293.455 1.921 20 30 CDEDRP C[NH+](C)Cc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000570925810 327635935 /nfs/dbraw/zinc/63/59/35/327635935.db2.gz KSONJFKPGWPEHG-CQSZACIVSA-N 2 0 274.368 1.708 20 30 CDEDRP C[NH+]=C(NCc1cccn1C)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261946563 328143393 /nfs/dbraw/zinc/14/33/93/328143393.db2.gz GAFQLDCJBSKVCL-DOMZBBRYSA-N 2 0 289.427 1.173 20 30 CDEDRP C[C@@H](C(=O)NC1(C#N)CC[NH+](C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000558696217 327114642 /nfs/dbraw/zinc/11/46/42/327114642.db2.gz OVICGHNOBHHFGS-MJBXVCDLSA-N 2 0 292.427 1.352 20 30 CDEDRP C#CCN(C)CCC[NH2+]C1CCC2(CC1)OCCO2 ZINC000392778796 329384119 /nfs/dbraw/zinc/38/41/19/329384119.db2.gz XVXSAXZHFVFCRT-UHFFFAOYSA-N 2 0 266.385 1.217 20 30 CDEDRP C[C@@H]1CCC[C@](CNC(=[NH2+])N2CCSCC2)([NH+](C)C)C1 ZINC000261976345 329993187 /nfs/dbraw/zinc/99/31/87/329993187.db2.gz GGOQVCDLCOJBJJ-HIFRSBDPSA-N 2 0 298.500 1.860 20 30 CDEDRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424127603 330259514 /nfs/dbraw/zinc/25/95/14/330259514.db2.gz BDWQNAJUICINQT-ZIAGYGMSSA-N 2 0 280.416 1.388 20 30 CDEDRP CC(C)C[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424143597 330287971 /nfs/dbraw/zinc/28/79/71/330287971.db2.gz ZVSUJBCWSNSOBB-CQSZACIVSA-N 2 0 280.416 1.244 20 30 CDEDRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]([NH3+])CCCC#N)[C@@H](C)C1 ZINC000424148395 330295033 /nfs/dbraw/zinc/29/50/33/330295033.db2.gz UIOMWHMAGOXNPJ-IHRRRGAJSA-N 2 0 280.416 1.196 20 30 CDEDRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CC[C@H](C#N)C2)ccn1 ZINC000442816126 330785276 /nfs/dbraw/zinc/78/52/76/330785276.db2.gz DEJDHAVHHOZDIH-ZFWWWQNUSA-N 2 0 288.395 1.804 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000449122486 330900343 /nfs/dbraw/zinc/90/03/43/330900343.db2.gz LJZRRICWSOSJKJ-CQSZACIVSA-N 2 0 281.444 1.777 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=[NH2+])N1CCCCCC1 ZINC000491764713 332331180 /nfs/dbraw/zinc/33/11/80/332331180.db2.gz DBHHIGVFIZGIKB-UHFFFAOYSA-N 2 0 250.390 1.342 20 30 CDEDRP N#CCC[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000567679337 334751445 /nfs/dbraw/zinc/75/14/45/334751445.db2.gz SRQAZQPUNDTSDY-UHFFFAOYSA-N 2 0 286.423 1.698 20 30 CDEDRP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001028580088 1159983142 /nfs/dbraw/zinc/98/31/42/1159983142.db2.gz PPPLGIIUSQSKJQ-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874872 1161200787 /nfs/dbraw/zinc/20/07/87/1161200787.db2.gz WCQPEKVTXHAUHN-OWCLPIDISA-N 2 0 293.455 1.588 20 30 CDEDRP CC1(C)CC(N=NC(N)=[NH2+])C[N@@H+]1Cc1ccccc1 ZINC000761254495 576563263 /nfs/dbraw/zinc/56/32/63/576563263.db2.gz PCEATFLGBOEWLC-UHFFFAOYSA-N 2 0 259.357 1.510 20 30 CDEDRP C#CCCC[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000766904162 576144669 /nfs/dbraw/zinc/14/46/69/576144669.db2.gz XPBBRRBJRHOYEG-HNNXBMFYSA-N 2 0 252.402 1.833 20 30 CDEDRP C[C@@H]1CC(N=NC(N)=[NH2+])C[N@H+](Cc2ccccc2)C1 ZINC000767356175 576183072 /nfs/dbraw/zinc/18/30/72/576183072.db2.gz OJKSZDGULGCYMH-LLVKDONJSA-N 2 0 259.357 1.367 20 30 CDEDRP C#CCOCC[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000753768828 576858724 /nfs/dbraw/zinc/85/87/24/576858724.db2.gz NIXYRKNTMJFZNY-CVEARBPZSA-N 2 0 282.428 1.363 20 30 CDEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000969648140 612996403 /nfs/dbraw/zinc/99/64/03/612996403.db2.gz JJWMVSJGJLSZPA-HOCLYGCPSA-N 2 0 291.439 1.319 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)CC)CC1 ZINC000961028208 613129045 /nfs/dbraw/zinc/12/90/45/613129045.db2.gz QJYFKMOOWQFRFS-INIZCTEOSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CC[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000948775348 613177958 /nfs/dbraw/zinc/17/79/58/613177958.db2.gz GMSHGURNJHMNGI-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947723122 613258900 /nfs/dbraw/zinc/25/89/00/613258900.db2.gz RCYKHGDMYKRHEZ-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[N@H+]1CCCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000982683625 613308156 /nfs/dbraw/zinc/30/81/56/613308156.db2.gz VXBSUWVVASKQCI-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=C(C)C[NH+]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977453607 613341619 /nfs/dbraw/zinc/34/16/19/613341619.db2.gz OGZIWXQFBIOIRN-CABCVRRESA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000970329785 613531195 /nfs/dbraw/zinc/53/11/95/613531195.db2.gz UOAZHVWLPQECPJ-ZNMIVQPWSA-N 2 0 291.439 1.177 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000972479502 613630090 /nfs/dbraw/zinc/63/00/90/613630090.db2.gz VESJNHSFZKYVSV-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000969832858 613662376 /nfs/dbraw/zinc/66/23/76/613662376.db2.gz JXIBWALWJVWDQP-HUUCEWRRSA-N 2 0 293.455 1.587 20 30 CDEDRP C=CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981194431 613691602 /nfs/dbraw/zinc/69/16/02/613691602.db2.gz QJOAQPNCSCQKEF-ZIAGYGMSSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947722820 613742894 /nfs/dbraw/zinc/74/28/94/613742894.db2.gz LXIIAXVKOMLQFR-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP CC[NH+](CC)CCCNC(=[NH2+])N1CCSCC1 ZINC000104153398 617599051 /nfs/dbraw/zinc/59/90/51/617599051.db2.gz YPZDULXUYGLXHB-UHFFFAOYSA-N 2 0 258.435 1.082 20 30 CDEDRP C[NH+](C)C1CCN(CC[NH2+]CC#Cc2ccccc2)CC1 ZINC000893359897 617668881 /nfs/dbraw/zinc/66/88/81/617668881.db2.gz DSSDMMAORZHJLJ-UHFFFAOYSA-N 2 0 285.435 1.654 20 30 CDEDRP CN1CCN(N=C2CCOC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000787145462 621532037 /nfs/dbraw/zinc/53/20/37/621532037.db2.gz RFEJAXWDECUSFB-OAHLLOKOSA-N 2 0 294.443 1.112 20 30 CDEDRP N#CCN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903091901 625846041 /nfs/dbraw/zinc/84/60/41/625846041.db2.gz CFHUZPXOHNDJCN-ZXFUBFMLSA-N 2 0 288.439 1.722 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000911726216 629443989 /nfs/dbraw/zinc/44/39/89/629443989.db2.gz RTISKHSMFXUBEV-AGIUHOORSA-N 2 0 253.390 1.174 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000911788993 629513621 /nfs/dbraw/zinc/51/36/21/629513621.db2.gz FVECFFUOOGTAFX-AWEZNQCLSA-N 2 0 273.380 1.954 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000913521530 630527084 /nfs/dbraw/zinc/52/70/84/630527084.db2.gz CRQWOHMPSDASPH-MRXNPFEDSA-N 2 0 287.407 1.361 20 30 CDEDRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](C[NH2+]C#C[Si](C)(C)C)O1 ZINC001170276527 1162325399 /nfs/dbraw/zinc/32/53/99/1162325399.db2.gz CQBCNBUGVQJMMQ-UPJWGTAASA-N 2 0 270.449 1.139 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130875032 1162738388 /nfs/dbraw/zinc/73/83/88/1162738388.db2.gz ZWYALTYYOXLXFT-UHFFFAOYSA-N 2 0 258.325 1.230 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001754806957 1159461424 /nfs/dbraw/zinc/46/14/24/1159461424.db2.gz JTFQHKXFNIJPBS-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001133253466 1163619746 /nfs/dbraw/zinc/61/97/46/1163619746.db2.gz IAECZVJAZITQBK-JKSUJKDBSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCN[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000794998312 1164916961 /nfs/dbraw/zinc/91/69/61/1164916961.db2.gz IDWWHRBOZKUVBX-UHFFFAOYSA-N 2 0 258.369 1.548 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)CC ZINC001114482506 1165324862 /nfs/dbraw/zinc/32/48/62/1165324862.db2.gz BLSPMEDQCZDAGB-WDNDVIMCSA-N 2 0 279.428 1.339 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001202540118 1165624830 /nfs/dbraw/zinc/62/48/30/1165624830.db2.gz UMSKSBJYRVXRKE-UHFFFAOYSA-N 2 0 293.455 1.568 20 30 CDEDRP C#C[C@@H]([NH2+]Cc1ccc(N2CC[NH2+]CC2)o1)C(C)C ZINC001574505390 1170988051 /nfs/dbraw/zinc/98/80/51/1170988051.db2.gz RSJWPKYKDHYRIQ-CQSZACIVSA-N 2 0 261.369 1.437 20 30 CDEDRP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCOCC3)cc1C#N ZINC001579697054 1172241958 /nfs/dbraw/zinc/24/19/58/1172241958.db2.gz UWLNZKDQJYYJFW-JKSUJKDBSA-N 2 0 285.391 1.853 20 30 CDEDRP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001714236623 1179038171 /nfs/dbraw/zinc/03/81/71/1179038171.db2.gz UWJWWZDVCAJCGI-CVEARBPZSA-N 2 0 293.455 1.568 20 30 CDEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC001724076673 1181633347 /nfs/dbraw/zinc/63/33/47/1181633347.db2.gz JCMFGWQXJMLYSY-HZPDHXFCSA-N 2 0 291.439 1.369 20 30 CDEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001732558080 1183008510 /nfs/dbraw/zinc/00/85/10/1183008510.db2.gz NYLNSNJTWJHTIT-UONOGXRCSA-N 2 0 269.433 1.633 20 30 CDEDRP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001753362796 1184469436 /nfs/dbraw/zinc/46/94/36/1184469436.db2.gz UTMSDGOBAZFFBP-INIZCTEOSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001752732044 1184901380 /nfs/dbraw/zinc/90/13/80/1184901380.db2.gz YSXFVPIQTYKZRI-APIJFGDWSA-N 2 0 279.428 1.530 20 30 CDEDRP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001752989853 1184985172 /nfs/dbraw/zinc/98/51/72/1184985172.db2.gz AHXMMVWDYVYVCJ-OWCLPIDISA-N 2 0 293.455 1.826 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001752996259 1184988286 /nfs/dbraw/zinc/98/82/86/1184988286.db2.gz BAFKXRLKJOMQBS-OAHLLOKOSA-N 2 0 279.428 1.274 20 30 CDEDRP C=CC[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+](C)CCC)C1 ZINC001753461717 1185219220 /nfs/dbraw/zinc/21/92/20/1185219220.db2.gz MNLZTJCJLGBVEO-CQSZACIVSA-N 2 0 267.417 1.437 20 30 CDEDRP C#CC[NH2+][C@@H](CC)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001753474574 1185226487 /nfs/dbraw/zinc/22/64/87/1185226487.db2.gz ZJDBSSKSOXVQPE-AWEZNQCLSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001753896536 1185384296 /nfs/dbraw/zinc/38/42/96/1185384296.db2.gz CDLLCPYRTUZRHN-LSDHHAIUSA-N 2 0 291.439 1.533 20 30 CDEDRP C=CCCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001754022932 1185428403 /nfs/dbraw/zinc/42/84/03/1185428403.db2.gz LSWYMXKGKDWRGX-ZIAGYGMSSA-N 2 0 267.417 1.389 20 30 CDEDRP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001754025738 1185430412 /nfs/dbraw/zinc/43/04/12/1185430412.db2.gz PPPXIASRDOACHR-LBPRGKRZSA-N 2 0 275.824 1.564 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001754598180 1185678321 /nfs/dbraw/zinc/67/83/21/1185678321.db2.gz HPYJNJJQGNEYDI-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001754683085 1185703406 /nfs/dbraw/zinc/70/34/06/1185703406.db2.gz ROPGKIYUVDSHIF-INIZCTEOSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001754918648 1185763148 /nfs/dbraw/zinc/76/31/48/1185763148.db2.gz HQZITUWUDXUXIR-CABCVRRESA-N 2 0 279.428 1.034 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001755734758 1186053075 /nfs/dbraw/zinc/05/30/75/1186053075.db2.gz DWBNWQSLSSVPJD-LSDHHAIUSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001755743493 1186054914 /nfs/dbraw/zinc/05/49/14/1186054914.db2.gz JFEZPNYGDASHNJ-HUUCEWRRSA-N 2 0 291.439 1.226 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001755743494 1186055564 /nfs/dbraw/zinc/05/55/64/1186055564.db2.gz JFEZPNYGDASHNJ-LSDHHAIUSA-N 2 0 291.439 1.226 20 30 CDEDRP C=CC[NH2+]CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001133893508 1163953264 /nfs/dbraw/zinc/95/32/64/1163953264.db2.gz HSMWAAPWCPMTOA-UHFFFAOYSA-N 2 0 275.396 1.296 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134766053 1164100595 /nfs/dbraw/zinc/10/05/95/1164100595.db2.gz CRZQOOCCJWJGJG-CQSZACIVSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001049369964 805051906 /nfs/dbraw/zinc/05/19/06/805051906.db2.gz RMZGILKKIHRETE-XHSDSOJGSA-N 2 0 291.439 1.722 20 30 CDEDRP CC(C)CNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000303778377 805086075 /nfs/dbraw/zinc/08/60/75/805086075.db2.gz JQWDKMHFQLOJHQ-CYBMUJFWSA-N 2 0 254.422 1.667 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC001015782066 805103665 /nfs/dbraw/zinc/10/36/65/805103665.db2.gz WETVRKSKVLJLSM-CQSZACIVSA-N 2 0 288.395 1.220 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001023465040 805168875 /nfs/dbraw/zinc/16/88/75/805168875.db2.gz KLJHEGQDWGLBCL-OAHLLOKOSA-N 2 0 291.439 1.629 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001003419560 805171418 /nfs/dbraw/zinc/17/14/18/805171418.db2.gz HBWKZDRCCVNWQE-UHFFFAOYSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001022274129 805270949 /nfs/dbraw/zinc/27/09/49/805270949.db2.gz MAANBMVSRDWSEQ-OKILXGFUSA-N 2 0 277.412 1.285 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052864219 805365283 /nfs/dbraw/zinc/36/52/83/805365283.db2.gz CFFNDKCAAIGRFW-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001014508557 811087969 /nfs/dbraw/zinc/08/79/69/811087969.db2.gz OTDZBGBJEKJNKL-MELADBBJSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001008529251 811093183 /nfs/dbraw/zinc/09/31/83/811093183.db2.gz DZIJUKJEDFBZRU-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033582397 811416384 /nfs/dbraw/zinc/41/63/84/811416384.db2.gz OSQNJNBHQKERTN-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001005993117 811833242 /nfs/dbraw/zinc/83/32/42/811833242.db2.gz ZBMJDSIDICMMTG-CQSZACIVSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000999057642 811851576 /nfs/dbraw/zinc/85/15/76/811851576.db2.gz OLDBSHMEONXMHM-UHFFFAOYSA-N 2 0 282.347 1.160 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]C(C)C)C2)CC1 ZINC001027234412 811870378 /nfs/dbraw/zinc/87/03/78/811870378.db2.gz WADYKGHOLDZPPQ-HNNXBMFYSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999145550 812492923 /nfs/dbraw/zinc/49/29/23/812492923.db2.gz SJHNPSZXPJGRIR-CABCVRRESA-N 2 0 277.412 1.073 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001017664735 812697432 /nfs/dbraw/zinc/69/74/32/812697432.db2.gz ZLDHYUPBIFEQEU-XHSDSOJGSA-N 2 0 291.439 1.722 20 30 CDEDRP C[C@@H](C[NH+]=C(N(C)C)N(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000261987810 812805576 /nfs/dbraw/zinc/80/55/76/812805576.db2.gz KQGMUVXWIZZKNV-STQMWFEESA-N 2 0 254.422 1.586 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000999623064 812820977 /nfs/dbraw/zinc/82/09/77/812820977.db2.gz VEEHRXOZBVFGAT-AWEZNQCLSA-N 2 0 282.347 1.162 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000997086638 812834027 /nfs/dbraw/zinc/83/40/27/812834027.db2.gz AIEACVIXPDXRFT-JKSUJKDBSA-N 2 0 289.423 1.217 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001020591715 812856535 /nfs/dbraw/zinc/85/65/35/812856535.db2.gz STNRVBHVSWWEOH-XYJRDEOASA-N 2 0 285.819 1.173 20 30 CDEDRP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001046839716 812944810 /nfs/dbraw/zinc/94/48/10/812944810.db2.gz SHTLGRZHXNEWNS-ZFWWWQNUSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH]cn3)C[C@@H]21 ZINC001042091589 812957385 /nfs/dbraw/zinc/95/73/85/812957385.db2.gz WMRKLGXQQIKAGK-ZFWWWQNUSA-N 2 0 288.395 1.451 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001033416081 813129542 /nfs/dbraw/zinc/12/95/42/813129542.db2.gz NAEBPJPEQNAIIF-LSDHHAIUSA-N 2 0 279.428 1.580 20 30 CDEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000924579478 813278568 /nfs/dbraw/zinc/27/85/68/813278568.db2.gz XLCJJAFEQRUDIX-AWEZNQCLSA-N 2 0 266.433 1.542 20 30 CDEDRP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024762355 813289023 /nfs/dbraw/zinc/28/90/23/813289023.db2.gz QJOCUYPFLTWOBB-HNNXBMFYSA-N 2 0 289.423 1.076 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001019820569 813600360 /nfs/dbraw/zinc/60/03/60/813600360.db2.gz PJCWWOQFDZNYMK-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001020928055 813619943 /nfs/dbraw/zinc/61/99/43/813619943.db2.gz UKYCTWAXOXHRAL-IHRRRGAJSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076462155 813723731 /nfs/dbraw/zinc/72/37/31/813723731.db2.gz JUCWVBWKTWDMFJ-HRCADAONSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001016331834 813854232 /nfs/dbraw/zinc/85/42/32/813854232.db2.gz AJKHDBMBDYBSJJ-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031668823 813870003 /nfs/dbraw/zinc/87/00/03/813870003.db2.gz PSSMHHLEEMIYHT-CVEARBPZSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000989448909 813895198 /nfs/dbraw/zinc/89/51/98/813895198.db2.gz ABADEPFAMJXULM-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049728956 813897915 /nfs/dbraw/zinc/89/79/15/813897915.db2.gz SIWOTVVXVRUFGC-SOUVJXGZSA-N 2 0 279.428 1.578 20 30 CDEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@@H]21 ZINC001036737890 814097409 /nfs/dbraw/zinc/09/74/09/814097409.db2.gz XLOQURFDXVWHRY-ZBFHGGJFSA-N 2 0 289.423 1.027 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993760942 814157908 /nfs/dbraw/zinc/15/79/08/814157908.db2.gz OIYSXSQCRQPIQZ-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCCCN1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880206712 814189425 /nfs/dbraw/zinc/18/94/25/814189425.db2.gz JIUNYQXORKBKKL-HNNXBMFYSA-N 2 0 250.386 1.633 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015387503 814314762 /nfs/dbraw/zinc/31/47/62/814314762.db2.gz LWKNGHNIEAZQRU-CVEARBPZSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072081746 814372833 /nfs/dbraw/zinc/37/28/33/814372833.db2.gz RJFZYIYJRZRUCD-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001042093177 814389721 /nfs/dbraw/zinc/38/97/21/814389721.db2.gz MMAWZQBUJNEWFV-CABCVRRESA-N 2 0 289.423 1.027 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)[C@H]1C ZINC001074877752 814542818 /nfs/dbraw/zinc/54/28/18/814542818.db2.gz KIPINWLOFOXZKF-RDBSUJKOSA-N 2 0 265.401 1.236 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001022596628 814662538 /nfs/dbraw/zinc/66/25/38/814662538.db2.gz OTKYRZPYWWPFPU-XDQVBPFNSA-N 2 0 299.846 1.706 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC000999508350 816762144 /nfs/dbraw/zinc/76/21/44/816762144.db2.gz JGYWZJWCHFMIQI-UHFFFAOYSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997507182 816834893 /nfs/dbraw/zinc/83/48/93/816834893.db2.gz BTHUQIAUUFSVNL-DZGCQCFKSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027885562 816835432 /nfs/dbraw/zinc/83/54/32/816835432.db2.gz GKGWANWBDKWJMQ-CVEARBPZSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681695 816851902 /nfs/dbraw/zinc/85/19/02/816851902.db2.gz AUKDEDHRINEIRE-AWEZNQCLSA-N 2 0 299.846 1.758 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007352165 816874380 /nfs/dbraw/zinc/87/43/80/816874380.db2.gz YOIKCCCBVIYGHP-HOTGVXAUSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CC[C@H](CCOC)[NH2+]C1CC[NH+](CCC)CC1 ZINC000862547404 816885788 /nfs/dbraw/zinc/88/57/88/816885788.db2.gz DZCIXIZKVQSVFT-CQSZACIVSA-N 2 0 252.402 1.879 20 30 CDEDRP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001032499507 816913887 /nfs/dbraw/zinc/91/38/87/816913887.db2.gz AOGAYWBLACXVSQ-GJZGRUSLSA-N 2 0 282.347 1.419 20 30 CDEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])N[C@H](C)CC ZINC000304832149 816920254 /nfs/dbraw/zinc/92/02/54/816920254.db2.gz LADMEEGQYHGUDL-NEPJUHHUSA-N 2 0 258.410 1.046 20 30 CDEDRP C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001017620218 816931984 /nfs/dbraw/zinc/93/19/84/816931984.db2.gz INHKVXBUOLAQMG-XHSDSOJGSA-N 2 0 289.423 1.025 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000997950694 816968138 /nfs/dbraw/zinc/96/81/38/816968138.db2.gz SDEYCGVAMMBFSK-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(CC[NH+](C)C)C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889821151 817002695 /nfs/dbraw/zinc/00/26/95/817002695.db2.gz GBKHTQUTPBHAIX-UHFFFAOYSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001050662549 817046945 /nfs/dbraw/zinc/04/69/45/817046945.db2.gz KGDYEOMJNQPUGK-OAHLLOKOSA-N 2 0 289.423 1.028 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001001534397 817113773 /nfs/dbraw/zinc/11/37/73/817113773.db2.gz JFMSGIYWEUJPGN-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001015795446 817200048 /nfs/dbraw/zinc/20/00/48/817200048.db2.gz QAFYBUAHIWVPFI-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999373490 817277386 /nfs/dbraw/zinc/27/73/86/817277386.db2.gz QHIZNWXTUWEWCI-UONOGXRCSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001027417120 817466150 /nfs/dbraw/zinc/46/61/50/817466150.db2.gz VDSFGZFYIJDSOA-RBSFLKMASA-N 2 0 279.428 1.435 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000987252298 817557356 /nfs/dbraw/zinc/55/73/56/817557356.db2.gz FDNCJAXZPRIZLJ-CABCVRRESA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028111535 817698171 /nfs/dbraw/zinc/69/81/71/817698171.db2.gz NVKCHPXAAFUWKR-AWEZNQCLSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014457409 817817508 /nfs/dbraw/zinc/81/75/08/817817508.db2.gz PSCNFBLCWOCIMZ-GJZGRUSLSA-N 2 0 277.412 1.095 20 30 CDEDRP CCCCCCNC(=[NH2+])NC[C@@H](C)[N@H+](C)C1CC1 ZINC000303987767 817886750 /nfs/dbraw/zinc/88/67/50/817886750.db2.gz VSUPBABCXIWOOM-GFCCVEGCSA-N 2 0 254.422 1.954 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC(=C)C)CC1 ZINC001039042311 817861151 /nfs/dbraw/zinc/86/11/51/817861151.db2.gz PSWHTSBRKQDZSP-INIZCTEOSA-N 2 0 289.423 1.098 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000303877529 817883237 /nfs/dbraw/zinc/88/32/37/817883237.db2.gz FLFMYWKHPSFJKJ-IHRRRGAJSA-N 2 0 284.448 1.294 20 30 CDEDRP CCN(CC)C(=[NH2+])NCC1([NH+]2CCCC2)CCOCC1 ZINC000304765883 817887293 /nfs/dbraw/zinc/88/72/93/817887293.db2.gz ZXAYPKLFSKCNRG-UHFFFAOYSA-N 2 0 282.432 1.288 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001016332226 817975905 /nfs/dbraw/zinc/97/59/05/817975905.db2.gz DEDXUDJSJKNCBZ-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001089037411 912514531 /nfs/dbraw/zinc/51/45/31/912514531.db2.gz CUQMCCXZDRGEEZ-RDBSUJKOSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106139577 913353087 /nfs/dbraw/zinc/35/30/87/913353087.db2.gz ZVKUJAITGUSIEX-BMFZPTHFSA-N 2 0 291.439 1.198 20 30 CDEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])Nc1ccccn1 ZINC000176492796 913513720 /nfs/dbraw/zinc/51/37/20/913513720.db2.gz RWOLLKAPDCFDKL-LBPRGKRZSA-N 2 0 279.388 1.165 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001266353025 894518281 /nfs/dbraw/zinc/51/82/81/894518281.db2.gz MXNMWZSNSAXVFK-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001020673322 894518961 /nfs/dbraw/zinc/51/89/61/894518961.db2.gz IPESXCMMQKZVGB-KKUMJFAQSA-N 2 0 279.428 1.674 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001106370897 913888820 /nfs/dbraw/zinc/88/88/20/913888820.db2.gz FZJNZOWSKSNHLK-HUUCEWRRSA-N 2 0 291.439 1.485 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001167225375 894906765 /nfs/dbraw/zinc/90/67/65/894906765.db2.gz SWTZCFQVLDPKAS-HNNXBMFYSA-N 2 0 291.439 1.370 20 30 CDEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210811141 895449822 /nfs/dbraw/zinc/44/98/22/895449822.db2.gz JZTCEZRREKVOTE-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001267121590 896852617 /nfs/dbraw/zinc/85/26/17/896852617.db2.gz CENBMYCHYVMLDG-STQMWFEESA-N 2 0 253.390 1.141 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106669042 914122613 /nfs/dbraw/zinc/12/26/13/914122613.db2.gz VIQSIAYJWPQDFL-HUUCEWRRSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCCCC)CC1 ZINC001176925746 914358499 /nfs/dbraw/zinc/35/84/99/914358499.db2.gz AARMKWQQTSQRQJ-UHFFFAOYSA-N 2 0 293.455 1.618 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001104908235 899658181 /nfs/dbraw/zinc/65/81/81/899658181.db2.gz OHFGONJYMPQITE-OWCLPIDISA-N 2 0 293.455 1.588 20 30 CDEDRP C[C@H](CC(C)(C)C#N)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000695779525 899910632 /nfs/dbraw/zinc/91/06/32/899910632.db2.gz PZGHOUOHXUGALO-GFCCVEGCSA-N 2 0 253.390 1.361 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1CC ZINC001087749962 905818366 /nfs/dbraw/zinc/81/83/66/905818366.db2.gz KDLJPTLNROHKAD-JKSUJKDBSA-N 2 0 291.439 1.321 20 30 CDEDRP C[C@@H](C[NH+]=C(NCc1ccccc1)N(C)C)[NH+](C)C ZINC000848996671 906566124 /nfs/dbraw/zinc/56/61/24/906566124.db2.gz OGAMTKLJJSBOAF-ZDUSSCGKSA-N 2 0 262.401 1.644 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001088330895 906918294 /nfs/dbraw/zinc/91/82/94/906918294.db2.gz KUAHBOTYUGDBQT-CVEARBPZSA-N 2 0 293.455 1.567 20 30 CDEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001168147521 907477956 /nfs/dbraw/zinc/47/79/56/907477956.db2.gz SNABBLPNPRUZPL-HNNXBMFYSA-N 2 0 293.455 1.780 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001092734584 909496190 /nfs/dbraw/zinc/49/61/90/909496190.db2.gz BCRZJSWRFFOWHM-RBSFLKMASA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001483243961 910723697 /nfs/dbraw/zinc/72/36/97/910723697.db2.gz JQZXZRNIWODEJW-LBPRGKRZSA-N 2 0 285.819 1.462 20 30 CDEDRP CC(C)C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)NO ZINC001172115519 911284202 /nfs/dbraw/zinc/28/42/02/911284202.db2.gz XXLFGYHKWDJUBX-FQUUOJAGSA-N 2 0 283.416 1.511 20 30 CDEDRP C[C@@H](CCCC#N)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001172480158 911684498 /nfs/dbraw/zinc/68/44/98/911684498.db2.gz MVQYPWZNQQRANA-AWEZNQCLSA-N 2 0 266.433 1.684 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001094935753 911856586 /nfs/dbraw/zinc/85/65/86/911856586.db2.gz LZCPBTPJAJFFSB-KKUMJFAQSA-N 2 0 291.439 1.626 20 30 CDEDRP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001189912924 921716352 /nfs/dbraw/zinc/71/63/52/921716352.db2.gz KJYWXEIMCYYZIV-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCOCC[NH2+]CCCCCCNC(=O)CC[NH+](C)C ZINC001179463703 915846857 /nfs/dbraw/zinc/84/68/57/915846857.db2.gz IBIMEZFPZXZYSV-UHFFFAOYSA-N 2 0 299.459 1.407 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)[C@H]1C ZINC001179534589 915860650 /nfs/dbraw/zinc/86/06/50/915860650.db2.gz PLVJXWZENOMMFA-KKUMJFAQSA-N 2 0 277.412 1.073 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001179591009 915886517 /nfs/dbraw/zinc/88/65/17/915886517.db2.gz NRAHTWFGNUTWND-CVEARBPZSA-N 2 0 293.455 1.474 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001179967695 916118102 /nfs/dbraw/zinc/11/81/02/916118102.db2.gz HAIRPXNXRMWCSC-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001097779297 936374246 /nfs/dbraw/zinc/37/42/46/936374246.db2.gz KTVJCKGFHHUQDR-OAGGEKHMSA-N 2 0 291.439 1.626 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052937355 936405296 /nfs/dbraw/zinc/40/52/96/936405296.db2.gz JIEGOJTYPMIEPB-HNNXBMFYSA-N 2 0 277.412 1.076 20 30 CDEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001182637485 917996581 /nfs/dbraw/zinc/99/65/81/917996581.db2.gz GTAOICNJKCXYNT-HLLBOEOZSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001054969190 936480794 /nfs/dbraw/zinc/48/07/94/936480794.db2.gz OXURSNULUPHPHO-ZIAGYGMSSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000996713294 918381634 /nfs/dbraw/zinc/38/16/34/918381634.db2.gz SMIYRXMRCLNLLJ-HOTGVXAUSA-N 2 0 289.423 1.217 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001000194497 936526748 /nfs/dbraw/zinc/52/67/48/936526748.db2.gz VUQFNAIJVCSMGF-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001183939648 918758314 /nfs/dbraw/zinc/75/83/14/918758314.db2.gz ILSAMEJIGOHVKT-CQSZACIVSA-N 2 0 277.412 1.381 20 30 CDEDRP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001143365 936548199 /nfs/dbraw/zinc/54/81/99/936548199.db2.gz GNARXALMYJSOOJ-DZGCQCFKSA-N 2 0 277.412 1.118 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001203459473 919302178 /nfs/dbraw/zinc/30/21/78/919302178.db2.gz FSDLXFFKQQIGBI-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)C[N@@H+](C)CCCCCC ZINC001168596377 919378212 /nfs/dbraw/zinc/37/82/12/919378212.db2.gz UQGZGJAXTSPHBR-UHFFFAOYSA-N 2 0 269.433 1.780 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001185535214 919665024 /nfs/dbraw/zinc/66/50/24/919665024.db2.gz BXNKDDMLPVLMNN-GJZGRUSLSA-N 2 0 279.428 1.036 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001185650869 919691628 /nfs/dbraw/zinc/69/16/28/919691628.db2.gz PXLSHOIMGPMGJE-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001203010904 936685204 /nfs/dbraw/zinc/68/52/04/936685204.db2.gz ZNDRNIAAOLSBHY-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190238011 921925340 /nfs/dbraw/zinc/92/53/40/921925340.db2.gz HQGPOZYXKFTVJK-OWCLPIDISA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034207696 922543185 /nfs/dbraw/zinc/54/31/85/922543185.db2.gz NQXUYLHFTATWAS-HOTGVXAUSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001099158906 936781301 /nfs/dbraw/zinc/78/13/01/936781301.db2.gz AGIKCBURIZPZTO-VYDXJSESSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001099315570 936785575 /nfs/dbraw/zinc/78/55/75/936785575.db2.gz HOLTXBDBUPFPGI-OAHLLOKOSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192047837 922866015 /nfs/dbraw/zinc/86/60/15/922866015.db2.gz VXHPJGWYCUPWQP-AWEZNQCLSA-N 2 0 267.417 1.437 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099529363 936790349 /nfs/dbraw/zinc/79/03/49/936790349.db2.gz OTQVTXQONZVVIT-FZKCQIBNSA-N 2 0 291.439 1.293 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001036054218 923094859 /nfs/dbraw/zinc/09/48/59/923094859.db2.gz JXPIUDPCEQJUAK-UKRRQHHQSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001036112678 923105293 /nfs/dbraw/zinc/10/52/93/923105293.db2.gz MESIQIXOLFDJEI-XJKSGUPXSA-N 2 0 296.374 1.408 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192948956 923331770 /nfs/dbraw/zinc/33/17/70/923331770.db2.gz YZJSLFDUNFVPJJ-CQSZACIVSA-N 2 0 267.417 1.437 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)C[NH+](CC)CC)C1 ZINC001100769459 936934184 /nfs/dbraw/zinc/93/41/84/936934184.db2.gz LEZHNSQCKWTLJE-UHFFFAOYSA-N 2 0 281.444 1.779 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1C ZINC001082572509 924959741 /nfs/dbraw/zinc/95/97/41/924959741.db2.gz GRECZEJNXKKKLR-RGCMKSIDSA-N 2 0 288.395 1.526 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001082570394 924960659 /nfs/dbraw/zinc/96/06/59/924960659.db2.gz KHDAEJGHHRAULZ-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCN1CCCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001197477231 925147329 /nfs/dbraw/zinc/14/73/29/925147329.db2.gz DWLJSBGQSGFHHD-UHFFFAOYSA-N 2 0 293.455 1.666 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084773443 925420413 /nfs/dbraw/zinc/42/04/13/925420413.db2.gz PTWYCKXBFGFMAK-RRFJBIMHSA-N 2 0 277.412 1.047 20 30 CDEDRP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]21 ZINC001084970362 925533001 /nfs/dbraw/zinc/53/30/01/925533001.db2.gz BRRLQXNAQJGNIR-OAGGEKHMSA-N 2 0 291.439 1.273 20 30 CDEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102373696 937055475 /nfs/dbraw/zinc/05/54/75/937055475.db2.gz IEAVQENRPGRAGX-HUUCEWRRSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001085602892 926206778 /nfs/dbraw/zinc/20/67/78/926206778.db2.gz NTNFHFSIPSHLAB-QLFBSQMISA-N 2 0 279.428 1.435 20 30 CDEDRP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001085629566 926230257 /nfs/dbraw/zinc/23/02/57/926230257.db2.gz XHXVNTHZYIBLJI-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP C[NH+]1CCN(c2cc(Nc3ccc(C#N)nc3)cc[nH+]2)CC1 ZINC001201653841 926377720 /nfs/dbraw/zinc/37/77/20/926377720.db2.gz FVPOULBSTJAFJS-UHFFFAOYSA-N 2 0 294.362 1.844 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001202297257 926524768 /nfs/dbraw/zinc/52/47/68/926524768.db2.gz XIRBYXMTDVESEO-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001086119726 926722860 /nfs/dbraw/zinc/72/28/60/926722860.db2.gz YNYRSXXUJMWXBB-QKPAOTATSA-N 2 0 289.423 1.121 20 30 CDEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC1(C#N)CC[NH+](C)CC1)C2 ZINC001169120188 927722964 /nfs/dbraw/zinc/72/29/64/927722964.db2.gz ZFGKRJYKOSXUQS-ZSOGYDGISA-N 2 0 262.401 1.189 20 30 CDEDRP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149890815 937209438 /nfs/dbraw/zinc/20/94/38/937209438.db2.gz VKSJUBYRSDFLGC-LSDHHAIUSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001252488114 928692848 /nfs/dbraw/zinc/69/28/48/928692848.db2.gz GDSRRUQCKYTYFQ-JXQTWKCFSA-N 2 0 256.390 1.012 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001252488262 928699243 /nfs/dbraw/zinc/69/92/43/928699243.db2.gz JJIIZEMCDAJDEE-LXTVHRRPSA-N 2 0 268.401 1.155 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001202502521 929105596 /nfs/dbraw/zinc/10/55/96/929105596.db2.gz DJXCBMMKCISWEY-HIFRSBDPSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241692 937338866 /nfs/dbraw/zinc/33/88/66/937338866.db2.gz MTFIWOGDVVMCOZ-LJIGWXMPSA-N 2 0 291.439 1.483 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608157 929813613 /nfs/dbraw/zinc/81/36/13/929813613.db2.gz RMIXEHUQEOZOSL-UONOGXRCSA-N 2 0 281.444 1.920 20 30 CDEDRP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135371012 930172544 /nfs/dbraw/zinc/17/25/44/930172544.db2.gz CMJJIQWVKVTFOK-UONOGXRCSA-N 2 0 285.432 1.014 20 30 CDEDRP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135375847 930177335 /nfs/dbraw/zinc/17/73/35/930177335.db2.gz OMVXQEZQDWMEPS-UONOGXRCSA-N 2 0 269.433 1.777 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135475456 930219428 /nfs/dbraw/zinc/21/94/28/930219428.db2.gz APXRFLOBJVKMLR-CABCVRRESA-N 2 0 295.471 1.861 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135979642 930579174 /nfs/dbraw/zinc/57/91/74/930579174.db2.gz IBWNOWCJOWXAPG-KBPBESRZSA-N 2 0 269.433 1.777 20 30 CDEDRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(OCC#N)cc1 ZINC000817945144 930643034 /nfs/dbraw/zinc/64/30/34/930643034.db2.gz VOHPFXYAOFHERH-AWEZNQCLSA-N 2 0 288.395 1.145 20 30 CDEDRP CCCc1cc(C#N)c(N[C@H]([NH3+])CCC[NH3+])nc1Cl ZINC001159786549 930852534 /nfs/dbraw/zinc/85/25/34/930852534.db2.gz DFACCKGWARPGCZ-NSHDSACASA-N 2 0 281.791 1.995 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854779 937477516 /nfs/dbraw/zinc/47/75/16/937477516.db2.gz WHCGSXYGKSCYHQ-CQSZACIVSA-N 2 0 281.444 1.873 20 30 CDEDRP C[NH+](C)CCN1CC[C@]2(CC[N@H+](CCCCC#N)C2)C1=O ZINC001274043159 931140563 /nfs/dbraw/zinc/14/05/63/931140563.db2.gz MLVTXAFWKPNNAB-INIZCTEOSA-N 2 0 292.427 1.166 20 30 CDEDRP C[C@H](CNC(=[NH2+])N1CCC[C@H](C)C1)[N@H+](C)C1CC1 ZINC000104192976 931325013 /nfs/dbraw/zinc/32/50/13/931325013.db2.gz FUKFNDXPWIAESM-NWDGAFQWSA-N 2 0 252.406 1.516 20 30 CDEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]CCCNCCC[NH3+] ZINC001246451612 931496028 /nfs/dbraw/zinc/49/60/28/931496028.db2.gz HWIYSINJGNHQKU-CQSZACIVSA-N 2 0 274.412 1.407 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167768 937512166 /nfs/dbraw/zinc/51/21/66/937512166.db2.gz SMMNNCYJCNQUFG-OAHLLOKOSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(Cc1ccccc1)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001144407760 931797142 /nfs/dbraw/zinc/79/71/42/931797142.db2.gz HREQFYVDLONACQ-UHFFFAOYSA-N 2 0 274.368 1.246 20 30 CDEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171247298 932118952 /nfs/dbraw/zinc/11/89/52/932118952.db2.gz LARDJQNZXUJDRP-GDBMZVCRSA-N 2 0 293.455 1.615 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC)CC1 ZINC001146608961 932271316 /nfs/dbraw/zinc/27/13/16/932271316.db2.gz BKYBGEQBRYWVLN-UONOGXRCSA-N 2 0 279.428 1.224 20 30 CDEDRP C=CCC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148216385 932670044 /nfs/dbraw/zinc/67/00/44/932670044.db2.gz PIIUPQXLPADWLL-UHFFFAOYSA-N 2 0 265.401 1.049 20 30 CDEDRP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1ccccc1CC#N)C2 ZINC001276242303 932676098 /nfs/dbraw/zinc/67/60/98/932676098.db2.gz JSJVKESPABXAHI-UHFFFAOYSA-N 2 0 298.434 1.432 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001148543015 932735349 /nfs/dbraw/zinc/73/53/49/932735349.db2.gz TYEQAQDIGMVOAA-UHFFFAOYSA-N 2 0 265.401 1.049 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001091737695 932763770 /nfs/dbraw/zinc/76/37/70/932763770.db2.gz HRYOJGDWECFWOD-INMHGKMJSA-N 2 0 291.439 1.293 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956458 933198004 /nfs/dbraw/zinc/19/80/04/933198004.db2.gz JVJPPZGNYPLTDJ-KFWWJZLASA-N 2 0 291.439 1.626 20 30 CDEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120129647 937782260 /nfs/dbraw/zinc/78/22/60/937782260.db2.gz LKJTWBNBZXWESI-OAHLLOKOSA-N 2 0 293.455 1.923 20 30 CDEDRP C[C@H]1CNC(NN=C2CCCC[C@H]2[NH+]2CCCCC2)=[NH+]1 ZINC000779795837 934712793 /nfs/dbraw/zinc/71/27/93/934712793.db2.gz YXWWHMXRAFZAQK-GXTWGEPZSA-N 2 0 277.416 1.708 20 30 CDEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001017618663 935644360 /nfs/dbraw/zinc/64/43/60/935644360.db2.gz UEELWLNJPMFEDD-OWCLPIDISA-N 2 0 291.439 1.578 20 30 CDEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001017616731 935644489 /nfs/dbraw/zinc/64/44/89/935644489.db2.gz HCOJJROGAZIFHG-GASCZTMLSA-N 2 0 291.439 1.722 20 30 CDEDRP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046329676 935941876 /nfs/dbraw/zinc/94/18/76/935941876.db2.gz BXRPYZIPABOGQO-ZMSDIMECSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)CCC)C2)C1 ZINC001122106669 937905658 /nfs/dbraw/zinc/90/56/58/937905658.db2.gz NCXOFFWRQCOOFH-UHFFFAOYSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156465912 938370566 /nfs/dbraw/zinc/37/05/66/938370566.db2.gz HRQFJNRGBJQTOW-CQSZACIVSA-N 2 0 267.417 1.178 20 30 CDEDRP CN(c1ncc2c(c1C#N)CCC[NH2+]C2)[C@]1(C)CCC[NH2+]C1 ZINC001156947366 938437424 /nfs/dbraw/zinc/43/74/24/938437424.db2.gz IXOGIOQIYAYRTE-QGZVFWFLSA-N 2 0 299.422 1.567 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158197246 938593405 /nfs/dbraw/zinc/59/34/05/938593405.db2.gz UORBRGPLEHZKBD-ZBFHGGJFSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1C ZINC001158472888 938628569 /nfs/dbraw/zinc/62/85/69/938628569.db2.gz FTPNZUATRRRCKZ-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001159628926 938742380 /nfs/dbraw/zinc/74/23/80/938742380.db2.gz RCOLRNABJPBCGI-OAHLLOKOSA-N 2 0 277.412 1.405 20 30 CDEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001160479165 938790413 /nfs/dbraw/zinc/79/04/13/938790413.db2.gz RACBIUWLSPZGJW-MRXNPFEDSA-N 2 0 291.439 1.488 20 30 CDEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001160479188 938790577 /nfs/dbraw/zinc/79/05/77/938790577.db2.gz SEZBSAPCBYQCNF-MRXNPFEDSA-N 2 0 291.439 1.488 20 30 CDEDRP Cc1cnc(-n2cc(CC[NH3+])c3c[nH+]ccc32)c(C#N)n1 ZINC001160950482 938847908 /nfs/dbraw/zinc/84/79/08/938847908.db2.gz NNKIMHNGDAZHLK-UHFFFAOYSA-N 2 0 278.319 1.497 20 30 CDEDRP C[C@H]1CC[N@H+](Cc2ccc(C#N)nc2)CC[C@H]1C[NH3+] ZINC001205626533 939909964 /nfs/dbraw/zinc/90/99/64/939909964.db2.gz GZZBPGTTZDWTSG-JSGCOSHPSA-N 2 0 258.369 1.760 20 30 CDEDRP C=CC[NH2+]CCN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206745150 940084575 /nfs/dbraw/zinc/08/45/75/940084575.db2.gz RGVBIPWNMUCBDC-UHFFFAOYSA-N 2 0 273.424 1.755 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206871468 940105522 /nfs/dbraw/zinc/10/55/22/940105522.db2.gz MQTKNELFKUAELY-INIZCTEOSA-N 2 0 293.455 1.733 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001206948157 940116412 /nfs/dbraw/zinc/11/64/12/940116412.db2.gz XPOGVBFHWIQKHF-GASCZTMLSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209454941 940592125 /nfs/dbraw/zinc/59/21/25/940592125.db2.gz PLIOAGKOUKGSJT-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214754783 940838410 /nfs/dbraw/zinc/83/84/10/940838410.db2.gz HBIKROVKYQJSRX-RBSFLKMASA-N 2 0 299.434 1.679 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847844 940840839 /nfs/dbraw/zinc/84/08/39/940840839.db2.gz VFBBXOFFCJEPSM-ZIAGYGMSSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215414042 940884879 /nfs/dbraw/zinc/88/48/79/940884879.db2.gz POVTUOCQZJAONB-ZIAGYGMSSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C1CC[NH2+]C[C@@H]1Oc1cccc(N2CC[NH2+]CC2)c1 ZINC001218206634 941043908 /nfs/dbraw/zinc/04/39/08/941043908.db2.gz DOGMEHUDRJJUMU-INIZCTEOSA-N 2 0 273.380 1.393 20 30 CDEDRP Cc1nc(C#N)c(NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)o1 ZINC001218649520 941251808 /nfs/dbraw/zinc/25/18/08/941251808.db2.gz CYLMQWUHHRQBAA-NSHDSACASA-N 2 0 293.371 1.289 20 30 CDEDRP Cc1coc(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1C#N ZINC001218763561 941267845 /nfs/dbraw/zinc/26/78/45/941267845.db2.gz AITQVIBITLSDOE-LBPRGKRZSA-N 2 0 288.351 1.272 20 30 CDEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219345582 941333371 /nfs/dbraw/zinc/33/33/71/941333371.db2.gz UWLYABFNWVXKPS-INIZCTEOSA-N 2 0 294.358 1.525 20 30 CDEDRP N#C[C@@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ccccc1 ZINC001219557454 941355280 /nfs/dbraw/zinc/35/52/80/941355280.db2.gz AKBVGAJJWMYYQL-LSDHHAIUSA-N 2 0 298.390 1.242 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001223465454 941679289 /nfs/dbraw/zinc/67/92/89/941679289.db2.gz HQQDFFAZNHMLCT-OAHLLOKOSA-N 2 0 279.428 1.341 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)C[N@@H+](C)CCC)CC1 ZINC001225252141 941833811 /nfs/dbraw/zinc/83/38/11/941833811.db2.gz MZBHVJRCYNHCAG-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001226332809 941988853 /nfs/dbraw/zinc/98/88/53/941988853.db2.gz AZVWDMCBEDESNX-KLHDSHLOSA-N 2 0 293.455 1.920 20 30 CDEDRP C[NH+](C)CCN1CCO[C@@]2(CCC[N@H+](CCCC#N)C2)C1 ZINC001277944923 944154510 /nfs/dbraw/zinc/15/45/10/944154510.db2.gz GGPZURPZBPKIHQ-MRXNPFEDSA-N 2 0 294.443 1.019 20 30 CDEDRP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](CCCC[NH3+])C2 ZINC001235521413 944185068 /nfs/dbraw/zinc/18/50/68/944185068.db2.gz HFJQOBJQQAWXGG-HOTGVXAUSA-N 2 0 282.428 1.799 20 30 CDEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+](CCCC[NH3+])CC2 ZINC001235574764 944205736 /nfs/dbraw/zinc/20/57/36/944205736.db2.gz LJXHUWPXYVKKFK-INIZCTEOSA-N 2 0 279.428 1.758 20 30 CDEDRP Cn1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1C#N ZINC001236314699 944465904 /nfs/dbraw/zinc/46/59/04/944465904.db2.gz FPBZGPODWXLVLA-OKILXGFUSA-N 2 0 258.369 1.328 20 30 CDEDRP C[C@H](C[NH2+]CCC(=O)Nc1cccc(C#N)c1)C[NH+](C)C ZINC001262565836 946714980 /nfs/dbraw/zinc/71/49/80/946714980.db2.gz XFMCZQKAXBGAHU-CYBMUJFWSA-N 2 0 288.395 1.674 20 30 CDEDRP C[NH+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254649709 947573096 /nfs/dbraw/zinc/57/30/96/947573096.db2.gz VMWPWHRADJUDGW-ZQDZILKHSA-N 2 0 292.427 1.257 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])N[C@@H]1CC[C@@H](C#N)C1 ZINC001254654861 947575781 /nfs/dbraw/zinc/57/57/81/947575781.db2.gz XQILUVILJXEWLP-VXGBXAGGSA-N 2 0 251.378 1.134 20 30 CDEDRP C=CCOC[C@@H](O)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246022834 947904685 /nfs/dbraw/zinc/90/46/85/947904685.db2.gz PGJASVGAXVQJFV-KBPBESRZSA-N 2 0 256.390 1.001 20 30 CDEDRP CCCCCCCC[C@@H](O)CN1CC[NH2+]C[C@@H](O)C1 ZINC001246029873 947908916 /nfs/dbraw/zinc/90/89/16/947908916.db2.gz DDOFQFBYLHHDGA-HUUCEWRRSA-N 2 0 272.433 1.364 20 30 CDEDRP CC(C)([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1ccc(C#N)cc1 ZINC001246180289 948011826 /nfs/dbraw/zinc/01/18/26/948011826.db2.gz VAUMTBOGNYJCRB-OAHLLOKOSA-N 2 0 284.407 1.477 20 30 CDEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246528760 948229275 /nfs/dbraw/zinc/22/92/75/948229275.db2.gz XYIREGRCFSRJAY-BLLLJJGKSA-N 3 0 274.412 1.794 20 30 CDEDRP C=CCOC1CCC([N@@H+]2CCC[C@](O)(C[NH3+])CC2)CC1 ZINC001246552891 948258198 /nfs/dbraw/zinc/25/81/98/948258198.db2.gz PYYIPCJQTRSVGG-UYSNPLJNSA-N 2 0 282.428 1.676 20 30 CDEDRP CC[C@H](CC#N)[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256681591 948393432 /nfs/dbraw/zinc/39/34/32/948393432.db2.gz YADMDMRAFFSAII-WLYUNCDWSA-N 2 0 265.401 1.912 20 30 CDEDRP CCOC(=O)CC1([NH3+])CC[NH+](C2CCC(C#N)CC2)CC1 ZINC001256964935 948465255 /nfs/dbraw/zinc/46/52/55/948465255.db2.gz IKYSCYUXKCSSPK-UHFFFAOYSA-N 2 0 293.411 1.815 20 30 CDEDRP N#Cc1ccc(C2CCC([NH2+]C[C@H](O)C[NH3+])CC2)cc1 ZINC001257009467 948480431 /nfs/dbraw/zinc/48/04/31/948480431.db2.gz LFMFFHOPPOACMJ-UYSNPLJNSA-N 2 0 273.380 1.494 20 30 CDEDRP C=C1C[C@@H]2CC([NH2+]CCN(CC[NH3+])N(O)N=O)C[C@H](C1)C2 ZINC001257890473 948656538 /nfs/dbraw/zinc/65/65/38/948656538.db2.gz NUCNVAKUTZYUCT-PBWFPOADSA-N 2 0 297.403 1.259 20 30 CDEDRP C#CCOC[C@H](O)C[NH2+]CC1CC[NH+](CC(C)(C)C)CC1 ZINC001251896919 950932568 /nfs/dbraw/zinc/93/25/68/950932568.db2.gz PXVPMHVJRNRZSD-MRXNPFEDSA-N 2 0 296.455 1.345 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]CCC[NH+]1CCCCC1 ZINC001252487904 951354853 /nfs/dbraw/zinc/35/48/53/951354853.db2.gz BHJNPQVHSFCULT-CQSZACIVSA-N 2 0 256.390 1.016 20 30 CDEDRP CC(C)(C)[NH2+]C[C@@H](O)CN1CCC(C)(C#N)CC1 ZINC001253394691 951876722 /nfs/dbraw/zinc/87/67/22/951876722.db2.gz RIVHPWBZAANGJN-GFCCVEGCSA-N 2 0 253.390 1.361 20 30 CDEDRP OC1(C[NH2+]CCS)CC[NH+](Cc2ccccc2)CC1 ZINC001254047285 952174283 /nfs/dbraw/zinc/17/42/83/952174283.db2.gz NZXHDCWVMLWOLK-UHFFFAOYSA-N 2 0 280.437 1.533 20 30 CDEDRP N#Cc1cccnc1NCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001325239465 953790087 /nfs/dbraw/zinc/79/00/87/953790087.db2.gz MUEIXPJWCRSCOX-HUUCEWRRSA-N 2 0 285.395 1.582 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001368499253 958901707 /nfs/dbraw/zinc/90/17/07/958901707.db2.gz ABZHPPBRIXSPKF-BNOWGMLFSA-N 2 0 299.846 1.565 20 30 CDEDRP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001335369596 959750538 /nfs/dbraw/zinc/75/05/38/959750538.db2.gz WYDJRZUHMVDDOE-QWHCGFSZSA-N 2 0 253.390 1.219 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](Cc1ccccc1)[NH2+]C ZINC001341027693 963242802 /nfs/dbraw/zinc/24/28/02/963242802.db2.gz KGJWQOBINGKUBD-CVEARBPZSA-N 2 0 289.423 1.617 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001446250916 966498205 /nfs/dbraw/zinc/49/82/05/966498205.db2.gz FXSKUDSDXCUKGI-NSHDSACASA-N 2 0 273.808 1.318 20 30 CDEDRP C=CC[C@@H](NCC1CC[NH+](C)CC1)C(=O)OCC ZINC001352023360 967066459 /nfs/dbraw/zinc/06/64/59/967066459.db2.gz VAFDWHZKQZENJG-CYBMUJFWSA-N 2 0 254.374 1.426 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001100319178 968005882 /nfs/dbraw/zinc/00/58/82/968005882.db2.gz APLHWSAOVXABCN-GPANFISMSA-N 2 0 291.439 1.367 20 30 CDEDRP C#CC[NH2+]CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001353533985 968052218 /nfs/dbraw/zinc/05/22/18/968052218.db2.gz CFIBOOVJCRPFOM-INIZCTEOSA-N 2 0 291.439 1.324 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200637482 968669685 /nfs/dbraw/zinc/66/96/85/968669685.db2.gz UVUHDFSWIUJRPQ-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CCCO1 ZINC001200858485 969031917 /nfs/dbraw/zinc/03/19/17/969031917.db2.gz GIMAUBLGBHUAAC-CQSZACIVSA-N 2 0 297.443 1.110 20 30 CDEDRP C[NH+]=C(NCC[N@@H+]1CC[C@@H](C)C1)NCc1ccco1 ZINC000849004911 969397599 /nfs/dbraw/zinc/39/75/99/969397599.db2.gz HVSWPXHXKJVCEJ-GFCCVEGCSA-N 2 0 264.373 1.286 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCC[NH+](C(C)C)C(C)C ZINC001357325725 969570313 /nfs/dbraw/zinc/57/03/13/969570313.db2.gz BRCWXSMCQXNBGV-AWEZNQCLSA-N 2 0 269.433 1.905 20 30 CDEDRP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001495591981 972547259 /nfs/dbraw/zinc/54/72/59/972547259.db2.gz YNMZVEMXOZVADU-OAHLLOKOSA-N 2 0 279.428 1.629 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132278865 1163226349 /nfs/dbraw/zinc/22/63/49/1163226349.db2.gz SCTLHRLQNNAUJF-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132410294 1163277585 /nfs/dbraw/zinc/27/75/85/1163277585.db2.gz LHJDVCDISJJKNR-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP C#CCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132411119 1163279031 /nfs/dbraw/zinc/27/90/31/1163279031.db2.gz UDHJELIIFFBMRZ-LSDHHAIUSA-N 2 0 279.428 1.321 20 30 CDEDRP C#CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001132435360 1163291147 /nfs/dbraw/zinc/29/11/47/1163291147.db2.gz CELAJQOIOYYYIQ-CVEARBPZSA-N 2 0 293.455 1.711 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001133074148 1163552122 /nfs/dbraw/zinc/55/21/22/1163552122.db2.gz YNAMDDDUGZMMBZ-CVEARBPZSA-N 2 0 293.455 1.426 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001133347362 1163649744 /nfs/dbraw/zinc/64/97/44/1163649744.db2.gz WIJPIGCBJWOEHB-HOTGVXAUSA-N 2 0 293.455 1.424 20 30 CDEDRP Cc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c(C#N)cn1 ZINC000591821579 342647667 /nfs/dbraw/zinc/64/76/67/342647667.db2.gz VLUHUHSKJYDMHN-OAHLLOKOSA-N 2 0 286.379 1.349 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592255983 342683196 /nfs/dbraw/zinc/68/31/96/342683196.db2.gz VLFXTXUALYBUTI-KFWWJZLASA-N 2 0 292.427 1.246 20 30 CDEDRP CCNC(=[NH2+])NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000264083150 361911308 /nfs/dbraw/zinc/91/13/08/361911308.db2.gz IDGPOFJBAMPSHK-UHFFFAOYSA-N 2 0 274.412 1.823 20 30 CDEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442791555 362091443 /nfs/dbraw/zinc/09/14/43/362091443.db2.gz JPAMSQUMVNHXNT-PMPSAXMXSA-N 2 0 278.444 1.542 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1cc(C#N)cnn1 ZINC000596148775 343244518 /nfs/dbraw/zinc/24/45/18/343244518.db2.gz MCONDUREOPCRTR-UHFFFAOYSA-N 2 0 290.415 1.058 20 30 CDEDRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000537239047 282354785 /nfs/dbraw/zinc/35/47/85/282354785.db2.gz XOTLSFHZAAXXIZ-UHFFFAOYSA-N 2 0 276.384 1.268 20 30 CDEDRP N#Cc1cccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC000602554260 350125111 /nfs/dbraw/zinc/12/51/11/350125111.db2.gz ZRPGMEGLUKPQQV-MRXNPFEDSA-N 2 0 288.395 1.280 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)cc1 ZINC000264115250 362970397 /nfs/dbraw/zinc/97/03/97/362970397.db2.gz PPQBPUMVPCWBQZ-CQSZACIVSA-N 2 0 290.411 1.584 20 30 CDEDRP CC[C@H](CNC(=[NH2+])NC)[N@@H+]1CCc2ccccc2C1 ZINC000058342024 357395488 /nfs/dbraw/zinc/39/54/88/357395488.db2.gz KTQNFWJDCVVKLA-CQSZACIVSA-N 2 0 260.385 1.357 20 30 CDEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)s1 ZINC000185862261 357586333 /nfs/dbraw/zinc/58/63/33/357586333.db2.gz SCAIBOSQRKNMNI-CYBMUJFWSA-N 2 0 292.452 1.735 20 30 CDEDRP CC(C)[NH+]1CCN(CCCN(C)CCC#N)CC1 ZINC000337251642 360045938 /nfs/dbraw/zinc/04/59/38/360045938.db2.gz NUWHACUIGFDCNX-UHFFFAOYSA-N 2 0 252.406 1.248 20 30 CDEDRP CC1CCN(C(=[NH2+])NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000122469189 370815338 /nfs/dbraw/zinc/81/53/38/370815338.db2.gz QBFWPJODRPULEU-GASCZTMLSA-N 2 0 296.459 1.532 20 30 CDEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000305083835 370853039 /nfs/dbraw/zinc/85/30/39/370853039.db2.gz NGNQZRJUHGBEJM-GJZGRUSLSA-N 2 0 252.402 1.731 20 30 CDEDRP Cn1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C#N ZINC000248829885 367405638 /nfs/dbraw/zinc/40/56/38/367405638.db2.gz IBABFRCJZLLMNF-GOEBONIOSA-N 2 0 272.396 1.813 20 30 CDEDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCCCC#N)C2)CC1 ZINC000525170938 367712442 /nfs/dbraw/zinc/71/24/42/367712442.db2.gz AQFBAWXPHYZXBB-INIZCTEOSA-N 2 0 278.444 1.781 20 30 CDEDRP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001661231284 1172357003 /nfs/dbraw/zinc/35/70/03/1172357003.db2.gz HQZVIAOIUCACQV-JKSUJKDBSA-N 2 0 295.471 1.929 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C[NH+](C)C)C(C)C ZINC000133118583 377829724 /nfs/dbraw/zinc/82/97/24/377829724.db2.gz LDIJIURHRGVUAK-AWEZNQCLSA-N 2 0 267.417 1.363 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000417534739 377877907 /nfs/dbraw/zinc/87/79/07/377877907.db2.gz WAPNTGBNWXMEKI-UKRRQHHQSA-N 2 0 294.443 1.548 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000417545633 377933956 /nfs/dbraw/zinc/93/39/56/377933956.db2.gz YFWWMNFNZIAKDA-UHFFFAOYSA-N 2 0 296.459 1.653 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000417542394 377938243 /nfs/dbraw/zinc/93/82/43/377938243.db2.gz SWIKONFPXWPCNU-AWEZNQCLSA-N 2 0 280.416 1.063 20 30 CDEDRP C=C[C@@H](CO)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000289873332 378349971 /nfs/dbraw/zinc/34/99/71/378349971.db2.gz RPKWUOOTQMEBQS-HIFRSBDPSA-N 2 0 278.396 1.825 20 30 CDEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174349782 379457816 /nfs/dbraw/zinc/45/78/16/379457816.db2.gz XDJVUPBTVKIJRB-AWEZNQCLSA-N 2 0 290.411 1.514 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(F)cc1 ZINC000104153501 390484977 /nfs/dbraw/zinc/48/49/77/390484977.db2.gz HZKFUMYYWAJACL-HNNXBMFYSA-N 2 0 292.402 1.757 20 30 CDEDRP C[NH+]=C(NCc1ccoc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000263126677 391105682 /nfs/dbraw/zinc/10/56/82/391105682.db2.gz FRYHJPNKBMCASN-HNNXBMFYSA-N 2 0 290.411 1.915 20 30 CDEDRP C=CCOCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339663513 391321305 /nfs/dbraw/zinc/32/13/05/391321305.db2.gz SCYWFIHJBDPCRA-XYPWUTKMSA-N 2 0 282.428 1.763 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000372424077 391851423 /nfs/dbraw/zinc/85/14/23/391851423.db2.gz BQAZARSJCPKQKV-AWEZNQCLSA-N 2 0 265.401 1.285 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334363635 392109164 /nfs/dbraw/zinc/10/91/64/392109164.db2.gz LWBFPSINAKAPPS-GJZGRUSLSA-N 2 0 251.418 1.520 20 30 CDEDRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CC[C@@H](C#N)C3)C2)CC1 ZINC000619672663 393178085 /nfs/dbraw/zinc/17/80/85/393178085.db2.gz MENWKZDTKUGYKQ-ILXRZTDVSA-N 2 0 276.428 1.437 20 30 CDEDRP C[C@H]([NH3+])CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423226029 397602950 /nfs/dbraw/zinc/60/29/50/397602950.db2.gz PEDJYLFUGUPIEC-AWEZNQCLSA-N 2 0 286.423 1.850 20 30 CDEDRP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404415260 413280061 /nfs/dbraw/zinc/28/00/61/413280061.db2.gz FSZHYDCNAGYQJP-LSDHHAIUSA-N 2 0 279.428 1.636 20 30 CDEDRP C=CC[C@@H](C)[C@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290900 414030827 /nfs/dbraw/zinc/03/08/27/414030827.db2.gz OBHJDAFZFZMZIQ-ZJUUUORDSA-N 2 0 250.346 1.331 20 30 CDEDRP C[NH+]=C(NCCC[NH+]1CCCCC1)NCc1ccco1 ZINC000264026691 262859078 /nfs/dbraw/zinc/85/90/78/262859078.db2.gz BOVDFCXJPFRKJT-UHFFFAOYSA-N 2 0 278.400 1.821 20 30 CDEDRP C=C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414759127 263039739 /nfs/dbraw/zinc/03/97/39/263039739.db2.gz NUZQGEHWVZRQGK-KBPBESRZSA-N 2 0 265.401 1.224 20 30 CDEDRP C[C@H]1C[N@H+](CCCNC(=[NH2+])Nc2ccccc2)CCCO1 ZINC000277294519 263040586 /nfs/dbraw/zinc/04/05/86/263040586.db2.gz KSCTXTASISDRSG-AWEZNQCLSA-N 2 0 290.411 1.914 20 30 CDEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(C#N)cs1 ZINC000185870606 267150484 /nfs/dbraw/zinc/15/04/84/267150484.db2.gz JONRZOVQWWYJBC-CYBMUJFWSA-N 2 0 292.452 1.735 20 30 CDEDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000177685216 315938932 /nfs/dbraw/zinc/93/89/32/315938932.db2.gz ZUSFIXYYKUZXBU-ZDUSSCGKSA-N 2 0 292.452 1.735 20 30 CDEDRP C=C(C)CN(CC)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341199603 328404369 /nfs/dbraw/zinc/40/43/69/328404369.db2.gz XMVOQUXQLCCZBL-UHFFFAOYSA-N 2 0 281.444 1.685 20 30 CDEDRP COCC[N@H+](C)CCCNC(=[NH2+])N1CCC(C)CC1 ZINC000171145649 329074941 /nfs/dbraw/zinc/07/49/41/329074941.db2.gz FJZVFWCCTIKHJD-UHFFFAOYSA-N 2 0 270.421 1.001 20 30 CDEDRP CN(CCCC#N)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188311761 329366013 /nfs/dbraw/zinc/36/60/13/329366013.db2.gz JVUZMPVFRPNZIL-QGZVFWFLSA-N 2 0 287.407 1.859 20 30 CDEDRP C[C@H](C[NH+]=C(N(C)C)N(C)C)[N@H+](C)Cc1ccccc1 ZINC000262549662 330020925 /nfs/dbraw/zinc/02/09/25/330020925.db2.gz XKFHSMZJNGOISV-CQSZACIVSA-N 2 0 276.428 1.986 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(C)CCCC1 ZINC000262552521 330021173 /nfs/dbraw/zinc/02/11/73/330021173.db2.gz ZEYKHJCZKOHMBF-CYBMUJFWSA-N 2 0 266.433 1.955 20 30 CDEDRP C=CC[NH+]1CCC(NC(NCC2(O)CCCC2)=[NH+]C)CC1 ZINC000262774617 330030672 /nfs/dbraw/zinc/03/06/72/330030672.db2.gz IWOPPDYEHIGXNX-UHFFFAOYSA-N 2 0 294.443 1.107 20 30 CDEDRP [NH2+]=C(NCC1CCC1)NCC1CC[NH+](C2CC2)CC1 ZINC000262830185 330034809 /nfs/dbraw/zinc/03/48/09/330034809.db2.gz ZSCOSXWGANNAKZ-UHFFFAOYSA-N 2 0 264.417 1.565 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000424136142 330272337 /nfs/dbraw/zinc/27/23/37/330272337.db2.gz ABSBAEZMJAMRQW-HUUCEWRRSA-N 2 0 292.427 1.484 20 30 CDEDRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424144515 330289954 /nfs/dbraw/zinc/28/99/54/330289954.db2.gz LKHCUVAPOUOIRW-GJZGRUSLSA-N 2 0 292.427 1.198 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)CCCC)CC1 ZINC000491494942 332222510 /nfs/dbraw/zinc/22/25/10/332222510.db2.gz GANGAYBYUBKZTA-OAHLLOKOSA-N 2 0 293.455 1.568 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2[C@@H](C)C[NH+](CC)C[C@@H]2C)CC1 ZINC000491631254 332253869 /nfs/dbraw/zinc/25/38/69/332253869.db2.gz QAYSDJRBZNKWKU-GJZGRUSLSA-N 2 0 291.439 1.273 20 30 CDEDRP C[NH+]1CCN(c2cc[nH+]cc2N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000565695829 334588197 /nfs/dbraw/zinc/58/81/97/334588197.db2.gz NEMRQMWWVATBNC-UONOGXRCSA-N 2 0 285.395 1.938 20 30 CDEDRP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001752157795 1159457044 /nfs/dbraw/zinc/45/70/44/1159457044.db2.gz LFFPFVUBCFMIHZ-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001754920195 1159488081 /nfs/dbraw/zinc/48/80/81/1159488081.db2.gz WULLAHVINJQXDH-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001100900138 1160461589 /nfs/dbraw/zinc/46/15/89/1160461589.db2.gz SEWLJDAWPIOVEA-UHFFFAOYSA-N 2 0 279.428 1.226 20 30 CDEDRP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCC[C@H](C)C2)C1 ZINC000303878766 1186580809 /nfs/dbraw/zinc/58/08/09/1186580809.db2.gz JHBWTCUQYNXUKW-UONOGXRCSA-N 2 0 266.433 1.765 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](CCCC)CC1 ZINC000764505888 575916732 /nfs/dbraw/zinc/91/67/32/575916732.db2.gz IHDYLHULWSPFPK-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C(C[NH+]1CCCCC1)NN=C1CC[N@@H+]2CCC[C@H]12 ZINC000765573539 576039099 /nfs/dbraw/zinc/03/90/99/576039099.db2.gz LNKNCNIYOGKCBL-CQSZACIVSA-N 2 0 250.390 1.286 20 30 CDEDRP C#CCC[N@H+]1CCCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000982706576 613002703 /nfs/dbraw/zinc/00/27/03/613002703.db2.gz SMGCWJRKISPQGS-UHFFFAOYSA-N 2 0 291.439 1.276 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000971521855 613083113 /nfs/dbraw/zinc/08/31/13/613083113.db2.gz FFFJWOJUBXJGMO-CABCVRRESA-N 2 0 277.412 1.025 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000971833380 613095321 /nfs/dbraw/zinc/09/53/21/613095321.db2.gz WVTLKCHMTAXLIQ-HNNXBMFYSA-N 2 0 296.374 1.422 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947502402 613238173 /nfs/dbraw/zinc/23/81/73/613238173.db2.gz NZZDNXDGBOYCKE-DZGCQCFKSA-N 2 0 296.374 1.550 20 30 CDEDRP C=C(C)C[N@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000981332761 613310514 /nfs/dbraw/zinc/31/05/14/613310514.db2.gz FMEHPAQXOYJIQV-HNNXBMFYSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948041003 613334884 /nfs/dbraw/zinc/33/48/84/613334884.db2.gz WYMRNUIHRRHJBE-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC000960836798 613345962 /nfs/dbraw/zinc/34/59/62/613345962.db2.gz KKSBEZKDOQZDKH-ZSHCYNCHSA-N 2 0 296.374 1.570 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000970799428 613348531 /nfs/dbraw/zinc/34/85/31/613348531.db2.gz CATWFUXYUQMLEH-HZPDHXFCSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000970720556 613384614 /nfs/dbraw/zinc/38/46/14/613384614.db2.gz USSQIWMGTBVISD-GFCCVEGCSA-N 2 0 271.792 1.025 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000970795201 613385007 /nfs/dbraw/zinc/38/50/07/613385007.db2.gz ANPSZTYSUIPJMB-KGLIPLIRSA-N 2 0 299.846 1.804 20 30 CDEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000969144809 613544675 /nfs/dbraw/zinc/54/46/75/613544675.db2.gz UKIQVEDUSYKXQL-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000971522248 613617759 /nfs/dbraw/zinc/61/77/59/613617759.db2.gz JJFKEBFWQNTZEA-HUUCEWRRSA-N 2 0 279.428 1.578 20 30 CDEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000969659431 613662081 /nfs/dbraw/zinc/66/20/81/613662081.db2.gz FRORVIVUYKCSFR-HIFRSBDPSA-N 2 0 279.428 1.482 20 30 CDEDRP C=CC[N@@H+]1CCCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000982120244 613677648 /nfs/dbraw/zinc/67/76/48/613677648.db2.gz QATQZQSHVNGIQU-UHFFFAOYSA-N 2 0 289.423 1.193 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549911 613727101 /nfs/dbraw/zinc/72/71/01/613727101.db2.gz ZRKOGOWXDAZQIW-KGLIPLIRSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942556367 613779012 /nfs/dbraw/zinc/77/90/12/613779012.db2.gz ZWOQBOKVSYTZJX-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975056611 613826387 /nfs/dbraw/zinc/82/63/87/613826387.db2.gz YAZUKZMCWUIBNQ-KBPBESRZSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC000965065067 613857865 /nfs/dbraw/zinc/85/78/65/613857865.db2.gz UPQGFUZETFAPCY-HOUHCIJLSA-N 2 0 291.439 1.674 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000963829615 613858391 /nfs/dbraw/zinc/85/83/91/613858391.db2.gz AJDAFEVRIWFRTI-KBMGIXFMSA-N 2 0 291.439 1.530 20 30 CDEDRP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000963157591 613859677 /nfs/dbraw/zinc/85/96/77/613859677.db2.gz OTVKBSHZGUXEKL-YMAMQOFZSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000970788993 613863349 /nfs/dbraw/zinc/86/33/49/613863349.db2.gz RZQNBFMPRCUZQZ-CQSZACIVSA-N 2 0 265.401 1.239 20 30 CDEDRP C[C@H](C[NH2+]CC#Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000892928733 617914368 /nfs/dbraw/zinc/91/43/68/617914368.db2.gz NRHKGQZXCCVNHY-QGZVFWFLSA-N 2 0 285.435 1.511 20 30 CDEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1csc(C#N)c1 ZINC000894459131 618898072 /nfs/dbraw/zinc/89/80/72/618898072.db2.gz DGEMIAVMQTZKRS-UHFFFAOYSA-N 2 0 280.441 1.545 20 30 CDEDRP C=CC[N@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)C(C)C ZINC000903884380 626132267 /nfs/dbraw/zinc/13/22/67/626132267.db2.gz YBOSMFHSVKDEET-AWEZNQCLSA-N 2 0 264.417 1.742 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000911765832 629482439 /nfs/dbraw/zinc/48/24/39/629482439.db2.gz ASUIWZOJKQFDNI-STQMWFEESA-N 2 0 253.390 1.271 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000911833608 629563927 /nfs/dbraw/zinc/56/39/27/629563927.db2.gz YUJUVNWQTKYJSE-TZMCWYRMSA-N 2 0 255.406 1.550 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000913522647 630528074 /nfs/dbraw/zinc/52/80/74/630528074.db2.gz RYABOGGAMHRUDJ-KRWDZBQOSA-N 2 0 299.418 1.190 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129417143 1162471324 /nfs/dbraw/zinc/47/13/24/1162471324.db2.gz LQZWWIKLFNOFFP-CQSZACIVSA-N 2 0 267.417 1.531 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130556338 1162663436 /nfs/dbraw/zinc/66/34/36/1162663436.db2.gz BQAAAAALRVLAHB-UHFFFAOYSA-N 2 0 276.384 1.190 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133684077 1163842821 /nfs/dbraw/zinc/84/28/21/1163842821.db2.gz CMZDXRNVVVLFLN-GFCCVEGCSA-N 2 0 275.824 1.565 20 30 CDEDRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CC#Cc2ccccc2)C1 ZINC001133853671 1163926674 /nfs/dbraw/zinc/92/66/74/1163926674.db2.gz OCOLQYWLRYVGLN-INIZCTEOSA-N 2 0 299.418 1.086 20 30 CDEDRP CC#CCN1CC[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001014940261 1166930635 /nfs/dbraw/zinc/93/06/35/1166930635.db2.gz JGVQMCDIYAAOBP-CYBMUJFWSA-N 2 0 282.347 1.390 20 30 CDEDRP C=CC[N@@H+](C)CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001567752108 1168951430 /nfs/dbraw/zinc/95/14/30/1168951430.db2.gz FSEZTFYMSOWDFU-HNNXBMFYSA-N 2 0 281.444 1.683 20 30 CDEDRP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001567874168 1169037462 /nfs/dbraw/zinc/03/74/62/1169037462.db2.gz NKVZKXPDPAARFD-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001666425333 1173134356 /nfs/dbraw/zinc/13/43/56/1173134356.db2.gz UMPLPFSNJGHTKB-KGLIPLIRSA-N 2 0 285.407 1.433 20 30 CDEDRP C=CC[NH2+]C[C@@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001732251293 1182884776 /nfs/dbraw/zinc/88/47/76/1182884776.db2.gz LCFHTPBWHJBWPF-UKRRQHHQSA-N 2 0 267.417 1.387 20 30 CDEDRP C=CC[N@@H+](CCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001752277134 1184848440 /nfs/dbraw/zinc/84/84/40/1184848440.db2.gz FYSWZRDAGFXFMS-UHFFFAOYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001752730615 1184901693 /nfs/dbraw/zinc/90/16/93/1184901693.db2.gz HADSJSOWFBOEGF-ZNMIVQPWSA-N 2 0 277.412 1.141 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001752841084 1184929033 /nfs/dbraw/zinc/92/90/33/1184929033.db2.gz OLVPQBPBYBCLFC-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001753190042 1185111299 /nfs/dbraw/zinc/11/12/99/1185111299.db2.gz XGACUUVPSBJXFS-UHFFFAOYSA-N 2 0 267.417 1.485 20 30 CDEDRP C=C(C)C[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001753639083 1185281322 /nfs/dbraw/zinc/28/13/22/1185281322.db2.gz ZYUAMUACGWAVSG-ZDUSSCGKSA-N 2 0 265.401 1.000 20 30 CDEDRP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001753810011 1185340962 /nfs/dbraw/zinc/34/09/62/1185340962.db2.gz UTUQTMAQAGZGEQ-GJZGRUSLSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001754252698 1185531356 /nfs/dbraw/zinc/53/13/56/1185531356.db2.gz GVUXOZVQXYTIOU-ZBFHGGJFSA-N 2 0 279.428 1.533 20 30 CDEDRP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001754343127 1185590160 /nfs/dbraw/zinc/59/01/60/1185590160.db2.gz NZZMBPLTOXOHOI-RDJZCZTQSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC001754602876 1185679512 /nfs/dbraw/zinc/67/95/12/1185679512.db2.gz CLKQYVPDJBZPBF-GJZGRUSLSA-N 2 0 281.444 1.872 20 30 CDEDRP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001754711133 1185711810 /nfs/dbraw/zinc/71/18/10/1185711810.db2.gz VCENYXNXUJYJSK-KRWDZBQOSA-N 2 0 293.455 1.570 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001754711422 1185712692 /nfs/dbraw/zinc/71/26/92/1185712692.db2.gz AMEGWWWLWOLFEB-QGZVFWFLSA-N 2 0 293.455 1.877 20 30 CDEDRP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000303882353 1186580998 /nfs/dbraw/zinc/58/09/98/1186580998.db2.gz LJJGJKITKKDFBW-MRXNPFEDSA-N 2 0 288.439 1.865 20 30 CDEDRP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001024801253 818019274 /nfs/dbraw/zinc/01/92/74/818019274.db2.gz LSXXUAGRLZOPCS-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046587497 818304133 /nfs/dbraw/zinc/30/41/33/818304133.db2.gz CTRMNYRSJQCDOD-INIZCTEOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(Cl)CN1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023744743 818306379 /nfs/dbraw/zinc/30/63/79/818306379.db2.gz UNJQDQSVIJITCE-KBPBESRZSA-N 2 0 299.846 1.519 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000837005979 818348735 /nfs/dbraw/zinc/34/87/35/818348735.db2.gz XUUQPVBFPPQCPY-ZDUSSCGKSA-N 2 0 253.390 1.047 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002053950 818369024 /nfs/dbraw/zinc/36/90/24/818369024.db2.gz VPYIPVVROGSRPK-UHFFFAOYSA-N 2 0 291.439 1.487 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH]cn3)C[C@H]2C1 ZINC001049106860 818475904 /nfs/dbraw/zinc/47/59/04/818475904.db2.gz MTAXXSQBNXGLFO-MCIONIFRSA-N 2 0 288.395 1.165 20 30 CDEDRP CC[C@]1(C)CCN(C(NC[C@@H]2CC[N@H+](C)C2)=[NH+]C)C1 ZINC000261712734 818506711 /nfs/dbraw/zinc/50/67/11/818506711.db2.gz HJXWCCMXMMXHHG-DZGCQCFKSA-N 2 0 266.433 1.636 20 30 CDEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001041678640 818674712 /nfs/dbraw/zinc/67/47/12/818674712.db2.gz JPBHWFUFZQRXIO-NVXWUHKLSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001038431179 818784516 /nfs/dbraw/zinc/78/45/16/818784516.db2.gz HHCTVZVINTYSKO-GJZGRUSLSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075905991 818814877 /nfs/dbraw/zinc/81/48/77/818814877.db2.gz CZTZZQIKECKHKB-ARFHVFGLSA-N 2 0 289.423 1.027 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001022221084 818835606 /nfs/dbraw/zinc/83/56/06/818835606.db2.gz XFNGXACZCSFMOA-XHSDSOJGSA-N 2 0 289.423 1.121 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001032628221 818842314 /nfs/dbraw/zinc/84/23/14/818842314.db2.gz SZLAVADHYTYMTI-PMPSAXMXSA-N 2 0 291.439 1.580 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001036208005 818937816 /nfs/dbraw/zinc/93/78/16/818937816.db2.gz ILOBBJLPZCFLOB-HOCLYGCPSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000998867300 819073751 /nfs/dbraw/zinc/07/37/51/819073751.db2.gz QMPIMPSYZWRBQW-NRXISQOPSA-N 2 0 277.412 1.073 20 30 CDEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031584551 819089383 /nfs/dbraw/zinc/08/93/83/819089383.db2.gz FXRGGGAEGBELHL-CQSZACIVSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001020432150 819199121 /nfs/dbraw/zinc/19/91/21/819199121.db2.gz CSVGYSWLMJLCSU-KKUMJFAQSA-N 2 0 277.412 1.284 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033661061 819220729 /nfs/dbraw/zinc/22/07/29/819220729.db2.gz KLQBCGZRKQCMBH-ZIAGYGMSSA-N 2 0 265.401 1.047 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCCCC[N@@H+]2CCCC[C@H]2C)N1 ZINC000848989318 819233100 /nfs/dbraw/zinc/23/31/00/819233100.db2.gz NQUOPDMUZUAPPH-CHWSQXEVSA-N 2 0 252.406 1.578 20 30 CDEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000304821769 819238353 /nfs/dbraw/zinc/23/83/53/819238353.db2.gz CKXSCSKQGXWJCM-KBPBESRZSA-N 2 0 284.448 1.390 20 30 CDEDRP C[C@H](NC[C@H]([NH3+])C1CC1)c1ccc(OCC#N)cc1 ZINC000817965905 819281425 /nfs/dbraw/zinc/28/14/25/819281425.db2.gz WWKQOFUCEAIRCT-NHYWBVRUSA-N 2 0 259.353 1.977 20 30 CDEDRP CC#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001033689730 819373835 /nfs/dbraw/zinc/37/38/35/819373835.db2.gz IZVJLEBMWGAWPF-HOTGVXAUSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015061576 819379428 /nfs/dbraw/zinc/37/94/28/819379428.db2.gz WMEWOBUTXYZVEH-HZPDHXFCSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001016969169 819386322 /nfs/dbraw/zinc/38/63/22/819386322.db2.gz JWKNILHNTZNVKK-ZIAGYGMSSA-N 2 0 277.412 1.095 20 30 CDEDRP C#CC(C)(C)[NH+](C)CCOCC[N@@H+](C)C(C)(C)C#C ZINC000794575550 819390281 /nfs/dbraw/zinc/39/02/81/819390281.db2.gz ZOVAQSCMMFIJPP-UHFFFAOYSA-N 2 0 264.413 1.690 20 30 CDEDRP C=CCN1CC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001038303677 819449714 /nfs/dbraw/zinc/44/97/14/819449714.db2.gz BOADFQSKIHYCJX-ZDUSSCGKSA-N 2 0 293.436 1.800 20 30 CDEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000985614723 819489672 /nfs/dbraw/zinc/48/96/72/819489672.db2.gz LRCKLDAYONBSAT-UHFFFAOYSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999352203 819552386 /nfs/dbraw/zinc/55/23/86/819552386.db2.gz JAJPLALRUBSZJW-JKSUJKDBSA-N 2 0 291.439 1.463 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997186976 819567038 /nfs/dbraw/zinc/56/70/38/819567038.db2.gz LKFHMRXCQIYJHM-UHFFFAOYSA-N 2 0 277.412 1.239 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000998897605 819880327 /nfs/dbraw/zinc/88/03/27/819880327.db2.gz IKBLNWZSQUQOLZ-QQFBHYJXSA-N 2 0 291.439 1.177 20 30 CDEDRP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001023762237 819920498 /nfs/dbraw/zinc/92/04/98/819920498.db2.gz UXQZFCIIXZEWQJ-CVEARBPZSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001038622270 819988626 /nfs/dbraw/zinc/98/86/26/819988626.db2.gz IPQNYPFAQVHYKE-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001000914854 819992510 /nfs/dbraw/zinc/99/25/10/819992510.db2.gz BQDKHJUTRUTTSF-QWHCGFSZSA-N 2 0 285.819 1.271 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032026231 820006948 /nfs/dbraw/zinc/00/69/48/820006948.db2.gz BCMBOWBKOCRTMO-INIZCTEOSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001007456289 820029496 /nfs/dbraw/zinc/02/94/96/820029496.db2.gz FUWURIZSNKUGBI-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001000221150 820098788 /nfs/dbraw/zinc/09/87/88/820098788.db2.gz VZTNAIJPGQCMLE-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP CCC[N@@H+]1CCC[C@H]1CNC(NCc1ccco1)=[NH+]C ZINC000849028049 820192204 /nfs/dbraw/zinc/19/22/04/820192204.db2.gz ZTYMWQQAALTIPG-ZDUSSCGKSA-N 2 0 278.400 1.819 20 30 CDEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261847546 820262873 /nfs/dbraw/zinc/26/28/73/820262873.db2.gz SMDKITGDJRPDJH-BFHYXJOUSA-N 2 0 296.459 1.307 20 30 CDEDRP C=C(Cl)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000852753037 820289572 /nfs/dbraw/zinc/28/95/72/820289572.db2.gz UOWGZIQRURSKAF-AVGNSLFASA-N 2 0 258.793 1.957 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001020801859 820344804 /nfs/dbraw/zinc/34/48/04/820344804.db2.gz PBBKPMNBBZGBJL-HDJSIYSDSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001022165880 820803583 /nfs/dbraw/zinc/80/35/83/820803583.db2.gz FVWURNGVIVAQHU-MJBXVCDLSA-N 2 0 265.401 1.284 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001054830454 820841286 /nfs/dbraw/zinc/84/12/86/820841286.db2.gz OCIPTRBBQGNLCG-BLLLJJGKSA-N 2 0 298.390 1.879 20 30 CDEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]cnc3C)C2)C1 ZINC001041807738 820886352 /nfs/dbraw/zinc/88/63/52/820886352.db2.gz QTHLLJOHXYWJEP-MRXNPFEDSA-N 2 0 288.395 1.371 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001028333263 820898034 /nfs/dbraw/zinc/89/80/34/820898034.db2.gz IAVQLKCKFYOYBP-MRXNPFEDSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001002834337 821022167 /nfs/dbraw/zinc/02/21/67/821022167.db2.gz SZLZGUXNPPRWCA-HNNXBMFYSA-N 2 0 277.412 1.095 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049548107 821250723 /nfs/dbraw/zinc/25/07/23/821250723.db2.gz CEXNZKUEEWIEOO-BZUAXINKSA-N 2 0 293.455 1.968 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@@H]1CC ZINC001037937161 821265723 /nfs/dbraw/zinc/26/57/23/821265723.db2.gz YIVHOGGRNKMGGO-GXTWGEPZSA-N 2 0 276.384 1.355 20 30 CDEDRP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001027442527 821397074 /nfs/dbraw/zinc/39/70/74/821397074.db2.gz WVUVHXJWTXAZMP-MRXNPFEDSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001007743287 821659498 /nfs/dbraw/zinc/65/94/98/821659498.db2.gz GRYPMWSXNOMMHM-CVEARBPZSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001038425217 821709026 /nfs/dbraw/zinc/70/90/26/821709026.db2.gz ZGYXHBMSYJWTTM-HIFRSBDPSA-N 2 0 288.395 1.212 20 30 CDEDRP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001038338730 821807513 /nfs/dbraw/zinc/80/75/13/821807513.db2.gz ASQGNJRTAVMHJY-HOTGVXAUSA-N 2 0 291.439 1.178 20 30 CDEDRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(NC)=[NH+]C)C1 ZINC000304032084 821818914 /nfs/dbraw/zinc/81/89/14/821818914.db2.gz GOBCZJCFPABCPA-GFCCVEGCSA-N 2 0 254.422 1.682 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028657213 821845734 /nfs/dbraw/zinc/84/57/34/821845734.db2.gz WYXYYMQNCDZEHC-HNNXBMFYSA-N 2 0 289.423 1.076 20 30 CDEDRP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000303262707 821852880 /nfs/dbraw/zinc/85/28/80/821852880.db2.gz QAYSKRCSGXTUKQ-OLZOCXBDSA-N 2 0 254.422 1.810 20 30 CDEDRP N#Cc1ccc([C@@H](O)C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000923359596 821859633 /nfs/dbraw/zinc/85/96/33/821859633.db2.gz SOWYABGNDAXHFV-INIZCTEOSA-N 2 0 285.391 1.667 20 30 CDEDRP CC#CCN1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000989739034 822058078 /nfs/dbraw/zinc/05/80/78/822058078.db2.gz LVFNIVFAJIOWGI-MRXNPFEDSA-N 2 0 291.439 1.418 20 30 CDEDRP CC#CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071794322 822100507 /nfs/dbraw/zinc/10/05/07/822100507.db2.gz AJPLLXBKPTZCLW-GOEBONIOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001032609780 822101912 /nfs/dbraw/zinc/10/19/12/822101912.db2.gz KNGDUHUCFPWTTR-SOUVJXGZSA-N 2 0 279.428 1.434 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000999492723 822147867 /nfs/dbraw/zinc/14/78/67/822147867.db2.gz CCNSUJOPLNECTN-QWHCGFSZSA-N 2 0 253.390 1.093 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001050732027 822276926 /nfs/dbraw/zinc/27/69/26/822276926.db2.gz AJFSUAGDDWPJGY-UHFFFAOYSA-N 2 0 289.423 1.193 20 30 CDEDRP CC#CCN1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001039051264 822337868 /nfs/dbraw/zinc/33/78/68/822337868.db2.gz UYYXSOZLTJPSJV-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008406477 822390253 /nfs/dbraw/zinc/39/02/53/822390253.db2.gz OCUSNQWSALPQBA-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001038340766 822399658 /nfs/dbraw/zinc/39/96/58/822399658.db2.gz PDOCVXMIGIJARX-HOTGVXAUSA-N 2 0 293.455 1.731 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC=CCC1 ZINC000261985384 822521314 /nfs/dbraw/zinc/52/13/14/822521314.db2.gz JPCBLBUNXZKUIN-KGLIPLIRSA-N 2 0 264.417 1.731 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001031712455 822530247 /nfs/dbraw/zinc/53/02/47/822530247.db2.gz ZLJLLBITRYQFPY-CQSZACIVSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001015795447 822567106 /nfs/dbraw/zinc/56/71/06/822567106.db2.gz QAFYBUAHIWVPFI-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP N#CC1(c2ccccc2)CC([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1 ZINC001332312871 1167472546 /nfs/dbraw/zinc/47/25/46/1167472546.db2.gz FBACQNNTVRTQGD-YCVWASFZSA-N 2 0 255.365 1.937 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001089038669 912518417 /nfs/dbraw/zinc/51/84/17/912518417.db2.gz GRTJRNFTHWSAOC-ILXRZTDVSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001175047928 913442034 /nfs/dbraw/zinc/44/20/34/913442034.db2.gz DPGPMBAQHLNNPQ-OAHLLOKOSA-N 2 0 299.459 1.405 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106281857 913786007 /nfs/dbraw/zinc/78/60/07/913786007.db2.gz HUUAIDAIHLDZOX-OAGGEKHMSA-N 2 0 295.471 1.833 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001208260911 894158808 /nfs/dbraw/zinc/15/88/08/894158808.db2.gz HLZPZTUBAJKSTG-LSDHHAIUSA-N 2 0 297.418 1.270 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106664958 914116603 /nfs/dbraw/zinc/11/66/03/914116603.db2.gz DCGNUTKVMTYERN-OWCLPIDISA-N 2 0 293.455 1.731 20 30 CDEDRP N#Cc1ccc2cc(NC(=[NH2+])NCCCC[NH3+])ccc2n1 ZINC001167881537 901636127 /nfs/dbraw/zinc/63/61/27/901636127.db2.gz IKTMBZQUQRGSJB-UHFFFAOYSA-N 2 0 282.351 1.782 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001482236259 904023929 /nfs/dbraw/zinc/02/39/29/904023929.db2.gz CIKKPXQKBTVRRA-ZDUSSCGKSA-N 2 0 299.846 1.709 20 30 CDEDRP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000261999402 904699155 /nfs/dbraw/zinc/69/91/55/904699155.db2.gz PDFYMIWUNQLDRV-AWEZNQCLSA-N 2 0 266.433 1.811 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168031373 905952207 /nfs/dbraw/zinc/95/22/07/905952207.db2.gz ZSLOJFNZDOTJLE-LSDHHAIUSA-N 2 0 279.428 1.675 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001088336361 906948981 /nfs/dbraw/zinc/94/89/81/906948981.db2.gz BXPPPEJMWKVDRD-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001088381748 907065656 /nfs/dbraw/zinc/06/56/56/907065656.db2.gz LJZHAALYTONQJG-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001088619964 908631205 /nfs/dbraw/zinc/63/12/05/908631205.db2.gz MUGGQFKKFQBFRF-PMPSAXMXSA-N 2 0 293.455 1.729 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001224402917 909461738 /nfs/dbraw/zinc/46/17/38/909461738.db2.gz SBQLTEBJXMLEEY-MRXNPFEDSA-N 2 0 295.471 1.977 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076203808 909817677 /nfs/dbraw/zinc/81/76/77/909817677.db2.gz DODFCSWKKOVNIK-JKSUJKDBSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001094380088 910588114 /nfs/dbraw/zinc/58/81/14/910588114.db2.gz MAPFFBJUZLHQMJ-BFYDXBDKSA-N 2 0 289.423 1.075 20 30 CDEDRP C#CCOCCOCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172119262 911299112 /nfs/dbraw/zinc/29/91/12/911299112.db2.gz XIGHFSSCNOGJOK-MUJYYYPQSA-N 2 0 280.412 1.258 20 30 CDEDRP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCN(CC[NH3+])CC1 ZINC001172294824 911593785 /nfs/dbraw/zinc/59/37/85/911593785.db2.gz NJVWENOSMVNGMR-CQSZACIVSA-N 2 0 272.396 1.066 20 30 CDEDRP C[C@H](CCCC#N)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001172491239 911727522 /nfs/dbraw/zinc/72/75/22/911727522.db2.gz CVTICBMNHPFDQT-CQSZACIVSA-N 2 0 252.406 1.248 20 30 CDEDRP CC#CC[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001189912629 921717498 /nfs/dbraw/zinc/71/74/98/921717498.db2.gz CDFWYVPIJBILAY-JKSUJKDBSA-N 2 0 291.439 1.274 20 30 CDEDRP CC#CC[NH2+]CCCCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001179395015 915825072 /nfs/dbraw/zinc/82/50/72/915825072.db2.gz CNZVEFFWVMZWEC-UHFFFAOYSA-N 2 0 293.455 1.618 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179482848 915851907 /nfs/dbraw/zinc/85/19/07/915851907.db2.gz YDDWNQQDRSMAFO-ILXRZTDVSA-N 2 0 281.444 1.872 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001179499543 915863201 /nfs/dbraw/zinc/86/32/01/915863201.db2.gz VLMIZQJPNAAJNK-OAHLLOKOSA-N 2 0 281.444 1.472 20 30 CDEDRP CC(C)NC(=[NH2+])NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000303906025 935046914 /nfs/dbraw/zinc/04/69/14/935046914.db2.gz VTRLADOPJICUMB-ZDUSSCGKSA-N 2 0 254.422 1.810 20 30 CDEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001097774637 936372333 /nfs/dbraw/zinc/37/23/33/936372333.db2.gz ATMWTZNLDIQNKX-OAGGEKHMSA-N 2 0 291.439 1.626 20 30 CDEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001181941700 917483918 /nfs/dbraw/zinc/48/39/18/917483918.db2.gz LTBQVQXGXVBMII-RHSMWYFYSA-N 2 0 293.455 1.424 20 30 CDEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001182615028 918020645 /nfs/dbraw/zinc/02/06/45/918020645.db2.gz UQQRXRQVTXWZMG-ZMSDIMECSA-N 2 0 291.439 1.036 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996301157 918244579 /nfs/dbraw/zinc/24/45/79/918244579.db2.gz QWJQKABNTKZPID-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)CCc2ncc[nH]2)C[C@H]1C ZINC001184273633 918964565 /nfs/dbraw/zinc/96/45/65/918964565.db2.gz LWJOTJGFGXRCLG-ZIAGYGMSSA-N 2 0 290.411 1.603 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184585501 919202436 /nfs/dbraw/zinc/20/24/36/919202436.db2.gz PGQWNCWUISEERN-HZPDHXFCSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001184806899 919269887 /nfs/dbraw/zinc/26/98/87/919269887.db2.gz KMBBSSULQPWVIU-CQSZACIVSA-N 2 0 277.412 1.075 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001185031511 919389773 /nfs/dbraw/zinc/38/97/73/919389773.db2.gz PWMWPHKRDFBHRW-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001052250619 936579790 /nfs/dbraw/zinc/57/97/90/936579790.db2.gz IDKKTKYZFNOZDR-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052620811 936584920 /nfs/dbraw/zinc/58/49/20/936584920.db2.gz UHEZFYVRGUGASO-HNNXBMFYSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001185548273 919648719 /nfs/dbraw/zinc/64/87/19/919648719.db2.gz KZTXWHHZEGDOCZ-HOTGVXAUSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001185660141 919697637 /nfs/dbraw/zinc/69/76/37/919697637.db2.gz YOVCHAGAMKDOQF-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000999513447 919763891 /nfs/dbraw/zinc/76/38/91/919763891.db2.gz SOMOUGGFAALXCE-UONOGXRCSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CCCC[NH+]1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273541433 920558062 /nfs/dbraw/zinc/55/80/62/920558062.db2.gz AWGGOJQDCILAHT-UHFFFAOYSA-N 2 0 291.439 1.276 20 30 CDEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190238045 921925382 /nfs/dbraw/zinc/92/53/82/921925382.db2.gz IHKVPYJHLLXKJX-RBSFLKMASA-N 2 0 279.428 1.435 20 30 CDEDRP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001190247925 921934212 /nfs/dbraw/zinc/93/42/12/921934212.db2.gz UQPALTARUALLSU-HRCADAONSA-N 2 0 291.439 1.273 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001074561640 936738408 /nfs/dbraw/zinc/73/84/08/936738408.db2.gz IPQIHDDYRNGJPP-AVGNSLFASA-N 2 0 285.819 1.412 20 30 CDEDRP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001099215481 936782934 /nfs/dbraw/zinc/78/29/34/936782934.db2.gz VGJNAAXJLCQYID-HNNXBMFYSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192144717 922940190 /nfs/dbraw/zinc/94/01/90/922940190.db2.gz VWCLWNCEPSHJIO-INIZCTEOSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001192342673 923013725 /nfs/dbraw/zinc/01/37/25/923013725.db2.gz JOLQAHLRNDXYPV-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001193026820 923419331 /nfs/dbraw/zinc/41/93/31/923419331.db2.gz MHXUPCPGIJJLGV-MRXNPFEDSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000923364422 923778790 /nfs/dbraw/zinc/77/87/90/923778790.db2.gz MJEWVVMAWDUILL-LSDHHAIUSA-N 2 0 252.402 1.778 20 30 CDEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193570444 923779990 /nfs/dbraw/zinc/77/99/90/923779990.db2.gz JXQMXXOBLMWJHQ-HNNXBMFYSA-N 2 0 279.428 1.274 20 30 CDEDRP C#CCN1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000923558028 923936710 /nfs/dbraw/zinc/93/67/10/923936710.db2.gz PUEZZJZJXOLLAK-ZBFHGGJFSA-N 2 0 289.423 1.217 20 30 CDEDRP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001080310868 924534597 /nfs/dbraw/zinc/53/45/97/924534597.db2.gz HLSATBCWTTWZDI-OWCLPIDISA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001080782768 924630884 /nfs/dbraw/zinc/63/08/84/924630884.db2.gz AHWGSPDPZRPXTI-OWCLPIDISA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001100871585 936941976 /nfs/dbraw/zinc/94/19/76/936941976.db2.gz YNRJFKXALYYBFH-UHFFFAOYSA-N 2 0 291.439 1.533 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100980924 936950972 /nfs/dbraw/zinc/95/09/72/936950972.db2.gz MNDOHUJKFCCHSF-SHARSMKWSA-N 2 0 279.428 1.389 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001082507262 924951987 /nfs/dbraw/zinc/95/19/87/924951987.db2.gz JJDFAUJIMZZQCS-BZUAXINKSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001082570566 924959249 /nfs/dbraw/zinc/95/92/49/924959249.db2.gz QPQWLJSWHWCYBJ-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001082724163 924989126 /nfs/dbraw/zinc/98/91/26/924989126.db2.gz LSRRSQVXTKCTLT-MGPQQGTHSA-N 2 0 267.417 1.195 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166687253 925250815 /nfs/dbraw/zinc/25/08/15/925250815.db2.gz LBXLAMVDXFFUDY-OAHLLOKOSA-N 2 0 285.407 1.481 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001084410048 925255824 /nfs/dbraw/zinc/25/58/24/925255824.db2.gz VNNZSOXWMJLCGO-GDBMZVCRSA-N 2 0 291.439 1.580 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001410453658 925712108 /nfs/dbraw/zinc/71/21/08/925712108.db2.gz OLCYSCQNEJKYOJ-LBPRGKRZSA-N 2 0 287.835 1.517 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001085331486 925890021 /nfs/dbraw/zinc/89/00/21/925890021.db2.gz MJHZQGQARRAREV-RRFJBIMHSA-N 2 0 277.412 1.121 20 30 CDEDRP C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085589352 926196842 /nfs/dbraw/zinc/19/68/42/926196842.db2.gz JXYJNDHKOMIBPC-CVEARBPZSA-N 2 0 293.455 1.968 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001085987508 926570307 /nfs/dbraw/zinc/57/03/07/926570307.db2.gz DYGNPUKMRYXNIT-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CC)C1 ZINC001111925650 937254550 /nfs/dbraw/zinc/25/45/50/937254550.db2.gz DOBDOFAUPSQPMM-RDJZCZTQSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001169991721 928865584 /nfs/dbraw/zinc/86/55/84/928865584.db2.gz QNXTZUTZPCTHFU-GJZGRUSLSA-N 2 0 297.443 1.158 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001112966431 929609430 /nfs/dbraw/zinc/60/94/30/929609430.db2.gz YFKMMVIOPJPIEA-GOEBONIOSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001112966433 929609555 /nfs/dbraw/zinc/60/95/55/929609555.db2.gz YFKMMVIOPJPIEA-ZBFHGGJFSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608155 929813637 /nfs/dbraw/zinc/81/36/37/929813637.db2.gz RMIXEHUQEOZOSL-KBPBESRZSA-N 2 0 281.444 1.920 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134810439 929914754 /nfs/dbraw/zinc/91/47/54/929914754.db2.gz YVBZQBLTCKHZHH-CHWSQXEVSA-N 2 0 298.390 1.762 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134889445 929956634 /nfs/dbraw/zinc/95/66/34/929956634.db2.gz TVIKFRIJGQIISY-STQMWFEESA-N 2 0 284.363 1.454 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134993090 929990000 /nfs/dbraw/zinc/99/00/00/929990000.db2.gz DZIYZDSZYIJVTE-STQMWFEESA-N 2 0 284.363 1.454 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135372908 930175399 /nfs/dbraw/zinc/17/53/99/930175399.db2.gz UEVWCSCGAXEHAM-UONOGXRCSA-N 2 0 269.433 1.777 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135743597 930394607 /nfs/dbraw/zinc/39/46/07/930394607.db2.gz MTAJNABNAFSXCB-QWHCGFSZSA-N 2 0 289.851 1.954 20 30 CDEDRP N#Cc1c2ccccc2cnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170896902 930690999 /nfs/dbraw/zinc/69/09/99/930690999.db2.gz BJNUZZHSISERRT-CYBMUJFWSA-N 2 0 255.325 1.542 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001171060204 931468257 /nfs/dbraw/zinc/46/82/57/931468257.db2.gz IYIAQVWBFIRMOL-CABCVRRESA-N 2 0 299.434 1.564 20 30 CDEDRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C#N)cn1 ZINC001275034964 931639006 /nfs/dbraw/zinc/63/90/06/931639006.db2.gz TUPQWLFVBIXMAK-IRXDYDNUSA-N 2 0 299.422 1.163 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171159971 931753288 /nfs/dbraw/zinc/75/32/88/931753288.db2.gz BKOBEEAHYJHIMI-KGLIPLIRSA-N 2 0 267.417 1.389 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ccnc1C ZINC001146331381 932234369 /nfs/dbraw/zinc/23/43/69/932234369.db2.gz BIAJPXJFTQVRSO-CHWSQXEVSA-N 2 0 276.384 1.088 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146409350 932245894 /nfs/dbraw/zinc/24/58/94/932245894.db2.gz WMGKNIDJJLKKED-KGLIPLIRSA-N 2 0 267.417 1.531 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001147358685 932481915 /nfs/dbraw/zinc/48/19/15/932481915.db2.gz ILHUCEDQFQPJMA-OAHLLOKOSA-N 2 0 279.428 1.370 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001148839488 932796270 /nfs/dbraw/zinc/79/62/70/932796270.db2.gz PKZPWECRTOMAOZ-UHFFFAOYSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001086882648 932837352 /nfs/dbraw/zinc/83/73/52/932837352.db2.gz COVSXDGYKGKFDK-XHSDSOJGSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001091782977 932884709 /nfs/dbraw/zinc/88/47/09/932884709.db2.gz ONDPIOVFRIFVKE-INMHGKMJSA-N 2 0 293.455 1.683 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001155752066 937670236 /nfs/dbraw/zinc/67/02/36/937670236.db2.gz XLCYZOVDWIGBRM-UONOGXRCSA-N 2 0 290.411 1.438 20 30 CDEDRP CNC(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)=[NH+]C ZINC000303260930 935024092 /nfs/dbraw/zinc/02/40/92/935024092.db2.gz NXOGVRWZHLSBEL-LBPRGKRZSA-N 2 0 280.441 1.755 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC ZINC001037860064 935305238 /nfs/dbraw/zinc/30/52/38/935305238.db2.gz MRIDPZSBIQEYDJ-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001015703052 935581460 /nfs/dbraw/zinc/58/14/60/935581460.db2.gz ZBDQUHCSOGTHED-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001016690920 935621506 /nfs/dbraw/zinc/62/15/06/935621506.db2.gz PZCUHNZIKRVRRF-HUUCEWRRSA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001045639559 935888342 /nfs/dbraw/zinc/88/83/42/935888342.db2.gz MBAPKRHEKVFAGS-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H](C[NH2+]CC)C2)CC1 ZINC001048480425 936052362 /nfs/dbraw/zinc/05/23/62/936052362.db2.gz TZPMBJMRUHCJKP-GOEBONIOSA-N 2 0 291.439 1.036 20 30 CDEDRP Cc1cc(C#N)c(NC(=[NH2+])NCCCC[NH3+])nc1C ZINC001157097413 938453961 /nfs/dbraw/zinc/45/39/61/938453961.db2.gz VWIMMGIMASNBEB-UHFFFAOYSA-N 2 0 260.345 1.245 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001159154829 938706307 /nfs/dbraw/zinc/70/63/07/938706307.db2.gz CJOVKSFRZUIQRN-GFCCVEGCSA-N 2 0 293.814 1.515 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001159335032 938722844 /nfs/dbraw/zinc/72/28/44/938722844.db2.gz PCNJYPCPUOCJEX-CQSZACIVSA-N 2 0 267.417 1.533 20 30 CDEDRP C#CC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160407046 938785304 /nfs/dbraw/zinc/78/53/04/938785304.db2.gz VGUDAVJYAUTGTN-INIZCTEOSA-N 2 0 291.439 1.344 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160866272 938833949 /nfs/dbraw/zinc/83/39/49/938833949.db2.gz AGNSLJLEKIKXPI-LSDHHAIUSA-N 2 0 279.428 1.675 20 30 CDEDRP N#Cc1cnc(-n2cc(CC[NH3+])c3c[nH+]ccc32)cn1 ZINC001160944418 938846759 /nfs/dbraw/zinc/84/67/59/938846759.db2.gz JNIRKIQYNHJIGE-UHFFFAOYSA-N 2 0 264.292 1.188 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001161644143 938916812 /nfs/dbraw/zinc/91/68/12/938916812.db2.gz JQDZJHDMSHVMGW-OAHLLOKOSA-N 2 0 279.428 1.226 20 30 CDEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161856626 938936073 /nfs/dbraw/zinc/93/60/73/938936073.db2.gz BGZFJBYEZBFKDX-MRXNPFEDSA-N 2 0 291.439 1.653 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1[nH]ccc2ncc(C#N)c1-2 ZINC001163128398 939206671 /nfs/dbraw/zinc/20/66/71/939206671.db2.gz JWANRTYGAWVDJB-UHFFFAOYSA-N 2 0 299.382 1.713 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163223454 939229413 /nfs/dbraw/zinc/22/94/13/939229413.db2.gz ISBKFLQVKIGKGO-AWEZNQCLSA-N 2 0 299.846 1.709 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001163267610 939235994 /nfs/dbraw/zinc/23/59/94/939235994.db2.gz BCDFQQHWKOYZJX-UHFFFAOYSA-N 2 0 279.428 1.370 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001165993383 939589518 /nfs/dbraw/zinc/58/95/18/939589518.db2.gz WQXAKRXRRUVIMQ-UHFFFAOYSA-N 2 0 296.374 1.457 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001166425440 939608625 /nfs/dbraw/zinc/60/86/25/939608625.db2.gz QYGWVSCMFGLVRB-ZDUSSCGKSA-N 2 0 255.406 1.389 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001203852416 939707540 /nfs/dbraw/zinc/70/75/40/939707540.db2.gz BEKBUVYAUJGESG-GASCZTMLSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001206487317 940047649 /nfs/dbraw/zinc/04/76/49/940047649.db2.gz CBXYAMHLGIDYHD-UHFFFAOYSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207684428 940230318 /nfs/dbraw/zinc/23/03/18/940230318.db2.gz NZKJVYMLUNEGDZ-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208492008 940334937 /nfs/dbraw/zinc/33/49/37/940334937.db2.gz CFHAMIQVTPEIEV-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211241717 940740384 /nfs/dbraw/zinc/74/03/84/940740384.db2.gz WVGJRMQNMHVMPB-MRXNPFEDSA-N 2 0 291.439 1.466 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214648217 940834542 /nfs/dbraw/zinc/83/45/42/940834542.db2.gz CEOVSQXMCBYCSQ-VNQPRFMTSA-N 2 0 291.439 1.341 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001215994060 940914877 /nfs/dbraw/zinc/91/48/77/940914877.db2.gz ODXGJUXTSLXSMO-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP N#Cc1c[nH]c2cc(NC(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)ccc12 ZINC001219044334 941302664 /nfs/dbraw/zinc/30/26/64/941302664.db2.gz BTKXDLTUNYTRFK-HNNXBMFYSA-N 2 0 297.362 1.305 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221878685 941554341 /nfs/dbraw/zinc/55/43/41/941554341.db2.gz ZVDAEARRWFPKLT-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001221968796 941556361 /nfs/dbraw/zinc/55/63/61/941556361.db2.gz AEKHTNJTJUABMN-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CCC[NH+]1CCC(CNC(=O)CCC[NH+](C)C)CC1 ZINC001224268814 941736572 /nfs/dbraw/zinc/73/65/72/941736572.db2.gz JUYHQNKRNHPCAO-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP C#CCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)NC1CC[NH+](C)CC1 ZINC001276979144 941766739 /nfs/dbraw/zinc/76/67/39/941766739.db2.gz WMQOHYJWHZHJGG-PBHICJAKSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001224558859 941770070 /nfs/dbraw/zinc/77/00/70/941770070.db2.gz JOVDXQJSAMORRH-OAHLLOKOSA-N 2 0 293.455 1.733 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001227083247 942129512 /nfs/dbraw/zinc/12/95/12/942129512.db2.gz QFAHLRVKGRQAGC-OAGGEKHMSA-N 2 0 291.439 1.511 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001228604108 942341205 /nfs/dbraw/zinc/34/12/05/942341205.db2.gz XNWCBEXOVRKKHQ-BZUAXINKSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228998399 942405397 /nfs/dbraw/zinc/40/53/97/942405397.db2.gz DSYBXOYWEACIRG-CQSZACIVSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001229801509 942534390 /nfs/dbraw/zinc/53/43/90/942534390.db2.gz QVLXDSRSEZEYTN-HZPDHXFCSA-N 2 0 293.455 1.759 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001229868207 942545363 /nfs/dbraw/zinc/54/53/63/942545363.db2.gz CVUUBQDWJVYXKR-HUUCEWRRSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001263095179 943741707 /nfs/dbraw/zinc/74/17/07/943741707.db2.gz FYQYHMPSXSIEGN-ZNMIVQPWSA-N 2 0 281.444 1.907 20 30 CDEDRP C=CC[NH2+]CCN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001235791730 944275682 /nfs/dbraw/zinc/27/56/82/944275682.db2.gz CFGHDNOIMIKVKO-QZTJIDSGSA-N 2 0 285.435 1.968 20 30 CDEDRP C[C@H]([NH3+])CN(C)Cc1ccc(N(C)CCC#N)cc1 ZINC001236899596 944610891 /nfs/dbraw/zinc/61/08/91/944610891.db2.gz MNQOMUQDWBMTPW-ZDUSSCGKSA-N 2 0 260.385 1.815 20 30 CDEDRP C=CCN1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)C1=O ZINC001254510400 947473859 /nfs/dbraw/zinc/47/38/59/947473859.db2.gz VLFSIXPTUQYTFH-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CCCCCCC[C@H](O)C[NH2+][C@@H](C)CN1CC[NH2+]CC1 ZINC001245977194 947873906 /nfs/dbraw/zinc/87/39/06/947873906.db2.gz WNJUPGGBWJJPPG-IRXDYDNUSA-N 2 0 297.487 1.757 20 30 CDEDRP C[N@@H+]1CC[C@@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001255424079 947874711 /nfs/dbraw/zinc/87/47/11/947874711.db2.gz QQOFGNCCXAGESY-QGZVFWFLSA-N 2 0 298.434 1.838 20 30 CDEDRP C=CCOCc1nn([C@H]2CC[N@@H+](C)C2)c2c1C[NH2+]C2 ZINC001255432018 947884248 /nfs/dbraw/zinc/88/42/48/947884248.db2.gz OERHDJUZNCIYEW-NSHDSACASA-N 2 0 262.357 1.066 20 30 CDEDRP C=CCCCCCC[C@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC001246048960 947917756 /nfs/dbraw/zinc/91/77/56/947917756.db2.gz OSGRTDWCOYQRJP-KRWDZBQOSA-N 2 0 297.487 1.711 20 30 CDEDRP N#Cc1ccc2c(c1)CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246594998 948329521 /nfs/dbraw/zinc/32/95/21/948329521.db2.gz XCJKVNRUSPDXSU-MRXNPFEDSA-N 2 0 282.391 1.010 20 30 CDEDRP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C1CC[NH2+]CC1)CC2 ZINC001246735546 948424024 /nfs/dbraw/zinc/42/40/24/948424024.db2.gz UHHACYWNFGHYKK-QGZVFWFLSA-N 2 0 291.439 1.772 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC001252481681 951340189 /nfs/dbraw/zinc/34/01/89/951340189.db2.gz FQXHHONUVISVST-HNNXBMFYSA-N 2 0 270.417 1.262 20 30 CDEDRP C=CCOC[C@H](O)C[NH2+]C1CC[NH+](CC2CCC2)CC1 ZINC001252490603 951360948 /nfs/dbraw/zinc/36/09/48/951360948.db2.gz JRCPTUCSRMIYQG-MRXNPFEDSA-N 2 0 282.428 1.404 20 30 CDEDRP C=C[C@](C)(O)C[NH2+]CCc1ccc(C[NH+](C)C)cc1 ZINC001252577240 951469681 /nfs/dbraw/zinc/46/96/81/951469681.db2.gz XATOIFGRGJSMMA-INIZCTEOSA-N 2 0 262.397 1.817 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001252589218 951482531 /nfs/dbraw/zinc/48/25/31/951482531.db2.gz LEPRICTUSHHBFV-MRXNPFEDSA-N 2 0 283.460 1.273 20 30 CDEDRP N#CC1(c2ccccc2)CC([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC001327840327 955071586 /nfs/dbraw/zinc/07/15/86/955071586.db2.gz OWSZCUQPSCQEOF-UHFFFAOYSA-N 2 0 298.434 1.495 20 30 CDEDRP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1CCC ZINC001324375488 961343609 /nfs/dbraw/zinc/34/36/09/961343609.db2.gz YDZGBIOPYLZPLE-HNNXBMFYSA-N 2 0 279.428 1.322 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001420299222 962704434 /nfs/dbraw/zinc/70/44/34/962704434.db2.gz GYNOUUMTJFNQJQ-NEPJUHHUSA-N 2 0 275.824 1.419 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001442110313 964874652 /nfs/dbraw/zinc/87/46/52/964874652.db2.gz HQIGRALGFCMABN-ZDUSSCGKSA-N 2 0 287.835 1.709 20 30 CDEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001349390255 966333776 /nfs/dbraw/zinc/33/37/76/966333776.db2.gz SCLSYPPMGRLHQN-ZDUSSCGKSA-N 2 0 265.401 1.143 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001100405743 968258823 /nfs/dbraw/zinc/25/88/23/968258823.db2.gz LDFTVPRJSXLAAT-UHFFFAOYSA-N 2 0 265.401 1.141 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001100456781 968406458 /nfs/dbraw/zinc/40/64/58/968406458.db2.gz BHNRDPFZNJRGSU-UHFFFAOYSA-N 2 0 281.444 1.777 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001374847797 974148468 /nfs/dbraw/zinc/14/84/68/974148468.db2.gz AHCBWWATYXJUGQ-CYBMUJFWSA-N 2 0 287.835 1.709 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132265581 1163219639 /nfs/dbraw/zinc/21/96/39/1163219639.db2.gz PBRIMPZGLWRRDG-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132411252 1163278323 /nfs/dbraw/zinc/27/83/23/1163278323.db2.gz XAWAUZGASZVSOH-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001133253528 1163619339 /nfs/dbraw/zinc/61/93/39/1163619339.db2.gz IXXHDPWEIKFGMS-HOTGVXAUSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC1(CC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C[NH2+]C1 ZINC001574880195 1171034359 /nfs/dbraw/zinc/03/43/59/1171034359.db2.gz KEMPNKYYJZKAHN-AWEZNQCLSA-N 2 0 277.412 1.239 20 30 CDEDRP C[C@@H]1CC2(C[N@@H+]1Cc1cc(C#N)ccn1)CC[NH2+]CC2 ZINC001576637900 1171474959 /nfs/dbraw/zinc/47/49/59/1171474959.db2.gz KWCUWPUSKJTMKB-CYBMUJFWSA-N 2 0 270.380 1.917 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635530648 361769427 /nfs/dbraw/zinc/76/94/27/361769427.db2.gz GQIJXUMMRSTSBQ-UHFFFAOYSA-N 2 0 291.439 1.629 20 30 CDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CC[NH2+]3)CC2)c1 ZINC000593919349 342851414 /nfs/dbraw/zinc/85/14/14/342851414.db2.gz UYXVXXBRDUDMNF-MRXNPFEDSA-N 2 0 298.390 1.001 20 30 CDEDRP C[NH+](C)Cc1ccnc(NC(=O)[C@H]([NH3+])CCCCC#N)c1 ZINC000594439379 342906631 /nfs/dbraw/zinc/90/66/31/342906631.db2.gz QEHVKEKPALMNCM-CYBMUJFWSA-N 2 0 289.383 1.493 20 30 CDEDRP CN(C[C@H]1CC[N@H+](C)C1)C([O-])=[NH+][C@@H]1CCc2nc[nH]c2C1 ZINC000329733067 362029590 /nfs/dbraw/zinc/02/95/90/362029590.db2.gz JIMKEHGOJVDQDC-NWDGAFQWSA-N 2 0 291.399 1.065 20 30 CDEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442791554 362091123 /nfs/dbraw/zinc/09/11/23/362091123.db2.gz JPAMSQUMVNHXNT-OWCLPIDISA-N 2 0 278.444 1.542 20 30 CDEDRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598595501 343840519 /nfs/dbraw/zinc/84/05/19/343840519.db2.gz ONPDVFPVDMJSBX-HZPDHXFCSA-N 2 0 293.455 1.951 20 30 CDEDRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598596450 343840702 /nfs/dbraw/zinc/84/07/02/343840702.db2.gz RQPGVSJJRKFFIB-KBPBESRZSA-N 2 0 267.417 1.561 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000069470806 349101096 /nfs/dbraw/zinc/10/10/96/349101096.db2.gz BNPDBKJVVNMDJR-HNNXBMFYSA-N 2 0 291.439 1.180 20 30 CDEDRP CC[N@H+](C)C[C@@H]1CCN(Cc2cccc(C#N)n2)C1 ZINC000602479401 350113115 /nfs/dbraw/zinc/11/31/15/350113115.db2.gz KFIITKQLFPCGND-ZDUSSCGKSA-N 2 0 258.369 1.727 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000264069203 362956949 /nfs/dbraw/zinc/95/69/49/362956949.db2.gz CRPJKMJYYDNPGP-UHFFFAOYSA-N 2 0 260.385 1.729 20 30 CDEDRP C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)N1CC[NH+](C)CC1 ZINC000181703508 357375398 /nfs/dbraw/zinc/37/53/98/357375398.db2.gz YJUPLRCTEBEDCN-CABCVRRESA-N 2 0 286.423 1.845 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]([NH3+])CCC)C(C)C ZINC000272296353 359450441 /nfs/dbraw/zinc/45/04/41/359450441.db2.gz GGDGFPBQHGUAAH-CABCVRRESA-N 2 0 281.444 1.929 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)CC[C@H](C)[NH3+])C(C)C ZINC000277496701 359562980 /nfs/dbraw/zinc/56/29/80/359562980.db2.gz OLPVJWVPVJKEMC-GJZGRUSLSA-N 2 0 281.444 1.929 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NCC1([NH+](C)C)CCOCC1 ZINC000073280040 360357867 /nfs/dbraw/zinc/35/78/67/360357867.db2.gz BRWZQWWATWLXLA-UHFFFAOYSA-N 2 0 294.399 1.055 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000178768900 189144571 /nfs/dbraw/zinc/14/45/71/189144571.db2.gz UQFWBBSGLJKXFO-MRXNPFEDSA-N 2 0 287.407 1.496 20 30 CDEDRP C[NH+](CC#CC[N@@H+](C)[C@H]1CCSC1)[C@@H]1CCSC1 ZINC000351328883 361644420 /nfs/dbraw/zinc/64/44/20/361644420.db2.gz NQCWBDWHAZLAKN-OKILXGFUSA-N 2 0 284.494 1.864 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000565949439 370574317 /nfs/dbraw/zinc/57/43/17/370574317.db2.gz QMAGROXNIZYAKH-KRWDZBQOSA-N 2 0 299.418 1.640 20 30 CDEDRP C[C@H]1CCCC[N@@H+]1CCCCNC1=[NH+]CCCN1 ZINC000341609110 373826107 /nfs/dbraw/zinc/82/61/07/373826107.db2.gz DAPGCJAVMLHBKL-ZDUSSCGKSA-N 2 0 252.406 1.580 20 30 CDEDRP CNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246173652 376529059 /nfs/dbraw/zinc/52/90/59/376529059.db2.gz MRZKVRAHCQLEDS-CMPLNLGQSA-N 2 0 266.414 1.665 20 30 CDEDRP CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@H](C[N@H+](C)CC)C1 ZINC000072858224 376810735 /nfs/dbraw/zinc/81/07/35/376810735.db2.gz PXWBVZRAIOIFMW-LSDHHAIUSA-N 2 0 294.443 1.268 20 30 CDEDRP CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](C[N@H+](C)CC)C1 ZINC000072858223 376811706 /nfs/dbraw/zinc/81/17/06/376811706.db2.gz PXWBVZRAIOIFMW-GJZGRUSLSA-N 2 0 294.443 1.268 20 30 CDEDRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000248831082 377331601 /nfs/dbraw/zinc/33/16/01/377331601.db2.gz MMEFEGZBEXABCN-HZPDHXFCSA-N 2 0 278.444 1.686 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)C[NH2+]C)CC1 ZINC000417536296 377898589 /nfs/dbraw/zinc/89/85/89/377898589.db2.gz KCUHBJZXXGKIJE-CYBMUJFWSA-N 2 0 282.432 1.182 20 30 CDEDRP C[NH+]=C(NCc1cccs1)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262013374 390983458 /nfs/dbraw/zinc/98/34/58/390983458.db2.gz XEBMJLKGPPFTFG-FZMZJTMJSA-N 2 0 292.452 1.896 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000262668560 131249407 /nfs/dbraw/zinc/24/94/07/131249407.db2.gz QMSTXXMLVSBPQR-INIZCTEOSA-N 2 0 287.407 1.761 20 30 CDEDRP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404415254 413278747 /nfs/dbraw/zinc/27/87/47/413278747.db2.gz FSZHYDCNAGYQJP-GJZGRUSLSA-N 2 0 279.428 1.636 20 30 CDEDRP C=CCNC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313114 414634073 /nfs/dbraw/zinc/63/40/73/414634073.db2.gz JMFGNAXEBVCINH-CHWSQXEVSA-N 2 0 253.390 1.128 20 30 CDEDRP CC[NH+](CC)[C@@H](C)CNC(=[NH2+])NCc1ccccc1OC ZINC000170912915 261450290 /nfs/dbraw/zinc/45/02/90/261450290.db2.gz OIWQYTJXLVTYPK-ZDUSSCGKSA-N 2 0 292.427 1.830 20 30 CDEDRP C=CCOc1ccc(C[NH2+]C[C@@H](C)C[NH3+])cc1OC ZINC000414892056 263102553 /nfs/dbraw/zinc/10/25/53/263102553.db2.gz WSVAIFIBJOFSHO-LBPRGKRZSA-N 2 0 264.369 1.944 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000417534259 264422666 /nfs/dbraw/zinc/42/26/66/264422666.db2.gz VUYFUDPITAACGX-KGLIPLIRSA-N 2 0 294.443 1.324 20 30 CDEDRP CN(C)C(=[NH+]CC1([NH+]2CCSCC2)CCCC1)N(C)C ZINC000261990832 329994973 /nfs/dbraw/zinc/99/49/73/329994973.db2.gz LTWUPGCXTAQWTH-UHFFFAOYSA-N 2 0 298.500 1.827 20 30 CDEDRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000262436262 330012785 /nfs/dbraw/zinc/01/27/85/330012785.db2.gz TVNIFDOKSGPTFV-LBPRGKRZSA-N 2 0 254.422 1.667 20 30 CDEDRP [NH2+]=C(NCC1CCC1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000262769729 330030380 /nfs/dbraw/zinc/03/03/80/330030380.db2.gz LHQSRQSZWCOQOZ-AWEZNQCLSA-N 2 0 264.417 1.708 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](C)C[NH2+]C)C(C)C ZINC000269250462 330068025 /nfs/dbraw/zinc/06/80/25/330068025.db2.gz XYTQWBKDMAXAGH-HUUCEWRRSA-N 2 0 281.444 1.657 20 30 CDEDRP C=C[C@H](CO)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423121363 330171109 /nfs/dbraw/zinc/17/11/09/330171109.db2.gz ILZSTJGUKFKGJS-XPKDYRNWSA-N 2 0 274.364 1.379 20 30 CDEDRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424136304 330272339 /nfs/dbraw/zinc/27/23/39/330272339.db2.gz AHOKYEKEHZRNCY-KGLIPLIRSA-N 2 0 280.416 1.198 20 30 CDEDRP C#CC[N@H+](CC)CCCN1CC[NH+](C(C)C)CC1 ZINC000491655734 332267765 /nfs/dbraw/zinc/26/77/65/332267765.db2.gz AIQVVDFNEPYJOD-UHFFFAOYSA-N 2 0 251.418 1.358 20 30 CDEDRP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](CC)C[C@@H]1CC ZINC000491702566 332296709 /nfs/dbraw/zinc/29/67/09/332296709.db2.gz RIYDDYGHXUNTNX-HNNXBMFYSA-N 2 0 294.443 1.067 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC000491777367 332342653 /nfs/dbraw/zinc/34/26/53/332342653.db2.gz XCKUAGXZCFHRCU-AWEZNQCLSA-N 2 0 267.417 1.178 20 30 CDEDRP C[C@@H]1C[NH+]=C(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)N1 ZINC000261540828 334191752 /nfs/dbraw/zinc/19/17/52/334191752.db2.gz FIBXWUXVAANKRT-HIFRSBDPSA-N 2 0 272.396 1.446 20 30 CDEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001755079443 1159520344 /nfs/dbraw/zinc/52/03/44/1159520344.db2.gz KEUYHTYSEFJUPJ-KRWDZBQOSA-N 2 0 291.439 1.276 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001128533287 1161493404 /nfs/dbraw/zinc/49/34/04/1161493404.db2.gz KPBRVOWASIXVAY-UONOGXRCSA-N 2 0 287.423 1.727 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)CC1 ZINC000334893158 526429875 /nfs/dbraw/zinc/42/98/75/526429875.db2.gz SKLIMQOKFIQREJ-STQMWFEESA-N 2 0 280.416 1.029 20 30 CDEDRP C=CCOCCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000347971755 526750963 /nfs/dbraw/zinc/75/09/63/526750963.db2.gz YGUODKYITXCXIM-UHFFFAOYSA-N 2 0 282.428 1.623 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000970786680 612965994 /nfs/dbraw/zinc/96/59/94/612965994.db2.gz ZAWBWUWQKSDMCI-MRXNPFEDSA-N 2 0 285.391 1.186 20 30 CDEDRP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000968867473 613145898 /nfs/dbraw/zinc/14/58/98/613145898.db2.gz WWEMVDUENYWLKC-BZUAXINKSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000969676807 613302046 /nfs/dbraw/zinc/30/20/46/613302046.db2.gz JBEVNPJCKDNMQR-XJKSGUPXSA-N 2 0 291.439 1.341 20 30 CDEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000963632171 613347062 /nfs/dbraw/zinc/34/70/62/613347062.db2.gz PLZXWTMMJCRXIC-LETWWHAPSA-N 2 0 291.439 1.674 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000969948861 613348359 /nfs/dbraw/zinc/34/83/59/613348359.db2.gz MAPDAGSAMCMWLH-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000969844289 613348507 /nfs/dbraw/zinc/34/85/07/613348507.db2.gz HRCHNLLEVHIJMN-ZIAGYGMSSA-N 2 0 267.417 1.339 20 30 CDEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969651813 613536719 /nfs/dbraw/zinc/53/67/19/613536719.db2.gz ARBMVHRHSBWPIQ-GOEBONIOSA-N 2 0 291.439 1.319 20 30 CDEDRP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000969145106 613686447 /nfs/dbraw/zinc/68/64/47/613686447.db2.gz YEWYKSXMXOQJDY-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968460334 613732832 /nfs/dbraw/zinc/73/28/32/613732832.db2.gz SMCCKCTWFSBBGD-HZPDHXFCSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC000982561576 613823359 /nfs/dbraw/zinc/82/33/59/613823359.db2.gz VKJMVMDBFOJBTB-BHYGNILZSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000981194387 613860347 /nfs/dbraw/zinc/86/03/47/613860347.db2.gz LFTKZAQEJGQLCC-HUUCEWRRSA-N 2 0 291.439 1.818 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000970169160 613864208 /nfs/dbraw/zinc/86/42/08/613864208.db2.gz QIAIAVGUNHUPTP-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000896890396 620279970 /nfs/dbraw/zinc/27/99/70/620279970.db2.gz KPPGXNXQYHUORA-AWEZNQCLSA-N 2 0 294.443 1.553 20 30 CDEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157702217 1162307728 /nfs/dbraw/zinc/30/77/28/1162307728.db2.gz OOZGLTHEVHZFJF-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129531629 1162479877 /nfs/dbraw/zinc/47/98/77/1162479877.db2.gz CMUYGFFGQOGITR-UHFFFAOYSA-N 2 0 281.444 1.923 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173820 1162564764 /nfs/dbraw/zinc/56/47/64/1162564764.db2.gz PFZBOBJRUDPQFM-UHFFFAOYSA-N 2 0 265.401 1.144 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130189807 1162566624 /nfs/dbraw/zinc/56/66/24/1162566624.db2.gz SGCLBUSYIIKBQI-GJZGRUSLSA-N 2 0 279.428 1.675 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130617627 1162678269 /nfs/dbraw/zinc/67/82/69/1162678269.db2.gz DSTPLWUUQUKUQI-UHFFFAOYSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790210 1163047620 /nfs/dbraw/zinc/04/76/20/1163047620.db2.gz IMXALAIFMNLMRS-OAHLLOKOSA-N 2 0 279.428 1.533 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001131799975 1163056354 /nfs/dbraw/zinc/05/63/54/1163056354.db2.gz ZMVBGLFLDMLWCJ-UHFFFAOYSA-N 2 0 281.444 1.780 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001131798947 1163056812 /nfs/dbraw/zinc/05/68/12/1163056812.db2.gz FSDRJSFPFPSYSR-UHFFFAOYSA-N 2 0 279.428 1.228 20 30 CDEDRP C#CC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132517589 1163335701 /nfs/dbraw/zinc/33/57/01/1163335701.db2.gz FGPSFMSOXNEJBH-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001133262722 1163617007 /nfs/dbraw/zinc/61/70/07/1163617007.db2.gz LUFKJGCQPIKIHK-JKSUJKDBSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133297689 1163631497 /nfs/dbraw/zinc/63/14/97/1163631497.db2.gz QOTYMNGJNMSROF-UHFFFAOYSA-N 2 0 255.406 1.390 20 30 CDEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])N2CCCCCC2)CC1 ZINC000125969472 1165855601 /nfs/dbraw/zinc/85/56/01/1165855601.db2.gz YLIVWXITRGWCQO-OAHLLOKOSA-N 2 0 295.475 1.203 20 30 CDEDRP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001671779791 1173711088 /nfs/dbraw/zinc/71/10/88/1173711088.db2.gz MRDYUNADXLOISK-NVXWUHKLSA-N 2 0 293.455 1.424 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001733710679 1183503281 /nfs/dbraw/zinc/50/32/81/1183503281.db2.gz KCESXCHNZYNGHX-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001751975591 1184804361 /nfs/dbraw/zinc/80/43/61/1184804361.db2.gz QOFJMCJCWVLESY-OAHLLOKOSA-N 2 0 279.428 1.342 20 30 CDEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001752158192 1184827521 /nfs/dbraw/zinc/82/75/21/1184827521.db2.gz UNTCOADXCGZOIZ-HOTGVXAUSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001752484725 1184870018 /nfs/dbraw/zinc/87/00/18/1184870018.db2.gz REBZLPPGMZQPKS-HIFRSBDPSA-N 2 0 279.428 1.389 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001752484710 1184870725 /nfs/dbraw/zinc/87/07/25/1184870725.db2.gz QWTKVPSZMFQQIS-HOCLYGCPSA-N 2 0 293.455 1.779 20 30 CDEDRP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001752970711 1184979932 /nfs/dbraw/zinc/97/99/32/1184979932.db2.gz DUWCMDOLMGAFFY-KBPBESRZSA-N 2 0 277.412 1.121 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001753418234 1185195464 /nfs/dbraw/zinc/19/54/64/1185195464.db2.gz WMYBZIRTJWQMAQ-MRXNPFEDSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001753742437 1185325397 /nfs/dbraw/zinc/32/53/97/1185325397.db2.gz SBKMKVYJGXUEBM-JKSUJKDBSA-N 2 0 293.455 1.472 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]21 ZINC001753877059 1185375533 /nfs/dbraw/zinc/37/55/33/1185375533.db2.gz YHDAYWIMRJCAHS-HOTGVXAUSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001754382101 1185604545 /nfs/dbraw/zinc/60/45/45/1185604545.db2.gz MWAPUQSRVKCLSK-INIZCTEOSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H](C)C1 ZINC001754601628 1185679636 /nfs/dbraw/zinc/67/96/36/1185679636.db2.gz RXZLMWBPGVIVHY-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001754683138 1185704457 /nfs/dbraw/zinc/70/44/57/1185704457.db2.gz HWTHJJQFKASHRB-MRXNPFEDSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001754802445 1185734543 /nfs/dbraw/zinc/73/45/43/1185734543.db2.gz BPHMZPUJWLZATL-JKSUJKDBSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH2+][C@@H](CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001755348893 1185925283 /nfs/dbraw/zinc/92/52/83/1185925283.db2.gz KULMVMVMSRAPPE-HOTGVXAUSA-N 2 0 295.471 1.977 20 30 CDEDRP C#CC[NH+]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001755413502 1185945337 /nfs/dbraw/zinc/94/53/37/1185945337.db2.gz YOXICWGKFBLDSN-CABCVRRESA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[N@@H+](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001755535702 1185982070 /nfs/dbraw/zinc/98/20/70/1185982070.db2.gz QOWCZEWJZBTDBP-UHFFFAOYSA-N 2 0 291.439 1.581 20 30 CDEDRP C#CC[NH+]1CCC(C2(NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001755869853 1186095488 /nfs/dbraw/zinc/09/54/88/1186095488.db2.gz RGYZXSFAFQEAQR-UHFFFAOYSA-N 2 0 289.423 1.076 20 30 CDEDRP CC[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)C1 ZINC000303878764 1186581966 /nfs/dbraw/zinc/58/19/66/1186581966.db2.gz JHBWTCUQYNXUKW-KGLIPLIRSA-N 2 0 266.433 1.765 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133856593 1163933308 /nfs/dbraw/zinc/93/33/08/1163933308.db2.gz KOWLCNBYMGEEAE-MRXNPFEDSA-N 2 0 299.434 1.871 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001114424279 1164947473 /nfs/dbraw/zinc/94/74/73/1164947473.db2.gz WIWLUXPGDCELRF-LJIGWXMPSA-N 2 0 291.439 1.483 20 30 CDEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)CC ZINC001114484110 1165326008 /nfs/dbraw/zinc/32/60/08/1165326008.db2.gz RRLNUIANEIQMBS-WDNDVIMCSA-N 2 0 279.428 1.339 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001023446174 828351042 /nfs/dbraw/zinc/35/10/42/828351042.db2.gz LJZXCGLDHJVVIU-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP CC1CC[NH+](CCCCNC(=[NH2+])N2CCOCC2)CC1 ZINC000303908560 828392405 /nfs/dbraw/zinc/39/24/05/828392405.db2.gz XPRRGTPTCCZKCR-UHFFFAOYSA-N 2 0 282.432 1.145 20 30 CDEDRP C=CCC[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001005992854 822708345 /nfs/dbraw/zinc/70/83/45/822708345.db2.gz WGXOFSYADPGCHP-HNNXBMFYSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000997642899 822740208 /nfs/dbraw/zinc/74/02/08/822740208.db2.gz VYHKTTZVGFXLTM-GOEBONIOSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[C@@H](CCOC)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000862548107 823825539 /nfs/dbraw/zinc/82/55/39/823825539.db2.gz XWKHGCFYTGODED-AWEZNQCLSA-N 2 0 252.402 1.877 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001016107813 823838647 /nfs/dbraw/zinc/83/86/47/823838647.db2.gz RWTGYLHSMZRMIV-CYBMUJFWSA-N 2 0 276.384 1.417 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC000995996723 823859225 /nfs/dbraw/zinc/85/92/25/823859225.db2.gz MJCMDJOFMYOIEB-AWEZNQCLSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001026605408 823991600 /nfs/dbraw/zinc/99/16/00/823991600.db2.gz OLSQXOHJVRAPRG-HSBZDZAISA-N 2 0 265.401 1.141 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001019383594 824098803 /nfs/dbraw/zinc/09/88/03/824098803.db2.gz IJVIBRWCKDZQLT-XJKSGUPXSA-N 2 0 297.418 1.575 20 30 CDEDRP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001001447997 824142638 /nfs/dbraw/zinc/14/26/38/824142638.db2.gz FTNDDCMSLYEJMH-MRXNPFEDSA-N 2 0 291.439 1.653 20 30 CDEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044187317 824166175 /nfs/dbraw/zinc/16/61/75/824166175.db2.gz ACLQOKVGIGECAA-CQSZACIVSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001027789684 824171720 /nfs/dbraw/zinc/17/17/20/824171720.db2.gz JWMDCBIAMTXNGT-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001046568946 824208143 /nfs/dbraw/zinc/20/81/43/824208143.db2.gz DWKJKZSNBIYNGS-OFQRWUPVSA-N 2 0 279.428 1.483 20 30 CDEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000985481858 824215790 /nfs/dbraw/zinc/21/57/90/824215790.db2.gz QBHHLWHRYQGPGA-HNNXBMFYSA-N 2 0 279.428 1.129 20 30 CDEDRP CCC(CC)[C@@H](CNC(=[NH2+])NCC(C)C)[NH+](C)C ZINC000303775705 824232822 /nfs/dbraw/zinc/23/28/22/824232822.db2.gz GYFOUFPJYQJIJE-CYBMUJFWSA-N 2 0 256.438 1.913 20 30 CDEDRP C=C(C)C[NH2+]C1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001026592788 824249713 /nfs/dbraw/zinc/24/97/13/824249713.db2.gz PVSDAQGGHPKZSZ-QQFBHYJXSA-N 2 0 293.455 1.921 20 30 CDEDRP C[NH+]=C(NCc1cccs1)N[C@H]1CCN(C2CC2)C1 ZINC000083124254 824298847 /nfs/dbraw/zinc/29/88/47/824298847.db2.gz RYFIHPMZOBWWOZ-NSHDSACASA-N 2 0 278.425 1.650 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3ncc[nH]3)C[C@@H]21 ZINC001042034899 824409226 /nfs/dbraw/zinc/40/92/26/824409226.db2.gz NKLOKHTZUPXFHI-KGLIPLIRSA-N 2 0 288.395 1.451 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000989189804 824448089 /nfs/dbraw/zinc/44/80/89/824448089.db2.gz UKBSJJZTCVTARP-OCCSQVGLSA-N 2 0 284.363 1.713 20 30 CDEDRP C#CC[NH2+]C1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001026528389 824474177 /nfs/dbraw/zinc/47/41/77/824474177.db2.gz IWIHOTKQILDCHG-UHFFFAOYSA-N 2 0 296.374 1.598 20 30 CDEDRP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001028579493 824819231 /nfs/dbraw/zinc/81/92/31/824819231.db2.gz FVRDHGLVFGFBQR-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCCN1CC(N(C)C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001042718426 824838760 /nfs/dbraw/zinc/83/87/60/824838760.db2.gz MSGQTHLAAHDQTL-GJZGRUSLSA-N 2 0 289.423 1.027 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001000993944 824851421 /nfs/dbraw/zinc/85/14/21/824851421.db2.gz UHDZHBJESILMAY-OAHLLOKOSA-N 2 0 277.412 1.076 20 30 CDEDRP C#CC[NH2+][C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC1(C)C ZINC000996003882 824868611 /nfs/dbraw/zinc/86/86/11/824868611.db2.gz BLEQUKZAMRHGFI-HNNXBMFYSA-N 2 0 296.374 1.408 20 30 CDEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001044005327 824890095 /nfs/dbraw/zinc/89/00/95/824890095.db2.gz QBUDITHNBNUHBZ-UHFFFAOYSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CCN1CCC[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000923561187 824942688 /nfs/dbraw/zinc/94/26/88/824942688.db2.gz URUSKAVDEQATCJ-OAHLLOKOSA-N 2 0 289.423 1.075 20 30 CDEDRP CC(=O)[C@](C#N)(CCN1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000877982357 824964159 /nfs/dbraw/zinc/96/41/59/824964159.db2.gz QGCHNYIORHNKQU-XYJFISCASA-N 2 0 297.402 1.578 20 30 CDEDRP C=CC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C(C)C ZINC000841008331 828756891 /nfs/dbraw/zinc/75/68/91/828756891.db2.gz XOOHHDVUWNTZIS-CYBMUJFWSA-N 2 0 253.390 1.080 20 30 CDEDRP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001052657998 825280746 /nfs/dbraw/zinc/28/07/46/825280746.db2.gz CIZNUSSACWETMD-HRCADAONSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001026044130 825335861 /nfs/dbraw/zinc/33/58/61/825335861.db2.gz KOHBRFUSEJIDIF-RFBLXINOSA-N 2 0 291.439 1.197 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009200834 825376872 /nfs/dbraw/zinc/37/68/72/825376872.db2.gz HJOLGTRGCZMSBI-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C[C@H]1CCC[C@@](CNC(=[NH2+])N2CCSCC2)([NH+](C)C)C1 ZINC000261976344 825392578 /nfs/dbraw/zinc/39/25/78/825392578.db2.gz GGOQVCDLCOJBJJ-DZGCQCFKSA-N 2 0 298.500 1.860 20 30 CDEDRP C#CCNC(=O)CC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213160 828792465 /nfs/dbraw/zinc/79/24/65/828792465.db2.gz SGPXUDPNBPNBPA-UHFFFAOYSA-N 2 0 287.407 1.320 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025598141 828815334 /nfs/dbraw/zinc/81/53/34/828815334.db2.gz VBVSIWXFHQSVTI-LSDHHAIUSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)CC[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001031812397 825822534 /nfs/dbraw/zinc/82/25/34/825822534.db2.gz AIPKCKZGSYPHGJ-UHFFFAOYSA-N 2 0 291.439 1.629 20 30 CDEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCN3C)CCC[C@@H]12 ZINC000990024787 825899864 /nfs/dbraw/zinc/89/98/64/825899864.db2.gz FLNNYASDELSCIE-BFYDXBDKSA-N 2 0 289.423 1.217 20 30 CDEDRP C[NH+]=C(NCC[NH+]1CCCCC1)N1CC[C@]2(CCOC2)C1 ZINC000261656903 826001319 /nfs/dbraw/zinc/00/13/19/826001319.db2.gz AGGCJRKOVIICPI-INIZCTEOSA-N 2 0 294.443 1.160 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993751054 826086119 /nfs/dbraw/zinc/08/61/19/826086119.db2.gz FHEFEPGLQNLXBV-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925655286 826231571 /nfs/dbraw/zinc/23/15/71/826231571.db2.gz JGRPIBVMYNWFKC-PTPFZMSRSA-N 2 0 262.397 1.554 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001022198800 826252991 /nfs/dbraw/zinc/25/29/91/826252991.db2.gz QJUXMTSGVMWUTP-SOUVJXGZSA-N 2 0 279.428 1.387 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000996711662 826811663 /nfs/dbraw/zinc/81/16/63/826811663.db2.gz KEOJMVYTWZZPEN-JKSUJKDBSA-N 2 0 291.439 1.770 20 30 CDEDRP C=C(Cl)CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001015605753 826836174 /nfs/dbraw/zinc/83/61/74/826836174.db2.gz UVYCXFOWGQZKJS-IHRRRGAJSA-N 2 0 299.846 1.660 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC000996134642 826844596 /nfs/dbraw/zinc/84/45/96/826844596.db2.gz KRSDJLMJNFHBHH-CQSZACIVSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1(C)C ZINC000995876848 826853207 /nfs/dbraw/zinc/85/32/07/826853207.db2.gz BEUKDBPXWBROLN-CABCVRRESA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001000530043 826883294 /nfs/dbraw/zinc/88/32/94/826883294.db2.gz DEAHHYMQWPUBCP-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP CCN(CC)C(=[NH2+])NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000305022705 826890167 /nfs/dbraw/zinc/89/01/67/826890167.db2.gz OIYOVJJYTOWAML-ZDUSSCGKSA-N 2 0 254.422 1.621 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)[C@H]1C ZINC001074877969 827089989 /nfs/dbraw/zinc/08/99/89/827089989.db2.gz UJUWNTSUERTOFK-ILXRZTDVSA-N 2 0 279.428 1.626 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001054852939 827092276 /nfs/dbraw/zinc/09/22/76/827092276.db2.gz AKJNYCVKYHSRBO-HUUCEWRRSA-N 2 0 291.439 1.627 20 30 CDEDRP C#CC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052766899 827094157 /nfs/dbraw/zinc/09/41/57/827094157.db2.gz PJYFRNZPYUMQTG-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP CNC(=[NH2+])NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186889927 827157095 /nfs/dbraw/zinc/15/70/95/827157095.db2.gz UANPCTZDXOBTIV-AWEZNQCLSA-N 2 0 260.385 1.431 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C1 ZINC001048864297 827286829 /nfs/dbraw/zinc/28/68/29/827286829.db2.gz WFWOMTTZYXPQPA-OWCLPIDISA-N 2 0 291.439 1.293 20 30 CDEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]12 ZINC001026285316 827322471 /nfs/dbraw/zinc/32/24/71/827322471.db2.gz ZCEOPRUCIDDIFW-FVQBIDKESA-N 2 0 291.439 1.483 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001036264541 827354558 /nfs/dbraw/zinc/35/45/58/827354558.db2.gz IVCOLXUNLBBCEX-LSDHHAIUSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681147 827419691 /nfs/dbraw/zinc/41/96/91/827419691.db2.gz QPZBDWGWNBFLHK-HNNXBMFYSA-N 2 0 279.428 1.581 20 30 CDEDRP COCC#CC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179545 827431607 /nfs/dbraw/zinc/43/16/07/827431607.db2.gz NPDZKSFYHWOGRU-UHFFFAOYSA-N 2 0 250.386 1.444 20 30 CDEDRP C=CC[N@@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000985569041 827460779 /nfs/dbraw/zinc/46/07/79/827460779.db2.gz VMUVUEJHWWNNIL-UHFFFAOYSA-N 2 0 293.455 1.970 20 30 CDEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001016830983 827661418 /nfs/dbraw/zinc/66/14/18/827661418.db2.gz YWSWEIGLRCDFQK-LSDHHAIUSA-N 2 0 289.423 1.075 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001027441128 827733631 /nfs/dbraw/zinc/73/36/31/827733631.db2.gz RWRGYQCZSKMMRL-AWEZNQCLSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000876718670 827824112 /nfs/dbraw/zinc/82/41/12/827824112.db2.gz YCXATYLLNAWMHS-AWEZNQCLSA-N 2 0 295.814 1.834 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1cncc(Br)c1 ZINC000383216238 827828748 /nfs/dbraw/zinc/82/87/48/827828748.db2.gz YLBQYSUQPXXEJO-UHFFFAOYSA-N 2 0 296.212 1.889 20 30 CDEDRP CC[C@H](C)NC(=[NH2+])NC[C@H](C)C[NH+]1CCCCC1 ZINC000303258601 827841331 /nfs/dbraw/zinc/84/13/31/827841331.db2.gz LBCILFYDVNWIMN-STQMWFEESA-N 2 0 254.422 1.811 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001022089216 827851388 /nfs/dbraw/zinc/85/13/88/827851388.db2.gz HAUVQSOYHOLNDE-MJBXVCDLSA-N 2 0 297.830 1.318 20 30 CDEDRP C=CCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001038258539 827880941 /nfs/dbraw/zinc/88/09/41/827880941.db2.gz GDWJCWZICMYFFP-UONOGXRCSA-N 2 0 265.401 1.236 20 30 CDEDRP CC(C)C[C@H](C[NH+]=C(N(C)C)N(C)C)[NH+]1CCCC1 ZINC000104160635 827892343 /nfs/dbraw/zinc/89/23/43/827892343.db2.gz DSGNVFKXAPPFPC-CQSZACIVSA-N 2 0 268.449 1.976 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000823187861 828064239 /nfs/dbraw/zinc/06/42/39/828064239.db2.gz KUBFHYIYZXDSHB-OAHLLOKOSA-N 2 0 277.412 1.075 20 30 CDEDRP C[NH+]=C(NCC[NH2+]C(C)(C)C)N1CC[C@]2(CCOC2)C1 ZINC000158126286 828090072 /nfs/dbraw/zinc/09/00/72/828090072.db2.gz UBKRMJOCQQSUGI-HNNXBMFYSA-N 2 0 282.432 1.062 20 30 CDEDRP C#C[C@H](C)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000820427935 828208307 /nfs/dbraw/zinc/20/83/07/828208307.db2.gz MIWYESYGQRJZAB-GJZGRUSLSA-N 2 0 294.443 1.066 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000870955253 828273355 /nfs/dbraw/zinc/27/33/55/828273355.db2.gz RIAJBZUILFYPHH-UHFFFAOYSA-N 2 0 281.444 1.731 20 30 CDEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175265552 913520590 /nfs/dbraw/zinc/52/05/90/913520590.db2.gz ZTAGETQZKCKQQH-JKSUJKDBSA-N 2 0 293.455 1.616 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175874103 913840122 /nfs/dbraw/zinc/84/01/22/913840122.db2.gz PKTUEZSVNCRMJA-INIZCTEOSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001167236005 894928450 /nfs/dbraw/zinc/92/84/50/894928450.db2.gz FSAGMTVFHVLLDD-CABCVRRESA-N 2 0 293.455 1.636 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001167389122 895537177 /nfs/dbraw/zinc/53/71/77/895537177.db2.gz HRHAAXFDXUYOOS-UHFFFAOYSA-N 2 0 291.439 1.228 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)c1ccccc1C[NH+](C)C ZINC001176948371 914396727 /nfs/dbraw/zinc/39/67/27/914396727.db2.gz TYNMEAXGGWZYSE-UHFFFAOYSA-N 2 0 273.380 1.091 20 30 CDEDRP C=CCc1c(Cl)ncnc1NC(=[NH2+])NCCCC[NH3+] ZINC001167879937 901614066 /nfs/dbraw/zinc/61/40/66/901614066.db2.gz ULBIZUUKYIYZEG-UHFFFAOYSA-N 2 0 282.779 1.534 20 30 CDEDRP C[C@H](C#N)OCC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000687719017 902582125 /nfs/dbraw/zinc/58/21/25/902582125.db2.gz WOMYCLLDDMSPSY-CYBMUJFWSA-N 2 0 253.390 1.579 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168021110 905789259 /nfs/dbraw/zinc/78/92/59/905789259.db2.gz AADTUXNTXPSLKK-UONOGXRCSA-N 2 0 265.401 1.285 20 30 CDEDRP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001088110081 906326265 /nfs/dbraw/zinc/32/62/65/906326265.db2.gz LSZTVZUJIUYVAD-PMPSAXMXSA-N 2 0 291.439 1.130 20 30 CDEDRP C#CCN1CCN([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171760194 910934458 /nfs/dbraw/zinc/93/44/58/910934458.db2.gz RUNSBTYLJVAUBY-PKOBYXMFSA-N 2 0 297.446 1.900 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171812497 910989611 /nfs/dbraw/zinc/98/96/11/910989611.db2.gz RKTQNLJDYJFGJK-CQSZACIVSA-N 2 0 298.390 1.846 20 30 CDEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1C ZINC001179516357 915856425 /nfs/dbraw/zinc/85/64/25/915856425.db2.gz ACNUUZUCWIUEFZ-HRCADAONSA-N 2 0 293.455 1.709 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)C[NH+](CC)CC ZINC001179846552 916013035 /nfs/dbraw/zinc/01/30/35/916013035.db2.gz KBULMSJATWZPLJ-UHFFFAOYSA-N 2 0 269.433 1.780 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)C[NH+]1CCCC1 ZINC001180270407 916236202 /nfs/dbraw/zinc/23/62/02/916236202.db2.gz UEUNIKVQJOXZSD-UHFFFAOYSA-N 2 0 267.417 1.534 20 30 CDEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCSCC2)C1 ZINC000303906221 935046928 /nfs/dbraw/zinc/04/69/28/935046928.db2.gz ZUNBWNPENIINHW-GFCCVEGCSA-N 2 0 270.446 1.082 20 30 CDEDRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC#Cc2ccccc2)CC[N@@H+]1C ZINC001127690206 917339173 /nfs/dbraw/zinc/33/91/73/917339173.db2.gz HJNNJAQHCAOBON-NVXWUHKLSA-N 2 0 299.418 1.084 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1[nH]cnc1C)C2 ZINC001098285877 918218109 /nfs/dbraw/zinc/21/81/09/918218109.db2.gz SAHRATNFMMQMQM-BNOWGMLFSA-N 2 0 274.368 1.168 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107534038 918437621 /nfs/dbraw/zinc/43/76/21/918437621.db2.gz UDEFJCVAGWOIMF-NVXWUHKLSA-N 2 0 291.439 1.322 20 30 CDEDRP N#Cc1ccc(F)cc1CN1CCC[C@](O)(C[NH3+])CC1 ZINC001205242686 919382976 /nfs/dbraw/zinc/38/29/76/919382976.db2.gz ZLYVDSYALXXJPT-OAHLLOKOSA-N 2 0 277.343 1.373 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)Cn2ccnc2C)C[C@H]1C ZINC001185689222 919705054 /nfs/dbraw/zinc/70/50/54/919705054.db2.gz BGIIAFWRODRRHG-UKRRQHHQSA-N 2 0 290.411 1.452 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)c1sccc1C[NH+](C)C ZINC001128544719 922002541 /nfs/dbraw/zinc/00/25/41/922002541.db2.gz PRDIUHAMOOTDFS-UHFFFAOYSA-N 2 0 281.425 1.705 20 30 CDEDRP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001192344453 923016885 /nfs/dbraw/zinc/01/68/85/923016885.db2.gz XCNQFYRJFDCDPE-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2ccnc2)C1 ZINC001192579346 923155716 /nfs/dbraw/zinc/15/57/16/923155716.db2.gz ZGPLWSCFTCHPQG-CABCVRRESA-N 2 0 288.395 1.390 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194227768 924124824 /nfs/dbraw/zinc/12/48/24/924124824.db2.gz NGPVHJJBSSZYHV-INIZCTEOSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001195268267 924517232 /nfs/dbraw/zinc/51/72/32/924517232.db2.gz RIEDXUALUGLIAE-OAHLLOKOSA-N 2 0 279.428 1.581 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001082859771 925012317 /nfs/dbraw/zinc/01/23/17/925012317.db2.gz DUHPKIQWIKZIIW-MRVWCRGKSA-N 2 0 299.846 1.517 20 30 CDEDRP C=C(C)C[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197879883 925254617 /nfs/dbraw/zinc/25/46/17/925254617.db2.gz OPWKHWIOPPMQHQ-UHFFFAOYSA-N 2 0 281.444 1.829 20 30 CDEDRP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015704 937036830 /nfs/dbraw/zinc/03/68/30/937036830.db2.gz OPFMTBGCOLRVNI-KFWWJZLASA-N 2 0 299.434 1.536 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085422185 925942209 /nfs/dbraw/zinc/94/22/09/925942209.db2.gz KJOMDJDTFASYDY-MGPQQGTHSA-N 2 0 299.846 1.708 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085605519 926202723 /nfs/dbraw/zinc/20/27/23/926202723.db2.gz LRHITWAEKRDSGC-RBSFLKMASA-N 2 0 279.428 1.435 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001202179135 926488859 /nfs/dbraw/zinc/48/88/59/926488859.db2.gz RGFBPBJPIZNSCK-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202217894 926497242 /nfs/dbraw/zinc/49/72/42/926497242.db2.gz XIRICYMJZILGLT-UHFFFAOYSA-N 2 0 253.390 1.095 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001202295910 926525159 /nfs/dbraw/zinc/52/51/59/926525159.db2.gz AHUTXYJWFMQRGF-UHFFFAOYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001086122236 926727301 /nfs/dbraw/zinc/72/73/01/926727301.db2.gz BXBOJWSPNHAPIL-MJBXVCDLSA-N 2 0 265.401 1.141 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001086253844 926893235 /nfs/dbraw/zinc/89/32/35/926893235.db2.gz YAYOEJGWYXLRHA-WCVJEAGWSA-N 2 0 293.455 1.777 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722420 937152666 /nfs/dbraw/zinc/15/26/66/937152666.db2.gz MRMKNTDAPQYVBU-HUUCEWRRSA-N 2 0 279.428 1.342 20 30 CDEDRP C=CC[NH+]1CCC[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169112888 927760183 /nfs/dbraw/zinc/76/01/83/927760183.db2.gz UHZHBFWVRXMRSE-JONQDZQNSA-N 2 0 263.429 1.852 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111857843 937244822 /nfs/dbraw/zinc/24/48/22/937244822.db2.gz BCSNLXDYVHEHFJ-RDJZCZTQSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169800104 928425057 /nfs/dbraw/zinc/42/50/57/928425057.db2.gz ZXHSMJCKBNXMPA-GJZGRUSLSA-N 2 0 281.444 1.921 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+](C)C)C2 ZINC001108801070 928638174 /nfs/dbraw/zinc/63/81/74/928638174.db2.gz RUXJBNVWCSRMQN-JYJNAYRXSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001108831452 928657848 /nfs/dbraw/zinc/65/78/48/928657848.db2.gz FUYBIMICJYFPJK-XHSDSOJGSA-N 2 0 291.439 1.319 20 30 CDEDRP C=C(CC)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001151536448 937295204 /nfs/dbraw/zinc/29/52/04/937295204.db2.gz QBEJNMMBHZIFDU-ZIAGYGMSSA-N 2 0 267.417 1.150 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001202503782 929137568 /nfs/dbraw/zinc/13/75/68/929137568.db2.gz NEXQFWBAULWDQB-ZBFHGGJFSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608544 929814757 /nfs/dbraw/zinc/81/47/57/929814757.db2.gz WZMGKYJIBFSPMQ-OLZOCXBDSA-N 2 0 267.417 1.530 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001170784174 930004530 /nfs/dbraw/zinc/00/45/30/930004530.db2.gz FVVWECVGJAZFQM-MRXNPFEDSA-N 2 0 293.455 1.760 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614618 930297694 /nfs/dbraw/zinc/29/76/94/930297694.db2.gz XJOSGYJNMLKBDU-GJZGRUSLSA-N 2 0 293.455 1.615 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135977760 930587197 /nfs/dbraw/zinc/58/71/97/930587197.db2.gz YNSWLUKOOSSACE-STQMWFEESA-N 2 0 289.851 1.954 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2nccn21 ZINC001153818875 937473932 /nfs/dbraw/zinc/47/39/32/937473932.db2.gz DPTWBJGCILLNKL-KGLIPLIRSA-N 2 0 290.411 1.773 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930221 937483604 /nfs/dbraw/zinc/48/36/04/937483604.db2.gz JTBTWUXKGGZYNI-KGLIPLIRSA-N 2 0 269.433 1.585 20 30 CDEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)Cn1cncc1C ZINC001154332022 937532216 /nfs/dbraw/zinc/53/22/16/937532216.db2.gz BBORWCNIYVBNBW-CQSZACIVSA-N 2 0 278.400 1.594 20 30 CDEDRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(C#N)n1 ZINC001275606109 931905092 /nfs/dbraw/zinc/90/50/92/931905092.db2.gz VKGUZIXPNUSJLZ-IRXDYDNUSA-N 2 0 299.422 1.163 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1ccnc1 ZINC001146707062 932286254 /nfs/dbraw/zinc/28/62/54/932286254.db2.gz NPDVCXLQNTZCKW-KGLIPLIRSA-N 2 0 276.384 1.169 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001147460968 932509203 /nfs/dbraw/zinc/50/92/03/932509203.db2.gz WNCDTWUCIRSQLW-INIZCTEOSA-N 2 0 289.423 1.961 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155023860 937622633 /nfs/dbraw/zinc/62/26/33/937622633.db2.gz NBQJZVNQVHTECJ-CQSZACIVSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091974646 932906801 /nfs/dbraw/zinc/90/68/01/932906801.db2.gz OPEAURYYCOXZAC-WBVHZDCISA-N 2 0 291.439 1.295 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110995334 933423897 /nfs/dbraw/zinc/42/38/97/933423897.db2.gz TXZUXFFVAFXFND-LVQVYYBASA-N 2 0 291.439 1.317 20 30 CDEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC001120492512 937803072 /nfs/dbraw/zinc/80/30/72/937803072.db2.gz MQZGIEQGCMKMPL-OAHLLOKOSA-N 2 0 280.799 1.398 20 30 CDEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001114832127 935003253 /nfs/dbraw/zinc/00/32/53/935003253.db2.gz LULPKFIVHSVFDX-LJIGWXMPSA-N 2 0 291.439 1.483 20 30 CDEDRP CC[C@@H](C)NC(=[NH2+])NCC[C@H](C)[NH+]1CCCCC1 ZINC000305836825 935220714 /nfs/dbraw/zinc/22/07/14/935220714.db2.gz XEQQQHUFSVGOFJ-OLZOCXBDSA-N 2 0 254.422 1.954 20 30 CDEDRP CC#CCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001038328780 935741421 /nfs/dbraw/zinc/74/14/21/935741421.db2.gz NXCDNROKOBWBFC-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)CCC[NH+](C)C)C2)C1 ZINC001121663932 937879641 /nfs/dbraw/zinc/87/96/41/937879641.db2.gz UPKUYWSISULUGG-UHFFFAOYSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)CC)C2)C1 ZINC001122022335 937900117 /nfs/dbraw/zinc/90/01/17/937900117.db2.gz IWZAIAIBFAISPD-UHFFFAOYSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157247884 938469102 /nfs/dbraw/zinc/46/91/02/938469102.db2.gz AOEBUGRIUOGYIC-MRXNPFEDSA-N 2 0 293.455 1.712 20 30 CDEDRP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158856563 938671170 /nfs/dbraw/zinc/67/11/70/938671170.db2.gz NNAJQQBYHBTLPI-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP N#Cc1cnc2cnc(Cl)cc2c1N[C@@H]([NH3+])CCC[NH3+] ZINC001159780292 938752205 /nfs/dbraw/zinc/75/22/05/938752205.db2.gz WXRQBEDWSQZVGO-GFCCVEGCSA-N 2 0 290.758 1.012 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159861056 938757612 /nfs/dbraw/zinc/75/76/12/938757612.db2.gz JZLFSTJFZHKIQO-UHFFFAOYSA-N 2 0 267.417 1.533 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160866269 938834116 /nfs/dbraw/zinc/83/41/16/938834116.db2.gz AGNSLJLEKIKXPI-HUUCEWRRSA-N 2 0 279.428 1.675 20 30 CDEDRP N#Cc1c(Cl)ncnc1-n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001160946024 938848140 /nfs/dbraw/zinc/84/81/40/938848140.db2.gz SBINOTGDYKMSRJ-UHFFFAOYSA-N 2 0 298.737 1.842 20 30 CDEDRP C=CC[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161698981 938922347 /nfs/dbraw/zinc/92/23/47/938922347.db2.gz IQZYWWBPAIRBCY-MRXNPFEDSA-N 2 0 291.439 1.653 20 30 CDEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161857975 938936343 /nfs/dbraw/zinc/93/63/43/938936343.db2.gz TWZUKBWJLWYPKV-OAHLLOKOSA-N 2 0 277.412 1.263 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166667794 939624926 /nfs/dbraw/zinc/62/49/26/939624926.db2.gz IQKFUOCKPDDKFW-CYBMUJFWSA-N 2 0 253.390 1.000 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001166869696 939646032 /nfs/dbraw/zinc/64/60/32/939646032.db2.gz GQQACRQNKUXVDX-UHFFFAOYSA-N 2 0 293.455 1.780 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203316586 939683221 /nfs/dbraw/zinc/68/32/21/939683221.db2.gz HMPXKJOHTLSXHB-KGLIPLIRSA-N 2 0 279.428 1.531 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001206138966 939985042 /nfs/dbraw/zinc/98/50/42/939985042.db2.gz WLZSPYBRSYJLPH-UHFFFAOYSA-N 2 0 267.417 1.342 20 30 CDEDRP Cn1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1C#N ZINC001206303600 940014022 /nfs/dbraw/zinc/01/40/22/940014022.db2.gz DOJZXRQQPQGOIR-OAHLLOKOSA-N 2 0 260.385 1.848 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001206793873 940092240 /nfs/dbraw/zinc/09/22/40/940092240.db2.gz DOMCBSQQTPXIFG-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207537705 940213010 /nfs/dbraw/zinc/21/30/10/940213010.db2.gz GWRUYMAHPXQLSU-CHWSQXEVSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563247 940215958 /nfs/dbraw/zinc/21/59/58/940215958.db2.gz LUABQXNXBIIYMV-UKRRQHHQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070295 940282768 /nfs/dbraw/zinc/28/27/68/940282768.db2.gz IPSWZAWKKVCOKT-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001208423160 940329043 /nfs/dbraw/zinc/32/90/43/940329043.db2.gz FZQGBFJOSYKRQU-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208515579 940337319 /nfs/dbraw/zinc/33/73/19/940337319.db2.gz UWFJPCFYPVYCAT-BZUAXINKSA-N 2 0 295.471 1.975 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209315216 940459847 /nfs/dbraw/zinc/45/98/47/940459847.db2.gz OWMQGBBSXPFVIK-ZDUSSCGKSA-N 2 0 287.835 1.661 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209454944 940592951 /nfs/dbraw/zinc/59/29/51/940592951.db2.gz PLIOAGKOUKGSJT-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210683850 940706002 /nfs/dbraw/zinc/70/60/02/940706002.db2.gz CKVMIGDZEVNNNA-OAHLLOKOSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215540838 940893356 /nfs/dbraw/zinc/89/33/56/940893356.db2.gz RJQFUFMPRNLXKJ-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216839126 940968171 /nfs/dbraw/zinc/96/81/71/940968171.db2.gz NFNRBPYTACNXLD-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP N#Cc1c(NC(=O)[C@@H]([NH3+])CCC[NH3+])sc2c1CCC2 ZINC001218545671 941234927 /nfs/dbraw/zinc/23/49/27/941234927.db2.gz LIUCFKLUZSQHTK-JTQLQIEISA-N 2 0 278.381 1.113 20 30 CDEDRP Cc1cc(C#N)c(NC(=O)[C@@H]([NH3+])CCCC[NH3+])s1 ZINC001218554095 941235458 /nfs/dbraw/zinc/23/54/58/941235458.db2.gz GTYKGEQQWSYMAW-JTQLQIEISA-N 2 0 266.370 1.323 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219769529 941384118 /nfs/dbraw/zinc/38/41/18/941384118.db2.gz YBJPBJLIJVPFAL-ZFWWWQNUSA-N 2 0 285.407 1.658 20 30 CDEDRP C=CC[C@@H](NC(=O)[C@H]([NH3+])Cc1cnc[nH]1)c1ccccc1 ZINC001221358026 941521749 /nfs/dbraw/zinc/52/17/49/941521749.db2.gz KXPFUXXSYRHGKE-HUUCEWRRSA-N 2 0 284.363 1.713 20 30 CDEDRP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cnc[nH]3)[C@@H]2C1 ZINC001221835662 941552430 /nfs/dbraw/zinc/55/24/30/941552430.db2.gz VAKBVKUHYRYCSE-UKRRQHHQSA-N 2 0 288.395 1.451 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223424862 941677155 /nfs/dbraw/zinc/67/71/55/941677155.db2.gz GZUCYEZOEZLLQS-CABCVRRESA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001224522462 941764247 /nfs/dbraw/zinc/76/42/47/941764247.db2.gz JEHNNRUYEWOOLE-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001225087974 941822960 /nfs/dbraw/zinc/82/29/60/941822960.db2.gz SEOQUHMZQWRRCY-UHFFFAOYSA-N 2 0 267.417 1.342 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001225167908 941827745 /nfs/dbraw/zinc/82/77/45/941827745.db2.gz FPEYNMFDAKFJIW-HNNXBMFYSA-N 2 0 279.428 1.342 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001225435966 941858276 /nfs/dbraw/zinc/85/82/76/941858276.db2.gz RYRPUYAIECCGQT-UHFFFAOYSA-N 2 0 279.428 1.487 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001225448966 941862138 /nfs/dbraw/zinc/86/21/38/941862138.db2.gz RSIRWBPEZLWTRC-UHFFFAOYSA-N 2 0 279.428 1.487 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001227444890 942177879 /nfs/dbraw/zinc/17/78/79/942177879.db2.gz VPYSQCUSPZWFLT-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230284572 942601232 /nfs/dbraw/zinc/60/12/32/942601232.db2.gz LLOXLILXOUCRKB-HUUCEWRRSA-N 2 0 281.444 1.920 20 30 CDEDRP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001234402205 943825611 /nfs/dbraw/zinc/82/56/11/943825611.db2.gz JHEZUMCYBVHSAJ-BZUAXINKSA-N 2 0 293.455 1.826 20 30 CDEDRP COCCOC[N@H+]1CC[C@H]2C[NH+](CCCC#N)C[C@H]2CC1 ZINC001277942744 944142855 /nfs/dbraw/zinc/14/28/55/944142855.db2.gz BDIJJGKVJVGJBR-IYBDPMFKSA-N 2 0 295.427 1.554 20 30 CDEDRP N#CCCC[N@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001277943469 944149139 /nfs/dbraw/zinc/14/91/39/944149139.db2.gz WSSLTSWTNMMHSF-IYBDPMFKSA-N 2 0 287.411 1.857 20 30 CDEDRP N#Cc1ccc([O-])c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237414583 944764105 /nfs/dbraw/zinc/76/41/05/944764105.db2.gz LPZNAOYVCLHXAJ-ZFWWWQNUSA-N 2 0 271.364 1.838 20 30 CDEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001246088478 947937702 /nfs/dbraw/zinc/93/77/02/947937702.db2.gz KBFLUSIOQNCMNJ-UHOFOFEASA-N 2 0 291.370 1.141 20 30 CDEDRP N#CC12CCC([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)(CC1)CC2 ZINC001246263952 948064804 /nfs/dbraw/zinc/06/48/04/948064804.db2.gz MFWXCPHRTMSMKZ-NFOMZHRRSA-N 2 0 274.412 1.287 20 30 CDEDRP C=CCOC(=O)N1CC2(C1)CC[NH+](C1CC[NH2+]CC1)CC2 ZINC001246532813 948235086 /nfs/dbraw/zinc/23/50/86/948235086.db2.gz KMAOBUSSTHETGB-UHFFFAOYSA-N 2 0 293.411 1.459 20 30 CDEDRP C=CCN1C(=O)CCC12CC[NH+]([C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC001246707727 948413516 /nfs/dbraw/zinc/41/35/16/948413516.db2.gz CASPONAOGCFFPH-CABCVRRESA-N 2 0 291.439 1.770 20 30 CDEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246766730 948429945 /nfs/dbraw/zinc/42/99/45/948429945.db2.gz LBRAIURGEJHGAO-LUKYLMHMSA-N 2 0 294.439 1.953 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@@](C)(O)C=C)CC1 ZINC001252556714 951450604 /nfs/dbraw/zinc/45/06/04/951450604.db2.gz IZUPCDZZNCIHQZ-KRWDZBQOSA-N 2 0 293.455 1.215 20 30 CDEDRP C=CCC[C@@H](O)C[N@@H+](CCOC)C1CCN(C)CC1 ZINC001252598708 951492761 /nfs/dbraw/zinc/49/27/61/951492761.db2.gz PXACPMSQXKWGJN-OAHLLOKOSA-N 2 0 270.417 1.356 20 30 CDEDRP C=C[C@@H](O)C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001253581051 951970407 /nfs/dbraw/zinc/97/04/07/951970407.db2.gz GDSVCHLEHDEPAQ-LSDHHAIUSA-N 2 0 252.402 1.874 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001340864737 963161711 /nfs/dbraw/zinc/16/17/11/963161711.db2.gz JIDQPWXSWUPRSN-UPJWGTAASA-N 2 0 253.390 1.269 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001340946634 963206982 /nfs/dbraw/zinc/20/69/82/963206982.db2.gz XYAPGPSTONCVAW-LSDHHAIUSA-N 2 0 299.459 1.559 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001341777903 963539056 /nfs/dbraw/zinc/53/90/56/963539056.db2.gz NHPAODGEVWOILQ-JYJNAYRXSA-N 2 0 293.455 1.908 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001342399434 963730532 /nfs/dbraw/zinc/73/05/32/963730532.db2.gz VCOVZCLVYGETHA-ZDUSSCGKSA-N 2 0 259.353 1.912 20 30 CDEDRP C#CC[NH2+]CC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001343540000 964031885 /nfs/dbraw/zinc/03/18/85/964031885.db2.gz BOGVLDTZJLUGOC-UHFFFAOYSA-N 2 0 287.407 1.320 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001374032558 973744676 /nfs/dbraw/zinc/74/46/76/973744676.db2.gz ZSLLGCAHGWGNJT-LLVKDONJSA-N 2 0 287.835 1.565 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001499935897 974339302 /nfs/dbraw/zinc/33/93/02/974339302.db2.gz PTVGWTYLACFDAF-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001405843613 975901973 /nfs/dbraw/zinc/90/19/73/975901973.db2.gz KRXPYGCSNQWXCZ-ZDUSSCGKSA-N 2 0 299.846 1.804 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001390591545 976379460 /nfs/dbraw/zinc/37/94/60/976379460.db2.gz LEGBPHBJLRKZNZ-CYBMUJFWSA-N 2 0 299.846 1.519 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001382284703 977238623 /nfs/dbraw/zinc/23/86/23/977238623.db2.gz KMCGVVUIARCHBR-OLZOCXBDSA-N 2 0 299.846 1.660 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132279564 1163227446 /nfs/dbraw/zinc/22/74/46/1163227446.db2.gz ZAHJBXSJMXJRDQ-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132518696 1163336875 /nfs/dbraw/zinc/33/68/75/1163336875.db2.gz MVZFFCMLPUFSNO-CABCVRRESA-N 2 0 281.444 1.872 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001133275895 1163623997 /nfs/dbraw/zinc/62/39/97/1163623997.db2.gz XYPDYYSRFHQREQ-LSDHHAIUSA-N 2 0 281.444 1.588 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC001574908075 1171047120 /nfs/dbraw/zinc/04/71/20/1171047120.db2.gz CITUGDNYXNLVOX-HUUCEWRRSA-N 2 0 297.443 1.287 20 30 CDEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786523 342597128 /nfs/dbraw/zinc/59/71/28/342597128.db2.gz DBYHOWXXTOBPCU-AWEZNQCLSA-N 2 0 281.444 1.729 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083029526 342376382 /nfs/dbraw/zinc/37/63/82/342376382.db2.gz VPMPETYCKDCBBY-CQSZACIVSA-N 2 0 290.411 1.756 20 30 CDEDRP C[NH2+]C[C@@H](C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000596655029 343372289 /nfs/dbraw/zinc/37/22/89/343372289.db2.gz SCQPNTCJQSFATA-CQSZACIVSA-N 2 0 286.423 1.720 20 30 CDEDRP C[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C[NH+]1CCCC1 ZINC000598719414 343883299 /nfs/dbraw/zinc/88/32/99/343883299.db2.gz HXPHIBTVEFWYNK-UONOGXRCSA-N 2 0 267.417 1.609 20 30 CDEDRP N#CCCCC[NH+]1CCC(N2CCOCC2)CC1 ZINC000599474240 344062164 /nfs/dbraw/zinc/06/21/64/344062164.db2.gz LQCVWUWWSULTAM-UHFFFAOYSA-N 2 0 251.374 1.477 20 30 CDEDRP C=CCSCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000602544060 344461446 /nfs/dbraw/zinc/46/14/46/344461446.db2.gz IHLJQDVHKIKVBS-UHFFFAOYSA-N 2 0 272.458 1.731 20 30 CDEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602539506 344472726 /nfs/dbraw/zinc/47/27/26/344472726.db2.gz HLTMWBXQUNRWKH-HOTGVXAUSA-N 2 0 280.460 1.789 20 30 CDEDRP C[C@@H](CCC#N)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000602658463 344519663 /nfs/dbraw/zinc/51/96/63/344519663.db2.gz YHFZWGIRDCCQBF-HNNXBMFYSA-N 2 0 280.460 1.884 20 30 CDEDRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(CC#N)CC2)[C@@H](C)C1 ZINC000610812641 346443945 /nfs/dbraw/zinc/44/39/45/346443945.db2.gz GCKIVHBOZJZRFD-DZGCQCFKSA-N 2 0 264.417 1.294 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)OCCC[NH+]2CCCC2)CC1 ZINC000491147400 347578620 /nfs/dbraw/zinc/57/86/20/347578620.db2.gz RHILRGUJJFZBAC-UHFFFAOYSA-N 2 0 278.396 1.361 20 30 CDEDRP CCNC(=[NH2+])NCc1ccccc1C[NH+](CC)CC ZINC000264144603 362978403 /nfs/dbraw/zinc/97/84/03/362978403.db2.gz XISUIWVXEBNYBV-UHFFFAOYSA-N 2 0 262.401 1.953 20 30 CDEDRP CCNC(=[NH2+])NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000264322283 363032879 /nfs/dbraw/zinc/03/28/79/363032879.db2.gz XVTHXQPCSFEOTD-UHFFFAOYSA-N 2 0 278.400 1.441 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](C)[NH3+])C(C)C ZINC000165198795 188630132 /nfs/dbraw/zinc/63/01/32/188630132.db2.gz LXSCVHIPVSFITO-QWHCGFSZSA-N 2 0 253.390 1.148 20 30 CDEDRP C=CCOCCC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000570139148 363384885 /nfs/dbraw/zinc/38/48/85/363384885.db2.gz SIEIVWXFDJAHGU-KRWDZBQOSA-N 2 0 295.471 1.679 20 30 CDEDRP COCC#CCN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000677820616 482794899 /nfs/dbraw/zinc/79/48/99/482794899.db2.gz RBLNHKYQKQKWNJ-OAHLLOKOSA-N 2 0 250.386 1.300 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000050024179 359276954 /nfs/dbraw/zinc/27/69/54/359276954.db2.gz OEDVJTSYLSXDIY-UHFFFAOYSA-N 2 0 293.455 1.567 20 30 CDEDRP C[N@H+](CCCc1[nH]nc(N)c1C#N)CC[C@@H]1CCC[NH+]1C ZINC000162696403 359522682 /nfs/dbraw/zinc/52/26/82/359522682.db2.gz LSVCLBFHNATZFJ-LBPRGKRZSA-N 2 0 290.415 1.212 20 30 CDEDRP C=C[C@H](CC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000570634700 363835783 /nfs/dbraw/zinc/83/57/83/363835783.db2.gz DXVPOSVDUIYOMJ-ZBFHGGJFSA-N 2 0 287.407 1.448 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccoc1 ZINC000170904517 365158732 /nfs/dbraw/zinc/15/87/32/365158732.db2.gz PQDHUXQSNNJZBE-LBPRGKRZSA-N 2 0 250.346 1.168 20 30 CDEDRP CN(C)C(=[NH2+])NCc1ccccc1C[NH+]1CCCC1 ZINC000170908915 365159975 /nfs/dbraw/zinc/15/99/75/365159975.db2.gz IPCZCHBQKYBDFI-UHFFFAOYSA-N 2 0 260.385 1.659 20 30 CDEDRP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])Nc1ccccn1 ZINC000170913337 365162807 /nfs/dbraw/zinc/16/28/07/365162807.db2.gz AVMGLEXEANZIFN-LBPRGKRZSA-N 2 0 261.373 1.683 20 30 CDEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])N1CCC(C)CC1 ZINC000304834515 367045901 /nfs/dbraw/zinc/04/59/01/367045901.db2.gz MNCLJUNMHIZJEL-CQSZACIVSA-N 2 0 284.448 1.390 20 30 CDEDRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])ccc1C#N ZINC000414800110 241394111 /nfs/dbraw/zinc/39/41/11/241394111.db2.gz KSFFKFMCQAWGJA-TZMCWYRMSA-N 2 0 259.353 1.784 20 30 CDEDRP C=C(CC)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000358621136 367823308 /nfs/dbraw/zinc/82/33/08/367823308.db2.gz SFBWLACNYPKSLT-UHFFFAOYSA-N 2 0 267.417 1.342 20 30 CDEDRP CCCC[NH+]1CCC([NH2+]C[C@H](O)CN(C)CCC#N)CC1 ZINC000565416295 370441610 /nfs/dbraw/zinc/44/16/10/370441610.db2.gz CCMWPXKVONVZKG-INIZCTEOSA-N 2 0 296.459 1.047 20 30 CDEDRP COCCNC(=[NH2+])NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195165101 375990950 /nfs/dbraw/zinc/99/09/50/375990950.db2.gz NVZSAQGSBGIUOD-OAHLLOKOSA-N 2 0 290.411 1.059 20 30 CDEDRP C=CCNC(=O)[C@H](C)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246922086 377017086 /nfs/dbraw/zinc/01/70/86/377017086.db2.gz DDIGBRGOLOFRQA-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000066534487 378671789 /nfs/dbraw/zinc/67/17/89/378671789.db2.gz HWDDJYICBDRXMK-UHFFFAOYSA-N 2 0 273.424 1.922 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000351329863 391066651 /nfs/dbraw/zinc/06/66/51/391066651.db2.gz OWTLZUZXYAAYKO-CVEARBPZSA-N 2 0 266.429 1.977 20 30 CDEDRP C=CCNC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374179616 391152451 /nfs/dbraw/zinc/15/24/51/391152451.db2.gz UVKBJEQSFFSSSS-UHFFFAOYSA-N 2 0 265.401 1.096 20 30 CDEDRP C=CCOCC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000339061519 391248059 /nfs/dbraw/zinc/24/80/59/391248059.db2.gz LUAHZPCNKYEPQW-HNNXBMFYSA-N 2 0 281.444 1.289 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@H](C)N(C)Cc1ccccc1 ZINC000267474135 391197684 /nfs/dbraw/zinc/19/76/84/391197684.db2.gz YTKXXTZZJYDLPM-KBPBESRZSA-N 2 0 292.427 1.446 20 30 CDEDRP C=CCOCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339429643 391299292 /nfs/dbraw/zinc/29/92/92/391299292.db2.gz YMLDUELCCALKAY-HNNXBMFYSA-N 2 0 252.402 1.997 20 30 CDEDRP CC(C)CNC(=[NH2+])NCC1([NH+]2CCSCC2)CCCC1 ZINC000104173501 391325892 /nfs/dbraw/zinc/32/58/92/391325892.db2.gz NCIXBUMPFIRSTB-UHFFFAOYSA-N 2 0 298.500 1.908 20 30 CDEDRP C[C@H](CCC#N)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000411411008 391449408 /nfs/dbraw/zinc/44/94/08/391449408.db2.gz UMOVQATYZAWGJT-CQSZACIVSA-N 2 0 266.433 1.636 20 30 CDEDRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000355748279 391467554 /nfs/dbraw/zinc/46/75/54/391467554.db2.gz QXHIGEABFJMZSD-AWEZNQCLSA-N 2 0 296.459 1.847 20 30 CDEDRP C=CCOCCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000348029570 391413875 /nfs/dbraw/zinc/41/38/75/391413875.db2.gz FWCVWWVHWTWKPR-OWCLPIDISA-N 2 0 282.428 1.763 20 30 CDEDRP C=CCCn1cc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)nn1 ZINC000657307659 414158070 /nfs/dbraw/zinc/15/80/70/414158070.db2.gz SKPSPNMSJZGFGH-ZDUSSCGKSA-N 2 0 275.400 1.428 20 30 CDEDRP C[NH+]1CCC(C)(CNC(=[NH2+])Nc2ccccn2)CC1 ZINC000272451690 263004686 /nfs/dbraw/zinc/00/46/86/263004686.db2.gz WFIZHFYXTSYMQE-UHFFFAOYSA-N 2 0 261.373 1.540 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000341088053 263321821 /nfs/dbraw/zinc/32/18/21/263321821.db2.gz JXZUSHONWKSDRR-HIFRSBDPSA-N 2 0 294.443 1.419 20 30 CDEDRP COCC1(C#N)CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000341992829 263382481 /nfs/dbraw/zinc/38/24/81/263382481.db2.gz PYNWODHDBBTPNA-AWEZNQCLSA-N 2 0 265.401 1.723 20 30 CDEDRP CC(C)[NH+]1CCN(C2CC[NH+](CCCC#N)CC2)CC1 ZINC000371349676 267393970 /nfs/dbraw/zinc/39/39/70/267393970.db2.gz LEAIZTUBYBPVPG-UHFFFAOYSA-N 2 0 278.444 1.781 20 30 CDEDRP CCNC(=[NH2+])NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000264078795 328157346 /nfs/dbraw/zinc/15/73/46/328157346.db2.gz GPBKUSYBRDYPHZ-UHFFFAOYSA-N 2 0 274.412 1.748 20 30 CDEDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)cn2)CC1 ZINC000559075214 327140145 /nfs/dbraw/zinc/14/01/45/327140145.db2.gz ADDCULGZCOUDBW-GDBMZVCRSA-N 2 0 299.422 1.615 20 30 CDEDRP C=CCN(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188273363 329367308 /nfs/dbraw/zinc/36/73/08/329367308.db2.gz WLIFCKZJWOHUAW-MRXNPFEDSA-N 2 0 260.381 1.741 20 30 CDEDRP C[C@@H](C[NH+]=C(N(C)C)N(C)C)[N@H+](C)Cc1ccccc1 ZINC000262549661 330020763 /nfs/dbraw/zinc/02/07/63/330020763.db2.gz XKFHSMZJNGOISV-AWEZNQCLSA-N 2 0 276.428 1.986 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(O)CCCC1(C)C ZINC000263209195 330049252 /nfs/dbraw/zinc/04/92/52/330049252.db2.gz YTZXRHBAMIKTMK-CJNGLKHVSA-N 2 0 296.459 1.316 20 30 CDEDRP C=CCNC(NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)=[NH+]C ZINC000263259921 330050915 /nfs/dbraw/zinc/05/09/15/330050915.db2.gz SIAPXPSHLLKDTO-HIFRSBDPSA-N 2 0 266.433 1.848 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CC(F)(F)C1 ZINC000263275485 330051302 /nfs/dbraw/zinc/05/13/02/330051302.db2.gz QGSVNFFGJDQPCD-SNVBAGLBSA-N 2 0 260.332 1.173 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000424133823 330266301 /nfs/dbraw/zinc/26/63/01/330266301.db2.gz MSTYVXVNTJKHLG-AWEZNQCLSA-N 2 0 278.400 1.094 20 30 CDEDRP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424135431 330270418 /nfs/dbraw/zinc/27/04/18/330270418.db2.gz MGVAFUSDXIOCJU-LSDHHAIUSA-N 2 0 288.395 1.427 20 30 CDEDRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424149276 330295754 /nfs/dbraw/zinc/29/57/54/330295754.db2.gz WFAXKFDTVMQBKM-KBPBESRZSA-N 2 0 280.416 1.340 20 30 CDEDRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]([NH3+])CCCC#N ZINC000424159218 330306126 /nfs/dbraw/zinc/30/61/26/330306126.db2.gz VDSYQUAJBSZSER-HZSPNIEDSA-N 2 0 278.400 1.093 20 30 CDEDRP C[NH+](C)Cc1ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000424188804 330322042 /nfs/dbraw/zinc/32/20/42/330322042.db2.gz JXZGUTYZLVNCKO-OAHLLOKOSA-N 2 0 288.395 1.386 20 30 CDEDRP C=CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CC1 ZINC000121015584 330394948 /nfs/dbraw/zinc/39/49/48/330394948.db2.gz IUXHVKOAEIUYEH-JKSUJKDBSA-N 2 0 293.455 1.908 20 30 CDEDRP C=CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CC1 ZINC000121015391 330395016 /nfs/dbraw/zinc/39/50/16/330395016.db2.gz IUXHVKOAEIUYEH-HOTGVXAUSA-N 2 0 293.455 1.908 20 30 CDEDRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)ccn1 ZINC000442816124 330785228 /nfs/dbraw/zinc/78/52/28/330785228.db2.gz DEJDHAVHHOZDIH-UKRRQHHQSA-N 2 0 288.395 1.804 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC000454458147 331146582 /nfs/dbraw/zinc/14/65/82/331146582.db2.gz FVHMDKDZJBMXKF-ZDUSSCGKSA-N 2 0 282.432 1.276 20 30 CDEDRP C#CCN1CCN(C(=O)C[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000490780228 332115094 /nfs/dbraw/zinc/11/50/94/332115094.db2.gz GYKIVOQGPQLZNF-GASCZTMLSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000491373825 332199648 /nfs/dbraw/zinc/19/96/48/332199648.db2.gz OVUIJAMRZZVYPG-HNNXBMFYSA-N 2 0 294.443 1.115 20 30 CDEDRP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001752157794 1159457024 /nfs/dbraw/zinc/45/70/24/1159457024.db2.gz LFFPFVUBCFMIHZ-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[NH+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001755024928 1159505176 /nfs/dbraw/zinc/50/51/76/1159505176.db2.gz LLIRYCZVXSFOHR-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000367012573 526722107 /nfs/dbraw/zinc/72/21/07/526722107.db2.gz BPDYHZIEKWCRGN-UHFFFAOYSA-N 2 0 250.386 1.444 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](C)[NH+](C)C)C(C)C ZINC000078741523 538219742 /nfs/dbraw/zinc/21/97/42/538219742.db2.gz IGGGVNHHAIZESM-LSDHHAIUSA-N 2 0 281.444 1.751 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000730275902 574907274 /nfs/dbraw/zinc/90/72/74/574907274.db2.gz BIGRSJWBMVXVDR-JYJNAYRXSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000981334443 612958554 /nfs/dbraw/zinc/95/85/54/612958554.db2.gz LMPABSTYYXBHQT-CABCVRRESA-N 2 0 291.439 1.369 20 30 CDEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000969648141 612994017 /nfs/dbraw/zinc/99/40/17/612994017.db2.gz JJWMVSJGJLSZPA-ZBFHGGJFSA-N 2 0 291.439 1.319 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000980473053 613086572 /nfs/dbraw/zinc/08/65/72/613086572.db2.gz YMQKDKABWCFJAF-QGZVFWFLSA-N 2 0 299.418 1.528 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948041005 613327636 /nfs/dbraw/zinc/32/76/36/613327636.db2.gz WYMRNUIHRRHJBE-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000981953453 613493092 /nfs/dbraw/zinc/49/30/92/613493092.db2.gz NUEQJKBDRUZQOR-OAHLLOKOSA-N 2 0 279.428 1.581 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000981953452 613493250 /nfs/dbraw/zinc/49/32/50/613493250.db2.gz NUEQJKBDRUZQOR-HNNXBMFYSA-N 2 0 279.428 1.581 20 30 CDEDRP C=CCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000981459321 613494976 /nfs/dbraw/zinc/49/49/76/613494976.db2.gz RAXXSQIMAPTDCC-OAHLLOKOSA-N 2 0 279.428 1.581 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968332397 613732922 /nfs/dbraw/zinc/73/29/22/613732922.db2.gz WCRBECAOTPJCEN-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000960330572 613871070 /nfs/dbraw/zinc/87/10/70/613871070.db2.gz UUVANUXVCZEEMA-SJLPKXTDSA-N 2 0 299.418 1.640 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000891920839 617774121 /nfs/dbraw/zinc/77/41/21/617774121.db2.gz FCOPIRFJUILZLJ-CQSZACIVSA-N 2 0 294.443 1.019 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000891921712 617775898 /nfs/dbraw/zinc/77/58/98/617775898.db2.gz SPYACLKDAGXQOF-AWEZNQCLSA-N 2 0 294.443 1.019 20 30 CDEDRP CC[N@H+](CCNC(=[NH2+])N1CCC[C@H](C)C1)C1CC1 ZINC000104191632 618105030 /nfs/dbraw/zinc/10/50/30/618105030.db2.gz GWWLRACXPKOJIM-LBPRGKRZSA-N 2 0 252.406 1.517 20 30 CDEDRP C#CC[N@H+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000908436813 628200193 /nfs/dbraw/zinc/20/01/93/628200193.db2.gz VOXBXIYVNLSNAQ-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ccnc(C#N)c1 ZINC000911964975 629689578 /nfs/dbraw/zinc/68/95/78/629689578.db2.gz UNFLJQSJWYIBRH-UHFFFAOYSA-N 2 0 289.427 1.663 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000913519364 630524348 /nfs/dbraw/zinc/52/43/48/630524348.db2.gz XEMNTNZYTYMQJK-UHFFFAOYSA-N 2 0 273.380 1.043 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000913521468 630527161 /nfs/dbraw/zinc/52/71/61/630527161.db2.gz ALAXTYGWISRWAX-INIZCTEOSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000917098200 632147813 /nfs/dbraw/zinc/14/78/13/632147813.db2.gz SYMYUIZTNCEFMF-CQSZACIVSA-N 2 0 280.416 1.030 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130809566 1162722479 /nfs/dbraw/zinc/72/24/79/1162722479.db2.gz FTBRZFGOQKKVMG-UHFFFAOYSA-N 2 0 265.401 1.287 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001133063519 1163555122 /nfs/dbraw/zinc/55/51/22/1163555122.db2.gz BULCBDBOCBZQAN-LSDHHAIUSA-N 2 0 293.455 1.588 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126234 1164060972 /nfs/dbraw/zinc/06/09/72/1164060972.db2.gz GOWDUVDQOAVXOJ-SJORKVTESA-N 2 0 299.418 1.061 20 30 CDEDRP C#CC[NH2+][C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001676173933 1174187177 /nfs/dbraw/zinc/18/71/77/1174187177.db2.gz OAFBNAFOMIGKEC-HUUCEWRRSA-N 2 0 281.444 1.326 20 30 CDEDRP C#CC[NH2+][C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001700712972 1177086277 /nfs/dbraw/zinc/08/62/77/1177086277.db2.gz OAFBNAFOMIGKEC-CABCVRRESA-N 2 0 281.444 1.326 20 30 CDEDRP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CC=C)CC1 ZINC001716808491 1180420646 /nfs/dbraw/zinc/42/06/46/1180420646.db2.gz XIBLXDVVTMPZBB-MRXNPFEDSA-N 2 0 289.423 1.193 20 30 CDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001732309748 1182902248 /nfs/dbraw/zinc/90/22/48/1182902248.db2.gz DBSIJVFJLDAMOZ-MGPQQGTHSA-N 2 0 267.417 1.530 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001752980063 1184982060 /nfs/dbraw/zinc/98/20/60/1184982060.db2.gz IWGIROISXQKVIV-HUUCEWRRSA-N 2 0 281.444 1.921 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001752996258 1184987957 /nfs/dbraw/zinc/98/79/57/1184987957.db2.gz BAFKXRLKJOMQBS-HNNXBMFYSA-N 2 0 279.428 1.274 20 30 CDEDRP C=CCCC[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001753063690 1185030713 /nfs/dbraw/zinc/03/07/13/1185030713.db2.gz AYZCRZNHXKAVRY-CQSZACIVSA-N 2 0 267.417 1.342 20 30 CDEDRP C#CC[N@@H+](CCCNC(=O)CCc1c[nH]cn1)C(C)C ZINC001753286724 1185142769 /nfs/dbraw/zinc/14/27/69/1185142769.db2.gz FAUMKKDHOMUGQG-UHFFFAOYSA-N 2 0 276.384 1.192 20 30 CDEDRP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001753592504 1185261351 /nfs/dbraw/zinc/26/13/51/1185261351.db2.gz PWTLNJMNGOIVTE-KRWDZBQOSA-N 2 0 299.418 1.367 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001754348513 1185591112 /nfs/dbraw/zinc/59/11/12/1185591112.db2.gz JWASUGNHZGQVNL-HUUCEWRRSA-N 2 0 279.428 1.226 20 30 CDEDRP C#CCC[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001754680819 1185704468 /nfs/dbraw/zinc/70/44/68/1185704468.db2.gz VEICYVFQGATNNX-KRWDZBQOSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001754794831 1185733501 /nfs/dbraw/zinc/73/35/01/1185733501.db2.gz HXOOSFHCOVDXHC-KGLIPLIRSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001754949420 1185767733 /nfs/dbraw/zinc/76/77/33/1185767733.db2.gz DOENXMVRRWAQOM-JYJNAYRXSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001755134651 1185828042 /nfs/dbraw/zinc/82/80/42/1185828042.db2.gz JXRLZLUEEPLMEI-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCOCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001755163041 1185837644 /nfs/dbraw/zinc/83/76/44/1185837644.db2.gz CHGFPOMNQMBSBS-LSDHHAIUSA-N 2 0 297.443 1.110 20 30 CDEDRP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001755194790 1185849088 /nfs/dbraw/zinc/84/90/88/1185849088.db2.gz ZCKFSGYZIVKCSZ-OAHLLOKOSA-N 2 0 289.423 1.171 20 30 CDEDRP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001755392355 1185939461 /nfs/dbraw/zinc/93/94/61/1185939461.db2.gz UOVCYKZGZDZIQY-UONOGXRCSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001755572285 1185994346 /nfs/dbraw/zinc/99/43/46/1185994346.db2.gz CLIDXOWBWBCKJF-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001755861110 1186093502 /nfs/dbraw/zinc/09/35/02/1186093502.db2.gz IMCIOFCSPCGOKO-UHFFFAOYSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1CC ZINC001037860063 828833354 /nfs/dbraw/zinc/83/33/54/828833354.db2.gz MRIDPZSBIQEYDJ-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001032400900 832304004 /nfs/dbraw/zinc/30/40/04/832304004.db2.gz YKJAJONQQXJSIT-KKUMJFAQSA-N 2 0 277.412 1.330 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075620111 832389711 /nfs/dbraw/zinc/38/97/11/832389711.db2.gz ZSAZDLMIQABMCE-ARFHVFGLSA-N 2 0 291.439 1.580 20 30 CDEDRP CCN(CC)C(=[NH2+])NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000104167966 833143262 /nfs/dbraw/zinc/14/32/62/833143262.db2.gz ADMXYBRBJQJNIP-QWHCGFSZSA-N 2 0 254.422 1.763 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033426802 833182952 /nfs/dbraw/zinc/18/29/52/833182952.db2.gz VTLWDJHNMUYLRW-AWEZNQCLSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034129491 833213071 /nfs/dbraw/zinc/21/30/71/833213071.db2.gz BUEWOTFMRMHNMJ-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001022350760 833301400 /nfs/dbraw/zinc/30/14/00/833301400.db2.gz PEIAKRHLKCWKIO-ZNMIVQPWSA-N 2 0 279.428 1.530 20 30 CDEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])NCC1CCC1 ZINC000304847249 833305319 /nfs/dbraw/zinc/30/53/19/833305319.db2.gz VBABEHGMYWUDAQ-ZDUSSCGKSA-N 2 0 270.421 1.048 20 30 CDEDRP CC#CC[N@@H+]1C[C@H](NC(=O)Cn2cncc2C)CC[C@H]1C ZINC001071689985 828890172 /nfs/dbraw/zinc/89/01/72/828890172.db2.gz SPUQMWVTAMBUMD-UKRRQHHQSA-N 2 0 288.395 1.184 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000987352609 828892255 /nfs/dbraw/zinc/89/22/55/828892255.db2.gz AKSWGDOYJGSILN-QWHCGFSZSA-N 2 0 297.830 1.414 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033665579 828904248 /nfs/dbraw/zinc/90/42/48/828904248.db2.gz PEMQMFRLFFVPQF-CQSZACIVSA-N 2 0 265.401 1.191 20 30 CDEDRP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001000755885 828971890 /nfs/dbraw/zinc/97/18/90/828971890.db2.gz BYMKJZJIPZCYMV-INIZCTEOSA-N 2 0 289.423 1.242 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001027453056 833356840 /nfs/dbraw/zinc/35/68/40/833356840.db2.gz YSSUJWOAOIGRNN-GJZGRUSLSA-N 2 0 279.428 1.129 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046596152 829081038 /nfs/dbraw/zinc/08/10/38/829081038.db2.gz UYNNYXCSHFIQLQ-KRWDZBQOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027604337 833370734 /nfs/dbraw/zinc/37/07/34/833370734.db2.gz PAIOVYQMBKTSAN-MRXNPFEDSA-N 2 0 293.455 1.827 20 30 CDEDRP CC#CCN1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001038778581 829384607 /nfs/dbraw/zinc/38/46/07/829384607.db2.gz GUCUYSSXLOBJNT-JKSUJKDBSA-N 2 0 291.439 1.463 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001036095996 829387178 /nfs/dbraw/zinc/38/71/78/829387178.db2.gz ZGYLXQZWZMYROU-LSDHHAIUSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033219051 833426675 /nfs/dbraw/zinc/42/66/75/833426675.db2.gz XGJPZMTYSAWNLO-HOTGVXAUSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001016967778 829591877 /nfs/dbraw/zinc/59/18/77/829591877.db2.gz AVSPFVMQNKIHGA-GJZGRUSLSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000996249791 829722075 /nfs/dbraw/zinc/72/20/75/829722075.db2.gz TZAOCXLUOMFECY-ZIAGYGMSSA-N 2 0 279.428 1.032 20 30 CDEDRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000219305409 829745615 /nfs/dbraw/zinc/74/56/15/829745615.db2.gz XJWFSTMZTUBSNE-AWEZNQCLSA-N 2 0 291.395 1.818 20 30 CDEDRP C=CCC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033414597 829840614 /nfs/dbraw/zinc/84/06/14/829840614.db2.gz CUTBAFIYOPXUBR-GJZGRUSLSA-N 2 0 279.428 1.437 20 30 CDEDRP C[C@@H]1C[N@@H+](CCCNC(=[NH2+])N2CCCCCC2)C[C@H](C)O1 ZINC000125920459 829925900 /nfs/dbraw/zinc/92/59/00/829925900.db2.gz GOSLHRPCDYLBGF-GASCZTMLSA-N 2 0 296.459 1.676 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CCc2ncc[nH]2)C1 ZINC001027388399 833577516 /nfs/dbraw/zinc/57/75/16/833577516.db2.gz PQSDBFBTIWNIKE-ZDUSSCGKSA-N 2 0 276.384 1.451 20 30 CDEDRP C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001032433163 830085602 /nfs/dbraw/zinc/08/56/02/830085602.db2.gz KSPGUAXQDKUWKJ-HRCADAONSA-N 2 0 289.423 1.169 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001027680569 830188417 /nfs/dbraw/zinc/18/84/17/830188417.db2.gz HPPNJBDXANLAOK-KGLIPLIRSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001039438108 830308811 /nfs/dbraw/zinc/30/88/11/830308811.db2.gz GWARUHNFIAKPRI-ILXRZTDVSA-N 2 0 279.428 1.578 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CC)C2)CC1 ZINC000995231611 830349032 /nfs/dbraw/zinc/34/90/32/830349032.db2.gz NJEGBQQFLNILQW-HOCLYGCPSA-N 2 0 291.439 1.226 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC=C)C2)CC1 ZINC001046849481 830363308 /nfs/dbraw/zinc/36/33/08/830363308.db2.gz GBEGUHPOZIKYEQ-QGZVFWFLSA-N 2 0 289.423 1.098 20 30 CDEDRP C[N@@H+]1CC[C@@H]2CN(Cc3cncc(C#N)c3)C[C@@H]2C1 ZINC000721556449 830379669 /nfs/dbraw/zinc/37/96/69/830379669.db2.gz BWHYHWKSYQHZPF-CABCVRRESA-N 2 0 256.353 1.337 20 30 CDEDRP CCCNC(=[NH2+])NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000303876166 830402341 /nfs/dbraw/zinc/40/23/41/830402341.db2.gz DSTRYLWXWHROCW-CYBMUJFWSA-N 2 0 254.422 1.813 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033359148 830399197 /nfs/dbraw/zinc/39/91/97/830399197.db2.gz VFVRAKGFEBKUTD-JYJNAYRXSA-N 2 0 293.455 1.826 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001009628475 830418717 /nfs/dbraw/zinc/41/87/17/830418717.db2.gz OWSBIPVJUKISGR-INIZCTEOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001036131238 830656943 /nfs/dbraw/zinc/65/69/43/830656943.db2.gz KCSYODKXKKNGPQ-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834493666 832081121 /nfs/dbraw/zinc/08/11/21/832081121.db2.gz GLNVUWVZUQPNGB-ZIAGYGMSSA-N 2 0 280.416 1.116 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)CCC#N ZINC000849028292 832090962 /nfs/dbraw/zinc/09/09/62/832090962.db2.gz GYERYBSHRQXEPZ-CYBMUJFWSA-N 2 0 279.432 1.915 20 30 CDEDRP CC(C)NC(=[NH2+])NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000303909344 833808028 /nfs/dbraw/zinc/80/80/28/833808028.db2.gz YDDFEAOPCYTOTQ-ZDUSSCGKSA-N 2 0 254.422 1.954 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015925710 832326574 /nfs/dbraw/zinc/32/65/74/832326574.db2.gz BYLLKIVKOSBXGY-INIZCTEOSA-N 2 0 293.455 1.873 20 30 CDEDRP CCC[N@H+](CC)CCNC(=[NH2+])Nc1cccc(OC)c1 ZINC000083052908 832353670 /nfs/dbraw/zinc/35/36/70/832353670.db2.gz VOKBUDUDEYQQGX-UHFFFAOYSA-N 2 0 278.400 1.963 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028266844 832379451 /nfs/dbraw/zinc/37/94/51/832379451.db2.gz BVVILJYNHKPVPT-CQSZACIVSA-N 2 0 277.412 1.239 20 30 CDEDRP C[C@@H]1CCC[N@H+](CCCC[NH+]=C(N(C)C)N(C)C)C1 ZINC000303904617 833849905 /nfs/dbraw/zinc/84/99/05/833849905.db2.gz VACRHOBFAOOGKB-CQSZACIVSA-N 2 0 268.449 1.978 20 30 CDEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001035732631 833857916 /nfs/dbraw/zinc/85/79/16/833857916.db2.gz HOMQHGSTSIDTNI-HNNXBMFYSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CC[N@@H+]1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001072898066 832467474 /nfs/dbraw/zinc/46/74/74/832467474.db2.gz GQYHCOKKNIQEBV-UHFFFAOYSA-N 2 0 296.374 1.668 20 30 CDEDRP COc1ccccc1CNC(=[NH2+])NCC[N@H+](C)C(C)C ZINC000170914461 832479366 /nfs/dbraw/zinc/47/93/66/832479366.db2.gz TZAYJDQNTRWLJY-UHFFFAOYSA-N 2 0 278.400 1.440 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001038423533 833972925 /nfs/dbraw/zinc/97/29/25/833972925.db2.gz DEJAMKNOTWYBGH-ZIAGYGMSSA-N 2 0 288.395 1.212 20 30 CDEDRP CC1CC[NH+](CCNC(=[NH2+])N2CCCCCC2)CC1 ZINC000125970138 833517042 /nfs/dbraw/zinc/51/70/42/833517042.db2.gz BTEHVTZHLYBFKJ-UHFFFAOYSA-N 2 0 266.433 1.909 20 30 CDEDRP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027960806 833521302 /nfs/dbraw/zinc/52/13/02/833521302.db2.gz DXXDTVUDFYZAGN-OAHLLOKOSA-N 2 0 291.439 1.629 20 30 CDEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001046634940 833636351 /nfs/dbraw/zinc/63/63/51/833636351.db2.gz KAHLYTIISUCWCM-IOASZLSFSA-N 2 0 288.395 1.290 20 30 CDEDRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CC3(C#N)CCC3)CC[C@@H]21 ZINC000886043600 833636641 /nfs/dbraw/zinc/63/66/41/833636641.db2.gz GCPZGKMIULJSNT-OAGGEKHMSA-N 2 0 291.439 1.847 20 30 CDEDRP CNC(NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)=[NH+]C ZINC000386516640 833746097 /nfs/dbraw/zinc/74/60/97/833746097.db2.gz XZUORJLKERGMTD-INIZCTEOSA-N 2 0 274.412 1.693 20 30 CDEDRP C=CC[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001049235858 833853503 /nfs/dbraw/zinc/85/35/03/833853503.db2.gz XROWVAJNQIDLTH-IYBDPMFKSA-N 2 0 291.439 1.439 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001076253616 833854028 /nfs/dbraw/zinc/85/40/28/833854028.db2.gz OGALNTIZGTYIKL-HRCADAONSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001017958584 833877036 /nfs/dbraw/zinc/87/70/36/833877036.db2.gz JKRIIEPLWMOOAU-ZNMIVQPWSA-N 2 0 279.428 1.578 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001032626798 834022758 /nfs/dbraw/zinc/02/27/58/834022758.db2.gz KYTVBAANKNEOHX-KKUMJFAQSA-N 2 0 277.412 1.332 20 30 CDEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001034673394 834063146 /nfs/dbraw/zinc/06/31/46/834063146.db2.gz ZLXJSRJJLBVKSC-KKUMJFAQSA-N 2 0 277.412 1.121 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000999366788 834302030 /nfs/dbraw/zinc/30/20/30/834302030.db2.gz ZZKNXOSOOUGQTM-CYBMUJFWSA-N 2 0 299.846 1.804 20 30 CDEDRP C#C[C@@H](C)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775182558 834318269 /nfs/dbraw/zinc/31/82/69/834318269.db2.gz COEARBHLDQMQPS-OAHLLOKOSA-N 2 0 271.408 1.892 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001038271798 834321817 /nfs/dbraw/zinc/32/18/17/834321817.db2.gz GGSWGFAMIDHFLS-SOUVJXGZSA-N 2 0 279.428 1.483 20 30 CDEDRP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000923361166 834327436 /nfs/dbraw/zinc/32/74/36/834327436.db2.gz DSYXWZBQWXZHCB-FGTMMUONSA-N 2 0 299.418 1.913 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001044796344 834383734 /nfs/dbraw/zinc/38/37/34/834383734.db2.gz JSEPUOGYZFMSQY-HOTGVXAUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034523674 834567102 /nfs/dbraw/zinc/56/71/02/834567102.db2.gz AGGDVLXRGSLGNN-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CCN1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001007368855 834602270 /nfs/dbraw/zinc/60/22/70/834602270.db2.gz LOZRMSHCOMQIHT-OWCLPIDISA-N 2 0 291.439 1.321 20 30 CDEDRP N#Cc1ccc(N2CCC([NH2+]C[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC000873251472 834651013 /nfs/dbraw/zinc/65/10/13/834651013.db2.gz VSCXTBRPOUPKBO-GASCZTMLSA-N 2 0 284.407 1.854 20 30 CDEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001072941427 834716889 /nfs/dbraw/zinc/71/68/89/834716889.db2.gz PJSBSZRFGBNHTO-UHFFFAOYSA-N 2 0 291.439 1.439 20 30 CDEDRP C=C(Cl)CN1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015994811 834762676 /nfs/dbraw/zinc/76/26/76/834762676.db2.gz MQIHMFGXYCYFKG-QWHCGFSZSA-N 2 0 285.819 1.271 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000923364421 834806629 /nfs/dbraw/zinc/80/66/29/834806629.db2.gz MJEWVVMAWDUILL-HUUCEWRRSA-N 2 0 252.402 1.778 20 30 CDEDRP CCC[NH+](CCC)CCC[NH+]=C(N(C)C)N(C)C ZINC000104177491 834844038 /nfs/dbraw/zinc/84/40/38/834844038.db2.gz UWFCTUFODXFHSV-UHFFFAOYSA-N 2 0 256.438 1.978 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001028235424 834974368 /nfs/dbraw/zinc/97/43/68/834974368.db2.gz XHESENWFLAPROX-INIZCTEOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCCC[N@H+]1CCCC[C@H]1C ZINC000104156692 835056904 /nfs/dbraw/zinc/05/69/04/835056904.db2.gz ATRXALZTVINAIV-CYBMUJFWSA-N 2 0 252.406 1.731 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001072982080 835070782 /nfs/dbraw/zinc/07/07/82/835070782.db2.gz YVCLRKDZQVMMDP-HUUCEWRRSA-N 2 0 291.439 1.295 20 30 CDEDRP N#Cc1ccc(N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000866704224 835204896 /nfs/dbraw/zinc/20/48/96/835204896.db2.gz RRZYGRUIAMEZGV-INIZCTEOSA-N 2 0 284.407 1.680 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052871855 835330789 /nfs/dbraw/zinc/33/07/89/835330789.db2.gz QOWSZJDXMYDCPQ-AWEZNQCLSA-N 2 0 277.412 1.239 20 30 CDEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)Cc2cncn2C)CC1 ZINC001006292046 835406224 /nfs/dbraw/zinc/40/62/24/835406224.db2.gz LKFOVOWCVLAMCV-UHFFFAOYSA-N 2 0 290.411 1.462 20 30 CDEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992482825 835532272 /nfs/dbraw/zinc/53/22/72/835532272.db2.gz YAMKDAWQDBSKPA-ZMSDIMECSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001016828918 835612765 /nfs/dbraw/zinc/61/27/65/835612765.db2.gz JRHZJHLIOKUWKS-GJZGRUSLSA-N 2 0 291.439 1.627 20 30 CDEDRP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCSCC2)C1 ZINC000261990307 835638346 /nfs/dbraw/zinc/63/83/46/835638346.db2.gz LRYYVYOFZQWTKE-CYBMUJFWSA-N 2 0 284.473 1.470 20 30 CDEDRP C[C@@](C[NH3+])([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000923296235 835645288 /nfs/dbraw/zinc/64/52/88/835645288.db2.gz PWEOEZXMJJYMAH-HOCLYGCPSA-N 2 0 289.379 1.015 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000923361351 835720539 /nfs/dbraw/zinc/72/05/39/835720539.db2.gz JAKVZYGIGWSUBU-ZNMIVQPWSA-N 2 0 268.401 1.142 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001028096573 835725835 /nfs/dbraw/zinc/72/58/35/835725835.db2.gz ACGVGMLUXPJZRK-HRCADAONSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001018964377 835743862 /nfs/dbraw/zinc/74/38/62/835743862.db2.gz CQDGPMRXACQGHS-STQMWFEESA-N 2 0 285.819 1.270 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001088980181 912424858 /nfs/dbraw/zinc/42/48/58/912424858.db2.gz ACNAKCXRZUCMTA-OAGGEKHMSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001167237198 894932946 /nfs/dbraw/zinc/93/29/46/894932946.db2.gz WZLCSAPVKPVQMF-HUUCEWRRSA-N 2 0 291.439 1.084 20 30 CDEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210811142 895448562 /nfs/dbraw/zinc/44/85/62/895448562.db2.gz JZTCEZRREKVOTE-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106665503 914115037 /nfs/dbraw/zinc/11/50/37/914115037.db2.gz ZDCOWAAUAXPTOK-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176563967 914180980 /nfs/dbraw/zinc/18/09/80/914180980.db2.gz IZFXYMLVXOQWBJ-CABCVRRESA-N 2 0 279.428 1.226 20 30 CDEDRP C=CC[NH+]1CCCO[C@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001150620620 914242112 /nfs/dbraw/zinc/24/21/12/914242112.db2.gz VALMJGHMESZBAN-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001106783286 914296666 /nfs/dbraw/zinc/29/66/66/914296666.db2.gz KPZDYHLGCOPACA-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001176856324 914351226 /nfs/dbraw/zinc/35/12/26/914351226.db2.gz KCSRYXWTTZISDD-HUUCEWRRSA-N 2 0 281.444 1.921 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C[C@H](C)CC)CC1 ZINC001176926647 914359882 /nfs/dbraw/zinc/35/98/82/914359882.db2.gz REAWSDIAOHAYCE-OAHLLOKOSA-N 2 0 293.455 1.474 20 30 CDEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001088413416 907128871 /nfs/dbraw/zinc/12/88/71/907128871.db2.gz FWXYTNFRGCZHSI-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001168291229 908916797 /nfs/dbraw/zinc/91/67/97/908916797.db2.gz SCPBQWOATRNKQR-HUUCEWRRSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001092604397 909467731 /nfs/dbraw/zinc/46/77/31/909467731.db2.gz JWAQMKXMUUQVDA-BZUAXINKSA-N 2 0 291.439 1.177 20 30 CDEDRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@H](C)CCCC#N)O1 ZINC001172485131 911687541 /nfs/dbraw/zinc/68/75/41/911687541.db2.gz MEOLVJXLRUVAKR-SYQHCUMBSA-N 2 0 269.389 1.383 20 30 CDEDRP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001150779816 915260879 /nfs/dbraw/zinc/26/08/79/915260879.db2.gz WHCIRNNXYIZKGJ-OAHLLOKOSA-N 2 0 297.443 1.110 20 30 CDEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1CCCC1 ZINC001484008873 915285473 /nfs/dbraw/zinc/28/54/73/915285473.db2.gz HUFYPSYLRAXLSC-CVEARBPZSA-N 2 0 293.455 1.615 20 30 CDEDRP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203360957 916104492 /nfs/dbraw/zinc/10/44/92/916104492.db2.gz ZUSDHISCLHUAHP-CABCVRRESA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001183765530 918663250 /nfs/dbraw/zinc/66/32/50/918663250.db2.gz UQRYNXMMNQLURR-CYBMUJFWSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185085901 919396718 /nfs/dbraw/zinc/39/67/18/919396718.db2.gz NQPQQSXAHSVOBF-HUUCEWRRSA-N 2 0 281.444 1.588 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185384322 919566760 /nfs/dbraw/zinc/56/67/60/919566760.db2.gz AYBVEXHAJMRNBY-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001185762112 919743625 /nfs/dbraw/zinc/74/36/25/919743625.db2.gz MFOICRVKVKALQL-GJZGRUSLSA-N 2 0 279.428 1.034 20 30 CDEDRP C#CCOc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001205033935 919998694 /nfs/dbraw/zinc/99/86/94/919998694.db2.gz XOQFVOTVQCNNCL-UHFFFAOYSA-N 2 0 258.365 1.869 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186807719 920164201 /nfs/dbraw/zinc/16/42/01/920164201.db2.gz DGBKBKGCWVTREA-GFCCVEGCSA-N 2 0 273.808 1.271 20 30 CDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001187322635 920468401 /nfs/dbraw/zinc/46/84/01/920468401.db2.gz POPAUSSXSPDNSF-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001072815992 936710414 /nfs/dbraw/zinc/71/04/14/936710414.db2.gz NPXYSQXRBNLUCP-UHFFFAOYSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203037096 936711232 /nfs/dbraw/zinc/71/12/32/936711232.db2.gz RLLAPZRIQPPFEL-CABCVRRESA-N 2 0 289.423 1.121 20 30 CDEDRP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001190492511 922045847 /nfs/dbraw/zinc/04/58/47/922045847.db2.gz QEFDRHFTSGDNQQ-HZPDHXFCSA-N 2 0 291.439 1.417 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001190948601 922298471 /nfs/dbraw/zinc/29/84/71/922298471.db2.gz WJLHRJULWBSUPC-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001190949077 922299002 /nfs/dbraw/zinc/29/90/02/922299002.db2.gz XFTNNSLSWPAQTB-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193460380 923695107 /nfs/dbraw/zinc/69/51/07/923695107.db2.gz BPNLYNJFKSRJRF-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001079730816 924413425 /nfs/dbraw/zinc/41/34/25/924413425.db2.gz QBAUZPBCXZBCQG-LXTVHRRPSA-N 2 0 279.428 1.339 20 30 CDEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001080135127 924491669 /nfs/dbraw/zinc/49/16/69/924491669.db2.gz RCLSHHWAIZDUIW-IUODEOHRSA-N 2 0 282.347 1.018 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=C)C)C1 ZINC001082567915 924960301 /nfs/dbraw/zinc/96/03/01/924960301.db2.gz LHEQXNAVBOIVCF-OAGGEKHMSA-N 2 0 289.423 1.097 20 30 CDEDRP C=CCOCC[N@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970447 925015337 /nfs/dbraw/zinc/01/53/37/925015337.db2.gz FSIHCDOEIVEXJU-UHFFFAOYSA-N 2 0 297.443 1.065 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166687255 925254170 /nfs/dbraw/zinc/25/41/70/925254170.db2.gz LCBPJYZJFSBZFB-MRXNPFEDSA-N 2 0 299.434 1.871 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001085333132 925890773 /nfs/dbraw/zinc/89/07/73/925890773.db2.gz AYBKFGQZZCILGS-HUUCEWRRSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001085374044 925919204 /nfs/dbraw/zinc/91/92/04/925919204.db2.gz WDNUPBAOSYIWEF-HZPDHXFCSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368539 937053604 /nfs/dbraw/zinc/05/36/04/937053604.db2.gz ZGWZMBVSEDIGIG-OWCLPIDISA-N 2 0 293.455 1.731 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001201150022 926205180 /nfs/dbraw/zinc/20/51/80/926205180.db2.gz SYQKACAOKABUBJ-HNNXBMFYSA-N 2 0 281.444 1.729 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085968788 926551933 /nfs/dbraw/zinc/55/19/33/926551933.db2.gz POEDHXOLHBDVMY-KBPBESRZSA-N 2 0 265.401 1.047 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001086122802 926727554 /nfs/dbraw/zinc/72/75/54/926727554.db2.gz YODWMDWSLSNPJB-HZSPNIEDSA-N 2 0 299.846 1.708 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001086221323 926851045 /nfs/dbraw/zinc/85/10/45/926851045.db2.gz OSZWRIPNXZTARJ-QKPAOTATSA-N 2 0 291.439 1.674 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001086400191 927077623 /nfs/dbraw/zinc/07/76/23/927077623.db2.gz YNYRSXXUJMWXBB-KLHDSHLOSA-N 2 0 289.423 1.121 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550417 937145609 /nfs/dbraw/zinc/14/56/09/937145609.db2.gz OTZLDRWNLDKPII-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CCC)C1 ZINC001103662679 937150484 /nfs/dbraw/zinc/15/04/84/937150484.db2.gz KASDBTFOLOJWCS-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](C)C)C2 ZINC001108749825 928629202 /nfs/dbraw/zinc/62/92/02/928629202.db2.gz MCIVFRHTCNBJTA-JYJNAYRXSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CCC)C2 ZINC001112567240 929184474 /nfs/dbraw/zinc/18/44/74/929184474.db2.gz DPKLHDORMQIQPJ-RDJZCZTQSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001112578193 929199273 /nfs/dbraw/zinc/19/92/73/929199273.db2.gz CJSWBYBAJRJLAW-VYDXJSESSA-N 2 0 291.439 1.342 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001152446082 937362109 /nfs/dbraw/zinc/36/21/09/937362109.db2.gz STYOOAFTGISXGX-GFCCVEGCSA-N 2 0 273.808 1.319 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134759554 929887974 /nfs/dbraw/zinc/88/79/74/929887974.db2.gz SPMPSALCOUMRQP-HNNXBMFYSA-N 2 0 281.444 1.923 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134757386 929894439 /nfs/dbraw/zinc/89/44/39/929894439.db2.gz OPXSVQAHJDPZCM-OAHLLOKOSA-N 2 0 281.444 1.923 20 30 CDEDRP C=CCOCC[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134758107 929895014 /nfs/dbraw/zinc/89/50/14/929895014.db2.gz WGNUIEOREJAOTM-HNNXBMFYSA-N 2 0 297.443 1.159 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135102276 930052243 /nfs/dbraw/zinc/05/22/43/930052243.db2.gz BNWRFTPTAKPNQL-HUUCEWRRSA-N 2 0 279.428 1.675 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135308035 930139933 /nfs/dbraw/zinc/13/99/33/930139933.db2.gz NDTXIGZXKXSOHE-CHWSQXEVSA-N 2 0 289.851 1.954 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135923333 930542198 /nfs/dbraw/zinc/54/21/98/930542198.db2.gz JQGVEBOOMLAJEK-KGLIPLIRSA-N 2 0 285.432 1.014 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135977758 930587897 /nfs/dbraw/zinc/58/78/97/930587897.db2.gz YNSWLUKOOSSACE-OLZOCXBDSA-N 2 0 289.851 1.954 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153891183 937481672 /nfs/dbraw/zinc/48/16/72/937481672.db2.gz PUZFDMTZDXQOGJ-CABCVRRESA-N 2 0 279.428 1.321 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)CC ZINC001154069577 937499999 /nfs/dbraw/zinc/49/99/99/937499999.db2.gz HDLOCCIOGLINEU-CQSZACIVSA-N 2 0 281.444 1.567 20 30 CDEDRP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C#N)nc3)C[C@H]2CC1 ZINC001275295349 931726972 /nfs/dbraw/zinc/72/69/72/931726972.db2.gz HYQJQOUKOHNLBJ-GASCZTMLSA-N 2 0 270.380 1.727 20 30 CDEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)Cn1cncc1C ZINC001154332178 937532185 /nfs/dbraw/zinc/53/21/85/937532185.db2.gz JVINEIIZSXJYSJ-OAHLLOKOSA-N 2 0 292.427 1.984 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001091095756 931825647 /nfs/dbraw/zinc/82/56/47/931825647.db2.gz BYDRIXCXNXZNLC-UHFFFAOYSA-N 2 0 291.439 1.533 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001091201152 931998408 /nfs/dbraw/zinc/99/84/08/931998408.db2.gz CECCHHJOHZZORV-LQULJDIASA-N 2 0 279.428 1.387 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001095439737 932481101 /nfs/dbraw/zinc/48/11/01/932481101.db2.gz BUPFAQMYJLCHIS-CWVYHPPDSA-N 2 0 291.439 1.624 20 30 CDEDRP C=CC[NH2+]CCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001147402455 932500241 /nfs/dbraw/zinc/50/02/41/932500241.db2.gz QBSXFTVHKNETKE-MRXNPFEDSA-N 2 0 275.396 1.355 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051542 932642115 /nfs/dbraw/zinc/64/21/15/932642115.db2.gz NQJLTUSXTHEVQP-UHFFFAOYSA-N 2 0 282.775 1.220 20 30 CDEDRP C=C1C[C@@H]2CC([N@H+]3CCO[C@@H](C[NH3+])C3)C[C@H](C1)C2 ZINC001257886935 934283536 /nfs/dbraw/zinc/28/35/36/934283536.db2.gz QTTITIVFLNYKEY-IXXDHKBRSA-N 2 0 250.386 1.781 20 30 CDEDRP C#CC[NH2+]C1CC2(CC(NC(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001121232634 937863212 /nfs/dbraw/zinc/86/32/12/937863212.db2.gz GYQSLOWORZHDKJ-UHFFFAOYSA-N 2 0 289.423 1.121 20 30 CDEDRP C#CC[NH2+]CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001121997326 937897745 /nfs/dbraw/zinc/89/77/45/937897745.db2.gz VFZVGUILJRWOQQ-JKSUJKDBSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158098334 938582460 /nfs/dbraw/zinc/58/24/60/938582460.db2.gz IDAARUSKHHCIPN-OAHLLOKOSA-N 2 0 293.455 1.923 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001165810163 939578209 /nfs/dbraw/zinc/57/82/09/939578209.db2.gz XRVDKHXOYPTKLM-UHFFFAOYSA-N 2 0 279.428 1.226 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166667795 939624816 /nfs/dbraw/zinc/62/48/16/939624816.db2.gz IQKFUOCKPDDKFW-ZDUSSCGKSA-N 2 0 253.390 1.000 20 30 CDEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203327432 939683089 /nfs/dbraw/zinc/68/30/89/939683089.db2.gz YCAGTEODGZJNMZ-GJZGRUSLSA-N 2 0 291.439 1.369 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001203456456 939687247 /nfs/dbraw/zinc/68/72/47/939687247.db2.gz ZOWVOOYJHSWRCV-UHFFFAOYSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203577607 939694473 /nfs/dbraw/zinc/69/44/73/939694473.db2.gz RKEISZJNKGRTQT-CABCVRRESA-N 2 0 291.439 1.369 20 30 CDEDRP N#Cc1cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)ccc1Cl ZINC001205247296 939841737 /nfs/dbraw/zinc/84/17/37/939841737.db2.gz FCXZAVUOWBQXMF-OAHLLOKOSA-N 2 0 293.798 1.887 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001205334230 939882169 /nfs/dbraw/zinc/88/21/69/939882169.db2.gz HFDKMEMIGILLFU-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001206274228 940010079 /nfs/dbraw/zinc/01/00/79/940010079.db2.gz FDPXAEXFUCVZEE-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207617187 940222187 /nfs/dbraw/zinc/22/21/87/940222187.db2.gz PMBFXKMTBMCRIV-OWCLPIDISA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208062548 940281740 /nfs/dbraw/zinc/28/17/40/940281740.db2.gz CFTJSBRRYQHUBI-JKSUJKDBSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001208362507 940324015 /nfs/dbraw/zinc/32/40/15/940324015.db2.gz OZYOLVPCCMEISM-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425364 940329786 /nfs/dbraw/zinc/32/97/86/940329786.db2.gz FCKVTSBTKNQXNB-ZIAGYGMSSA-N 2 0 279.428 1.341 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208491762 940335076 /nfs/dbraw/zinc/33/50/76/940335076.db2.gz OUIUNAIVXMOAJA-OAHLLOKOSA-N 2 0 289.423 1.219 20 30 CDEDRP C[N@H+]1C[C@@H]2C[NH+](CCCc3cccc(C#N)c3)C[C@@H]2C1 ZINC001208850841 940396064 /nfs/dbraw/zinc/39/60/64/940396064.db2.gz KZJRJFRUYZGPRE-CALCHBBNSA-N 2 0 269.392 1.984 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001209641247 940622006 /nfs/dbraw/zinc/62/20/06/940622006.db2.gz HVHTTZQYEZOCOY-CVEARBPZSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210773202 940711427 /nfs/dbraw/zinc/71/14/27/940711427.db2.gz HTVRTJILIJQZEY-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211073880 940728422 /nfs/dbraw/zinc/72/84/22/940728422.db2.gz UOQDAHSKLBNHDO-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211239633 940740334 /nfs/dbraw/zinc/74/03/34/940740334.db2.gz AMYRRTDFUIYKNN-MRXNPFEDSA-N 2 0 291.439 1.466 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001215474524 940888372 /nfs/dbraw/zinc/88/83/72/940888372.db2.gz WVKHZQIZRRCQOX-RBSFLKMASA-N 2 0 281.444 1.585 20 30 CDEDRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000402251074 940892111 /nfs/dbraw/zinc/89/21/11/940892111.db2.gz IVULWNYLKSKMCA-VBNZEHGJSA-N 2 0 273.380 1.651 20 30 CDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001215558175 940894134 /nfs/dbraw/zinc/89/41/34/940894134.db2.gz MZLCUFBCUFJVFQ-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP N#Cc1ccccc1C[N@H+]1CC[C@@H](OCCC[NH3+])C1 ZINC001217884181 941026484 /nfs/dbraw/zinc/02/64/84/941026484.db2.gz MKXUNJMUGMBXJH-OAHLLOKOSA-N 2 0 259.353 1.498 20 30 CDEDRP C=C1CC[NH2+]C[C@@H]1Oc1ccc2c(c1C)CC[NH2+]C2 ZINC001218206770 941044300 /nfs/dbraw/zinc/04/43/00/941044300.db2.gz NSJMGLRXGMWFRK-INIZCTEOSA-N 2 0 258.365 1.938 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219640627 941367870 /nfs/dbraw/zinc/36/78/70/941367870.db2.gz BATKDBSVIIMIAQ-ILXRZTDVSA-N 2 0 281.444 1.812 20 30 CDEDRP C=CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])c1ccccc1 ZINC001221361572 941521865 /nfs/dbraw/zinc/52/18/65/941521865.db2.gz WZEFVPMALRPZIS-LSDHHAIUSA-N 2 0 275.396 1.876 20 30 CDEDRP C#CC[C@]1(C(=O)NC(C[NH3+])(CCC)CCC)CCC[NH2+]1 ZINC001221373079 941523578 /nfs/dbraw/zinc/52/35/78/941523578.db2.gz FFVXLROOJRMEMJ-MRXNPFEDSA-N 2 0 279.428 1.546 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001223472094 941680158 /nfs/dbraw/zinc/68/01/58/941680158.db2.gz KCOKVHCILICQLZ-UHFFFAOYSA-N 2 0 279.428 1.485 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001227082524 942129229 /nfs/dbraw/zinc/12/92/29/942129229.db2.gz GUGKUDAMLOQWCN-OAGGEKHMSA-N 2 0 291.439 1.511 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001229254848 942440323 /nfs/dbraw/zinc/44/03/23/942440323.db2.gz ZAPOKYGTWOOZJH-HNNXBMFYSA-N 2 0 281.444 1.873 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001229523174 942487091 /nfs/dbraw/zinc/48/70/91/942487091.db2.gz CYTMXOBQVRIRPH-HUUCEWRRSA-N 2 0 279.428 1.369 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001230377884 942614563 /nfs/dbraw/zinc/61/45/63/942614563.db2.gz BSABSQHCRARARX-INIZCTEOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001263109558 943750759 /nfs/dbraw/zinc/75/07/59/943750759.db2.gz AOPQFBIJQSAENX-KFWWJZLASA-N 2 0 279.428 1.518 20 30 CDEDRP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](CCCC[NH3+])C2 ZINC001235468082 944165338 /nfs/dbraw/zinc/16/53/38/944165338.db2.gz TWVAMLTVHVVVHY-INIZCTEOSA-N 2 0 279.428 1.758 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001265319834 944340861 /nfs/dbraw/zinc/34/08/61/944340861.db2.gz SJAKQKFHKZRVRG-MRXNPFEDSA-N 2 0 291.439 1.466 20 30 CDEDRP CCCCCCCCNC(=O)N(CC[NH3+])CC[NH3+] ZINC001239288344 945397079 /nfs/dbraw/zinc/39/70/79/945397079.db2.gz OZFOZXHHLWFLDB-UHFFFAOYSA-N 2 0 258.410 1.276 20 30 CDEDRP N#Cc1cc(-c2cc(C[NH3+])ncn2)cc(C2C[NH2+]C2)c1 ZINC001240337246 945792832 /nfs/dbraw/zinc/79/28/32/945792832.db2.gz CYMBRZOXZAGQNL-UHFFFAOYSA-N 2 0 265.320 1.161 20 30 CDEDRP C[NH+]1CCN(C2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC001254664293 947581757 /nfs/dbraw/zinc/58/17/57/947581757.db2.gz HBFUMXNUIDMJKG-HOCLYGCPSA-N 2 0 276.428 1.390 20 30 CDEDRP CC[C@H](CC#N)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001255178477 947768309 /nfs/dbraw/zinc/76/83/09/947768309.db2.gz GWONZDNSMGTCFN-MRXNPFEDSA-N 2 0 278.444 1.638 20 30 CDEDRP CC1(C#N)CCC([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CC1 ZINC001246088561 947937221 /nfs/dbraw/zinc/93/72/21/947937221.db2.gz LDKPQCLHXLBVSS-GNRIBBGQSA-N 2 0 269.364 1.111 20 30 CDEDRP C[NH+]1CCC(C#N)(NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001256566615 948346132 /nfs/dbraw/zinc/34/61/32/948346132.db2.gz MXYRIZYPOWRRFP-UHFFFAOYSA-N 2 0 278.444 1.827 20 30 CDEDRP C=CCOC1CCC([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246638314 948375305 /nfs/dbraw/zinc/37/53/05/948375305.db2.gz RWMJTVUHAQLDHO-UYSNPLJNSA-N 2 0 279.428 1.138 20 30 CDEDRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](C[NH2+]C2CCC(C#N)CC2)O1 ZINC001256958580 948463892 /nfs/dbraw/zinc/46/38/92/948463892.db2.gz IKZHSOODAQCIKJ-ODGNXRKOSA-N 2 0 281.400 1.383 20 30 CDEDRP C#CCOC[C@H](O)C[N@@H+](C)C1CC[NH+](CCCC)CC1 ZINC001251857975 950881198 /nfs/dbraw/zinc/88/11/98/950881198.db2.gz OMUCHWLUQXEQLT-MRXNPFEDSA-N 2 0 282.428 1.193 20 30 CDEDRP C=C[C@](C)(O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001252558361 951453027 /nfs/dbraw/zinc/45/30/27/951453027.db2.gz USXSCGPJLXHDJH-HNNXBMFYSA-N 2 0 252.402 1.874 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001366350246 956762281 /nfs/dbraw/zinc/76/22/81/956762281.db2.gz ZDHHYDPLLSPGRA-RYUDHWBXSA-N 2 0 275.824 1.419 20 30 CDEDRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001335395422 959771507 /nfs/dbraw/zinc/77/15/07/959771507.db2.gz VGRRRYMUIOBEPO-CHWSQXEVSA-N 2 0 253.390 1.219 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001340311611 962884245 /nfs/dbraw/zinc/88/42/45/962884245.db2.gz KXBVAOZUAFBLEA-ILXRZTDVSA-N 2 0 281.444 1.885 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001340719136 963090304 /nfs/dbraw/zinc/09/03/04/963090304.db2.gz KYCQQQABUFLMFN-QWHCGFSZSA-N 2 0 267.417 1.659 20 30 CDEDRP C#CC[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC001357126737 969537319 /nfs/dbraw/zinc/53/73/19/969537319.db2.gz CANKWXQICRLXJD-UHFFFAOYSA-N 2 0 299.418 1.252 20 30 CDEDRP CC#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132153506 1163183696 /nfs/dbraw/zinc/18/36/96/1163183696.db2.gz RDKHFPHYYSOJAV-GJZGRUSLSA-N 2 0 293.455 1.709 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132265387 1163218135 /nfs/dbraw/zinc/21/81/35/1163218135.db2.gz MFCCKMUSYFLUBV-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[C@]1(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)CCC[NH2+]1 ZINC001574515849 1170989644 /nfs/dbraw/zinc/98/96/44/1170989644.db2.gz AIHCSJIGIPWDFH-JJRVBVJISA-N 2 0 289.423 1.121 20 30 CDEDRP N#Cc1ccc(N2CCC([NH2+]CCNC3CC3)CC2)cc1 ZINC000591577328 342637687 /nfs/dbraw/zinc/63/76/87/342637687.db2.gz QRBOQUWIXUOTPB-UHFFFAOYSA-N 2 0 284.407 1.869 20 30 CDEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000598721763 343884188 /nfs/dbraw/zinc/88/41/88/343884188.db2.gz ZIDJJHNQTFEWLL-TZMCWYRMSA-N 2 0 265.401 1.361 20 30 CDEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602539508 344472309 /nfs/dbraw/zinc/47/23/09/344472309.db2.gz HLTMWBXQUNRWKH-JKSUJKDBSA-N 2 0 280.460 1.789 20 30 CDEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)cc1 ZINC000106485239 186120276 /nfs/dbraw/zinc/12/02/76/186120276.db2.gz JKINLMGYXSGXPE-CQSZACIVSA-N 2 0 272.396 1.284 20 30 CDEDRP N#C[C@@H]1CCC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000333761568 283057110 /nfs/dbraw/zinc/05/71/10/283057110.db2.gz AMZSNTRBPRNYHA-GYXIZQIFSA-N 2 0 290.455 1.875 20 30 CDEDRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000298097537 200332648 /nfs/dbraw/zinc/33/26/48/200332648.db2.gz SGMFSXAIQABYQI-UHFFFAOYSA-N 2 0 290.386 1.424 20 30 CDEDRP CN(C)C(=[NH2+])NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000170910620 365161191 /nfs/dbraw/zinc/16/11/91/365161191.db2.gz NTQTYRUOCQVMDZ-UHFFFAOYSA-N 2 0 274.412 1.775 20 30 CDEDRP C=C(CC)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000358504320 367733437 /nfs/dbraw/zinc/73/34/37/367733437.db2.gz FRPVDAXBPIUUCA-OAHLLOKOSA-N 2 0 251.418 1.664 20 30 CDEDRP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000361458868 368830001 /nfs/dbraw/zinc/83/00/01/368830001.db2.gz IRLGLDJMLXIJMH-HRCADAONSA-N 2 0 279.428 1.751 20 30 CDEDRP C=CCNC(=O)CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000075860053 369470776 /nfs/dbraw/zinc/47/07/76/369470776.db2.gz NQMTWSFXSJPFCY-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C#N)s1 ZINC000289490087 197372239 /nfs/dbraw/zinc/37/22/39/197372239.db2.gz RONNMGFFHJXKHE-UHFFFAOYSA-N 2 0 292.452 1.689 20 30 CDEDRP CC#CC[NH+]1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000130244563 375272481 /nfs/dbraw/zinc/27/24/81/375272481.db2.gz KIRBNDZCHVDWEZ-UHFFFAOYSA-N 2 0 293.455 1.570 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CCn3cncc3C2)CC1 ZINC000291135370 378451252 /nfs/dbraw/zinc/45/12/52/378451252.db2.gz YXVMYXKHLHUADM-UHFFFAOYSA-N 2 0 289.383 1.059 20 30 CDEDRP CCON=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000108351956 390607580 /nfs/dbraw/zinc/60/75/80/390607580.db2.gz IWCQSXVFFAFVAO-UHFFFAOYSA-N 2 0 290.411 1.503 20 30 CDEDRP C=CCC[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000349339146 391546303 /nfs/dbraw/zinc/54/63/03/391546303.db2.gz BQZLGBPZJOSGOU-LSDHHAIUSA-N 2 0 253.434 1.957 20 30 CDEDRP CC[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N(C)Cc1ccon1 ZINC000261743849 391690150 /nfs/dbraw/zinc/69/01/50/391690150.db2.gz KYIPMJGQIQJMIR-CYBMUJFWSA-N 2 0 279.388 1.166 20 30 CDEDRP C[C@@H]1C[NH+]=C(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)N1 ZINC000262687713 391812902 /nfs/dbraw/zinc/81/29/02/391812902.db2.gz YZGHDAPZSFCULE-ZBFHGGJFSA-N 2 0 286.423 1.488 20 30 CDEDRP CC[NH+](CC)Cc1ccc(CNC2=[NH+]C[C@H](C)N2)cc1 ZINC000262688646 391813700 /nfs/dbraw/zinc/81/37/00/391813700.db2.gz ZLQDFXASECQIMK-ZDUSSCGKSA-N 2 0 274.412 1.966 20 30 CDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C[NH2+]CC1CC1)C(C)C ZINC000269239707 132140474 /nfs/dbraw/zinc/14/04/74/132140474.db2.gz QGYOPIINRQMQNL-INIZCTEOSA-N 2 0 293.455 1.801 20 30 CDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660741404 413428335 /nfs/dbraw/zinc/42/83/35/413428335.db2.gz RBOZGYWFDGSPTP-MCIONIFRSA-N 2 0 256.390 1.011 20 30 CDEDRP CN(C)C(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190536568 262183883 /nfs/dbraw/zinc/18/38/83/262183883.db2.gz MWPIVIZNHCXDOU-OAHLLOKOSA-N 2 0 290.411 1.154 20 30 CDEDRP CN1CC[NH+]=C1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000262686760 262783656 /nfs/dbraw/zinc/78/36/56/262783656.db2.gz YPSMHILLMZKEIE-UHFFFAOYSA-N 2 0 273.384 1.189 20 30 CDEDRP C[NH+]=C(NC[C@H](C)[N@H+](C)C1CC1)N1CCSC(C)(C)C1 ZINC000126865848 264229558 /nfs/dbraw/zinc/22/95/58/264229558.db2.gz YGOVJDULXJXAIA-LBPRGKRZSA-N 2 0 298.500 1.872 20 30 CDEDRP C=CC[C@]1(C(=O)NCC[N@@H+](C)[C@@H](C)CC)CCC[NH2+]1 ZINC000662713762 424364658 /nfs/dbraw/zinc/36/46/58/424364658.db2.gz YLFWMDSRAIZSHQ-DZGCQCFKSA-N 2 0 267.417 1.531 20 30 CDEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000333562040 303160665 /nfs/dbraw/zinc/16/06/65/303160665.db2.gz LCTLRSRZJIOKLK-QKGCVVFFSA-N 2 0 263.385 1.425 20 30 CDEDRP Cc1ccc(NC(=[NH2+])NC[C@H]2C[N@@H+](C)CCN2C)cc1C ZINC000267395236 328177921 /nfs/dbraw/zinc/17/79/21/328177921.db2.gz DXKCINRIRXZDRW-HNNXBMFYSA-N 2 0 289.427 1.276 20 30 CDEDRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185774154 329331456 /nfs/dbraw/zinc/33/14/56/329331456.db2.gz DSIWWDXYDAXGTQ-HOCLYGCPSA-N 2 0 278.444 1.684 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[C@@H]1C ZINC000262195402 330001737 /nfs/dbraw/zinc/00/17/37/330001737.db2.gz RNIXKPJIVPIBJO-MELADBBJSA-N 2 0 266.433 1.811 20 30 CDEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=[NH2+])N2CCC[C@H](C)C2)C1 ZINC000262295618 330004918 /nfs/dbraw/zinc/00/49/18/330004918.db2.gz NJFSZHPMQCBQOR-LSDHHAIUSA-N 2 0 296.459 1.390 20 30 CDEDRP C[NH+]=C(NC1CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262496254 330017690 /nfs/dbraw/zinc/01/76/90/330017690.db2.gz WNFAYUQAFUMOLY-ZDUSSCGKSA-N 2 0 250.390 1.284 20 30 CDEDRP C#CCNC(NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)=[NH+]CC ZINC000262636247 330023689 /nfs/dbraw/zinc/02/36/89/330023689.db2.gz ZXWTVNZULQLCQH-KBPBESRZSA-N 2 0 264.417 1.438 20 30 CDEDRP C[NH+]=C(NCC1(O)CCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262814725 330033735 /nfs/dbraw/zinc/03/37/35/330033735.db2.gz WKVRFKWEJNXUIC-AWEZNQCLSA-N 2 0 294.443 1.037 20 30 CDEDRP C=C(C)CN1CCC([NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422979617 330162597 /nfs/dbraw/zinc/16/25/97/330162597.db2.gz NFTJTQNCMRPWHQ-DZGCQCFKSA-N 2 0 251.418 1.744 20 30 CDEDRP C=CCC[C@H](CO)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423149068 330172768 /nfs/dbraw/zinc/17/27/68/330172768.db2.gz AGTDLDWSOQXFGY-TZMCWYRMSA-N 2 0 263.385 1.826 20 30 CDEDRP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)c1cccs1 ZINC000424139609 330279832 /nfs/dbraw/zinc/27/98/32/330279832.db2.gz RLXQYMJVYRSZBC-VXGBXAGGSA-N 2 0 294.424 1.488 20 30 CDEDRP CCCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424151691 330297132 /nfs/dbraw/zinc/29/71/32/330297132.db2.gz HOKGOMKVBHNNBI-AWEZNQCLSA-N 2 0 280.416 1.388 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000491619640 332245756 /nfs/dbraw/zinc/24/57/56/332245756.db2.gz CCJXIHURFYXHJL-AWEZNQCLSA-N 2 0 296.459 1.217 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N(CC)CCC[NH+](C)C)CC1 ZINC000189405127 333192275 /nfs/dbraw/zinc/19/22/75/333192275.db2.gz RYAAMRMDUANJRE-UHFFFAOYSA-N 2 0 296.459 1.620 20 30 CDEDRP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001755560415 1160219157 /nfs/dbraw/zinc/21/91/57/1160219157.db2.gz WHGZZQOSESPGOJ-OAHLLOKOSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCN1CCC([NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000675828620 483373467 /nfs/dbraw/zinc/37/34/67/483373467.db2.gz VOOVYMPPSHZWIU-AWEZNQCLSA-N 2 0 265.445 1.957 20 30 CDEDRP COc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1C#N ZINC000261571429 536772820 /nfs/dbraw/zinc/77/28/20/536772820.db2.gz RAYKYRQRITWGTN-FZMZJTMJSA-N 2 0 259.353 1.736 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001690103800 1175377254 /nfs/dbraw/zinc/37/72/54/1175377254.db2.gz VQCDMURXOQMAKC-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC000964034504 612954699 /nfs/dbraw/zinc/95/46/99/612954699.db2.gz FUTMQOXKDYJGLQ-UKEPKTAJSA-N 2 0 289.423 1.121 20 30 CDEDRP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000981413385 612957324 /nfs/dbraw/zinc/95/73/24/612957324.db2.gz CSGCZINGVBQQDJ-HZPDHXFCSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000981367908 612971826 /nfs/dbraw/zinc/97/18/26/612971826.db2.gz PKAYHDVEZVREGA-JKSUJKDBSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000980475978 613084202 /nfs/dbraw/zinc/08/42/02/613084202.db2.gz LXRMUBPDUYMFTD-HUUCEWRRSA-N 2 0 277.412 1.027 20 30 CDEDRP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000981958670 613253637 /nfs/dbraw/zinc/25/36/37/613253637.db2.gz HWGKBBRYFKLCCL-HZPDHXFCSA-N 2 0 293.455 1.685 20 30 CDEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000961783560 613279481 /nfs/dbraw/zinc/27/94/81/613279481.db2.gz AQPZIONQZAOFCA-AIANPOQGSA-N 2 0 291.439 1.341 20 30 CDEDRP C#CC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974976455 613299147 /nfs/dbraw/zinc/29/91/47/613299147.db2.gz VPXQOJKULMZPRT-KKUMJFAQSA-N 2 0 291.439 1.177 20 30 CDEDRP C=C(C)C[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977600550 613341769 /nfs/dbraw/zinc/34/17/69/613341769.db2.gz NXZJKXMBJPYHNJ-KBPBESRZSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000965912737 613347045 /nfs/dbraw/zinc/34/70/45/613347045.db2.gz RFQUSKSMRCPXNP-DPGVGJJJSA-N 2 0 291.439 1.531 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970479580 613384718 /nfs/dbraw/zinc/38/47/18/613384718.db2.gz WQCIXUBCYYDNHD-QWHCGFSZSA-N 2 0 285.819 1.271 20 30 CDEDRP C=CCC[NH+]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000948858626 613503060 /nfs/dbraw/zinc/50/30/60/613503060.db2.gz MQEJULXMRVHLRP-OAHLLOKOSA-N 2 0 279.428 1.581 20 30 CDEDRP C=CCN1CC(N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000950501162 613654423 /nfs/dbraw/zinc/65/44/23/613654423.db2.gz REYSXGCEBLCCDY-OAHLLOKOSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942517724 613753446 /nfs/dbraw/zinc/75/34/46/613753446.db2.gz FEHQPEAVHSANQV-CZUORRHYSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000969674168 613864738 /nfs/dbraw/zinc/86/47/38/613864738.db2.gz GFMCLEHGVHOKAZ-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)CC(C)(C)C#N ZINC000926202382 617512149 /nfs/dbraw/zinc/51/21/49/617512149.db2.gz KPBYFXMVQIMGRN-HUUCEWRRSA-N 2 0 280.460 1.930 20 30 CDEDRP CN1CCN(N=C2CCOC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000787145461 621531784 /nfs/dbraw/zinc/53/17/84/621531784.db2.gz RFEJAXWDECUSFB-HNNXBMFYSA-N 2 0 294.443 1.112 20 30 CDEDRP C=CC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C)COC ZINC000903766889 626084795 /nfs/dbraw/zinc/08/47/95/626084795.db2.gz CMTDRLDASDDDKC-HUUCEWRRSA-N 2 0 282.428 1.668 20 30 CDEDRP N#CC1(c2ccccc2)CCC([NH2+]CCOCC[NH3+])CC1 ZINC001170361669 1162341391 /nfs/dbraw/zinc/34/13/91/1162341391.db2.gz AHKWWQQHRTVSGP-UHFFFAOYSA-N 2 0 287.407 1.955 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130300362 1162596801 /nfs/dbraw/zinc/59/68/01/1162596801.db2.gz NEGVNYQCPDANGN-HNNXBMFYSA-N 2 0 281.444 1.923 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158037781 1162698995 /nfs/dbraw/zinc/69/89/95/1162698995.db2.gz LCUDSMNOAWXEHY-LSDHHAIUSA-N 2 0 279.428 1.533 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132093851 1163168321 /nfs/dbraw/zinc/16/83/21/1163168321.db2.gz DNOXLVCIQBAZCD-KGLIPLIRSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(C)(C)C[NH+](C)C ZINC001272870256 1161425218 /nfs/dbraw/zinc/42/52/18/1161425218.db2.gz MBHPIXRXSASGKD-HUUCEWRRSA-N 2 0 293.455 1.826 20 30 CDEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001713868726 1178804032 /nfs/dbraw/zinc/80/40/32/1178804032.db2.gz PBYGRLJVUDKUJQ-GJZGRUSLSA-N 2 0 279.428 1.080 20 30 CDEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001731384208 1182347464 /nfs/dbraw/zinc/34/74/64/1182347464.db2.gz CCDKUJNHWNATBC-UONOGXRCSA-N 2 0 279.428 1.483 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001731670711 1182512697 /nfs/dbraw/zinc/51/26/97/1182512697.db2.gz FCUCVWXNTOXOJF-KGLIPLIRSA-N 2 0 267.417 1.341 20 30 CDEDRP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001732076471 1182753788 /nfs/dbraw/zinc/75/37/88/1182753788.db2.gz ORTFSXODTARUPG-HOTGVXAUSA-N 2 0 293.455 1.663 20 30 CDEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001752155592 1184826117 /nfs/dbraw/zinc/82/61/17/1184826117.db2.gz FQRDKRGWGNTXAX-GJZGRUSLSA-N 2 0 279.428 1.321 20 30 CDEDRP CC#CC[N@H+](CC)CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001752229977 1184839638 /nfs/dbraw/zinc/83/96/38/1184839638.db2.gz QGPZSYWUMADZBU-MRXNPFEDSA-N 2 0 293.455 1.712 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001753407676 1185190301 /nfs/dbraw/zinc/19/03/01/1185190301.db2.gz SGCPYIAVGONEHA-UHFFFAOYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001753729362 1185319398 /nfs/dbraw/zinc/31/93/98/1185319398.db2.gz RHISOCNLHYMOCG-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)CCC ZINC001753897593 1185386038 /nfs/dbraw/zinc/38/60/38/1185386038.db2.gz LTRMSSZQDXDRFV-KBPBESRZSA-N 2 0 267.417 1.389 20 30 CDEDRP C#CC[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001754010212 1185425442 /nfs/dbraw/zinc/42/54/42/1185425442.db2.gz VADYVRXZTBAWPI-CQSZACIVSA-N 2 0 279.428 1.224 20 30 CDEDRP C=CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001754126628 1185476570 /nfs/dbraw/zinc/47/65/70/1185476570.db2.gz GXWAPKLBXQQPNG-GXMNPTEKSA-N 2 0 265.401 1.309 20 30 CDEDRP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001754294003 1185555276 /nfs/dbraw/zinc/55/52/76/1185555276.db2.gz RHTQXNVXZFRCDN-ZFWWWQNUSA-N 2 0 265.401 1.143 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CC ZINC001754468989 1185629210 /nfs/dbraw/zinc/62/92/10/1185629210.db2.gz BYDFIDFXJURWPY-HUUCEWRRSA-N 2 0 279.428 1.178 20 30 CDEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001754515611 1185654200 /nfs/dbraw/zinc/65/42/00/1185654200.db2.gz VHYKXVYCVHNJQZ-ZIAGYGMSSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CC=C)CC1 ZINC001754622132 1185687106 /nfs/dbraw/zinc/68/71/06/1185687106.db2.gz GSWDIVAYZJTOPG-INIZCTEOSA-N 2 0 289.423 1.098 20 30 CDEDRP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001755241790 1185872300 /nfs/dbraw/zinc/87/23/00/1185872300.db2.gz HVCAJDAKGSSFPG-QWHCGFSZSA-N 2 0 298.390 1.762 20 30 CDEDRP C=CC[NH2+][C@@H](CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001755348892 1185925052 /nfs/dbraw/zinc/92/50/52/1185925052.db2.gz KULMVMVMSRAPPE-CVEARBPZSA-N 2 0 295.471 1.977 20 30 CDEDRP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001755505715 1185974159 /nfs/dbraw/zinc/97/41/59/1185974159.db2.gz MMCWFNGKNLXWQK-CVEARBPZSA-N 2 0 293.455 1.615 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001755690638 1186038294 /nfs/dbraw/zinc/03/82/94/1186038294.db2.gz PMBHQZIWWVNLRA-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000261989455 837694793 /nfs/dbraw/zinc/69/47/93/837694793.db2.gz LGLMJPDUUYGPGV-QWHCGFSZSA-N 2 0 252.406 1.587 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000996999085 835771810 /nfs/dbraw/zinc/77/18/10/835771810.db2.gz LZQZCEPWDHLTRF-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035851920 835804482 /nfs/dbraw/zinc/80/44/82/835804482.db2.gz NSXKUSPTHZIUSX-OAHLLOKOSA-N 2 0 291.439 1.439 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCCCCC1 ZINC000305041100 835810206 /nfs/dbraw/zinc/81/02/06/835810206.db2.gz CVJROFMGTSYEQE-CYBMUJFWSA-N 2 0 252.406 1.661 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000928655816 835944885 /nfs/dbraw/zinc/94/48/85/835944885.db2.gz ZMWUBDUBNAPFKX-OAHLLOKOSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cn2cncc2C)[C@@H]1C ZINC000986564506 836106284 /nfs/dbraw/zinc/10/62/84/836106284.db2.gz DWFYCNZMKZMIDI-OLZOCXBDSA-N 2 0 296.802 1.523 20 30 CDEDRP CCOCCCNC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000303885510 836300282 /nfs/dbraw/zinc/30/02/82/836300282.db2.gz NFWLJVDCOSXNCU-AWEZNQCLSA-N 2 0 298.475 1.828 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000104168633 836311081 /nfs/dbraw/zinc/31/10/81/836311081.db2.gz GZXZQKKMFWQGTJ-KBPBESRZSA-N 2 0 266.433 1.835 20 30 CDEDRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=[NH2+])N2CCSCC2)C1 ZINC000303874214 836333581 /nfs/dbraw/zinc/33/35/81/836333581.db2.gz CXCUTJXTBFXRPO-KBPBESRZSA-N 2 0 298.500 1.718 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001000914852 836364278 /nfs/dbraw/zinc/36/42/78/836364278.db2.gz BQDKHJUTRUTTSF-OLZOCXBDSA-N 2 0 285.819 1.271 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000996523136 836536787 /nfs/dbraw/zinc/53/67/87/836536787.db2.gz HZFNQTAHKDMCPL-UHFFFAOYSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024447379 836705695 /nfs/dbraw/zinc/70/56/95/836705695.db2.gz VKRGOKXMJAKDFJ-BZUAXINKSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001038270112 836706165 /nfs/dbraw/zinc/70/61/65/836706165.db2.gz SAJCVKQWNKOJMR-CVEARBPZSA-N 2 0 291.439 1.485 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC=C)C2)CC1 ZINC001033687350 836801435 /nfs/dbraw/zinc/80/14/35/836801435.db2.gz FGMWYXNEKUUUFB-INIZCTEOSA-N 2 0 289.423 1.050 20 30 CDEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000303774517 836873748 /nfs/dbraw/zinc/87/37/48/836873748.db2.gz FYZJSQDXCUGIMX-CQSZACIVSA-N 2 0 282.432 1.048 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015499152 836992863 /nfs/dbraw/zinc/99/28/63/836992863.db2.gz ODEZCCRELRYQHW-AWEZNQCLSA-N 2 0 279.428 1.627 20 30 CDEDRP CC[C@@H]1CN(C(NCC[NH2+]C(C)(C)C)=[NH+]C)CCS1 ZINC000261794388 837029176 /nfs/dbraw/zinc/02/91/76/837029176.db2.gz GKFWTRYBRHSKMI-GFCCVEGCSA-N 2 0 286.489 1.777 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(=C)C ZINC001027940370 837120474 /nfs/dbraw/zinc/12/04/74/837120474.db2.gz LDMIQQPYGQOZBU-HOTGVXAUSA-N 2 0 289.423 1.241 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015391722 837348747 /nfs/dbraw/zinc/34/87/47/837348747.db2.gz KCCZQBVCBXCIQP-HOTGVXAUSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049480850 837863010 /nfs/dbraw/zinc/86/30/10/837863010.db2.gz GTLXNGCQCUJXOU-FPCVCCKLSA-N 2 0 291.439 1.578 20 30 CDEDRP CC#CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001014623262 837875139 /nfs/dbraw/zinc/87/51/39/837875139.db2.gz BJQBMMXBURCLQE-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP CC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000303262705 838054304 /nfs/dbraw/zinc/05/43/04/838054304.db2.gz QAYSKRCSGXTUKQ-CHWSQXEVSA-N 2 0 254.422 1.810 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015796935 838210541 /nfs/dbraw/zinc/21/05/41/838210541.db2.gz UAVHHEMGQSYEJL-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001028759652 838772451 /nfs/dbraw/zinc/77/24/51/838772451.db2.gz ZJWNEYMVOUFUAL-HOTGVXAUSA-N 2 0 293.455 1.733 20 30 CDEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001005994318 838793918 /nfs/dbraw/zinc/79/39/18/838793918.db2.gz BZRWFBZQDIDXSH-GOEBONIOSA-N 2 0 293.455 1.683 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001020508242 838797911 /nfs/dbraw/zinc/79/79/11/838797911.db2.gz QDLGCWGTPSNXRX-XUXIUFHCSA-N 2 0 265.401 1.140 20 30 CDEDRP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033473782 838812169 /nfs/dbraw/zinc/81/21/69/838812169.db2.gz IJFNQFPYJVNMNR-JKSUJKDBSA-N 2 0 293.455 1.968 20 30 CDEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996981465 838821143 /nfs/dbraw/zinc/82/11/43/838821143.db2.gz VRNYRDKNBFSVEQ-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C1 ZINC001048864614 838822932 /nfs/dbraw/zinc/82/29/32/838822932.db2.gz LFJIFPDNDCZILV-GASCZTMLSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001071646152 838884153 /nfs/dbraw/zinc/88/41/53/838884153.db2.gz SMSXTFMMMIWMPU-GJZGRUSLSA-N 2 0 291.439 1.770 20 30 CDEDRP C=CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H]1CCCO1 ZINC000883176050 838984038 /nfs/dbraw/zinc/98/40/38/838984038.db2.gz UTVKVIMTFAEMBN-HRCADAONSA-N 2 0 282.428 1.547 20 30 CDEDRP CC(C)[N@@H+]1CCC[C@H](C[NH+]=C(N(C)C)N(C)C)C1 ZINC000261999220 839077802 /nfs/dbraw/zinc/07/78/02/839077802.db2.gz OYEMHUSGNMPZLK-CYBMUJFWSA-N 2 0 254.422 1.586 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCc2ccccc21 ZINC000103903372 839163285 /nfs/dbraw/zinc/16/32/85/839163285.db2.gz MFOMZOKNCAYAEJ-ZDUSSCGKSA-N 2 0 272.396 1.576 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000993930496 839201171 /nfs/dbraw/zinc/20/11/71/839201171.db2.gz QHWGHXQSWFYFPX-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001035851772 839201438 /nfs/dbraw/zinc/20/14/38/839201438.db2.gz WRDUPIALJJWNDW-UHFFFAOYSA-N 2 0 291.439 1.583 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015596739 839245324 /nfs/dbraw/zinc/24/53/24/839245324.db2.gz GJKKYBBYLQIIPS-GJZGRUSLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555916 839316165 /nfs/dbraw/zinc/31/61/65/839316165.db2.gz UHAXRLWWBZSMMS-MRXNPFEDSA-N 2 0 293.455 1.827 20 30 CDEDRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)CC3(C#N)CCC3)C2)C1 ZINC000886215834 839333532 /nfs/dbraw/zinc/33/35/32/839333532.db2.gz RYSSJUOJFUFXQB-GOEBONIOSA-N 2 0 277.412 1.459 20 30 CDEDRP C#CC[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000092492180 839387607 /nfs/dbraw/zinc/38/76/07/839387607.db2.gz AMGGBIQEOSAVLQ-MRXNPFEDSA-N 2 0 287.407 1.409 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CCn2ccnc2)C1 ZINC001027514129 839719732 /nfs/dbraw/zinc/71/97/32/839719732.db2.gz CMUZFPBFUMJBMA-AWEZNQCLSA-N 2 0 276.384 1.382 20 30 CDEDRP C=CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@@H]21 ZINC001036736769 839823004 /nfs/dbraw/zinc/82/30/04/839823004.db2.gz GOVDOKKXZKTRLW-HOCLYGCPSA-N 2 0 291.439 1.580 20 30 CDEDRP C[C@H](CNC(=[NH2+])N(C)C1CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000305807912 839894527 /nfs/dbraw/zinc/89/45/27/839894527.db2.gz HJSIEGRVWZAYIO-VXGBXAGGSA-N 2 0 252.406 1.516 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000999488595 839989559 /nfs/dbraw/zinc/98/95/59/839989559.db2.gz GONBOXMRTBILNA-HNNXBMFYSA-N 2 0 289.423 1.076 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001028537084 840034287 /nfs/dbraw/zinc/03/42/87/840034287.db2.gz HARUORFMJKFDMC-HOTGVXAUSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001072916615 840120853 /nfs/dbraw/zinc/12/08/53/840120853.db2.gz QEBIDGXNSKSJCJ-GJZGRUSLSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033386171 840433873 /nfs/dbraw/zinc/43/38/73/840433873.db2.gz AQZQKSATYGEOJV-CQSZACIVSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]cn2)CC1 ZINC001052749821 840519849 /nfs/dbraw/zinc/51/98/49/840519849.db2.gz CHQZLUXMMPZDMN-ZDUSSCGKSA-N 2 0 276.384 1.499 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)Cc2cncn2C)CC1 ZINC001052864903 840785300 /nfs/dbraw/zinc/78/53/00/840785300.db2.gz AEIMFQJNHMEQOE-CQSZACIVSA-N 2 0 290.411 1.509 20 30 CDEDRP CN(C[C@H](O)CC#N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000809574215 840871970 /nfs/dbraw/zinc/87/19/70/840871970.db2.gz GSDNAKUOKKAAQP-IAGOWNOFSA-N 2 0 287.407 1.715 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015497608 840966191 /nfs/dbraw/zinc/96/61/91/840966191.db2.gz FTRWELQRLCGFFE-AWEZNQCLSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001042358164 840978665 /nfs/dbraw/zinc/97/86/65/840978665.db2.gz NZRDNDMBIMWRDO-HZPDHXFCSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCC)C1 ZINC001027448428 841052834 /nfs/dbraw/zinc/05/28/34/841052834.db2.gz VAYGTPMHLLEUSO-CVEARBPZSA-N 2 0 291.439 1.417 20 30 CDEDRP CCCCCCNC(=[NH2+])NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000303769115 841250275 /nfs/dbraw/zinc/25/02/75/841250275.db2.gz AUTDYJPSIILFAA-GJZGRUSLSA-N 2 0 298.475 1.970 20 30 CDEDRP CC(C)NC(=[NH2+])NC[C@H](C1CCCCC1)[NH+](C)C ZINC000303906022 841288002 /nfs/dbraw/zinc/28/80/02/841288002.db2.gz VTRLADOPJICUMB-CYBMUJFWSA-N 2 0 254.422 1.810 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996518708 841395636 /nfs/dbraw/zinc/39/56/36/841395636.db2.gz GKKRNSIGTXOMJV-AWEZNQCLSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000989636402 841527466 /nfs/dbraw/zinc/52/74/66/841527466.db2.gz WRFLNVQJWSONDD-HOCLYGCPSA-N 2 0 293.455 1.872 20 30 CDEDRP CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001032413353 841581489 /nfs/dbraw/zinc/58/14/89/841581489.db2.gz GGIDACNQKBCAQQ-YHUYYLMFSA-N 2 0 289.423 1.025 20 30 CDEDRP C#CCC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001034398977 841640862 /nfs/dbraw/zinc/64/08/62/841640862.db2.gz QBQZKGCKNNNBIH-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000304989634 841678153 /nfs/dbraw/zinc/67/81/53/841678153.db2.gz COIZGJODNASBBS-OLZOCXBDSA-N 2 0 254.422 1.667 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071795554 841800819 /nfs/dbraw/zinc/80/08/19/841800819.db2.gz LGBGNVUFBSIPES-ZBFHGGJFSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCNC(=[NH2+])NCCCC[N@H+]1CCCC[C@@H]1C ZINC000848989139 841812050 /nfs/dbraw/zinc/81/20/50/841812050.db2.gz AKFRBRIMRQCMHX-ZDUSSCGKSA-N 2 0 252.406 1.941 20 30 CDEDRP CCC(CC)[C@H](CNC(=[NH2+])N[C@H](C)COC)[NH+]1CCCC1 ZINC000303776656 841835446 /nfs/dbraw/zinc/83/54/46/841835446.db2.gz HYIMGGBZSULSLE-HIFRSBDPSA-N 2 0 298.475 1.826 20 30 CDEDRP C#CCNC(=O)CC[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC000886717927 841859879 /nfs/dbraw/zinc/85/98/79/841859879.db2.gz LYNMFSFZRRRJJV-UHFFFAOYSA-N 2 0 277.412 1.076 20 30 CDEDRP C=CC[N@H+]1CC=C(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001112563 841877844 /nfs/dbraw/zinc/87/78/44/841877844.db2.gz IYWNMBSZILAPMI-UHFFFAOYSA-N 2 0 277.412 1.263 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000856416516 841927162 /nfs/dbraw/zinc/92/71/62/841927162.db2.gz SRZDNUVJVPPVEE-UHFFFAOYSA-N 2 0 279.428 1.342 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046777002 841972272 /nfs/dbraw/zinc/97/22/72/841972272.db2.gz OQZCHIWFIWZKGP-HNNXBMFYSA-N 2 0 277.412 1.239 20 30 CDEDRP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886010433 841975591 /nfs/dbraw/zinc/97/55/91/841975591.db2.gz JDRCSSRGTVAPAO-KGLIPLIRSA-N 2 0 265.401 1.315 20 30 CDEDRP C[C@H]1CCCN(C(=[NH2+])NC[C@H](C2CC2)[NH+](C)C)C1 ZINC000303874768 842332584 /nfs/dbraw/zinc/33/25/84/842332584.db2.gz HIBJVKGQLLUQSA-WCQYABFASA-N 2 0 252.406 1.373 20 30 CDEDRP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000985441987 842358849 /nfs/dbraw/zinc/35/88/49/842358849.db2.gz NWQWWKJCFPOIIH-UKRRQHHQSA-N 2 0 279.428 1.435 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001000005697 842363703 /nfs/dbraw/zinc/36/37/03/842363703.db2.gz JTURPXZJMLOGMH-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP C[C@@H](C#N)CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849003922 842397682 /nfs/dbraw/zinc/39/76/82/842397682.db2.gz OIHISGJZHZHNFT-AWEZNQCLSA-N 2 0 299.422 1.925 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001825164 842856468 /nfs/dbraw/zinc/85/64/68/842856468.db2.gz JJMPOPFRJVFACD-HOCLYGCPSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001088980565 912428767 /nfs/dbraw/zinc/42/87/67/912428767.db2.gz LNQXKHWZVHQIAQ-RDBSUJKOSA-N 2 0 265.401 1.093 20 30 CDEDRP C[NH+]1CCN(CCC[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173589869 912637110 /nfs/dbraw/zinc/63/71/10/912637110.db2.gz NMCVOBKHLRIRCW-UHFFFAOYSA-N 2 0 278.444 1.686 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001175766724 913779013 /nfs/dbraw/zinc/77/90/13/913779013.db2.gz ACAQAJSQNKAXHQ-CQSZACIVSA-N 2 0 267.417 1.226 20 30 CDEDRP C=CC[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127317586 913819271 /nfs/dbraw/zinc/81/92/71/913819271.db2.gz SANNHXCWRNGVPI-UHFFFAOYSA-N 2 0 253.390 1.143 20 30 CDEDRP C#CC[NH2+]CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708591255 897860263 /nfs/dbraw/zinc/86/02/63/897860263.db2.gz PAYDWPKNVPSYGO-WBVHZDCISA-N 2 0 299.418 1.094 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267716742 899360201 /nfs/dbraw/zinc/36/02/01/899360201.db2.gz RZGFZLHBQLIDDZ-HRCADAONSA-N 2 0 293.455 1.824 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176998914 914423276 /nfs/dbraw/zinc/42/32/76/914423276.db2.gz LRWOGEWMHAWOLH-HNNXBMFYSA-N 2 0 281.444 1.779 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001167812279 901033799 /nfs/dbraw/zinc/03/37/99/901033799.db2.gz KNXWIMPJIDZUPR-UHFFFAOYSA-N 2 0 293.455 1.618 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001270058748 904313821 /nfs/dbraw/zinc/31/38/21/904313821.db2.gz LUVHRNHBULBJMO-CABCVRRESA-N 2 0 297.418 1.270 20 30 CDEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168029485 905927854 /nfs/dbraw/zinc/92/78/54/905927854.db2.gz GMNVVJIZNUCQRT-GJZGRUSLSA-N 2 0 277.412 1.123 20 30 CDEDRP C#CC[N@@H+](C)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC000985480642 906700225 /nfs/dbraw/zinc/70/02/25/906700225.db2.gz LKNAVFAWOUNCRE-OAHLLOKOSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001088317996 906886323 /nfs/dbraw/zinc/88/63/23/906886323.db2.gz UQXNKRYIUWABNR-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001003625171 921366185 /nfs/dbraw/zinc/36/61/85/921366185.db2.gz BXROAKBTHNGYPP-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001092736567 909500000 /nfs/dbraw/zinc/50/00/00/909500000.db2.gz VSISUWFYUFXYHI-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093133062 909643329 /nfs/dbraw/zinc/64/33/29/909643329.db2.gz NYKPVVFKIWZKRH-HUUCEWRRSA-N 2 0 291.439 1.342 20 30 CDEDRP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)[C@H](C)C1 ZINC001093225359 909702683 /nfs/dbraw/zinc/70/26/83/909702683.db2.gz KPLYZSAWQKIEMH-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@H]1C ZINC001088857200 911971934 /nfs/dbraw/zinc/97/19/34/911971934.db2.gz FTWBYEMQAAEYQN-MJBXVCDLSA-N 2 0 265.401 1.236 20 30 CDEDRP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203359076 915809743 /nfs/dbraw/zinc/80/97/43/915809743.db2.gz NRZIIEYHICYHIT-KGLIPLIRSA-N 2 0 279.428 1.531 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001179420462 915838139 /nfs/dbraw/zinc/83/81/39/915838139.db2.gz KMCGVVUIARCHBR-STQMWFEESA-N 2 0 299.846 1.660 20 30 CDEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001097853898 936396273 /nfs/dbraw/zinc/39/62/73/936396273.db2.gz QMHLKRRWCMOEDK-FPCVCCKLSA-N 2 0 289.423 1.073 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984039 917627708 /nfs/dbraw/zinc/62/77/08/917627708.db2.gz VLJFXNSXVKVELM-HUUCEWRRSA-N 2 0 279.428 1.342 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182624142 917989220 /nfs/dbraw/zinc/98/92/20/917989220.db2.gz ZVOOZQYJWXRKQF-HUUCEWRRSA-N 2 0 277.412 1.095 20 30 CDEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001183516948 918508050 /nfs/dbraw/zinc/50/80/50/918508050.db2.gz HHNYRCQPCBGRMS-NVXWUHKLSA-N 2 0 293.455 1.424 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576193 918655169 /nfs/dbraw/zinc/65/51/69/918655169.db2.gz APRBERADEWJSMM-LSDHHAIUSA-N 2 0 293.455 1.921 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001184628562 919219369 /nfs/dbraw/zinc/21/93/69/919219369.db2.gz MASRVBLGMRIOOF-CQSZACIVSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001185049095 919380402 /nfs/dbraw/zinc/38/04/02/919380402.db2.gz AHGIXZLPKUOZQC-CABCVRRESA-N 2 0 293.455 1.588 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001185062102 919387289 /nfs/dbraw/zinc/38/72/89/919387289.db2.gz RFSHUTXPJCGQOK-GDBMZVCRSA-N 2 0 293.455 1.588 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001185356946 919544501 /nfs/dbraw/zinc/54/45/01/919544501.db2.gz BDJGQXJVIDOILA-CVEARBPZSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001185514859 919640772 /nfs/dbraw/zinc/64/07/72/919640772.db2.gz BJYKOJAJJUNDFI-JKSUJKDBSA-N 2 0 295.471 1.979 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185650868 919692504 /nfs/dbraw/zinc/69/25/04/919692504.db2.gz PXLSHOIMGPMGJE-HUUCEWRRSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187240815 920424526 /nfs/dbraw/zinc/42/45/26/920424526.db2.gz NBYSHHYYUSISGW-CYBMUJFWSA-N 2 0 253.390 1.095 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001485918695 920575720 /nfs/dbraw/zinc/57/57/20/920575720.db2.gz CLMVMSRXDQZDSQ-UONOGXRCSA-N 2 0 269.433 1.585 20 30 CDEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190666240 922108528 /nfs/dbraw/zinc/10/85/28/922108528.db2.gz KWQZUEKLHVWBRU-CVEARBPZSA-N 2 0 293.455 1.826 20 30 CDEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190744619 922170316 /nfs/dbraw/zinc/17/03/16/922170316.db2.gz SWVOWEHWOFSVFK-HZPDHXFCSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191543505 922627595 /nfs/dbraw/zinc/62/75/95/922627595.db2.gz OPWMZEUKDQXUDW-HNNXBMFYSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192017371 922876432 /nfs/dbraw/zinc/87/64/32/922876432.db2.gz OQQAZHCBLVZARF-CQSZACIVSA-N 2 0 279.428 1.437 20 30 CDEDRP C#CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001192342230 923011643 /nfs/dbraw/zinc/01/16/43/923011643.db2.gz AJGRYOIJQJNADF-HUUCEWRRSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001193027733 923418156 /nfs/dbraw/zinc/41/81/56/923418156.db2.gz RSHBUEKRSVQHMK-INIZCTEOSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001193026819 923418339 /nfs/dbraw/zinc/41/83/39/923418339.db2.gz MHXUPCPGIJJLGV-INIZCTEOSA-N 2 0 293.455 1.827 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC)C[C@H]2C)CC1 ZINC001080992603 924673334 /nfs/dbraw/zinc/67/33/34/924673334.db2.gz RKWKYAUWGVITKG-GDBMZVCRSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001082740767 924990507 /nfs/dbraw/zinc/99/05/07/924990507.db2.gz FYNRHZYIAQUVSI-RBSFLKMASA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCOCC[N@H+]1CCCN(C(=O)C[NH+](CC)CC)CC1 ZINC001197510483 925156209 /nfs/dbraw/zinc/15/62/09/925156209.db2.gz COLNMRUWWSTMMF-UHFFFAOYSA-N 2 0 297.443 1.065 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085074848 925620855 /nfs/dbraw/zinc/62/08/55/925620855.db2.gz FWDSYZWSDIPJMP-OAGGEKHMSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001199787508 925859965 /nfs/dbraw/zinc/85/99/65/925859965.db2.gz AGSYBFJQSSNMDG-AWEZNQCLSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103090558 937121893 /nfs/dbraw/zinc/12/18/93/937121893.db2.gz YGSWAMPRSOCANV-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001490667076 927275314 /nfs/dbraw/zinc/27/53/14/927275314.db2.gz CRADDQXCVYOBGU-ZDUSSCGKSA-N 2 0 299.846 1.708 20 30 CDEDRP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001150619564 937240789 /nfs/dbraw/zinc/24/07/89/937240789.db2.gz ASLNYBGVMOWBPA-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001202495905 928609842 /nfs/dbraw/zinc/60/98/42/928609842.db2.gz KVQKHPWTMXDBLI-AWEZNQCLSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109649797 929000489 /nfs/dbraw/zinc/00/04/89/929000489.db2.gz DZDDEYMMDIKOLA-ILXRZTDVSA-N 2 0 289.423 1.073 20 30 CDEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674577 929006561 /nfs/dbraw/zinc/00/65/61/929006561.db2.gz TUQHAILZHJZUDJ-ILXRZTDVSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134889443 929956421 /nfs/dbraw/zinc/95/64/21/929956421.db2.gz TVIKFRIJGQIISY-QWHCGFSZSA-N 2 0 284.363 1.454 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135372307 930175388 /nfs/dbraw/zinc/17/53/88/930175388.db2.gz QFLAOMJHJANSSH-OLZOCXBDSA-N 2 0 255.406 1.387 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001153678085 937460187 /nfs/dbraw/zinc/46/01/87/937460187.db2.gz WOEBOFRQRCXZCT-CABCVRRESA-N 2 0 299.434 1.516 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153879876 937480106 /nfs/dbraw/zinc/48/01/06/937480106.db2.gz OJEXVUOBHGYVRD-CVEARBPZSA-N 2 0 293.455 1.711 20 30 CDEDRP C=C(C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+])C(F)(F)F ZINC001144215054 931703188 /nfs/dbraw/zinc/70/31/88/931703188.db2.gz GGKAHQSEIUMQKB-UHFFFAOYSA-N 2 0 280.294 1.169 20 30 CDEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154903811 937601629 /nfs/dbraw/zinc/60/16/29/937601629.db2.gz FTYJFLOVYXNQEL-OAHLLOKOSA-N 2 0 299.459 1.357 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904468 937602404 /nfs/dbraw/zinc/60/24/04/937602404.db2.gz SXOBRZAWNCPTIV-CYBMUJFWSA-N 2 0 255.406 1.341 20 30 CDEDRP C=CCC[N@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148161325 932657533 /nfs/dbraw/zinc/65/75/33/932657533.db2.gz TUXINYCHTLSSDC-UHFFFAOYSA-N 2 0 291.439 1.439 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226682 937651390 /nfs/dbraw/zinc/65/13/90/937651390.db2.gz NEYPHUCSOGTLQW-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120422579 937798847 /nfs/dbraw/zinc/79/88/47/937798847.db2.gz MZHAHDYMHCREKH-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001097085406 936265699 /nfs/dbraw/zinc/26/56/99/936265699.db2.gz FTUOXRDDEPXROC-QXSJWSMHSA-N 2 0 289.423 1.236 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001121916487 937889902 /nfs/dbraw/zinc/88/99/02/937889902.db2.gz AHCQRRZQCXKFRY-KGLIPLIRSA-N 2 0 265.401 1.367 20 30 CDEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374189 938359725 /nfs/dbraw/zinc/35/97/25/938359725.db2.gz MJHDZQQTAYQWQS-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP N#Cc1ccc2[nH]c(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cc2c1 ZINC001156461525 938370384 /nfs/dbraw/zinc/37/03/84/938370384.db2.gz PYFZOEWXPSZGIL-UHFFFAOYSA-N 2 0 298.350 1.114 20 30 CDEDRP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158852367 938670297 /nfs/dbraw/zinc/67/02/97/938670297.db2.gz CFNZDOKCMRSHBW-MRXNPFEDSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158856448 938671192 /nfs/dbraw/zinc/67/11/92/938671192.db2.gz HJOVQHWMZJHHDA-OAHLLOKOSA-N 2 0 279.428 1.581 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001159154641 938706495 /nfs/dbraw/zinc/70/64/95/938706495.db2.gz ASNIZVWHLDNDAV-CQSZACIVSA-N 2 0 287.423 1.728 20 30 CDEDRP Cc1nc(N[C@H]([NH3+])CCC[NH3+])c(C#N)c(C)c1Cl ZINC001159780242 938751773 /nfs/dbraw/zinc/75/17/73/938751773.db2.gz VJJLETPNJTWJJW-JTQLQIEISA-N 2 0 267.764 1.659 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159931443 938761205 /nfs/dbraw/zinc/76/12/05/938761205.db2.gz CQSRWWPLDMIXNN-CQSZACIVSA-N 2 0 267.417 1.389 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161042126 938863421 /nfs/dbraw/zinc/86/34/21/938863421.db2.gz ORIAFCDIAKEWHR-GJZGRUSLSA-N 2 0 281.444 1.921 20 30 CDEDRP COc1nc(NCCC[NH2+]CCCC[NH3+])c(F)cc1C#N ZINC001162292954 938972488 /nfs/dbraw/zinc/97/24/88/938972488.db2.gz UBNSGEXRNMLCDI-UHFFFAOYSA-N 2 0 295.362 1.231 20 30 CDEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001163820932 939337900 /nfs/dbraw/zinc/33/79/00/939337900.db2.gz JSXSHFUALJIYHC-OAHLLOKOSA-N 2 0 293.455 1.923 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205242491 939841743 /nfs/dbraw/zinc/84/17/43/939841743.db2.gz PJEYRLRIBYJNPY-INIZCTEOSA-N 2 0 293.455 1.873 20 30 CDEDRP N#Cc1ccc(CC[N@H+]2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001205666003 939914341 /nfs/dbraw/zinc/91/43/41/939914341.db2.gz XZITUKCZSMUHCN-INIZCTEOSA-N 2 0 273.380 1.276 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001206874986 940105941 /nfs/dbraw/zinc/10/59/41/940105941.db2.gz QXRQXHBQCBTYQS-UHFFFAOYSA-N 2 0 291.439 1.487 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001207231663 940168258 /nfs/dbraw/zinc/16/82/58/940168258.db2.gz NUKAQJPSQSKWGL-RBSFLKMASA-N 2 0 297.418 1.126 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207688677 940231757 /nfs/dbraw/zinc/23/17/57/940231757.db2.gz RQYRYHIXVHLGRB-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208013707 940279052 /nfs/dbraw/zinc/27/90/52/940279052.db2.gz JJWBRDOVFXUPQE-JKSUJKDBSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001208341299 940321951 /nfs/dbraw/zinc/32/19/51/940321951.db2.gz YFKQFKBMUFMPJK-AWEZNQCLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001209641249 940621932 /nfs/dbraw/zinc/62/19/32/940621932.db2.gz HVHTTZQYEZOCOY-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210220784 940672292 /nfs/dbraw/zinc/67/22/92/940672292.db2.gz WTLGZGJOWRQEIL-AWEZNQCLSA-N 2 0 267.417 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210492988 940694593 /nfs/dbraw/zinc/69/45/93/940694593.db2.gz GUWFIBAUNSABHR-AWEZNQCLSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346295 940770007 /nfs/dbraw/zinc/77/00/07/940770007.db2.gz GNWSLZIMCUGOJX-HUUCEWRRSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216751852 940963965 /nfs/dbraw/zinc/96/39/65/940963965.db2.gz AQPIYRWCTSFBGU-RBSFLKMASA-N 2 0 279.428 1.341 20 30 CDEDRP C#CC[C@]1(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CCC[NH2+]1 ZINC001219027875 941301296 /nfs/dbraw/zinc/30/12/96/941301296.db2.gz GAIIDLOCRHJKEE-QGZVFWFLSA-N 2 0 299.374 1.253 20 30 CDEDRP N#Cc1ccc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c2cccnc12 ZINC001219467885 941348556 /nfs/dbraw/zinc/34/85/56/941348556.db2.gz RNYIVIFWAJUQNU-ZDUSSCGKSA-N 2 0 297.362 1.501 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220885088 941481136 /nfs/dbraw/zinc/48/11/36/941481136.db2.gz XYZBYOKEBMAMTQ-STQMWFEESA-N 2 0 253.390 1.318 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221588228 941543747 /nfs/dbraw/zinc/54/37/47/941543747.db2.gz ZAWDFQMBKQKJBE-QLFBSQMISA-N 2 0 297.418 1.385 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001225564314 941881439 /nfs/dbraw/zinc/88/14/39/941881439.db2.gz SDLNQOSERQMIDL-UHFFFAOYSA-N 2 0 293.455 1.877 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](F)C[NH+](CC)CC ZINC001226564370 942026621 /nfs/dbraw/zinc/02/66/21/942026621.db2.gz KKIHXGHJPPGUIL-RBSFLKMASA-N 2 0 299.434 1.869 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001230349107 942610622 /nfs/dbraw/zinc/61/06/22/942610622.db2.gz IBJCCLXRTZNLIP-UHFFFAOYSA-N 2 0 291.439 1.466 20 30 CDEDRP C#Cc1cccc(C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c1 ZINC001231664072 942967109 /nfs/dbraw/zinc/96/71/09/942967109.db2.gz VDTQNPAGNOOITL-UHFFFAOYSA-N 2 0 299.418 1.264 20 30 CDEDRP Cc1ccc(CN(C)CCN2CC[NH+](C)CC2)c(C#N)c1 ZINC001232967756 943448011 /nfs/dbraw/zinc/44/80/11/943448011.db2.gz UTGLFCQHMCTLLL-UHFFFAOYSA-N 2 0 286.423 1.546 20 30 CDEDRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2CCCCC#N ZINC001277950904 944184514 /nfs/dbraw/zinc/18/45/14/944184514.db2.gz AATFWAALXJYODJ-GJZGRUSLSA-N 2 0 264.417 1.390 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001266222097 944768511 /nfs/dbraw/zinc/76/85/11/944768511.db2.gz NPURXNCHXRFBCN-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001258717242 945391070 /nfs/dbraw/zinc/39/10/70/945391070.db2.gz KVAHVHKPYRVVLU-CQSZACIVSA-N 2 0 253.434 1.957 20 30 CDEDRP N#C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](C3COC3)CC2)C1 ZINC001254658926 947575675 /nfs/dbraw/zinc/57/56/75/947575675.db2.gz XQYUEFSYQLIGOF-UONOGXRCSA-N 2 0 263.385 1.379 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](C)COC)CC1 ZINC001255584251 948009607 /nfs/dbraw/zinc/00/96/07/948009607.db2.gz VYCOESICEDCMTJ-INIZCTEOSA-N 2 0 281.444 1.313 20 30 CDEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246306881 948094478 /nfs/dbraw/zinc/09/44/78/948094478.db2.gz ZTQBRZLNQJKVSJ-CYBMUJFWSA-N 2 0 275.352 1.321 20 30 CDEDRP N#CC1CCC([NH2+]CC2CC[NH+](CCO)CC2)CC1 ZINC001256956121 948463269 /nfs/dbraw/zinc/46/32/69/948463269.db2.gz KJRXWMKMQCOLMX-UHFFFAOYSA-N 2 0 265.401 1.363 20 30 CDEDRP CC(C)[NH+]1CCC(NC(=[NH2+])c2ccc(C(N)=O)cc2)CC1 ZINC001257210573 948546722 /nfs/dbraw/zinc/54/67/22/948546722.db2.gz SMCRBKNWZBAEAW-UHFFFAOYSA-N 2 0 288.395 1.364 20 30 CDEDRP C=C1C[C@@H]2CC(NC(=[NH2+])NCCCC[NH3+])C[C@H](C1)C2 ZINC001257888590 948655952 /nfs/dbraw/zinc/65/59/52/948655952.db2.gz UQENDAQAXFMFMJ-PBWFPOADSA-N 2 0 264.417 1.974 20 30 CDEDRP C=CCC[C@H](O)C[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001252589217 951481958 /nfs/dbraw/zinc/48/19/58/951481958.db2.gz LEPRICTUSHHBFV-INIZCTEOSA-N 2 0 283.460 1.273 20 30 CDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@H](O)CCC)CC1 ZINC001252789794 951642788 /nfs/dbraw/zinc/64/27/88/951642788.db2.gz NNZLFTWNNPNLAC-QGZVFWFLSA-N 2 0 295.471 1.439 20 30 CDEDRP C=C[C@@H](O)C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001253604145 951991577 /nfs/dbraw/zinc/99/15/77/951991577.db2.gz GTOCTUMFTILYOV-MRXNPFEDSA-N 2 0 290.407 1.150 20 30 CDEDRP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001326304795 954311538 /nfs/dbraw/zinc/31/15/38/954311538.db2.gz QYVPJHHPEHBOAI-HUUCEWRRSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001327145729 954734561 /nfs/dbraw/zinc/73/45/61/954734561.db2.gz GIYQAMNUCJSBPY-HZPDHXFCSA-N 2 0 293.455 1.567 20 30 CDEDRP CN1CCN(c2ccc(C=[NH+]N3CCC3)cc2F)CC1 ZINC001329670905 956053583 /nfs/dbraw/zinc/05/35/83/956053583.db2.gz AVGLMDHPNSOJFU-UHFFFAOYSA-N 2 0 276.359 1.617 20 30 CDEDRP C#CCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001319030583 958340890 /nfs/dbraw/zinc/34/08/90/958340890.db2.gz ZPXHAKDFJIDAJH-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC001340312123 962884226 /nfs/dbraw/zinc/88/42/26/962884226.db2.gz MAYIZURVVVLHSX-OLZOCXBDSA-N 2 0 253.390 1.318 20 30 CDEDRP C#CC[NH2+]CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001340335303 962896045 /nfs/dbraw/zinc/89/60/45/962896045.db2.gz JJPVOPONCDYLBR-CQSZACIVSA-N 2 0 293.798 1.282 20 30 CDEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001100669300 968911125 /nfs/dbraw/zinc/91/11/25/968911125.db2.gz SKMJATXJYCUYSZ-GPANFISMSA-N 2 0 293.455 1.615 20 30 CDEDRP C=CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132153101 1163183107 /nfs/dbraw/zinc/18/31/07/1163183107.db2.gz NHZBISLDSQSUTO-KGLIPLIRSA-N 2 0 281.444 1.872 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001133276189 1163624529 /nfs/dbraw/zinc/62/45/29/1163624529.db2.gz ZTGRZIZTOODQLU-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001133275892 1163624622 /nfs/dbraw/zinc/62/46/22/1163624622.db2.gz XYPDYYSRFHQREQ-CABCVRRESA-N 2 0 281.444 1.588 20 30 CDEDRP C=C(CC[NH+](C)C)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC001574849301 1171026890 /nfs/dbraw/zinc/02/68/90/1171026890.db2.gz MDBGPRFNVKLKCC-ZDUSSCGKSA-N 2 0 255.406 1.326 20 30 CDEDRP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@@H](O)CC1(C#N)CC1 ZINC001575453562 1171176132 /nfs/dbraw/zinc/17/61/32/1171176132.db2.gz RQZWEQHMFFXIDF-STQMWFEESA-N 2 0 253.390 1.346 20 30 CDEDRP C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1CC[NH+](C)CC1 ZINC000594439164 342906731 /nfs/dbraw/zinc/90/67/31/342906731.db2.gz SWJAPEODEWDZSQ-JSGCOSHPSA-N 2 0 280.416 1.244 20 30 CDEDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442800158 362091784 /nfs/dbraw/zinc/09/17/84/362091784.db2.gz YZJMIKJGVKAMNB-MGPQQGTHSA-N 2 0 253.390 1.625 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000083029528 342376449 /nfs/dbraw/zinc/37/64/49/342376449.db2.gz VPMPETYCKDCBBY-AWEZNQCLSA-N 2 0 290.411 1.756 20 30 CDEDRP CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000598720050 343883273 /nfs/dbraw/zinc/88/32/73/343883273.db2.gz LSYYCJBYLUUCDA-KBPBESRZSA-N 2 0 265.401 1.361 20 30 CDEDRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598722610 343884293 /nfs/dbraw/zinc/88/42/93/343884293.db2.gz BXGBIRSXFCNAFJ-HUUCEWRRSA-N 2 0 281.444 1.855 20 30 CDEDRP CO[C@H]1CN(Cc2ccc(C#N)cc2)[C@](C)(C[NH3+])C1 ZINC000600888097 349889246 /nfs/dbraw/zinc/88/92/46/349889246.db2.gz YEAVZNLGHDCCCV-CABCVRRESA-N 2 0 259.353 1.496 20 30 CDEDRP C[C@H](CCC#N)C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000602618041 344498188 /nfs/dbraw/zinc/49/81/88/344498188.db2.gz DXBGFSTVUNEQIR-HUUCEWRRSA-N 2 0 266.433 1.542 20 30 CDEDRP C[C@H](CCC#N)C[NH2+]C[C@H]1CCCN1CCCO ZINC000602673051 344523086 /nfs/dbraw/zinc/52/30/86/344523086.db2.gz HQNYRFQCJPOQKN-ZIAGYGMSSA-N 2 0 253.390 1.363 20 30 CDEDRP C[NH+]=C(NCC[NH+]1CCCCCC1)NCc1ccco1 ZINC000264102682 362968037 /nfs/dbraw/zinc/96/80/37/362968037.db2.gz ZAOVONVNENXLNQ-UHFFFAOYSA-N 2 0 278.400 1.821 20 30 CDEDRP C=CCNC(=[NH2+])NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000264270953 363015887 /nfs/dbraw/zinc/01/58/87/363015887.db2.gz LOMPQJKVQLQRJV-UHFFFAOYSA-N 2 0 290.411 1.607 20 30 CDEDRP C=CCc1cc(C[N@H+](C)CCOCC[NH3+])cc(OC)c1O ZINC000629661562 363316409 /nfs/dbraw/zinc/31/64/09/363316409.db2.gz COIYWWYBENRDAI-UHFFFAOYSA-N 2 0 294.395 1.536 20 30 CDEDRP N#C[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000333571174 283058871 /nfs/dbraw/zinc/05/88/71/283058871.db2.gz UDOUDZWUMXFWDX-SYAUCNOPSA-N 2 0 277.412 1.646 20 30 CDEDRP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000092797574 360286168 /nfs/dbraw/zinc/28/61/68/360286168.db2.gz OBKWBDBRESVZKT-OAHLLOKOSA-N 2 0 292.427 1.166 20 30 CDEDRP CC(C)(CCC#N)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000304370744 370731688 /nfs/dbraw/zinc/73/16/88/370731688.db2.gz ZUNXWYMYMKCHSZ-ZDUSSCGKSA-N 2 0 253.390 1.363 20 30 CDEDRP C=CCOCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683150 364396588 /nfs/dbraw/zinc/39/65/88/364396588.db2.gz HPIZXLGLNPQATC-UHFFFAOYSA-N 2 0 261.369 1.796 20 30 CDEDRP C[NH+]=C(NCC[N@@H+]1CCC[C@@H](C)C1)NCc1ccco1 ZINC000171409853 365274205 /nfs/dbraw/zinc/27/42/05/365274205.db2.gz WNIHGDZOVVUFBI-CYBMUJFWSA-N 2 0 278.400 1.677 20 30 CDEDRP CC[C@H](CC#N)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000328599453 374714817 /nfs/dbraw/zinc/71/48/17/374714817.db2.gz SEBWXYKZDILMKD-OAHLLOKOSA-N 2 0 266.433 1.684 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000417518294 377790563 /nfs/dbraw/zinc/79/05/63/377790563.db2.gz BCLBPINBANOYHO-UKRRQHHQSA-N 2 0 294.443 1.467 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH2+]C)CC1 ZINC000417536297 377899108 /nfs/dbraw/zinc/89/91/08/377899108.db2.gz KCUHBJZXXGKIJE-ZDUSSCGKSA-N 2 0 282.432 1.182 20 30 CDEDRP C=C(C)CN(CC)C(=O)C[N@H+](C)CCCn1ccnc1C ZINC000136294425 378320191 /nfs/dbraw/zinc/32/01/91/378320191.db2.gz WUKDBCLUWDPJBJ-UHFFFAOYSA-N 2 0 292.427 1.938 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000237594373 390857233 /nfs/dbraw/zinc/85/72/33/390857233.db2.gz OMDGMYFDQGVKDQ-HUUCEWRRSA-N 2 0 293.455 1.779 20 30 CDEDRP C=C[C@@H](CO)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000352473878 391150213 /nfs/dbraw/zinc/15/02/13/391150213.db2.gz YYMLOBUKKHBIOE-ZDUSSCGKSA-N 2 0 258.325 1.212 20 30 CDEDRP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339437755 391302175 /nfs/dbraw/zinc/30/21/75/391302175.db2.gz GPJRADGWFQBWNM-MRXNPFEDSA-N 2 0 292.427 1.166 20 30 CDEDRP CN1CC[NH+]=C1NCC1CC[NH+](Cc2cccs2)CC1 ZINC000262479814 391792071 /nfs/dbraw/zinc/79/20/71/391792071.db2.gz CUIWPEJCENREFN-UHFFFAOYSA-N 2 0 292.452 1.851 20 30 CDEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000192823522 392540397 /nfs/dbraw/zinc/54/03/97/392540397.db2.gz LZGYCOGNLDIDKQ-IXDOHACOSA-N 2 0 292.471 1.932 20 30 CDEDRP C[N@H+](Cc1ccccc1)[C@H](CNC(=[NH2+])NC1CC1)C1CC1 ZINC000186890333 262115133 /nfs/dbraw/zinc/11/51/33/262115133.db2.gz OGWOWHBKUBAYRS-MRXNPFEDSA-N 2 0 286.423 1.964 20 30 CDEDRP CC#CC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371342621 267393876 /nfs/dbraw/zinc/39/38/76/267393876.db2.gz BHJCTWVMICDREN-UHFFFAOYSA-N 2 0 263.429 1.500 20 30 CDEDRP CN(C)C(=[NH2+])NCC1([NH+]2CCSCC2)CCCC1 ZINC000170906285 329071936 /nfs/dbraw/zinc/07/19/36/329071936.db2.gz REFMBTZQWLIWBY-UHFFFAOYSA-N 2 0 270.446 1.224 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCSCC1 ZINC000262523727 330022989 /nfs/dbraw/zinc/02/29/89/330022989.db2.gz JRFYWYWQSGRURW-CYBMUJFWSA-N 2 0 284.473 1.518 20 30 CDEDRP CC(C)C[N@@H+]1CCC[C@@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000262655381 330024758 /nfs/dbraw/zinc/02/47/58/330024758.db2.gz LLSRVYCCNQALBI-STQMWFEESA-N 2 0 252.406 1.292 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000263154257 330046316 /nfs/dbraw/zinc/04/63/16/330046316.db2.gz MOAGURMEFUTSTE-REWJHTLYSA-N 2 0 296.459 1.435 20 30 CDEDRP CC[NH+]=C(NC[C@H]1C[N@H+](CC(C)C)CCO1)N1CCCC1 ZINC000263251524 330050676 /nfs/dbraw/zinc/05/06/76/330050676.db2.gz PDCFUIDVHVYLPJ-HNNXBMFYSA-N 2 0 296.459 1.405 20 30 CDEDRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424134336 330266667 /nfs/dbraw/zinc/26/66/67/330266667.db2.gz NJSJEBWGQOPYOF-CHWSQXEVSA-N 2 0 268.405 1.100 20 30 CDEDRP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)c1cccs1 ZINC000424139601 330279756 /nfs/dbraw/zinc/27/97/56/330279756.db2.gz RLXQYMJVYRSZBC-NEPJUHHUSA-N 2 0 294.424 1.488 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000773117491 575784108 /nfs/dbraw/zinc/78/41/08/575784108.db2.gz RFENPJJVQHJYIT-CQSZACIVSA-N 2 0 293.455 1.757 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000764152709 576782562 /nfs/dbraw/zinc/78/25/62/576782562.db2.gz SUSIPKWUNFVBLP-UHFFFAOYSA-N 2 0 265.401 1.191 20 30 CDEDRP C#CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC000965062920 612954244 /nfs/dbraw/zinc/95/42/44/612954244.db2.gz IQHUNUBBYPMPJL-DPGVGJJJSA-N 2 0 289.423 1.121 20 30 CDEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975049407 613031660 /nfs/dbraw/zinc/03/16/60/613031660.db2.gz KUFPQTFFPOLRBB-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000971844823 613093147 /nfs/dbraw/zinc/09/31/47/613093147.db2.gz RVDXVJPHBASSBI-JKSUJKDBSA-N 2 0 291.439 1.273 20 30 CDEDRP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC000942288196 613238719 /nfs/dbraw/zinc/23/87/19/613238719.db2.gz PMJBSSSYOIJLAJ-CZUORRHYSA-N 2 0 296.374 1.408 20 30 CDEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000969411405 613298871 /nfs/dbraw/zinc/29/88/71/613298871.db2.gz KDRFRRUZVQDYOK-OCCSQVGLSA-N 2 0 265.401 1.093 20 30 CDEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000970928476 613299572 /nfs/dbraw/zinc/29/95/72/613299572.db2.gz LJVBLSGXDPVJNM-GDBMZVCRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968149202 613333454 /nfs/dbraw/zinc/33/34/54/613333454.db2.gz CQISJQQWZZRVDI-GOEBONIOSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000970788501 613348184 /nfs/dbraw/zinc/34/81/84/613348184.db2.gz NACHZTPXCITFAQ-OAHLLOKOSA-N 2 0 279.428 1.629 20 30 CDEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC000970372032 613482640 /nfs/dbraw/zinc/48/26/40/613482640.db2.gz KPZFZNJBLHUEIV-CYBMUJFWSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000969144268 613490527 /nfs/dbraw/zinc/49/05/27/613490527.db2.gz ICOAMGFTXLSAEW-HZPDHXFCSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968152158 613517333 /nfs/dbraw/zinc/51/73/33/613517333.db2.gz JYFZVDMWONJTSX-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000972335088 613628158 /nfs/dbraw/zinc/62/81/58/613628158.db2.gz MTOOOIRTVMDXCH-KGLIPLIRSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971792966 613630744 /nfs/dbraw/zinc/63/07/44/613630744.db2.gz AGNVCAJDPZOIEB-KBPBESRZSA-N 2 0 265.401 1.189 20 30 CDEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC000960836808 613641118 /nfs/dbraw/zinc/64/11/18/613641118.db2.gz KMOZNTMRSJTWOQ-ZSHCYNCHSA-N 2 0 294.358 1.018 20 30 CDEDRP C=CCN1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000981438240 613692802 /nfs/dbraw/zinc/69/28/02/613692802.db2.gz MPERIOPCICDGDB-CVEARBPZSA-N 2 0 291.439 1.724 20 30 CDEDRP CCO[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](OCC)C2)C1 ZINC000932970637 617426025 /nfs/dbraw/zinc/42/60/25/617426025.db2.gz IXYWVUFBDXVDFI-HOTGVXAUSA-N 2 0 280.412 1.211 20 30 CDEDRP C=CC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000977218624 613805911 /nfs/dbraw/zinc/80/59/11/613805911.db2.gz ZQWJCQKCBZEVFK-OAHLLOKOSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC000965063998 613857888 /nfs/dbraw/zinc/85/78/88/613857888.db2.gz OZJWALQIBKZWIL-DPGVGJJJSA-N 2 0 291.439 1.531 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000968850701 613865476 /nfs/dbraw/zinc/86/54/76/613865476.db2.gz FGMCNHDYQMCXFS-ZIAGYGMSSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000970785938 613867149 /nfs/dbraw/zinc/86/71/49/613867149.db2.gz KHPNNJANCLPHRQ-MRXNPFEDSA-N 2 0 287.407 1.738 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2C[NH2+]C)CC1 ZINC000891522924 617459597 /nfs/dbraw/zinc/45/95/97/617459597.db2.gz YCPYGXNRZSFOCV-OAHLLOKOSA-N 2 0 294.443 1.420 20 30 CDEDRP C[C@H](C#N)OCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000801916398 624874227 /nfs/dbraw/zinc/87/42/27/624874227.db2.gz XEKYTVWARQZGLU-OAHLLOKOSA-N 2 0 295.427 1.349 20 30 CDEDRP C=C(Cl)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903505889 626009545 /nfs/dbraw/zinc/00/95/45/626009545.db2.gz KUPJMWJMXDBBFS-OKILXGFUSA-N 2 0 269.820 1.640 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000911726217 629443793 /nfs/dbraw/zinc/44/37/93/629443793.db2.gz RTISKHSMFXUBEV-AVGNSLFASA-N 2 0 253.390 1.174 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000913522243 630527774 /nfs/dbraw/zinc/52/77/74/630527774.db2.gz BBYMTEZGOMBOCQ-UHFFFAOYSA-N 2 0 287.407 1.086 20 30 CDEDRP Fc1ccc(CC[NH+]2CCC(=[NH+]n3cnnc3)CC2)cc1 ZINC000915931815 631871162 /nfs/dbraw/zinc/87/11/62/631871162.db2.gz HLKXCIMANZPDIR-UHFFFAOYSA-N 2 0 287.342 1.960 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158037780 1162698692 /nfs/dbraw/zinc/69/86/92/1162698692.db2.gz LCUDSMNOAWXEHY-HUUCEWRRSA-N 2 0 279.428 1.533 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001271953472 1160382864 /nfs/dbraw/zinc/38/28/64/1160382864.db2.gz GIZYRUAADZYKTL-KRWDZBQOSA-N 2 0 291.439 1.583 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001088426140 1160403794 /nfs/dbraw/zinc/40/37/94/1160403794.db2.gz MHUOXRPGLKEPQX-OAHLLOKOSA-N 2 0 277.412 1.076 20 30 CDEDRP CC#CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132153507 1163184117 /nfs/dbraw/zinc/18/41/17/1163184117.db2.gz RDKHFPHYYSOJAV-HUUCEWRRSA-N 2 0 293.455 1.709 20 30 CDEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132266736 1163220319 /nfs/dbraw/zinc/22/03/19/1163220319.db2.gz ZIPVEEIAGGTQKP-CABCVRRESA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001133072133 1163551542 /nfs/dbraw/zinc/55/15/42/1163551542.db2.gz GDAUKPQKCJBPMB-HZPDHXFCSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858157 1164109168 /nfs/dbraw/zinc/10/91/68/1164109168.db2.gz OYUYTEZSUWBJLG-KGLIPLIRSA-N 2 0 279.428 1.674 20 30 CDEDRP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCOCC3)cc1C#N ZINC001579697051 1172242822 /nfs/dbraw/zinc/24/28/22/1172242822.db2.gz UWLNZKDQJYYJFW-CVEARBPZSA-N 2 0 285.391 1.853 20 30 CDEDRP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001700754320 1177115226 /nfs/dbraw/zinc/11/52/26/1177115226.db2.gz QEHXCPWPSFMJBL-OLZOCXBDSA-N 2 0 255.406 1.195 20 30 CDEDRP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001717459258 1180680249 /nfs/dbraw/zinc/68/02/49/1180680249.db2.gz WJYQFJOCOHDVJJ-AWEZNQCLSA-N 2 0 281.444 1.424 20 30 CDEDRP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001722904286 1181489115 /nfs/dbraw/zinc/48/91/15/1181489115.db2.gz CAJPQIQAIHMHJR-KGLIPLIRSA-N 2 0 269.433 1.585 20 30 CDEDRP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001725171915 1181903273 /nfs/dbraw/zinc/90/32/73/1181903273.db2.gz ONRTUWNTWWEPFQ-CABCVRRESA-N 2 0 283.460 1.975 20 30 CDEDRP C=CC[NH+]1CCC(C2(NC(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001734607412 1183842238 /nfs/dbraw/zinc/84/22/38/1183842238.db2.gz ROJYDESLFDJUIE-HNNXBMFYSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001752842208 1184929612 /nfs/dbraw/zinc/92/96/12/1184929612.db2.gz VSLFQJHLSRRXSU-LSDHHAIUSA-N 2 0 279.428 1.178 20 30 CDEDRP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)C[N@@H+](C)CCC ZINC001753038077 1185004167 /nfs/dbraw/zinc/00/41/67/1185004167.db2.gz OOPGLNODVBHQAF-INIZCTEOSA-N 2 0 293.455 1.712 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001753277469 1185139524 /nfs/dbraw/zinc/13/95/24/1185139524.db2.gz HUMJRJVOMPXBON-AWEZNQCLSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CCCC1 ZINC001753671253 1185294393 /nfs/dbraw/zinc/29/43/93/1185294393.db2.gz SVJFFPZZFZPQII-HNNXBMFYSA-N 2 0 291.439 1.513 20 30 CDEDRP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001754316696 1185571625 /nfs/dbraw/zinc/57/16/25/1185571625.db2.gz QUQOVFMMTSTIHN-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CCC[N@@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001754331094 1185583338 /nfs/dbraw/zinc/58/33/38/1185583338.db2.gz OHAVZPZEIVFVIJ-ZDUSSCGKSA-N 2 0 265.401 1.095 20 30 CDEDRP C#CCC[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001754443802 1185620432 /nfs/dbraw/zinc/62/04/32/1185620432.db2.gz FDCLQYVNURYXJH-HOTGVXAUSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001754515892 1185653823 /nfs/dbraw/zinc/65/38/23/1185653823.db2.gz GBBVOVRNCBTPPG-AWEZNQCLSA-N 2 0 279.428 1.675 20 30 CDEDRP C#CCC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001754680820 1185703785 /nfs/dbraw/zinc/70/37/85/1185703785.db2.gz VEICYVFQGATNNX-QGZVFWFLSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001754732433 1185717984 /nfs/dbraw/zinc/71/79/84/1185717984.db2.gz UQCHGVPKLKRRAE-INIZCTEOSA-N 2 0 291.439 1.487 20 30 CDEDRP C=CCC[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001755136176 1185828401 /nfs/dbraw/zinc/82/84/01/1185828401.db2.gz PHTSKOGUTIHPEX-UHFFFAOYSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CCC[NH2+]CCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001755512641 1185976920 /nfs/dbraw/zinc/97/69/20/1185976920.db2.gz WFZIAAYZVXSCIU-HNNXBMFYSA-N 2 0 293.455 1.759 20 30 CDEDRP C=CC[NH2+][C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001755552317 1185987790 /nfs/dbraw/zinc/98/77/90/1185987790.db2.gz IKDDUKIMXZERKT-LSDHHAIUSA-N 2 0 281.444 1.635 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001755861854 1186093167 /nfs/dbraw/zinc/09/31/67/1186093167.db2.gz KVUVOFVMOMVKIQ-UHFFFAOYSA-N 2 0 279.428 1.177 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076324853 844094288 /nfs/dbraw/zinc/09/42/88/844094288.db2.gz DALMVAPJBWTBGE-JKSUJKDBSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001007370195 844332475 /nfs/dbraw/zinc/33/24/75/844332475.db2.gz XGNMTXBBFFGSKD-OWCLPIDISA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014715419 844345561 /nfs/dbraw/zinc/34/55/61/844345561.db2.gz CEYCXQPYQMCRKS-GJZGRUSLSA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001072816420 844358539 /nfs/dbraw/zinc/35/85/39/844358539.db2.gz WNNJKCYYKFMJMK-UHFFFAOYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001014628591 844366205 /nfs/dbraw/zinc/36/62/05/844366205.db2.gz JFANWBKXHQGPIF-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000104178987 844373019 /nfs/dbraw/zinc/37/30/19/844373019.db2.gz ZYLIINNRCNWJPC-STQMWFEESA-N 2 0 284.448 1.436 20 30 CDEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001006924709 844410473 /nfs/dbraw/zinc/41/04/73/844410473.db2.gz IVFDCFLCAMTYSS-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001072981617 844430857 /nfs/dbraw/zinc/43/08/57/844430857.db2.gz MKDBGPMHDKAIKJ-LSDHHAIUSA-N 2 0 291.439 1.295 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CC ZINC001037925876 844538267 /nfs/dbraw/zinc/53/82/67/844538267.db2.gz OSBWYZVWSOATDB-GDBMZVCRSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001003967663 844543403 /nfs/dbraw/zinc/54/34/03/844543403.db2.gz NEVWHMIXWGQXNY-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001008527978 843011010 /nfs/dbraw/zinc/01/10/10/843011010.db2.gz AKGKIYRFBLCGHI-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(Cl)CN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001014511069 843118379 /nfs/dbraw/zinc/11/83/79/843118379.db2.gz ZMUSDBYVERWSSU-HZSPNIEDSA-N 2 0 299.846 1.660 20 30 CDEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001039435880 843203637 /nfs/dbraw/zinc/20/36/37/843203637.db2.gz HYPPIRDQGLZRSQ-XHSDSOJGSA-N 2 0 291.439 1.722 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCC)C2 ZINC001072823712 843464226 /nfs/dbraw/zinc/46/42/26/843464226.db2.gz KNTLOMWLBDMBTN-HNNXBMFYSA-N 2 0 289.423 1.028 20 30 CDEDRP CCN(CC)C(=[NH2+])NCCC[N@@H+]1CCCC[C@@H]1C ZINC000303771032 843466405 /nfs/dbraw/zinc/46/64/05/843466405.db2.gz CGCQKVMVJJSMKL-ZDUSSCGKSA-N 2 0 254.422 1.907 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)C[C@H](C)[NH3+])C(C)C ZINC000861556126 843660712 /nfs/dbraw/zinc/66/07/12/843660712.db2.gz CUSACJPEJRWPRQ-LSDHHAIUSA-N 2 0 296.459 1.674 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000997359161 843723386 /nfs/dbraw/zinc/72/33/86/843723386.db2.gz FYTWDGDOSREUTM-KBPBESRZSA-N 2 0 277.412 1.073 20 30 CDEDRP CCOCCCNC(=[NH2+])NCCC[N@@H+]1CCCC[C@H]1C ZINC000303790855 843807598 /nfs/dbraw/zinc/80/75/98/843807598.db2.gz WXUFVQKFLUJIDU-CQSZACIVSA-N 2 0 284.448 1.582 20 30 CDEDRP C[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)C[NH+]1CCCC1 ZINC000303895510 843816348 /nfs/dbraw/zinc/81/63/48/843816348.db2.gz TXXDLNNTKHCBSQ-ZIAGYGMSSA-N 2 0 266.433 1.765 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001020239119 843828575 /nfs/dbraw/zinc/82/85/75/843828575.db2.gz OSOGZGXUGIPILX-RBSFLKMASA-N 2 0 279.428 1.672 20 30 CDEDRP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001041410288 843934065 /nfs/dbraw/zinc/93/40/65/843934065.db2.gz XJALPCTUGZJKLC-NVXWUHKLSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990761259 844004329 /nfs/dbraw/zinc/00/43/29/844004329.db2.gz IGDUFBOQOZCLGY-PNBKFKSVSA-N 2 0 291.439 1.626 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015391723 844675523 /nfs/dbraw/zinc/67/55/23/844675523.db2.gz KCCZQBVCBXCIQP-HZPDHXFCSA-N 2 0 291.439 1.627 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001020500336 844696289 /nfs/dbraw/zinc/69/62/89/844696289.db2.gz VZDDGBDGOURCIU-JYJNAYRXSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001020926141 845107781 /nfs/dbraw/zinc/10/77/81/845107781.db2.gz BQMMUBSPLPATSO-YHUYYLMFSA-N 2 0 293.455 1.920 20 30 CDEDRP C=CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCCO1 ZINC000883176051 845123931 /nfs/dbraw/zinc/12/39/31/845123931.db2.gz UTVKVIMTFAEMBN-JYJNAYRXSA-N 2 0 282.428 1.547 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023747100 845170500 /nfs/dbraw/zinc/17/05/00/845170500.db2.gz ZRUXFPNDYNQPIM-HUUCEWRRSA-N 2 0 279.428 1.342 20 30 CDEDRP CC1CC[NH+](CCNC(=[NH2+])N2CCSCC2)CC1 ZINC000303888921 845186329 /nfs/dbraw/zinc/18/63/29/845186329.db2.gz LQXMBQUEZWBURI-UHFFFAOYSA-N 2 0 270.446 1.082 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001038270055 845219110 /nfs/dbraw/zinc/21/91/10/845219110.db2.gz VPVQJSBEXXVNPX-OWCLPIDISA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001032589224 845221303 /nfs/dbraw/zinc/22/13/03/845221303.db2.gz YROLOPMLLWTTQA-VGWMRTNUSA-N 2 0 291.439 1.578 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000987192051 845256595 /nfs/dbraw/zinc/25/65/95/845256595.db2.gz OGPZHSVXWMOLMR-WMLDXEAASA-N 2 0 299.418 1.574 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001004210494 845266659 /nfs/dbraw/zinc/26/66/59/845266659.db2.gz WFXFSFAXYAOTGA-MRXNPFEDSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001036095994 845323896 /nfs/dbraw/zinc/32/38/96/845323896.db2.gz ZGYLXQZWZMYROU-GJZGRUSLSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999032040 845371300 /nfs/dbraw/zinc/37/13/00/845371300.db2.gz CRFQBKUJLZWDRY-GPANFISMSA-N 2 0 293.455 1.872 20 30 CDEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033081769 845372059 /nfs/dbraw/zinc/37/20/59/845372059.db2.gz NWFMQEBAMLWDTM-GJZGRUSLSA-N 2 0 277.412 1.047 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C ZINC001074877991 845412520 /nfs/dbraw/zinc/41/25/20/845412520.db2.gz VLKNQCNEBMGWIU-IHRRRGAJSA-N 2 0 265.401 1.093 20 30 CDEDRP C#CCC[NH+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001050755842 845474715 /nfs/dbraw/zinc/47/47/15/845474715.db2.gz NFIZWFAMCLXYPX-UHFFFAOYSA-N 2 0 289.423 1.030 20 30 CDEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000999408553 845491986 /nfs/dbraw/zinc/49/19/86/845491986.db2.gz LHSRXOOXPBQHAV-NFOMZHRRSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000923390930 845590187 /nfs/dbraw/zinc/59/01/87/845590187.db2.gz ZUVBOYWILBKYJI-VGWMRTNUSA-N 2 0 282.428 1.532 20 30 CDEDRP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048721221 846064533 /nfs/dbraw/zinc/06/45/33/846064533.db2.gz YCPLYZNXEWQZJD-MJBXVCDLSA-N 2 0 297.830 1.223 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001033777797 846078286 /nfs/dbraw/zinc/07/82/86/846078286.db2.gz XBLXNSJGQHQTJH-HUUCEWRRSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC ZINC001021285089 846093977 /nfs/dbraw/zinc/09/39/77/846093977.db2.gz BSKXXJYWRURNEV-UYTSQGDYSA-N 2 0 289.423 1.216 20 30 CDEDRP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046317529 846123075 /nfs/dbraw/zinc/12/30/75/846123075.db2.gz HSJVXIZVZZWXCG-RDJZCZTQSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001027879068 846133365 /nfs/dbraw/zinc/13/33/65/846133365.db2.gz MGRWNOCNLDTFSH-LSDHHAIUSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CCN1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001015705429 846142324 /nfs/dbraw/zinc/14/23/24/846142324.db2.gz LFFFCJGJTGKYLU-BBRMVZONSA-N 2 0 295.402 1.023 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001028765633 846156387 /nfs/dbraw/zinc/15/63/87/846156387.db2.gz BMAMFEUGSDMTAX-XHSDSOJGSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC001044744427 846170176 /nfs/dbraw/zinc/17/01/76/846170176.db2.gz OWHHHSYGWIRMIL-LSDHHAIUSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001042356450 846300624 /nfs/dbraw/zinc/30/06/24/846300624.db2.gz IFLLVQBNFFVOEU-HUUCEWRRSA-N 2 0 277.412 1.191 20 30 CDEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034490360 846350077 /nfs/dbraw/zinc/35/00/77/846350077.db2.gz KXHNYZVBUQXGCS-HZPDHXFCSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCOCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000851913067 846353828 /nfs/dbraw/zinc/35/38/28/846353828.db2.gz UIOWVRYFLRTSQB-UHFFFAOYSA-N 2 0 294.439 1.461 20 30 CDEDRP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001008298129 846408975 /nfs/dbraw/zinc/40/89/75/846408975.db2.gz HQRQZQIAIGVRRG-JYJNAYRXSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033531880 846451398 /nfs/dbraw/zinc/45/13/98/846451398.db2.gz OGAXPQUHEUTVDZ-MRXNPFEDSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3ncc[nH]3)CC[C@@H]21 ZINC001036702872 846471002 /nfs/dbraw/zinc/47/10/02/846471002.db2.gz SSJGGBWVNURRHK-KGLIPLIRSA-N 2 0 288.395 1.451 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002120037 846478343 /nfs/dbraw/zinc/47/83/43/846478343.db2.gz DTNLDSPFKKZTHZ-HNNXBMFYSA-N 2 0 279.428 1.342 20 30 CDEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000834489499 846491942 /nfs/dbraw/zinc/49/19/42/846491942.db2.gz MZWFDQYMMYNHLA-JKSUJKDBSA-N 2 0 298.390 1.124 20 30 CDEDRP C#CCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001072979799 846550676 /nfs/dbraw/zinc/55/06/76/846550676.db2.gz MBBDFSBMPZMPAG-HNNXBMFYSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2ccnc2)[C@H]1C ZINC001074927730 846587748 /nfs/dbraw/zinc/58/77/48/846587748.db2.gz QHJHONNYJLAHPY-IHRRRGAJSA-N 2 0 276.384 1.599 20 30 CDEDRP CCOCCC[N@@H+]1CCC(=NNC2=[NH+][C@H](C)CN2)[C@H](C)C1 ZINC000779794182 846616020 /nfs/dbraw/zinc/61/60/20/846616020.db2.gz DIPFITNZKXXUGE-CHWSQXEVSA-N 2 0 295.431 1.048 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001074657840 846757918 /nfs/dbraw/zinc/75/79/18/846757918.db2.gz HRDFSMPVBWBICG-RQJABVFESA-N 2 0 265.401 1.092 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001019044216 846772274 /nfs/dbraw/zinc/77/22/74/846772274.db2.gz QJQKYUYEORFTAC-QWHCGFSZSA-N 2 0 285.819 1.414 20 30 CDEDRP C[NH+]=C(NCC(C)(C)C[NH+](C)C)N1CC[C@@]2(CCOC2)C1 ZINC000261990019 846860045 /nfs/dbraw/zinc/86/00/45/846860045.db2.gz RBDXQXAKZHRIPX-MRXNPFEDSA-N 2 0 296.459 1.262 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001028768131 846913016 /nfs/dbraw/zinc/91/30/16/846913016.db2.gz WBOAIJSZKYZWCJ-JYJNAYRXSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000989448910 846939692 /nfs/dbraw/zinc/93/96/92/846939692.db2.gz ABADEPFAMJXULM-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001031802098 846950416 /nfs/dbraw/zinc/95/04/16/846950416.db2.gz NUODZSCHVGJRIA-MRXNPFEDSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH2+][C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001054862388 847014653 /nfs/dbraw/zinc/01/46/53/847014653.db2.gz CUFDAIYKQJOBQA-WFASDCNBSA-N 2 0 282.347 1.018 20 30 CDEDRP N#Cc1ccc([C@H](O)C[NH2+][C@H]2CCn3ccnc3C2)cc1 ZINC000819243563 847020861 /nfs/dbraw/zinc/02/08/61/847020861.db2.gz AZQPXANFKZQSOM-LSDHHAIUSA-N 2 0 282.347 1.393 20 30 CDEDRP COCCNC(=[NH2+])NCCCCC[NH+]1CCCCC1 ZINC000304039736 847117707 /nfs/dbraw/zinc/11/77/07/847117707.db2.gz IKYUUWTVOITREJ-UHFFFAOYSA-N 2 0 270.421 1.193 20 30 CDEDRP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001026497132 847205064 /nfs/dbraw/zinc/20/50/64/847205064.db2.gz OEERDCUZAOQJIH-SSHXOBKSSA-N 2 0 293.455 1.920 20 30 CDEDRP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000886599520 847299092 /nfs/dbraw/zinc/29/90/92/847299092.db2.gz AKMGVVNDLOEDII-HNNXBMFYSA-N 2 0 281.444 1.683 20 30 CDEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000997010005 847318612 /nfs/dbraw/zinc/31/86/12/847318612.db2.gz QCLFGHMPONORNB-AWEZNQCLSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC000996001090 847368165 /nfs/dbraw/zinc/36/81/65/847368165.db2.gz XMLGPTXESQNVDP-AWEZNQCLSA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000996993745 847584452 /nfs/dbraw/zinc/58/44/52/847584452.db2.gz DJBDVMOKQLYMLD-CYBMUJFWSA-N 2 0 299.846 1.804 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1(C)C ZINC000995880226 847730111 /nfs/dbraw/zinc/73/01/11/847730111.db2.gz JFTFWPUSGUZNCR-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP C#C[C@@](C)(CC)[NH2+]CC1(C[NH2+][C@](C)(C#C)CC)COC1 ZINC000852100814 847741636 /nfs/dbraw/zinc/74/16/36/847741636.db2.gz JHODEZPPBLMILW-IYBDPMFKSA-N 2 0 276.424 1.786 20 30 CDEDRP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001072955549 847838676 /nfs/dbraw/zinc/83/86/76/847838676.db2.gz OPWLCSWWTSCNLW-CQSZACIVSA-N 2 0 279.428 1.293 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033414600 847857766 /nfs/dbraw/zinc/85/77/66/847857766.db2.gz CUTBAFIYOPXUBR-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000303908298 847880452 /nfs/dbraw/zinc/88/04/52/847880452.db2.gz XLDXHNMTGHILFW-ZIAGYGMSSA-N 2 0 284.448 1.438 20 30 CDEDRP C[NH+]=C(NCc1ccco1)NC[C@H]1CCC[N@H+](C)C1 ZINC000849005218 848017143 /nfs/dbraw/zinc/01/71/43/848017143.db2.gz FGQKZTJWKUEBMN-GFCCVEGCSA-N 2 0 264.373 1.286 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001566939511 1168475454 /nfs/dbraw/zinc/47/54/54/1168475454.db2.gz DIBRWKQAFXTVMR-GJZGRUSLSA-N 2 0 299.434 1.823 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001106151716 913439594 /nfs/dbraw/zinc/43/95/94/913439594.db2.gz WPXGAZSNRAJJPC-LVQVYYBASA-N 2 0 291.439 1.034 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001106244788 913704041 /nfs/dbraw/zinc/70/40/41/913704041.db2.gz RQUXHEXEZOIWLD-ZIAGYGMSSA-N 2 0 279.428 1.341 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106250047 913716601 /nfs/dbraw/zinc/71/66/01/913716601.db2.gz XDUJOQGYJPMJDG-FVQBIDKESA-N 2 0 291.439 1.034 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209455634 894728578 /nfs/dbraw/zinc/72/85/78/894728578.db2.gz VXVWCZIFARKEDQ-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP CC#CC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001167225376 894907818 /nfs/dbraw/zinc/90/78/18/894907818.db2.gz SWTZCFQVLDPKAS-OAHLLOKOSA-N 2 0 291.439 1.370 20 30 CDEDRP C[N@H+](CCNC(=O)Cc1ncc[nH]1)Cc1ccc(C#N)cc1 ZINC001480928236 897351839 /nfs/dbraw/zinc/35/18/39/897351839.db2.gz VTIOKHHOPRYXAB-UHFFFAOYSA-N 2 0 297.362 1.072 20 30 CDEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176583410 914167367 /nfs/dbraw/zinc/16/73/67/914167367.db2.gz NYGMFDJYKNRMQZ-HNNXBMFYSA-N 2 0 279.428 1.370 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203351632 914172478 /nfs/dbraw/zinc/17/24/78/914172478.db2.gz YFBRNONUSIYTRC-STQMWFEESA-N 2 0 265.401 1.141 20 30 CDEDRP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111949297 898338829 /nfs/dbraw/zinc/33/88/29/898338829.db2.gz XWFGPNPKJHBZDM-RDJZCZTQSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176998528 914423426 /nfs/dbraw/zinc/42/34/26/914423426.db2.gz AQFRNOCBFZSVKB-OAHLLOKOSA-N 2 0 279.428 1.226 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001167784130 900602778 /nfs/dbraw/zinc/60/27/78/900602778.db2.gz NDOLXMSAVPTYKA-UHFFFAOYSA-N 2 0 281.444 1.780 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001270058750 904312838 /nfs/dbraw/zinc/31/28/38/904312838.db2.gz LUVHRNHBULBJMO-HUUCEWRRSA-N 2 0 297.418 1.270 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H]1CC ZINC001087725639 905794349 /nfs/dbraw/zinc/79/43/49/905794349.db2.gz XRDRCNAPAAYKFU-SOUVJXGZSA-N 2 0 277.412 1.073 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001088374434 907026015 /nfs/dbraw/zinc/02/60/15/907026015.db2.gz HIRVEJGOTOAUEZ-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001168145950 907458566 /nfs/dbraw/zinc/45/85/66/907458566.db2.gz BZTJKWLPMBULKV-UHFFFAOYSA-N 2 0 265.401 1.144 20 30 CDEDRP C=C(Cl)CN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001088494138 907496996 /nfs/dbraw/zinc/49/69/96/907496996.db2.gz NIWCAGGSGQZMAQ-AGIUHOORSA-N 2 0 285.819 1.412 20 30 CDEDRP C=CCCC[NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001168162200 907572702 /nfs/dbraw/zinc/57/27/02/907572702.db2.gz GWZZWUANDWUFEE-UHFFFAOYSA-N 2 0 293.455 1.925 20 30 CDEDRP C=CCOCC[NH2+]CCCNC(=O)CC[N@@H+](C)CCC ZINC001171725491 910900461 /nfs/dbraw/zinc/90/04/61/910900461.db2.gz MVOUYLRNEWWGFD-UHFFFAOYSA-N 2 0 285.432 1.017 20 30 CDEDRP C=CCNC(=O)[C@@H]1CC12CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001273029493 921680493 /nfs/dbraw/zinc/68/04/93/921680493.db2.gz HKBVUOCBBVXBRN-HNNXBMFYSA-N 2 0 291.439 1.390 20 30 CDEDRP C[C@H](CCCC#N)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001172503424 911736938 /nfs/dbraw/zinc/73/69/38/911736938.db2.gz AXISWRYRRYMBNX-OAHLLOKOSA-N 2 0 278.444 1.781 20 30 CDEDRP COC(=O)CC[N@H+](CCC[NH+](C)C)[C@H](C)CCCC#N ZINC001172504293 911737769 /nfs/dbraw/zinc/73/77/69/911737769.db2.gz GELDIBMSRHLCLE-CQSZACIVSA-N 2 0 283.416 1.886 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001568152997 1169150237 /nfs/dbraw/zinc/15/02/37/1169150237.db2.gz CWUAZUYQHHWACW-MRXNPFEDSA-N 2 0 291.439 1.466 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001178698199 915589270 /nfs/dbraw/zinc/58/92/70/915589270.db2.gz BJVLJCOLNNELIY-HNNXBMFYSA-N 2 0 281.444 1.779 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001179539295 915880068 /nfs/dbraw/zinc/88/00/68/915880068.db2.gz UTNDMOFKKGBKJD-PMPSAXMXSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001179585727 915913518 /nfs/dbraw/zinc/91/35/18/915913518.db2.gz JWODFUPLNOMFQG-HNNXBMFYSA-N 2 0 281.444 1.780 20 30 CDEDRP CCCCCCNC(=[NH2+])NCCCC[NH+]1CCN(C)CC1 ZINC000303902858 935046948 /nfs/dbraw/zinc/04/69/48/935046948.db2.gz UGEIAXLBRNHOJX-UHFFFAOYSA-N 2 0 297.491 1.499 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)C1(C)CC[NH+](C)CC1 ZINC001181992316 917539068 /nfs/dbraw/zinc/53/90/68/917539068.db2.gz YMKZNWCWTJYNPB-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106982240 917620273 /nfs/dbraw/zinc/62/02/73/917620273.db2.gz FVRUCVOGFZDBLQ-MRVWCRGKSA-N 2 0 299.846 1.375 20 30 CDEDRP N#Cc1ccc(CCC[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001205210449 918945574 /nfs/dbraw/zinc/94/55/74/918945574.db2.gz OGOGAPMXHDKHQP-KRWDZBQOSA-N 2 0 287.407 1.667 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001185062235 919385544 /nfs/dbraw/zinc/38/55/44/919385544.db2.gz RJDMVLQXRUJOCH-HOCLYGCPSA-N 2 0 291.439 1.036 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185266059 919509629 /nfs/dbraw/zinc/50/96/29/919509629.db2.gz YXPJWRMFHVEBPH-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC001186364567 919999693 /nfs/dbraw/zinc/99/96/93/919999693.db2.gz PZIPOIVBZJXYPH-KBPBESRZSA-N 2 0 265.401 1.095 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001188346171 920982090 /nfs/dbraw/zinc/98/20/90/920982090.db2.gz CKJYQZDOCAKINZ-MRXNPFEDSA-N 2 0 291.439 1.466 20 30 CDEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203037098 936711162 /nfs/dbraw/zinc/71/11/62/936711162.db2.gz RLLAPZRIQPPFEL-HUUCEWRRSA-N 2 0 289.423 1.121 20 30 CDEDRP C#CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001190674742 922133111 /nfs/dbraw/zinc/13/31/11/922133111.db2.gz CXCYMAMJMJRFTR-OAHLLOKOSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001098219481 936746449 /nfs/dbraw/zinc/74/64/49/936746449.db2.gz GONYVDVRUYOKGK-JJXSEGSLSA-N 2 0 289.423 1.073 20 30 CDEDRP C=CCCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001192342670 923015885 /nfs/dbraw/zinc/01/58/85/923015885.db2.gz JOLQAHLRNDXYPV-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001193029108 923422665 /nfs/dbraw/zinc/42/26/65/923422665.db2.gz YKEUVRRSQAEZEQ-INIZCTEOSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001193621576 923812716 /nfs/dbraw/zinc/81/27/16/923812716.db2.gz HXKDPBZEJBRDMZ-ZDUSSCGKSA-N 2 0 253.390 1.047 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001080935585 924658389 /nfs/dbraw/zinc/65/83/89/924658389.db2.gz ZZWWIFRCKVBIJQ-RBSFLKMASA-N 2 0 279.428 1.341 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001080998125 924675889 /nfs/dbraw/zinc/67/58/89/924675889.db2.gz TZMCISRWWPVWOQ-BZUAXINKSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001082705726 924986500 /nfs/dbraw/zinc/98/65/00/924986500.db2.gz XRYKFKURDHTVCJ-CBBWQLFWSA-N 2 0 279.428 1.339 20 30 CDEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048848 937039352 /nfs/dbraw/zinc/03/93/52/937039352.db2.gz RALJLNRNNALGDR-BMFZPTHFSA-N 2 0 291.439 1.034 20 30 CDEDRP C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085589353 926196707 /nfs/dbraw/zinc/19/67/07/926196707.db2.gz JXYJNDHKOMIBPC-HOTGVXAUSA-N 2 0 293.455 1.968 20 30 CDEDRP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001085629567 926229631 /nfs/dbraw/zinc/22/96/31/926229631.db2.gz XHXVNTHZYIBLJI-HZPDHXFCSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001085783703 926395110 /nfs/dbraw/zinc/39/51/10/926395110.db2.gz BZPXLKKCAAFKKI-JYJNAYRXSA-N 2 0 291.439 1.273 20 30 CDEDRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C#Cc1ccccc1 ZINC001142863877 937082481 /nfs/dbraw/zinc/08/24/81/937082481.db2.gz DJZGFHZQHUCFCT-UHFFFAOYSA-N 2 0 286.379 1.102 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001086102395 926706353 /nfs/dbraw/zinc/70/63/53/926706353.db2.gz UYDHMPRWZMIXPY-ZNMIVQPWSA-N 2 0 279.428 1.531 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086175316 926790728 /nfs/dbraw/zinc/79/07/28/926790728.db2.gz QQEZQIASNPIWJD-OAGGEKHMSA-N 2 0 291.439 1.226 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086217065 926839940 /nfs/dbraw/zinc/83/99/40/926839940.db2.gz MGAGIIACOPBOAV-OWCLPIDISA-N 2 0 293.455 1.920 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001086324656 926994418 /nfs/dbraw/zinc/99/44/18/926994418.db2.gz HYSMIYJKVHHKBV-IHRRRGAJSA-N 2 0 265.401 1.141 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CC)C2 ZINC001108790830 928635859 /nfs/dbraw/zinc/63/58/59/928635859.db2.gz KGGUMNHSTUMOIO-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001202502523 929105413 /nfs/dbraw/zinc/10/54/13/929105413.db2.gz DJXCBMMKCISWEY-ZFWWWQNUSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+](CC)CC)C2 ZINC001112548447 929155047 /nfs/dbraw/zinc/15/50/47/929155047.db2.gz ZRMKIJHQFPEZIW-RDJZCZTQSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C[C@@](C)(O)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001252571713 929448039 /nfs/dbraw/zinc/44/80/39/929448039.db2.gz JKTHUBBORDSAST-MRXNPFEDSA-N 2 0 278.396 1.654 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583804 929798033 /nfs/dbraw/zinc/79/80/33/929798033.db2.gz ORTFRNKVSVKWFJ-KGLIPLIRSA-N 2 0 281.444 1.920 20 30 CDEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135180649 930086591 /nfs/dbraw/zinc/08/65/91/930086591.db2.gz ITDONQZVWBQHLW-HUUCEWRRSA-N 2 0 293.455 1.757 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299337 930136407 /nfs/dbraw/zinc/13/64/07/930136407.db2.gz WENWRYSONOYJJA-QWHCGFSZSA-N 2 0 267.417 1.387 20 30 CDEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135308008 930139218 /nfs/dbraw/zinc/13/92/18/930139218.db2.gz MQAPPKNLOSVECI-OLZOCXBDSA-N 2 0 291.395 1.461 20 30 CDEDRP C#CCN(C)CCC[NH2+]Cc1ccc(N(C)CC)nc1 ZINC000883131343 930146870 /nfs/dbraw/zinc/14/68/70/930146870.db2.gz XALOXYDMKBWXJL-UHFFFAOYSA-N 2 0 274.412 1.582 20 30 CDEDRP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135372906 930174666 /nfs/dbraw/zinc/17/46/66/930174666.db2.gz UEVWCSCGAXEHAM-KGLIPLIRSA-N 2 0 269.433 1.777 20 30 CDEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135375255 930176748 /nfs/dbraw/zinc/17/67/48/930176748.db2.gz KJXPGYOZABSTHF-CHWSQXEVSA-N 2 0 255.406 1.387 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135688399 930361402 /nfs/dbraw/zinc/36/14/02/930361402.db2.gz OLZPODYCYVMHCS-UHFFFAOYSA-N 2 0 267.417 1.390 20 30 CDEDRP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135746072 930393735 /nfs/dbraw/zinc/39/37/35/930393735.db2.gz CVAGPAHKHJNPNZ-CABCVRRESA-N 2 0 299.459 1.404 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767880 930399887 /nfs/dbraw/zinc/39/98/87/930399887.db2.gz JLNATRNOROYRHJ-LSDHHAIUSA-N 2 0 281.444 1.777 20 30 CDEDRP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135922949 930540922 /nfs/dbraw/zinc/54/09/22/930540922.db2.gz DQCFAXULQKCTAW-CABCVRRESA-N 2 0 299.459 1.404 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135934554 930548490 /nfs/dbraw/zinc/54/84/90/930548490.db2.gz KMBQRJFMVCBDES-STQMWFEESA-N 2 0 290.411 1.820 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938879 930551213 /nfs/dbraw/zinc/55/12/13/930551213.db2.gz PXJSPFBGGLXZST-OLZOCXBDSA-N 2 0 299.846 1.708 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)CCC[NH+](CCC)CCC ZINC001170876693 930599018 /nfs/dbraw/zinc/59/90/18/930599018.db2.gz LZBMCTDSFQUVLS-UHFFFAOYSA-N 2 0 281.444 1.618 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000843842407 931510783 /nfs/dbraw/zinc/51/07/83/931510783.db2.gz RAFDKQYDHGAQBB-CYBMUJFWSA-N 2 0 267.417 1.293 20 30 CDEDRP C=CCCC[NH+]1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001274964643 931617509 /nfs/dbraw/zinc/61/75/09/931617509.db2.gz SAYFUXRYBFRRDT-UHFFFAOYSA-N 2 0 251.418 1.522 20 30 CDEDRP C=CCCC[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001274964138 931617807 /nfs/dbraw/zinc/61/78/07/931617807.db2.gz AJIACCHZWGCXPL-LSDHHAIUSA-N 2 0 251.418 1.520 20 30 CDEDRP C=CCCCC[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001274975011 931621565 /nfs/dbraw/zinc/62/15/65/931621565.db2.gz UFXKFKBVZHBWOQ-JKSUJKDBSA-N 2 0 265.445 1.910 20 30 CDEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@]1(CN)CN2CCC1CC2 ZINC001171191944 931847626 /nfs/dbraw/zinc/84/76/26/931847626.db2.gz IULWHZBJCOOEJL-KDOFPFPSSA-N 2 0 298.434 1.502 20 30 CDEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147834519 932615406 /nfs/dbraw/zinc/61/54/06/932615406.db2.gz LCZGQHSHSJAAGD-HUUCEWRRSA-N 2 0 297.443 1.015 20 30 CDEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001095499021 932627572 /nfs/dbraw/zinc/62/75/72/932627572.db2.gz NFOGTJADRYTUGG-UGUYLWEFSA-N 2 0 291.439 1.768 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051793 932642415 /nfs/dbraw/zinc/64/24/15/932642415.db2.gz WBUGVOWPRZURHJ-UHFFFAOYSA-N 2 0 276.384 1.433 20 30 CDEDRP C#CC[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148839252 932796767 /nfs/dbraw/zinc/79/67/67/932796767.db2.gz OIXFPPYAVNYUQA-UHFFFAOYSA-N 2 0 289.423 1.030 20 30 CDEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155255057 937653919 /nfs/dbraw/zinc/65/39/19/937653919.db2.gz IMNUGRYOBQZPIR-LSDHHAIUSA-N 2 0 279.428 1.178 20 30 CDEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001096012762 935880198 /nfs/dbraw/zinc/88/01/98/935880198.db2.gz YLPAFKNMLGDAFN-FZKCQIBNSA-N 2 0 289.423 1.216 20 30 CDEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001156057737 938315747 /nfs/dbraw/zinc/31/57/47/938315747.db2.gz CSXNLVJILUNDNC-CQSZACIVSA-N 2 0 297.443 1.110 20 30 CDEDRP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)CCC ZINC001156525727 938378748 /nfs/dbraw/zinc/37/87/48/938378748.db2.gz WMCIBCURYRAONM-CQSZACIVSA-N 2 0 269.433 1.731 20 30 CDEDRP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001159628788 938742231 /nfs/dbraw/zinc/74/22/31/938742231.db2.gz QJFQZLMSYBXBEE-INIZCTEOSA-N 2 0 291.439 1.795 20 30 CDEDRP C[Si](C)(C)C#Cc1cccnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159786528 938753002 /nfs/dbraw/zinc/75/30/02/938753002.db2.gz CSUWHDDETLLYSC-CYBMUJFWSA-N 2 0 276.460 1.746 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160866733 938834609 /nfs/dbraw/zinc/83/46/09/938834609.db2.gz BRVDMKQARZEAMJ-HUUCEWRRSA-N 2 0 279.428 1.675 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161042128 938863142 /nfs/dbraw/zinc/86/31/42/938863142.db2.gz ORIAFCDIAKEWHR-LSDHHAIUSA-N 2 0 281.444 1.921 20 30 CDEDRP N#Cc1cc(F)cnc1NCCC[NH2+]CCCC[NH3+] ZINC001162290363 938972385 /nfs/dbraw/zinc/97/23/85/938972385.db2.gz QPEUKAKYJZVTBD-UHFFFAOYSA-N 2 0 265.336 1.223 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001163822156 939338188 /nfs/dbraw/zinc/33/81/88/939338188.db2.gz TYUDELDZEFJTAR-CQSZACIVSA-N 2 0 279.428 1.533 20 30 CDEDRP CN(C)/C=[NH+]/c1ccc(N2CC[C@H]([NH3+])C2)cc1C#N ZINC001164285968 939446637 /nfs/dbraw/zinc/44/66/37/939446637.db2.gz BWDQNFYCRUPNNL-VAKHEIKFSA-N 2 0 257.341 1.317 20 30 CDEDRP C=CCC[NH2+]CC1(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001165464870 939566581 /nfs/dbraw/zinc/56/65/81/939566581.db2.gz NUVVJQWHPHBKMK-UHFFFAOYSA-N 2 0 293.455 1.923 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203715071 939701611 /nfs/dbraw/zinc/70/16/11/939701611.db2.gz ZPEXYWJXKWWGES-UHFFFAOYSA-N 2 0 265.401 1.239 20 30 CDEDRP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203729244 939701988 /nfs/dbraw/zinc/70/19/88/939701988.db2.gz FAOGBEDLCXLONS-CABCVRRESA-N 2 0 289.423 1.123 20 30 CDEDRP N#Cc1cc(F)cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205229563 939839548 /nfs/dbraw/zinc/83/95/48/939839548.db2.gz NQUQAWLBGFJSEH-OAHLLOKOSA-N 2 0 277.343 1.373 20 30 CDEDRP C=CCN(CC[N@@H+]1CCC[C@@](C)([NH3+])CC1)C(=O)OCC ZINC001205256112 939843352 /nfs/dbraw/zinc/84/33/52/939843352.db2.gz NGRBJHPXBSQARW-OAHLLOKOSA-N 2 0 283.416 1.834 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001206954320 940117271 /nfs/dbraw/zinc/11/72/71/940117271.db2.gz DJBLDBQFUYUFMF-UHFFFAOYSA-N 2 0 279.428 1.178 20 30 CDEDRP C[NH+]1CCN(c2cc[nH+]cc2Nc2cncc(C#N)c2)CC1 ZINC001210084620 940662053 /nfs/dbraw/zinc/66/20/53/940662053.db2.gz NSZBUYLMLKQXQY-UHFFFAOYSA-N 2 0 294.362 1.844 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210421108 940690041 /nfs/dbraw/zinc/69/00/41/940690041.db2.gz MHDOREYQNBXDED-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210482485 940693440 /nfs/dbraw/zinc/69/34/40/940693440.db2.gz NUHCLKJCULJCAC-ZDUSSCGKSA-N 2 0 253.390 1.095 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210783344 940712168 /nfs/dbraw/zinc/71/21/68/940712168.db2.gz RZNZZBFSGHXUAI-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001215298703 940871145 /nfs/dbraw/zinc/87/11/45/940871145.db2.gz DGVNOAOGSASPDB-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000402166887 940889956 /nfs/dbraw/zinc/88/99/56/940889956.db2.gz RYKJIEUNPJRSBW-CABCVRRESA-N 2 0 259.353 1.262 20 30 CDEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1cccc(CC#N)c1 ZINC001218987141 941297532 /nfs/dbraw/zinc/29/75/32/941297532.db2.gz CWWPUAPFMMVDNC-HNNXBMFYSA-N 2 0 288.395 1.750 20 30 CDEDRP CC#CC[NH+]1CCC(CNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001223472973 941680134 /nfs/dbraw/zinc/68/01/34/941680134.db2.gz ZFVFGJBJNLFOAK-INIZCTEOSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001224252869 941734285 /nfs/dbraw/zinc/73/42/85/941734285.db2.gz BONHZWIQYSUXDT-UHFFFAOYSA-N 2 0 279.428 1.342 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001227797899 942226747 /nfs/dbraw/zinc/22/67/47/942226747.db2.gz OVLIXXPEAIQZOZ-MRXNPFEDSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001229692705 942513302 /nfs/dbraw/zinc/51/33/02/942513302.db2.gz JYQGHDVVZUDJOO-BZUAXINKSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001281956753 942636664 /nfs/dbraw/zinc/63/66/64/942636664.db2.gz KRNGKRCUPIOWLC-KGLIPLIRSA-N 2 0 267.417 1.435 20 30 CDEDRP C=CC[NH2+]CCN1CC(F)(F)CC12CC[NH2+]CC2 ZINC001235133208 944068928 /nfs/dbraw/zinc/06/89/28/944068928.db2.gz OFSJRTDAGIYRKJ-UHFFFAOYSA-N 2 0 259.344 1.225 20 30 CDEDRP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](CCCC[NH3+])C2 ZINC001235521414 944185551 /nfs/dbraw/zinc/18/55/51/944185551.db2.gz HFJQOBJQQAWXGG-HZPDHXFCSA-N 2 0 282.428 1.799 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001265435514 944387545 /nfs/dbraw/zinc/38/75/45/944387545.db2.gz IJPRWIVVJPZVEC-GJZGRUSLSA-N 2 0 281.444 1.729 20 30 CDEDRP N#Cc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236317499 944467436 /nfs/dbraw/zinc/46/74/36/944467436.db2.gz YJKOQPFAGNNGIF-IYBDPMFKSA-N 2 0 255.365 1.990 20 30 CDEDRP N#Cc1c(C=C2CC[NH2+]CC2)ncc2c1CCC[NH2+]C2 ZINC001240872695 946077273 /nfs/dbraw/zinc/07/72/73/946077273.db2.gz FYROBXKAPSAHGB-UHFFFAOYSA-N 2 0 268.364 1.756 20 30 CDEDRP N#Cc1c2c(cnc1C1=C[C@H]3CC[C@@H](C1)[NH2+]3)C[NH2+]CCC2 ZINC001242019907 946558339 /nfs/dbraw/zinc/55/83/39/946558339.db2.gz NENCVPPFKCMWRM-KGLIPLIRSA-N 2 0 280.375 1.897 20 30 CDEDRP C=CCCCCCC[C@@H](O)CN1CCN2CC[NH2+]C[C@@H]2C1 ZINC001246029646 947909786 /nfs/dbraw/zinc/90/97/86/947909786.db2.gz RPCHHXPCKWVNPU-IAGOWNOFSA-N 2 0 295.471 1.463 20 30 CDEDRP C=CCCCCCC[C@H](O)CN1CCN2CC[NH2+]C[C@@H]2C1 ZINC001246029648 947910953 /nfs/dbraw/zinc/91/09/53/947910953.db2.gz RPCHHXPCKWVNPU-SJORKVTESA-N 2 0 295.471 1.463 20 30 CDEDRP N#C[C@@H]1CCC[N@@H+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256697542 948402990 /nfs/dbraw/zinc/40/29/90/948402990.db2.gz FGPSZMJMVPNDRP-FHERZECASA-N 2 0 277.412 1.865 20 30 CDEDRP C=CCOCc1nn([C@H]2CC[C@H](C)[NH2+]C2)c2c1C[NH2+]C2 ZINC001246705150 948410746 /nfs/dbraw/zinc/41/07/46/948410746.db2.gz XEIMEPFVFMMXTM-RYUDHWBXSA-N 2 0 276.384 1.502 20 30 CDEDRP CCCCCCC[N@H+](C)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246780735 948436098 /nfs/dbraw/zinc/43/60/98/948436098.db2.gz WKJMIMWNFQSRLN-CQSZACIVSA-N 2 0 253.434 1.983 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001367754793 958302670 /nfs/dbraw/zinc/30/26/70/958302670.db2.gz ZYLCPNBYDHBUFG-NSHDSACASA-N 2 0 273.808 1.175 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC001340351159 962903196 /nfs/dbraw/zinc/90/31/96/962903196.db2.gz NHMCEYCKFKSOOL-ZIAGYGMSSA-N 2 0 267.417 1.613 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001343303364 963947079 /nfs/dbraw/zinc/94/70/79/963947079.db2.gz WGMIQNKOLOQZOD-STQMWFEESA-N 2 0 253.390 1.271 20 30 CDEDRP C=C(Cl)CN(C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001442583331 965124607 /nfs/dbraw/zinc/12/46/07/965124607.db2.gz ZFMUBAZOKLUZEO-LBPRGKRZSA-N 2 0 275.824 1.373 20 30 CDEDRP C#CC[NH2+]CC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001353571928 968077775 /nfs/dbraw/zinc/07/77/75/968077775.db2.gz RRZYUYXFMMIEST-CQSZACIVSA-N 2 0 293.798 1.282 20 30 CDEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001100407879 968265300 /nfs/dbraw/zinc/26/53/00/968265300.db2.gz NAJZKINJMOTMNM-BCLQGDPASA-N 2 0 293.455 1.777 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCCO1 ZINC001200796521 968922528 /nfs/dbraw/zinc/92/25/28/968922528.db2.gz ZMEURLJAMYSBFH-HUUCEWRRSA-N 2 0 297.443 1.110 20 30 CDEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001200850499 969015115 /nfs/dbraw/zinc/01/51/15/969015115.db2.gz MAFQVPRBAOAFPA-AWEZNQCLSA-N 2 0 285.407 1.433 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC001357491377 969607710 /nfs/dbraw/zinc/60/77/10/969607710.db2.gz XDVVVTDSMCDYET-HIFRSBDPSA-N 2 0 281.444 1.859 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1cnc[nH]1 ZINC001378813706 975500021 /nfs/dbraw/zinc/50/00/21/975500021.db2.gz AIPPOSCUWWVCCI-SNVBAGLBSA-N 2 0 270.764 1.141 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001399015798 976287422 /nfs/dbraw/zinc/28/74/22/976287422.db2.gz GNBWXWIXIKMYGT-NSHDSACASA-N 2 0 273.808 1.175 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001402593457 976381537 /nfs/dbraw/zinc/38/15/37/976381537.db2.gz RZHREIUPXPPIIZ-GFCCVEGCSA-N 2 0 285.819 1.319 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001390601741 976384556 /nfs/dbraw/zinc/38/45/56/976384556.db2.gz VEVUCDIMTPREEN-ZDUSSCGKSA-N 2 0 287.835 1.519 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001381204684 976717054 /nfs/dbraw/zinc/71/70/54/976717054.db2.gz ZJDZDRNAYCBHHK-ZDUSSCGKSA-N 2 0 299.846 1.852 20 30 CDEDRP CC#CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001132437338 1163289840 /nfs/dbraw/zinc/28/98/40/1163289840.db2.gz RXTALHXYSBCGGA-JKSUJKDBSA-N 2 0 293.455 1.711 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133090100 1163567899 /nfs/dbraw/zinc/56/78/99/1163567899.db2.gz BOKWIARXCJYXAY-GJZGRUSLSA-N 2 0 279.428 1.036 20 30 CDEDRP C=CC1(CC(=O)NCCC[N@@H+](C)CC(C)C)C[NH2+]C1 ZINC001574880643 1171035489 /nfs/dbraw/zinc/03/54/89/1171035489.db2.gz XGOGWISMZQILTA-UHFFFAOYSA-N 2 0 267.417 1.246 20 30 CDEDRP C[N@H+](CCCCCC[NH3+])[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC001578465670 1171926027 /nfs/dbraw/zinc/92/60/27/1171926027.db2.gz IIARGKNSSCYQMG-HNNXBMFYSA-N 2 0 288.395 1.536 20 30 CDEDRP C[NH+](C)C[C@H]1CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595318867 343034867 /nfs/dbraw/zinc/03/48/67/343034867.db2.gz OBVVVLBMXJMUPO-MRXNPFEDSA-N 2 0 257.381 1.984 20 30 CDEDRP C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1=CC[N@H+](C)CC1 ZINC000598724033 343885297 /nfs/dbraw/zinc/88/52/97/343885297.db2.gz LGXYCVBHLWBYEJ-JSGCOSHPSA-N 2 0 265.401 1.527 20 30 CDEDRP CC(C)[C@H](C[NH2+]C[C@H](C)CCC#N)N1CC[NH+](C)CC1 ZINC000602508355 344457830 /nfs/dbraw/zinc/45/78/30/344457830.db2.gz BIOXDOUTRMIRGV-CVEARBPZSA-N 2 0 280.460 1.788 20 30 CDEDRP CC[C@@H](CNC(NCc1ccco1)=[NH+]C)[NH+]1CCCC1 ZINC000264050918 362952401 /nfs/dbraw/zinc/95/24/01/362952401.db2.gz MJSMRTWYSRFTNZ-ZDUSSCGKSA-N 2 0 278.400 1.819 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cccnc1 ZINC000264076567 362959035 /nfs/dbraw/zinc/95/90/35/362959035.db2.gz HNWYYPMFBZRJFY-CQSZACIVSA-N 2 0 275.400 1.013 20 30 CDEDRP COCCNC(=[NH2+])NCc1ccccc1C[N@H+](C)C(C)C ZINC000264107354 362969628 /nfs/dbraw/zinc/96/96/28/362969628.db2.gz OBEIRRFRKPWUCK-UHFFFAOYSA-N 2 0 292.427 1.578 20 30 CDEDRP C=CCN1CC[C@@H](N2CC[C@@H](C[NH+](CC)CC)C2)C1=O ZINC000337172001 360007843 /nfs/dbraw/zinc/00/78/43/360007843.db2.gz GHQWXDXSXIMISY-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCC[C@@H](O)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000156975015 360723612 /nfs/dbraw/zinc/72/36/12/360723612.db2.gz CMXQIJXZZBEFEN-HZPDHXFCSA-N 2 0 281.444 1.025 20 30 CDEDRP C=CCC[C@H](O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000245947662 360772577 /nfs/dbraw/zinc/77/25/77/360772577.db2.gz BREHVUSXCXTUNC-INIZCTEOSA-N 2 0 283.460 1.271 20 30 CDEDRP CN(CCC#N)C(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375760556 364726649 /nfs/dbraw/zinc/72/66/49/364726649.db2.gz FZUCCPCGPQXMGA-YIONKMFJSA-N 2 0 292.427 1.306 20 30 CDEDRP COc1ccccc1CNC(=[NH2+])NC[C@@H](C)[N@H+](C)C1CC1 ZINC000170914799 365164185 /nfs/dbraw/zinc/16/41/85/365164185.db2.gz IFCUROUPMZLAKC-GFCCVEGCSA-N 2 0 290.411 1.582 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C)C[NH+](CC)CC)CC1 ZINC000358810018 367906511 /nfs/dbraw/zinc/90/65/11/367906511.db2.gz IFWKJEHCDBNIHN-CQSZACIVSA-N 2 0 296.459 1.666 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[NH+]2CCCCC2)CC1 ZINC000065412482 368295093 /nfs/dbraw/zinc/29/50/93/368295093.db2.gz LDDJLOHPPCFGTC-UHFFFAOYSA-N 2 0 277.412 1.774 20 30 CDEDRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(C#N)CC2)CC1 ZINC000191465713 373494148 /nfs/dbraw/zinc/49/41/48/373494148.db2.gz RGJIZZFZPRVNHA-UHFFFAOYSA-N 2 0 278.444 1.638 20 30 CDEDRP C[N@H+](C[C@@H](O)CNCc1ccc(C#N)c(F)c1)C1CC1 ZINC000404116846 374146201 /nfs/dbraw/zinc/14/62/01/374146201.db2.gz GDNOQPDPZMKPLI-AWEZNQCLSA-N 2 0 277.343 1.242 20 30 CDEDRP C=CCC[C@@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000132339059 375503860 /nfs/dbraw/zinc/50/38/60/375503860.db2.gz HSGSZCIMELVRMW-HUUCEWRRSA-N 2 0 254.418 1.977 20 30 CDEDRP C=C[C@H](CO)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000289873335 378351259 /nfs/dbraw/zinc/35/12/59/378351259.db2.gz RPKWUOOTQMEBQS-UKRRQHHQSA-N 2 0 278.396 1.825 20 30 CDEDRP C[NH+](C)CCOc1cccc(CNC(=[NH2+])NC(C)(C)C)c1 ZINC000104163117 390485845 /nfs/dbraw/zinc/48/58/45/390485845.db2.gz BAZXUEJPMGRJKR-UHFFFAOYSA-N 2 0 292.427 1.830 20 30 CDEDRP C[N@H+](CCCN1CC[NH+](C)CC1)CCC(C)(C)C#N ZINC000119679591 390563426 /nfs/dbraw/zinc/56/34/26/390563426.db2.gz DHPSVDIOIUEWHW-UHFFFAOYSA-N 2 0 266.433 1.496 20 30 CDEDRP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350953515 391013811 /nfs/dbraw/zinc/01/38/11/391013811.db2.gz WKPUKEQXFPFKMH-HNNXBMFYSA-N 2 0 293.455 1.849 20 30 CDEDRP C#CC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000373076845 391104686 /nfs/dbraw/zinc/10/46/86/391104686.db2.gz WPBLXWSTAZGGMG-ZIAGYGMSSA-N 2 0 250.386 1.441 20 30 CDEDRP CC1CCN(C(=[NH2+])NCC2([NH+](C)C)CCOCC2)CC1 ZINC000304006707 391149843 /nfs/dbraw/zinc/14/98/43/391149843.db2.gz NWRBYAWRMPZFCW-UHFFFAOYSA-N 2 0 282.432 1.144 20 30 CDEDRP C[C@H]1C[NH+]=C(NCC2CCN(c3cc[nH+]cc3)CC2)N1 ZINC000262665297 391809340 /nfs/dbraw/zinc/80/93/40/391809340.db2.gz OKLFCWHOLNAKFW-LBPRGKRZSA-N 2 0 273.384 1.235 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000262690841 131251768 /nfs/dbraw/zinc/25/17/68/131251768.db2.gz ZKETVNLKVABJOF-OWCLPIDISA-N 2 0 293.455 1.929 20 30 CDEDRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(C#N)c1 ZINC000423185840 397602460 /nfs/dbraw/zinc/60/24/60/397602460.db2.gz NRIUPMVSFYHPPT-CQSZACIVSA-N 2 0 272.396 1.504 20 30 CDEDRP C[C@@H]1C[NH+]=C(NCc2ccc(C[NH+]3CCCC3)cc2)N1 ZINC000262665708 262781696 /nfs/dbraw/zinc/78/16/96/262781696.db2.gz ONVGLEDQKWQRLW-CYBMUJFWSA-N 2 0 272.396 1.720 20 30 CDEDRP CN(C(=[NH2+])NCc1ccccc1OCC[NH+](C)C)C1CC1 ZINC000273316279 263015477 /nfs/dbraw/zinc/01/54/77/263015477.db2.gz DLEQFISJFSRYTA-UHFFFAOYSA-N 2 0 290.411 1.536 20 30 CDEDRP C=CCOc1ccc(C[NH2+]C[C@H](C)C[NH3+])cc1OC ZINC000414892053 263102569 /nfs/dbraw/zinc/10/25/69/263102569.db2.gz WSVAIFIBJOFSHO-GFCCVEGCSA-N 2 0 264.369 1.944 20 30 CDEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290786 423920336 /nfs/dbraw/zinc/92/03/36/423920336.db2.gz KKRJTRHPGLTKHN-UKRRQHHQSA-N 2 0 279.428 1.389 20 30 CDEDRP C[NH+]1CCN(CCC[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000093492190 265182360 /nfs/dbraw/zinc/18/23/60/265182360.db2.gz PXTUTPRLEUVMPD-UHFFFAOYSA-N 2 0 278.425 1.347 20 30 CDEDRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000192828402 289153025 /nfs/dbraw/zinc/15/30/25/289153025.db2.gz CSVQVHIHVZHBAG-SJORKVTESA-N 2 0 292.471 1.932 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000358777468 328894479 /nfs/dbraw/zinc/89/44/79/328894479.db2.gz JJJSEVADHCMJRN-UHFFFAOYSA-N 2 0 294.443 1.422 20 30 CDEDRP CNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000172838238 329139217 /nfs/dbraw/zinc/13/92/17/329139217.db2.gz MRZKVRAHCQLEDS-JQWIXIFHSA-N 2 0 266.414 1.665 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@]2(CC)CCC[NH2+]2)CC1 ZINC000134596534 329659786 /nfs/dbraw/zinc/65/97/86/329659786.db2.gz ILRVJADZJVUDIE-HNNXBMFYSA-N 2 0 265.401 1.285 20 30 CDEDRP C[NH+]=C(NCC1(C)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262343784 330007307 /nfs/dbraw/zinc/00/73/07/330007307.db2.gz CZCZMLCGCDXSSX-CQSZACIVSA-N 2 0 278.444 1.780 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000262432009 330010286 /nfs/dbraw/zinc/01/02/86/330010286.db2.gz SPAYPZHXLJWMHL-RYUDHWBXSA-N 2 0 270.446 1.271 20 30 CDEDRP CC1(C)CCC[N@H+](CCNC(=[NH2+])N2CCSCC2)C1 ZINC000262882713 330036044 /nfs/dbraw/zinc/03/60/44/330036044.db2.gz FRZCHFIWLIFWNY-UHFFFAOYSA-N 2 0 284.473 1.472 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@]1(C)C(C)C ZINC000263072300 330042189 /nfs/dbraw/zinc/04/21/89/330042189.db2.gz GWFZXJUUICTGOW-IPYPFGDCSA-N 2 0 266.433 1.810 20 30 CDEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH+]CC)N2CCCC2)C1 ZINC000263248162 330050622 /nfs/dbraw/zinc/05/06/22/330050622.db2.gz NVRCUXWJPHDNGJ-CQSZACIVSA-N 2 0 266.433 1.780 20 30 CDEDRP C=CC[C@H](CO)C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423014524 330165264 /nfs/dbraw/zinc/16/52/64/330165264.db2.gz INKBBMKFSAULPX-KBMXLJTQSA-N 2 0 262.397 1.719 20 30 CDEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000424078848 330221384 /nfs/dbraw/zinc/22/13/84/330221384.db2.gz QKQPQSKBSRMELT-OLZOCXBDSA-N 2 0 266.389 1.031 20 30 CDEDRP CC[NH+](CC)CC1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424132421 330264939 /nfs/dbraw/zinc/26/49/39/330264939.db2.gz KNCHYRYKRBJBJN-HNNXBMFYSA-N 2 0 294.443 1.588 20 30 CDEDRP CC[NH+]1CCC(CCNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424136250 330272342 /nfs/dbraw/zinc/27/23/42/330272342.db2.gz AEXJLJDARPASRM-CQSZACIVSA-N 2 0 280.416 1.246 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000424139302 330278984 /nfs/dbraw/zinc/27/89/84/330278984.db2.gz ADLXGOGTNNLASA-KGLIPLIRSA-N 2 0 278.400 1.094 20 30 CDEDRP C[C@@H]1CCC[C@@](CNC(=O)[C@H]([NH3+])CCCC#N)([NH+](C)C)C1 ZINC000424164193 330308224 /nfs/dbraw/zinc/30/82/24/330308224.db2.gz YMADJSPKQRKGNG-IIAWOOMASA-N 2 0 294.443 1.634 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc2c[nH+]cn2c1 ZINC000491393711 332203554 /nfs/dbraw/zinc/20/35/54/332203554.db2.gz JPCAKKQUIIYBMU-OAHLLOKOSA-N 2 0 283.331 1.589 20 30 CDEDRP C#CC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000491692039 332288536 /nfs/dbraw/zinc/28/85/36/332288536.db2.gz HPKIWWXIDNGPEX-CABCVRRESA-N 2 0 294.443 1.066 20 30 CDEDRP C=CCC[NH2+]CC[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001754920214 1159488381 /nfs/dbraw/zinc/48/83/81/1159488381.db2.gz XBDXLIPULUDOJC-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001752766409 1160204605 /nfs/dbraw/zinc/20/46/05/1160204605.db2.gz ITGSTOAXSUINPV-QXSJWSMHSA-N 2 0 289.423 1.263 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000669465265 483172972 /nfs/dbraw/zinc/17/29/72/483172972.db2.gz OEUQCXGGVLGVMQ-DZGCQCFKSA-N 2 0 292.427 1.030 20 30 CDEDRP C#CCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000764230525 575893809 /nfs/dbraw/zinc/89/38/09/575893809.db2.gz BSZRYDDMTHEWGK-IYBDPMFKSA-N 2 0 263.429 1.500 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000766107982 576078622 /nfs/dbraw/zinc/07/86/22/576078622.db2.gz JUQRVNUGJCAFEM-XHSDSOJGSA-N 2 0 289.423 1.027 20 30 CDEDRP CC(C)[N@H+]1CC(=NNCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000754258206 576888399 /nfs/dbraw/zinc/88/83/99/576888399.db2.gz IZFMQBSMQKIQRG-CQSZACIVSA-N 2 0 266.433 1.778 20 30 CDEDRP C#CCC[N@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000981622170 613006058 /nfs/dbraw/zinc/00/60/58/613006058.db2.gz QFHBTPHWZZCRMH-UHFFFAOYSA-N 2 0 296.374 1.506 20 30 CDEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000975045037 613031308 /nfs/dbraw/zinc/03/13/08/613031308.db2.gz YHZFLBRHBGPEMD-HUUCEWRRSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000970318243 613117585 /nfs/dbraw/zinc/11/75/85/613117585.db2.gz NAAJHLXFGCCTJQ-CABCVRRESA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000951198402 613257773 /nfs/dbraw/zinc/25/77/73/613257773.db2.gz CFKGKIZVAAWFHR-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000950510755 613259219 /nfs/dbraw/zinc/25/92/19/613259219.db2.gz XPODHDSQDRDDJT-HUUCEWRRSA-N 2 0 279.428 1.295 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971201496 613289782 /nfs/dbraw/zinc/28/97/82/613289782.db2.gz OKYDBNJBWOFABT-KBPBESRZSA-N 2 0 265.401 1.189 20 30 CDEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000970747188 613298726 /nfs/dbraw/zinc/29/87/26/613298726.db2.gz TYMXGJZEHUEFFT-CYBMUJFWSA-N 2 0 277.412 1.095 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944171089 613334778 /nfs/dbraw/zinc/33/47/78/613334778.db2.gz WFMPMJDDSDWCNK-GJZGRUSLSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000969969922 613482652 /nfs/dbraw/zinc/48/26/52/613482652.db2.gz QFBVDXRBVZSASC-HIFRSBDPSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980485670 613631597 /nfs/dbraw/zinc/63/15/97/613631597.db2.gz KTYONHTWTRANBZ-HOTGVXAUSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CC[NH+]1CC([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000969950096 613668128 /nfs/dbraw/zinc/66/81/28/613668128.db2.gz SGMGJIJMOFHJDI-AWEZNQCLSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH+]1CC([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000970064031 613672410 /nfs/dbraw/zinc/67/24/10/613672410.db2.gz AMMWPKZQYUAFTN-LBPRGKRZSA-N 2 0 284.363 1.570 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942721038 613781502 /nfs/dbraw/zinc/78/15/02/613781502.db2.gz KRKOUDPURMHJHO-GJZGRUSLSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+]C1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000964184421 613859388 /nfs/dbraw/zinc/85/93/88/613859388.db2.gz CWWIWYFJKKYHLF-FHERZECASA-N 2 0 293.455 1.873 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000911656538 629402665 /nfs/dbraw/zinc/40/26/65/629402665.db2.gz QACGHIXBVJVYRN-AWEZNQCLSA-N 2 0 269.433 1.886 20 30 CDEDRP N#Cc1ccc(OCCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000916739686 632069539 /nfs/dbraw/zinc/06/95/39/632069539.db2.gz GTOACWWXODCPLW-HUUCEWRRSA-N 2 0 271.364 1.478 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@H]1CCc2nc(C)[nH]c2C1 ZINC001130490711 1162638734 /nfs/dbraw/zinc/63/87/34/1162638734.db2.gz GENFODIEDHEVHE-GFCCVEGCSA-N 2 0 276.384 1.105 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001088898947 1161038112 /nfs/dbraw/zinc/03/81/12/1161038112.db2.gz CZSOLUMOECKLFJ-ZBFHGGJFSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132248183 1163210807 /nfs/dbraw/zinc/21/08/07/1163210807.db2.gz CRBJARMAVIAXDZ-CABCVRRESA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132423892 1163277061 /nfs/dbraw/zinc/27/70/61/1163277061.db2.gz CPUIQZKWAJJMRK-LSDHHAIUSA-N 2 0 297.443 1.110 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001133183373 1163599115 /nfs/dbraw/zinc/59/91/15/1163599115.db2.gz ZMACWHLFPOZVKW-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C(#Cc1ccccc1)C[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC001574766520 1171007183 /nfs/dbraw/zinc/00/71/83/1171007183.db2.gz RSXZATUSKGBSLZ-UHFFFAOYSA-N 2 0 270.376 1.493 20 30 CDEDRP C=CC1(CC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C[NH2+]C1 ZINC001574880197 1171035260 /nfs/dbraw/zinc/03/52/60/1171035260.db2.gz KEMPNKYYJZKAHN-CQSZACIVSA-N 2 0 277.412 1.239 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001690484343 1175479558 /nfs/dbraw/zinc/47/95/58/1175479558.db2.gz PIUXNIOAIINCOL-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001723096823 1181518488 /nfs/dbraw/zinc/51/84/88/1181518488.db2.gz STDQJUJOPBKKQP-ZDUSSCGKSA-N 2 0 253.390 1.095 20 30 CDEDRP C=CCC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001753451126 1184543611 /nfs/dbraw/zinc/54/36/11/1184543611.db2.gz XRVRJYHTYPCIMG-AWEZNQCLSA-N 2 0 267.417 1.435 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001752490078 1184870076 /nfs/dbraw/zinc/87/00/76/1184870076.db2.gz FCGPJSTWQFOHJF-ZBFHGGJFSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001753473206 1185226698 /nfs/dbraw/zinc/22/66/98/1185226698.db2.gz FWLKBTFDDATWIU-HZPDHXFCSA-N 2 0 293.455 1.779 20 30 CDEDRP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001753497935 1185237622 /nfs/dbraw/zinc/23/76/22/1185237622.db2.gz RMPQUMMYHCAFCA-LSDHHAIUSA-N 2 0 281.444 1.921 20 30 CDEDRP C=C(C)C[NH2+]CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001753572684 1185256558 /nfs/dbraw/zinc/25/65/58/1185256558.db2.gz BJTTYQNPBLEPPS-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001754348033 1185591240 /nfs/dbraw/zinc/59/12/40/1185591240.db2.gz DKTMXVONYLOGKJ-HUUCEWRRSA-N 2 0 291.439 1.226 20 30 CDEDRP C=C(C)CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001754524678 1185658826 /nfs/dbraw/zinc/65/88/26/1185658826.db2.gz NFURCJCUOMFWPK-CQSZACIVSA-N 2 0 279.428 1.533 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001755029752 1185791155 /nfs/dbraw/zinc/79/11/55/1185791155.db2.gz PXFDTBDZNAYLGE-HZPDHXFCSA-N 2 0 293.455 1.711 20 30 CDEDRP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001755268754 1185883481 /nfs/dbraw/zinc/88/34/81/1185883481.db2.gz GZLZYHZHOWWXRN-HZPDHXFCSA-N 2 0 293.455 1.759 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001755311706 1185910938 /nfs/dbraw/zinc/91/09/38/1185910938.db2.gz ULSWXEXRFYMJMZ-CQSZACIVSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[NH+]1CC([C@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001755388138 1185937065 /nfs/dbraw/zinc/93/70/65/1185937065.db2.gz XYUYCEHEGBFBSU-ZDUSSCGKSA-N 2 0 279.428 1.341 20 30 CDEDRP CC#CC[NH2+]CCC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001755502891 1185974690 /nfs/dbraw/zinc/97/46/90/1185974690.db2.gz YPBDMBKZIULZDU-HZPDHXFCSA-N 2 0 293.455 1.759 20 30 CDEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076567579 697683526 /nfs/dbraw/zinc/68/35/26/697683526.db2.gz ARHLUSGZYMZGSN-ARFHVFGLSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000843780203 697807585 /nfs/dbraw/zinc/80/75/85/697807585.db2.gz BVHHBKULDJQDPB-UHFFFAOYSA-N 2 0 289.423 1.824 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001022809250 697810767 /nfs/dbraw/zinc/81/07/67/697810767.db2.gz HSIBZVOPZAMBKS-OKILXGFUSA-N 2 0 299.846 1.708 20 30 CDEDRP C=CCCCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000877199329 697882917 /nfs/dbraw/zinc/88/29/17/697882917.db2.gz NCEIOERPZRGRLC-UHFFFAOYSA-N 2 0 274.368 1.786 20 30 CDEDRP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049535185 697907020 /nfs/dbraw/zinc/90/70/20/697907020.db2.gz YUZPDVZHEUYCNI-XHSDSOJGSA-N 2 0 291.439 1.271 20 30 CDEDRP CC1CC[NH+](CCCCNC2=[NH+]CCCN2C)CC1 ZINC000848989588 698017290 /nfs/dbraw/zinc/01/72/90/698017290.db2.gz YSRQGNRHQJICKS-UHFFFAOYSA-N 2 0 266.433 1.780 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001074824752 698094260 /nfs/dbraw/zinc/09/42/60/698094260.db2.gz ORFYFWZIWZUYMX-JYJNAYRXSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@H+](CC1CCCCC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923313719 698120100 /nfs/dbraw/zinc/12/01/00/698120100.db2.gz XGDZBWJGDLRYCM-KKUMJFAQSA-N 2 0 252.402 1.905 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000303773925 698331640 /nfs/dbraw/zinc/33/16/40/698331640.db2.gz FPHPJOMSFDQUJG-HUUCEWRRSA-N 2 0 298.475 1.826 20 30 CDEDRP C#CCOCC[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000851727105 698333697 /nfs/dbraw/zinc/33/36/97/698333697.db2.gz BVKPPGUHVMZUHC-UHFFFAOYSA-N 2 0 252.402 1.690 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001074649457 698346691 /nfs/dbraw/zinc/34/66/91/698346691.db2.gz ZDTROSHZGYLSPK-KKUMJFAQSA-N 2 0 279.428 1.624 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001019822780 698369455 /nfs/dbraw/zinc/36/94/55/698369455.db2.gz CATWFUXYUQMLEH-HOTGVXAUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]cnc2C)[C@H]1C ZINC000994297495 698373397 /nfs/dbraw/zinc/37/33/97/698373397.db2.gz GVTVRQIUABOWQG-OLZOCXBDSA-N 2 0 276.384 1.416 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999167601 698385953 /nfs/dbraw/zinc/38/59/53/698385953.db2.gz BILFTMIPSBUXMF-CABCVRRESA-N 2 0 277.412 1.095 20 30 CDEDRP CCNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000303788778 698389690 /nfs/dbraw/zinc/38/96/90/698389690.db2.gz UQHDXWCPYMDJRG-ZDUSSCGKSA-N 2 0 254.422 1.811 20 30 CDEDRP C[NH+]=C(NC[C@H]1CC[N@H+](CC(C)C)C1)NC1CC1 ZINC000849012696 698398487 /nfs/dbraw/zinc/39/84/87/698398487.db2.gz RANBNCIUPYUGBS-GFCCVEGCSA-N 2 0 252.406 1.292 20 30 CDEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001016332230 698402618 /nfs/dbraw/zinc/40/26/18/698402618.db2.gz DEDXUDJSJKNCBZ-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP CC(C)[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000203309005 698443633 /nfs/dbraw/zinc/44/36/33/698443633.db2.gz NWUSDSBCZOAWFO-LBPRGKRZSA-N 2 0 252.406 1.564 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001052254734 698510008 /nfs/dbraw/zinc/51/00/08/698510008.db2.gz OTORSZQJFCLBJO-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001002834343 698561476 /nfs/dbraw/zinc/56/14/76/698561476.db2.gz SZLZGUXNPPRWCA-OAHLLOKOSA-N 2 0 277.412 1.095 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000997359163 698674342 /nfs/dbraw/zinc/67/43/42/698674342.db2.gz FYTWDGDOSREUTM-ZIAGYGMSSA-N 2 0 277.412 1.073 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033834351 698830700 /nfs/dbraw/zinc/83/07/00/698830700.db2.gz OZXYIAYERQSCOO-OWCLPIDISA-N 2 0 291.439 1.273 20 30 CDEDRP C[C@H]1C[NH+]=C(NCCCCC[NH+]2CCCCC2)N1 ZINC000849007814 698843188 /nfs/dbraw/zinc/84/31/88/698843188.db2.gz USWAEOTZMCJABF-ZDUSSCGKSA-N 2 0 252.406 1.580 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC000986353962 698889036 /nfs/dbraw/zinc/88/90/36/698889036.db2.gz JZTNDGUSXHXYDB-TZMCWYRMSA-N 2 0 299.846 1.802 20 30 CDEDRP C#CCCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001038324168 704823435 /nfs/dbraw/zinc/82/34/35/704823435.db2.gz ZCSJDRWOOHFGNO-GJZGRUSLSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001018857578 704830234 /nfs/dbraw/zinc/83/02/34/704830234.db2.gz YMGLNSGVQBYXNT-KBPBESRZSA-N 2 0 297.830 1.271 20 30 CDEDRP C#CC[N@H+]1CC[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001042093178 704878214 /nfs/dbraw/zinc/87/82/14/704878214.db2.gz MMAWZQBUJNEWFV-GJZGRUSLSA-N 2 0 289.423 1.027 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001001265380 704884400 /nfs/dbraw/zinc/88/44/00/704884400.db2.gz SBPHWFBONNYNSX-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001022360983 704987904 /nfs/dbraw/zinc/98/79/04/704987904.db2.gz LZMINBOMTJGTBQ-OKILXGFUSA-N 2 0 277.412 1.428 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989480843 705006661 /nfs/dbraw/zinc/00/66/61/705006661.db2.gz MBESIYKJHYUOMA-OAHLLOKOSA-N 2 0 279.428 1.439 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC(C)C)C2)CC1 ZINC001023128224 705028581 /nfs/dbraw/zinc/02/85/81/705028581.db2.gz VFJIVCRYLMZEIY-IYBDPMFKSA-N 2 0 291.439 1.224 20 30 CDEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001001401173 705033295 /nfs/dbraw/zinc/03/32/95/705033295.db2.gz BXQKBVGJVMBUFM-INIZCTEOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001020928056 705046242 /nfs/dbraw/zinc/04/62/42/705046242.db2.gz UKYCTWAXOXHRAL-MGPQQGTHSA-N 2 0 265.401 1.141 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001019812459 705094842 /nfs/dbraw/zinc/09/48/42/705094842.db2.gz PZRQTWJBMSAHEO-AWEZNQCLSA-N 2 0 299.846 1.805 20 30 CDEDRP CN(C(=[NH2+])NCCC[NH+]1CCCCCC1)C1CC1 ZINC000181460167 705206009 /nfs/dbraw/zinc/20/60/09/705206009.db2.gz MYPDBFUTSXWUQS-UHFFFAOYSA-N 2 0 252.406 1.661 20 30 CDEDRP C[NH+](C)CC1(O)CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000931485578 705223589 /nfs/dbraw/zinc/22/35/89/705223589.db2.gz NLVMJMWTUWQVAM-UHFFFAOYSA-N 2 0 291.370 1.586 20 30 CDEDRP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072081151 705252040 /nfs/dbraw/zinc/25/20/40/705252040.db2.gz HIZUIIQUEVFMCY-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH+]=C(N(C)C)N(C)C)C1 ZINC000261999221 705298374 /nfs/dbraw/zinc/29/83/74/705298374.db2.gz OYEMHUSGNMPZLK-ZDUSSCGKSA-N 2 0 254.422 1.586 20 30 CDEDRP C[NH+](C)CCCC[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000045696996 1166275288 /nfs/dbraw/zinc/27/52/88/1166275288.db2.gz FBODDBKIXSLMJP-HNNXBMFYSA-N 2 0 261.369 1.523 20 30 CDEDRP CN1CCC[NH+]=C1NCCCCC[NH+]1CCCC1 ZINC000849033655 848115610 /nfs/dbraw/zinc/11/56/10/848115610.db2.gz UOQLGWMZUUOSOJ-UHFFFAOYSA-N 2 0 252.406 1.534 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001054910416 848123044 /nfs/dbraw/zinc/12/30/44/848123044.db2.gz ZVKQGXPLKHATHN-XJKSGUPXSA-N 2 0 298.390 1.961 20 30 CDEDRP C#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001027878981 848298106 /nfs/dbraw/zinc/29/81/06/848298106.db2.gz LDZDYTWJMKTNQH-HUUCEWRRSA-N 2 0 277.412 1.073 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997009694 848348988 /nfs/dbraw/zinc/34/89/88/848348988.db2.gz PUZSVBFMTMQYPM-FZMZJTMJSA-N 2 0 299.846 1.517 20 30 CDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CCC[C@@H]1C)CC2 ZINC001035797264 848450670 /nfs/dbraw/zinc/45/06/70/848450670.db2.gz HFYZJHPKMGAPPP-HNNXBMFYSA-N 2 0 291.439 1.581 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001007949107 848488976 /nfs/dbraw/zinc/48/89/76/848488976.db2.gz KAQLCHRVSREQSJ-HNNXBMFYSA-N 2 0 296.374 1.552 20 30 CDEDRP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001045640448 848530560 /nfs/dbraw/zinc/53/05/60/848530560.db2.gz RVTOPOIBLFNVMT-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001029003202 848577578 /nfs/dbraw/zinc/57/75/78/848577578.db2.gz INMLUDPUCYEGSJ-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP CNC(=[NH2+])NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000303262804 848604015 /nfs/dbraw/zinc/60/40/15/848604015.db2.gz QIIOFEPDOGIDMR-UHFFFAOYSA-N 2 0 274.412 1.953 20 30 CDEDRP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001000523665 848607846 /nfs/dbraw/zinc/60/78/46/848607846.db2.gz YHTWKUXABBDFTR-AWEZNQCLSA-N 2 0 263.385 1.015 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@H](C)C[NH+]1CCCCC1 ZINC000303882855 848669804 /nfs/dbraw/zinc/66/98/04/848669804.db2.gz LXGRAZGKHVVTRM-ZDUSSCGKSA-N 2 0 252.406 1.589 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052936747 848695594 /nfs/dbraw/zinc/69/55/94/848695594.db2.gz DOYDECWOMUNXQA-HNNXBMFYSA-N 2 0 277.412 1.076 20 30 CDEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059883 848752497 /nfs/dbraw/zinc/75/24/97/848752497.db2.gz JGQQFPVONXUWLE-WCVJEAGWSA-N 2 0 291.439 1.150 20 30 CDEDRP C#CC[C@@H](CCOC)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000862547478 848754789 /nfs/dbraw/zinc/75/47/89/848754789.db2.gz HDNRXFLVMXXCHT-HNNXBMFYSA-N 2 0 264.413 1.879 20 30 CDEDRP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001052498587 848770214 /nfs/dbraw/zinc/77/02/14/848770214.db2.gz ILZKBLSXAFSNRN-LSDHHAIUSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000998995922 848815881 /nfs/dbraw/zinc/81/58/81/848815881.db2.gz WEPFMVOGBDSEDR-JXQTWKCFSA-N 2 0 299.846 1.802 20 30 CDEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052938344 848816665 /nfs/dbraw/zinc/81/66/65/848816665.db2.gz VYBAKHLWKIVINE-CQSZACIVSA-N 2 0 265.401 1.239 20 30 CDEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000923390931 848869578 /nfs/dbraw/zinc/86/95/78/848869578.db2.gz ZUVBOYWILBKYJI-XUWVNRHRSA-N 2 0 282.428 1.532 20 30 CDEDRP C#CCN1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000923558020 848870825 /nfs/dbraw/zinc/87/08/25/848870825.db2.gz PUEZZJZJXOLLAK-GDBMZVCRSA-N 2 0 289.423 1.217 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049533053 848925750 /nfs/dbraw/zinc/92/57/50/848925750.db2.gz LZVSJPMWFQOULQ-OAGGEKHMSA-N 2 0 293.455 1.824 20 30 CDEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1ccnc1 ZINC001039412430 848928833 /nfs/dbraw/zinc/92/88/33/848928833.db2.gz RPZRVIXZQWLYHB-CABCVRRESA-N 2 0 288.395 1.525 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001000377371 849166030 /nfs/dbraw/zinc/16/60/30/849166030.db2.gz KULOQMVORUATJB-HZPDHXFCSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993762748 849175687 /nfs/dbraw/zinc/17/56/87/849175687.db2.gz RJCNTQCCWKJAFJ-HIFRSBDPSA-N 2 0 279.428 1.483 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001023376937 849292709 /nfs/dbraw/zinc/29/27/09/849292709.db2.gz BZCJYTXVYHJITL-BZUAXINKSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001031666614 849332734 /nfs/dbraw/zinc/33/27/34/849332734.db2.gz QRILSBPNCZCEBS-OAHLLOKOSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001054905306 849481371 /nfs/dbraw/zinc/48/13/71/849481371.db2.gz CTTHIHDMAKJOQE-IUODEOHRSA-N 2 0 284.363 1.570 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001034647798 849544049 /nfs/dbraw/zinc/54/40/49/849544049.db2.gz PPWNFYQYZJVMKV-KLHDSHLOSA-N 2 0 293.455 1.920 20 30 CDEDRP CCc1ccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C)C2)cc1 ZINC000303909436 849547886 /nfs/dbraw/zinc/54/78/86/849547886.db2.gz YERWLJXCOCHMGU-CYBMUJFWSA-N 2 0 260.385 1.927 20 30 CDEDRP C#CC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001054664286 849551701 /nfs/dbraw/zinc/55/17/01/849551701.db2.gz XRJOGXZSUANRTJ-CABCVRRESA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001036299753 849559769 /nfs/dbraw/zinc/55/97/69/849559769.db2.gz RSWGZPFFSAPYJD-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH]cn3)C[C@H]21 ZINC001042091588 849608951 /nfs/dbraw/zinc/60/89/51/849608951.db2.gz WMRKLGXQQIKAGK-UKRRQHHQSA-N 2 0 288.395 1.451 20 30 CDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000876718671 849665523 /nfs/dbraw/zinc/66/55/23/849665523.db2.gz YCXATYLLNAWMHS-CQSZACIVSA-N 2 0 295.814 1.834 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001031800378 849834320 /nfs/dbraw/zinc/83/43/20/849834320.db2.gz NDOMBLXHEHUJRR-UHFFFAOYSA-N 2 0 284.363 1.490 20 30 CDEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001005994335 849853532 /nfs/dbraw/zinc/85/35/32/849853532.db2.gz BZRWFBZQDIDXSH-ZBFHGGJFSA-N 2 0 293.455 1.683 20 30 CDEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997009695 849899303 /nfs/dbraw/zinc/89/93/03/849899303.db2.gz PUZSVBFMTMQYPM-RISCZKNCSA-N 2 0 299.846 1.517 20 30 CDEDRP C#CCN1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000923551722 850045213 /nfs/dbraw/zinc/04/52/13/850045213.db2.gz PNTSOXPSQSPKAE-HNNXBMFYSA-N 2 0 289.423 1.076 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)Cc3cncn3C)C2)CC1 ZINC001050731202 850057588 /nfs/dbraw/zinc/05/75/88/850057588.db2.gz XQOZEDKLKBEBFH-UHFFFAOYSA-N 2 0 288.395 1.073 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000104160957 850072261 /nfs/dbraw/zinc/07/22/61/850072261.db2.gz LTWHKXGRXUQWTK-QWHCGFSZSA-N 2 0 270.421 1.046 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000841468368 850104223 /nfs/dbraw/zinc/10/42/23/850104223.db2.gz XXIAHTZKKAAIEG-UHFFFAOYSA-N 2 0 267.417 1.437 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001074684566 850134421 /nfs/dbraw/zinc/13/44/21/850134421.db2.gz WLJFZHAHAIMEOC-XHSDSOJGSA-N 2 0 291.439 1.177 20 30 CDEDRP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001039394058 850184763 /nfs/dbraw/zinc/18/47/63/850184763.db2.gz SQFUZQTVYMNEIV-OWCLPIDISA-N 2 0 293.455 1.968 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000987126443 850224084 /nfs/dbraw/zinc/22/40/84/850224084.db2.gz VSALQDLRPFIYNR-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001041833468 850256475 /nfs/dbraw/zinc/25/64/75/850256475.db2.gz QEKHOJMTHWPLOB-QGZVFWFLSA-N 2 0 291.439 1.583 20 30 CDEDRP C#CCN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000923558026 850358550 /nfs/dbraw/zinc/35/85/50/850358550.db2.gz PUEZZJZJXOLLAK-HOCLYGCPSA-N 2 0 289.423 1.217 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N(C)C1C[NH+](CCC2CC2)C1 ZINC001042959737 850378949 /nfs/dbraw/zinc/37/89/49/850378949.db2.gz AJVQMKKBMVKDBI-INIZCTEOSA-N 2 0 289.423 1.027 20 30 CDEDRP CCOCCCNC(=[NH2+])NCC[N@H+](C)[C@@H](C)CC ZINC000303989873 850491395 /nfs/dbraw/zinc/49/13/95/850491395.db2.gz XYYQGKPBKXNKGT-LBPRGKRZSA-N 2 0 258.410 1.048 20 30 CDEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CCCCCC ZINC001114985157 894663106 /nfs/dbraw/zinc/66/31/06/894663106.db2.gz YFDYRHJBWBGBEM-QLPKVWCKSA-N 2 0 291.439 1.178 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001209634088 894796833 /nfs/dbraw/zinc/79/68/33/894796833.db2.gz ZZNZVARGXGPJDA-HUUCEWRRSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1CC ZINC001087577677 905701590 /nfs/dbraw/zinc/70/15/90/905701590.db2.gz CVDUIPCCHGRKOQ-LVQVYYBASA-N 2 0 293.455 1.872 20 30 CDEDRP C#CCC[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101418114 906748952 /nfs/dbraw/zinc/74/89/52/906748952.db2.gz ADYOLKQUIYWQTG-WBVHZDCISA-N 2 0 291.439 1.132 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1 ZINC001212483853 921272847 /nfs/dbraw/zinc/27/28/47/921272847.db2.gz WBYJEVVWEXYEHC-ZIAGYGMSSA-N 2 0 297.443 1.108 20 30 CDEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001088424825 907151694 /nfs/dbraw/zinc/15/16/94/907151694.db2.gz GWJZETQNTVATGU-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001088620013 908635306 /nfs/dbraw/zinc/63/53/06/908635306.db2.gz OWEZLQAXBSOPCX-OAGGEKHMSA-N 2 0 291.439 1.177 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001273010136 921481659 /nfs/dbraw/zinc/48/16/59/921481659.db2.gz DCQUFIOXJXPUBE-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001189653846 921609190 /nfs/dbraw/zinc/60/91/90/921609190.db2.gz ZIOBVIRBUSGUAL-UONOGXRCSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127082309 911317213 /nfs/dbraw/zinc/31/72/13/911317213.db2.gz PJBXXQJVNFMZNZ-AWEZNQCLSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CCCSCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000696042910 911631712 /nfs/dbraw/zinc/63/17/12/911631712.db2.gz DDUVYBVMLZJVQE-QSLWVIQJSA-N 2 0 252.427 1.882 20 30 CDEDRP C[C@@H](CCCC#N)N1CC[NH+](CCCC[NH3+])CC1 ZINC001172487451 911688389 /nfs/dbraw/zinc/68/83/89/911688389.db2.gz BFWNVORCAUYVMB-AWEZNQCLSA-N 2 0 252.406 1.425 20 30 CDEDRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172982441 912110912 /nfs/dbraw/zinc/11/09/12/912110912.db2.gz ZFLUWLNITQXJLA-AVGNSLFASA-N 2 0 296.415 1.462 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001179435472 915835135 /nfs/dbraw/zinc/83/51/35/915835135.db2.gz RAINZDHDXYYJRF-GJZGRUSLSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179439159 915836234 /nfs/dbraw/zinc/83/62/34/915836234.db2.gz IBSZFSNCMXMKFE-GJZGRUSLSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1C ZINC001179525209 915860513 /nfs/dbraw/zinc/86/05/13/915860513.db2.gz FHWDRNDCAWANGM-HRCADAONSA-N 2 0 293.455 1.709 20 30 CDEDRP C#CCC[NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001180061117 916138764 /nfs/dbraw/zinc/13/87/64/916138764.db2.gz XSSLIAMKQMZTCU-INIZCTEOSA-N 2 0 293.455 1.618 20 30 CDEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001097854203 936395821 /nfs/dbraw/zinc/39/58/21/936395821.db2.gz WIRPJXLXWVZMKK-JJXSEGSLSA-N 2 0 291.439 1.626 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N1C[C@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001183044744 918269160 /nfs/dbraw/zinc/26/91/60/918269160.db2.gz MGJSRMIKFRODPF-HZPDHXFCSA-N 2 0 291.439 1.439 20 30 CDEDRP N#Cc1ccccc1C1(C(=O)N(CCCC[NH3+])C(N)=[NH2+])CC1 ZINC001183293184 918424715 /nfs/dbraw/zinc/42/47/15/918424715.db2.gz IUNMQLURMLFRDI-UHFFFAOYSA-N 2 0 299.378 1.051 20 30 CDEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001183517122 918508073 /nfs/dbraw/zinc/50/80/73/918508073.db2.gz QDXGYUUJFQOBDE-NVXWUHKLSA-N 2 0 293.455 1.424 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1C ZINC001185361332 919546203 /nfs/dbraw/zinc/54/62/03/919546203.db2.gz YHKKQOGKWHYLTB-JKSUJKDBSA-N 2 0 293.455 1.426 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001186074907 919857963 /nfs/dbraw/zinc/85/79/63/919857963.db2.gz KQZIUDOMGVDRDJ-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190744604 922170687 /nfs/dbraw/zinc/17/06/87/922170687.db2.gz SKGSTYISENETNQ-JKSUJKDBSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001098393864 936750246 /nfs/dbraw/zinc/75/02/46/936750246.db2.gz FEVLCCLWTACSHV-TUVASFSCSA-N 2 0 277.412 1.236 20 30 CDEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001191966709 922859910 /nfs/dbraw/zinc/85/99/10/922859910.db2.gz BBNORLFOUCMMPO-JYJNAYRXSA-N 2 0 293.455 1.826 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001192318125 923006628 /nfs/dbraw/zinc/00/66/28/923006628.db2.gz WJKQRMYSOGFLLV-HUUCEWRRSA-N 2 0 279.428 1.273 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001079707442 924409773 /nfs/dbraw/zinc/40/97/73/924409773.db2.gz FWXXZUXIGFFXLS-FVQBIDKESA-N 2 0 291.439 1.341 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001080134958 924492079 /nfs/dbraw/zinc/49/20/79/924492079.db2.gz JRMANPDSVHKIOT-IUODEOHRSA-N 2 0 284.363 1.570 20 30 CDEDRP C=CCCCCC[C@H]([NH3+])C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219243 936930420 /nfs/dbraw/zinc/93/04/20/936930420.db2.gz PCOSXHJLHSHTHI-RFQIPJPRSA-N 2 0 265.401 1.126 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152224630 924656893 /nfs/dbraw/zinc/65/68/93/924656893.db2.gz ZAILDZZBBFBLJK-OAHLLOKOSA-N 2 0 281.444 1.923 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001101037389 936953729 /nfs/dbraw/zinc/95/37/29/936953729.db2.gz KZUUFHMSQJCZFN-GPANFISMSA-N 2 0 293.455 1.777 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC/C=C/CC)CC1 ZINC001152323945 925103355 /nfs/dbraw/zinc/10/33/55/925103355.db2.gz IBPSZXFYVHJSAB-AATRIKPKSA-N 2 0 291.439 1.394 20 30 CDEDRP C=CCC[N@@H+]1CCCN(C(=O)CCCn2ccnc2)CC1 ZINC001198372704 925405944 /nfs/dbraw/zinc/40/59/44/925405944.db2.gz HWXLDACKRBXBIY-UHFFFAOYSA-N 2 0 290.411 1.774 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084831199 925447457 /nfs/dbraw/zinc/44/74/57/925447457.db2.gz CGWVMRFHRWBRCH-BZUAXINKSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001085373865 925920117 /nfs/dbraw/zinc/92/01/17/925920117.db2.gz MRKGPBNFZQOLDT-HZPDHXFCSA-N 2 0 291.439 1.369 20 30 CDEDRP C#CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001085687256 926286934 /nfs/dbraw/zinc/28/69/34/926286934.db2.gz LSLOAIFXEDLQAQ-JKSUJKDBSA-N 2 0 291.439 1.273 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001085784336 926394998 /nfs/dbraw/zinc/39/49/98/926394998.db2.gz RJUXTFVCYLDSBH-HRCADAONSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001410897062 926746738 /nfs/dbraw/zinc/74/67/38/926746738.db2.gz YMAMFLXMFHQOAP-OLZOCXBDSA-N 2 0 287.835 1.660 20 30 CDEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CCC)C2 ZINC001108803097 928637155 /nfs/dbraw/zinc/63/71/55/928637155.db2.gz WJZCDYZOBVKMCP-XHSDSOJGSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001108821462 928659575 /nfs/dbraw/zinc/65/95/75/928659575.db2.gz LYLYDWUJCZWXEC-XHSDSOJGSA-N 2 0 289.423 1.075 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583805 929798233 /nfs/dbraw/zinc/79/82/33/929798233.db2.gz ORTFRNKVSVKWFJ-UONOGXRCSA-N 2 0 281.444 1.920 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135095348 930047404 /nfs/dbraw/zinc/04/74/04/930047404.db2.gz FIWBGCDFYOXSRH-UONOGXRCSA-N 2 0 265.401 1.285 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135375258 930177010 /nfs/dbraw/zinc/17/70/10/930177010.db2.gz KJXPGYOZABSTHF-QWHCGFSZSA-N 2 0 255.406 1.387 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCCCC1 ZINC001115598151 937399074 /nfs/dbraw/zinc/39/90/74/937399074.db2.gz IZXMNKIYYGZHJU-OAHLLOKOSA-N 2 0 291.439 1.513 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730536 937416401 /nfs/dbraw/zinc/41/64/01/937416401.db2.gz MSBZGOFXKVCNQS-GJZGRUSLSA-N 2 0 291.439 1.226 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939005 930550814 /nfs/dbraw/zinc/55/08/14/930550814.db2.gz RPQKYQPDSWLGRR-STQMWFEESA-N 2 0 265.401 1.141 20 30 CDEDRP C=C[C@H](O)C[NH2+]CCSCc1ccc(C[NH+](C)C)o1 ZINC001253564914 931091302 /nfs/dbraw/zinc/09/13/02/931091302.db2.gz JYSMNFWKNQNUJP-LBPRGKRZSA-N 2 0 284.425 1.711 20 30 CDEDRP C=CCn1cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cn1 ZINC001275381332 931760498 /nfs/dbraw/zinc/76/04/98/931760498.db2.gz RZDGROMMAMOGRB-UHFFFAOYSA-N 2 0 274.412 1.987 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091544408 932221583 /nfs/dbraw/zinc/22/15/83/932221583.db2.gz ZDOOQZRFEBHDCP-INMHGKMJSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146340096 932241003 /nfs/dbraw/zinc/24/10/03/932241003.db2.gz OAJSECOZZBPLNA-GJZGRUSLSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](CC)CC ZINC001155900598 937687082 /nfs/dbraw/zinc/68/70/82/937687082.db2.gz ZZIQHVRBPPUHCJ-OAHLLOKOSA-N 2 0 299.459 1.357 20 30 CDEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001111037253 933739694 /nfs/dbraw/zinc/73/96/94/933739694.db2.gz SNCCLELYGMOEBA-KBXIAJHMSA-N 2 0 277.412 1.071 20 30 CDEDRP C#CCNC(=O)CC[NH2+]CCC[N@@H+](CC)C1CCCCC1 ZINC001120500314 937804367 /nfs/dbraw/zinc/80/43/67/937804367.db2.gz NDRGLTIAWKBMTK-UHFFFAOYSA-N 2 0 293.455 1.760 20 30 CDEDRP C=C[C@@H](O)C[NH2+]C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001253610806 935359046 /nfs/dbraw/zinc/35/90/46/935359046.db2.gz IWGIVDDROHYHBA-GOEBONIOSA-N 2 0 264.413 1.944 20 30 CDEDRP N#Cc1ccc2ncnc(NC(=[NH2+])NCCCC[NH3+])c2c1 ZINC001157094803 938453652 /nfs/dbraw/zinc/45/36/52/938453652.db2.gz WJDNXTUSDXSVEC-UHFFFAOYSA-N 2 0 283.339 1.177 20 30 CDEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098677 938454165 /nfs/dbraw/zinc/45/41/65/938454165.db2.gz SCMLXDOUNKFWDV-MRXNPFEDSA-N 2 0 293.455 1.712 20 30 CDEDRP N#Cc1c2c(sc1N=C1CCC[NH2+]CC1)C[NH2+]CC2 ZINC001159159698 938706828 /nfs/dbraw/zinc/70/68/28/938706828.db2.gz OREQFWCHSHRWPG-UHFFFAOYSA-N 2 0 274.393 1.945 20 30 CDEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160405915 938785016 /nfs/dbraw/zinc/78/50/16/938785016.db2.gz FPTNAQRCAAWIID-INIZCTEOSA-N 2 0 293.455 1.897 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160866934 938834650 /nfs/dbraw/zinc/83/46/50/938834650.db2.gz DNHDSYPLPXIVOW-ZIAGYGMSSA-N 2 0 299.846 1.852 20 30 CDEDRP C#CC[N@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161021052 938857852 /nfs/dbraw/zinc/85/78/52/938857852.db2.gz KCDJTNJMBWELRF-UHFFFAOYSA-N 2 0 289.423 1.100 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161042379 938863660 /nfs/dbraw/zinc/86/36/60/938863660.db2.gz PMSKKMACAVUVNM-AWEZNQCLSA-N 2 0 267.417 1.533 20 30 CDEDRP N#Cc1nc(NCCC[NH2+]CCCC[NH3+])ccc1Cl ZINC001162289419 938971958 /nfs/dbraw/zinc/97/19/58/938971958.db2.gz UHSLBVVNKROBLN-UHFFFAOYSA-N 2 0 281.791 1.737 20 30 CDEDRP N#Cc1c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)ncc2c1CCC[NH2+]C2 ZINC001162791103 939140695 /nfs/dbraw/zinc/14/06/95/939140695.db2.gz ZOZLAFKAJGMEKW-IUIKQTSFSA-N 2 0 295.390 1.175 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc(CC#N)c(C)n1 ZINC001163129023 939207415 /nfs/dbraw/zinc/20/74/15/939207415.db2.gz RWPDWQTTXIYVNI-UHFFFAOYSA-N 2 0 288.399 1.734 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001166692825 939627755 /nfs/dbraw/zinc/62/77/55/939627755.db2.gz QFTZESKTFRULLW-UONOGXRCSA-N 2 0 267.417 1.246 20 30 CDEDRP COc1cc(C#N)ccc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205046726 939818181 /nfs/dbraw/zinc/81/81/81/939818181.db2.gz KCXZHFLHLCBJBO-UHFFFAOYSA-N 2 0 259.353 1.738 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001205469502 939892677 /nfs/dbraw/zinc/89/26/77/939892677.db2.gz ISRNCLYGQHNBLX-UHFFFAOYSA-N 2 0 279.428 1.485 20 30 CDEDRP C[C@H]1CC[N@H+](Cc2ccc(C#N)nc2)CC[C@@H]1C[NH3+] ZINC001205626532 939909867 /nfs/dbraw/zinc/90/98/67/939909867.db2.gz GZZBPGTTZDWTSG-GXTWGEPZSA-N 2 0 258.369 1.760 20 30 CDEDRP C#CC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001206175768 939992166 /nfs/dbraw/zinc/99/21/66/939992166.db2.gz BDKIHEZFURWOKG-OAHLLOKOSA-N 2 0 279.428 1.034 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001206176957 939992260 /nfs/dbraw/zinc/99/22/60/939992260.db2.gz WOCVINKDGMULKG-MRXNPFEDSA-N 2 0 293.455 1.424 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001206274508 940010317 /nfs/dbraw/zinc/01/03/17/940010317.db2.gz ISUFNLGUOZOQBI-HNNXBMFYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001206274640 940010422 /nfs/dbraw/zinc/01/04/22/940010422.db2.gz KVGSFEGDSLVLKM-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001208331612 940321067 /nfs/dbraw/zinc/32/10/67/940321067.db2.gz VDIUCUYNZWQJDC-CQSZACIVSA-N 2 0 277.412 1.075 20 30 CDEDRP C=CCC[C@H](C)[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001258732738 945397431 /nfs/dbraw/zinc/39/74/31/945397431.db2.gz POMPSSXDEKHPOJ-AWEZNQCLSA-N 2 0 267.417 1.437 20 30 CDEDRP C=CC[NH2+]CCN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001210266533 940677118 /nfs/dbraw/zinc/67/71/18/940677118.db2.gz HGATZDUYQDHLEI-INIZCTEOSA-N 2 0 259.397 1.279 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001210283629 940678396 /nfs/dbraw/zinc/67/83/96/940678396.db2.gz QBYYCRAWHNSVTL-INIZCTEOSA-N 2 0 291.439 1.322 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211241741 940740482 /nfs/dbraw/zinc/74/04/82/940740482.db2.gz XMLWSRZWRHEXAI-MRXNPFEDSA-N 2 0 291.439 1.466 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215413498 940885145 /nfs/dbraw/zinc/88/51/45/940885145.db2.gz HHEYQYCZBWSDLN-ZIAGYGMSSA-N 2 0 279.428 1.341 20 30 CDEDRP N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000402186258 940890481 /nfs/dbraw/zinc/89/04/81/940890481.db2.gz ZSFGXUIOJSABKD-ZFWWWQNUSA-N 2 0 259.353 1.262 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215557796 940894152 /nfs/dbraw/zinc/89/41/52/940894152.db2.gz CWAUBCOCCLEVJE-ZIAGYGMSSA-N 2 0 281.444 1.587 20 30 CDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1 ZINC001217934534 941029958 /nfs/dbraw/zinc/02/99/58/941029958.db2.gz WYHWCPFBRGBDKL-CQJMVSDSSA-N 2 0 280.412 1.467 20 30 CDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1Oc1n[nH]c2c1C[NH2+]CC2 ZINC001218452072 941219822 /nfs/dbraw/zinc/21/98/22/941219822.db2.gz OQDIKKKAPVWGJD-CHWSQXEVSA-N 2 0 262.357 1.131 20 30 CDEDRP Cc1coc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])c1C#N ZINC001218768716 941269081 /nfs/dbraw/zinc/26/90/81/941269081.db2.gz UQZZFZLOLDIFBF-JTQLQIEISA-N 2 0 264.329 1.245 20 30 CDEDRP C[C@H](C#N)c1ccc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cc1 ZINC001218871712 941281956 /nfs/dbraw/zinc/28/19/56/941281956.db2.gz QHVHJWUECLMGJY-ABAIWWIYSA-N 2 0 286.379 1.579 20 30 CDEDRP CC(C)(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c1ccc(C#N)cc1 ZINC001219989846 941402273 /nfs/dbraw/zinc/40/22/73/941402273.db2.gz RYACHGHDYFZTAB-AWEZNQCLSA-N 2 0 288.395 1.366 20 30 CDEDRP C=CCCCNC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220484875 941450784 /nfs/dbraw/zinc/45/07/84/941450784.db2.gz YMRBDDPJTRWULY-ZDUSSCGKSA-N 2 0 255.406 1.564 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221883844 941553412 /nfs/dbraw/zinc/55/34/12/941553412.db2.gz WVOLEUJKJDRHGF-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP C=CCN1CC[C@H]1CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001234642845 943925001 /nfs/dbraw/zinc/92/50/01/943925001.db2.gz LIMFQWJXHCHGIC-UONOGXRCSA-N 2 0 285.407 1.385 20 30 CDEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235318210 944116916 /nfs/dbraw/zinc/11/69/16/944116916.db2.gz FABXVDZJRANMPQ-AWEZNQCLSA-N 2 0 279.428 1.580 20 30 CDEDRP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCC#N ZINC001277951534 944189699 /nfs/dbraw/zinc/18/96/99/944189699.db2.gz LDSPKFWUPQWANH-MQVJKMGUSA-N 2 0 278.444 1.827 20 30 CDEDRP C[NH+](C)CCN1CCC12C[NH+](CCCCC#N)C2 ZINC001277952212 944198418 /nfs/dbraw/zinc/19/84/18/944198418.db2.gz VWDQKUUONVJUNS-UHFFFAOYSA-N 2 0 250.390 1.002 20 30 CDEDRP C=CC[NH2+]CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001235791734 944275692 /nfs/dbraw/zinc/27/56/92/944275692.db2.gz CFGHDNOIMIKVKO-ZWKOTPCHSA-N 2 0 285.435 1.968 20 30 CDEDRP N#Cc1cccc(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])c1F ZINC001236002298 944370984 /nfs/dbraw/zinc/37/09/84/944370984.db2.gz TXLODNSQUBKQPB-NNQSOWQGSA-N 2 0 275.327 1.103 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001258719332 945389953 /nfs/dbraw/zinc/38/99/53/945389953.db2.gz BATSZBCFYAIFAH-OAHLLOKOSA-N 2 0 253.434 1.957 20 30 CDEDRP C[NH+](C)CCCN(CCC[NH3+])[C@H]1CC[C@@H](C#N)C1 ZINC001254644788 947567744 /nfs/dbraw/zinc/56/77/44/947567744.db2.gz XPIKUYODGNETFD-KGLIPLIRSA-N 2 0 252.406 1.281 20 30 CDEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246303550 948093865 /nfs/dbraw/zinc/09/38/65/948093865.db2.gz IQXBHMAWZAVGDW-KGLIPLIRSA-N 2 0 297.443 1.333 20 30 CDEDRP C[NH+](C)CCCN1CC[NH+](C2CCC(C#N)CC2)CC1 ZINC001256969811 948466650 /nfs/dbraw/zinc/46/66/50/948466650.db2.gz PNIOPGFSLWDWDA-UHFFFAOYSA-N 2 0 278.444 1.638 20 30 CDEDRP C=C[C@H](O)C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001253581048 951971348 /nfs/dbraw/zinc/97/13/48/951971348.db2.gz GDSVCHLEHDEPAQ-CABCVRRESA-N 2 0 252.402 1.874 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC001340268158 956712149 /nfs/dbraw/zinc/71/21/49/956712149.db2.gz ZBAQAYYDZKFNKS-RDBSUJKOSA-N 2 0 280.416 1.292 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001420300933 962707278 /nfs/dbraw/zinc/70/72/78/962707278.db2.gz SYMBKMMYKBBXES-LLVKDONJSA-N 2 0 273.808 1.318 20 30 CDEDRP C#CC[NH2+]CC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001340190279 962805287 /nfs/dbraw/zinc/80/52/87/962805287.db2.gz JHYAXGWEDDECIB-UHFFFAOYSA-N 2 0 291.439 1.370 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001100678692 968932151 /nfs/dbraw/zinc/93/21/51/968932151.db2.gz TYGCXBBJHQGFPI-WLYUNCDWSA-N 2 0 279.428 1.389 20 30 CDEDRP CC#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001132437336 1163290291 /nfs/dbraw/zinc/29/02/91/1163290291.db2.gz RXTALHXYSBCGGA-HOTGVXAUSA-N 2 0 293.455 1.711 20 30 CDEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132888919 1163501640 /nfs/dbraw/zinc/50/16/40/1163501640.db2.gz SUPDNDDQNOZXIO-CABCVRRESA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434165 1163721420 /nfs/dbraw/zinc/72/14/20/1163721420.db2.gz JKSQVBGDNXIKCK-CYBMUJFWSA-N 2 0 255.406 1.245 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC(N[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000591576991 342637591 /nfs/dbraw/zinc/63/75/91/342637591.db2.gz VYUPOQQQSLKJGP-SFHVURJKSA-N 2 0 298.434 1.864 20 30 CDEDRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598596462 343840767 /nfs/dbraw/zinc/84/07/67/343840767.db2.gz RUWNOLLASFWXQT-LSDHHAIUSA-N 2 0 281.444 1.951 20 30 CDEDRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598596460 343840809 /nfs/dbraw/zinc/84/08/09/343840809.db2.gz RUWNOLLASFWXQT-GJZGRUSLSA-N 2 0 281.444 1.951 20 30 CDEDRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598718388 343882738 /nfs/dbraw/zinc/88/27/38/343882738.db2.gz AVASOMSYCUSHIS-UONOGXRCSA-N 2 0 267.417 1.609 20 30 CDEDRP C[C@@H](CCC#N)C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000602476684 344444702 /nfs/dbraw/zinc/44/47/02/344444702.db2.gz UQOLWRMLDWDMKF-AWEZNQCLSA-N 2 0 267.417 1.969 20 30 CDEDRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602567264 344483744 /nfs/dbraw/zinc/48/37/44/344483744.db2.gz JIZYCSLVSCOVMJ-AWEZNQCLSA-N 2 0 267.417 1.751 20 30 CDEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](CC3(CC#N)CC3)C2)CC1 ZINC000602775298 344578268 /nfs/dbraw/zinc/57/82/68/344578268.db2.gz GYPAEWIAOMOYEC-OAHLLOKOSA-N 2 0 276.428 1.392 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C)[NH2+]CCC)CC1 ZINC000449123117 362626046 /nfs/dbraw/zinc/62/60/46/362626046.db2.gz MQKTUIVVCMKXEX-GFCCVEGCSA-N 2 0 253.390 1.141 20 30 CDEDRP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)CN1CC[NH+](C)CC1 ZINC000105439689 186056983 /nfs/dbraw/zinc/05/69/83/186056983.db2.gz VZEUQOSIJHJJLU-OAHLLOKOSA-N 2 0 286.423 1.531 20 30 CDEDRP C[NH+]=C(NCC[NH+]1CCC(C)CC1)NCc1ccco1 ZINC000264034851 362952828 /nfs/dbraw/zinc/95/28/28/362952828.db2.gz FWVWJLWUZMNFKY-UHFFFAOYSA-N 2 0 278.400 1.677 20 30 CDEDRP C[NH+]=C(NCCCC[NH+]1CCOCC1)NCc1ccco1 ZINC000264057332 362953592 /nfs/dbraw/zinc/95/35/92/362953592.db2.gz OFTZHZMSWUSAIJ-UHFFFAOYSA-N 2 0 294.399 1.057 20 30 CDEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000264092944 362965165 /nfs/dbraw/zinc/96/51/65/362965165.db2.gz LRVPSQYQYRTEOS-ZDUSSCGKSA-N 2 0 260.385 1.982 20 30 CDEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C)C2)c1 ZINC000264092942 362965391 /nfs/dbraw/zinc/96/53/91/362965391.db2.gz LRVPSQYQYRTEOS-CYBMUJFWSA-N 2 0 260.385 1.982 20 30 CDEDRP CC[C@H](C)NC(=[NH2+])NCc1ccc(OCC[NH+](C)C)cc1 ZINC000264100167 362967347 /nfs/dbraw/zinc/96/73/47/362967347.db2.gz MNWPCQCSNXGDDW-ZDUSSCGKSA-N 2 0 292.427 1.830 20 30 CDEDRP CN(C)C(=[NH+]CCC[N@H+](C)Cc1ccccc1)N(C)C ZINC000264107421 362969373 /nfs/dbraw/zinc/96/93/73/362969373.db2.gz OCKORTLQINXMNR-UHFFFAOYSA-N 2 0 276.428 1.988 20 30 CDEDRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353235570 282713017 /nfs/dbraw/zinc/71/30/17/282713017.db2.gz BWWVFZZWIQYSKN-MRXNPFEDSA-N 2 0 285.391 1.592 20 30 CDEDRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000181703526 357375825 /nfs/dbraw/zinc/37/58/25/357375825.db2.gz YJUPLRCTEBEDCN-LSDHHAIUSA-N 2 0 286.423 1.845 20 30 CDEDRP CCNC(NC[C@@H](c1cccs1)N(C)C)=[NH+]CC ZINC000058166006 357381630 /nfs/dbraw/zinc/38/16/30/357381630.db2.gz DAIATYQGLZSONG-NSHDSACASA-N 2 0 268.430 1.926 20 30 CDEDRP C=CCOCCC[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000348051847 359802954 /nfs/dbraw/zinc/80/29/54/359802954.db2.gz RTIJLGUYZAJZKB-HNNXBMFYSA-N 2 0 268.401 1.233 20 30 CDEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])NCc2ccccc2OC)C1 ZINC000170905405 365158108 /nfs/dbraw/zinc/15/81/08/365158108.db2.gz DCWKDOZJUHWGKE-CYBMUJFWSA-N 2 0 290.411 1.441 20 30 CDEDRP [NH2+]=C(NCCC[NH+]1CCCCC1)Nc1ccccn1 ZINC000170908577 365160062 /nfs/dbraw/zinc/16/00/62/365160062.db2.gz WFDMXIUXFQPPOS-UHFFFAOYSA-N 2 0 261.373 1.684 20 30 CDEDRP C[C@H]1C[N@H+](CCCCC#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362704691 369112652 /nfs/dbraw/zinc/11/26/52/369112652.db2.gz VEZWIJGXUFBSSW-HOTGVXAUSA-N 2 0 278.444 1.638 20 30 CDEDRP C=CCCCC[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000556220150 370241143 /nfs/dbraw/zinc/24/11/43/370241143.db2.gz MBHROJLLXKJCDR-HNNXBMFYSA-N 2 0 252.402 1.997 20 30 CDEDRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000567608586 371062594 /nfs/dbraw/zinc/06/25/94/371062594.db2.gz CSEVNHBWNASPRE-HNNXBMFYSA-N 2 0 294.443 1.586 20 30 CDEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123791992 374720091 /nfs/dbraw/zinc/72/00/91/374720091.db2.gz IDWVLJMDZFFEQL-ZIAGYGMSSA-N 2 0 290.411 1.365 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000417532859 377866059 /nfs/dbraw/zinc/86/60/59/377866059.db2.gz FQDJGPDYKWSXBE-UHFFFAOYSA-N 2 0 294.443 1.407 20 30 CDEDRP C=C[C@@H](CO)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000289995669 378357140 /nfs/dbraw/zinc/35/71/40/378357140.db2.gz YUGNFAVVXBPBOQ-ZFWWWQNUSA-N 2 0 278.396 1.825 20 30 CDEDRP N#Cc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000383522354 378660644 /nfs/dbraw/zinc/66/06/44/378660644.db2.gz IPSGCPLKVSWBDJ-MRXNPFEDSA-N 2 0 270.380 1.038 20 30 CDEDRP C=CCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343930101 379021820 /nfs/dbraw/zinc/02/18/20/379021820.db2.gz XMMXQASTCONGLJ-CVEARBPZSA-N 2 0 265.445 1.910 20 30 CDEDRP C=C(C)C[NH+]1CCC(N[C@H]2C[N@H+](CC)C[C@H]2C)CC1 ZINC000344261562 379376712 /nfs/dbraw/zinc/37/67/12/379376712.db2.gz MUILJJUCVIFETC-ZBFHGGJFSA-N 2 0 265.445 1.957 20 30 CDEDRP C=CCN1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647788608 391471315 /nfs/dbraw/zinc/47/13/15/391471315.db2.gz NCMPAKIOTPFTAZ-IIAWOOMASA-N 2 0 263.429 1.615 20 30 CDEDRP N#Cc1ccc(N2CCC([NH2+]C[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC000423321632 392962382 /nfs/dbraw/zinc/96/23/82/392962382.db2.gz NFXUFJCYHLKPSP-QGZVFWFLSA-N 2 0 284.407 1.854 20 30 CDEDRP N#Cc1ccc(C[NH+]2CCC(NCC3([NH3+])CCC3)CC2)cc1 ZINC000423322827 392963011 /nfs/dbraw/zinc/96/30/11/392963011.db2.gz ITCJYNIHCPQENT-UHFFFAOYSA-N 2 0 298.434 1.994 20 30 CDEDRP N#C[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000333571171 228205342 /nfs/dbraw/zinc/20/53/42/228205342.db2.gz UDOUDZWUMXFWDX-BVUBDWEXSA-N 2 0 277.412 1.646 20 30 CDEDRP C[NH+]=C(NCc1ccn(C)c1)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158524329 261166260 /nfs/dbraw/zinc/16/62/60/261166260.db2.gz JVKKOFZEOPOVKF-ZFWWWQNUSA-N 2 0 291.443 1.419 20 30 CDEDRP C=CC1CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000114456996 266287183 /nfs/dbraw/zinc/28/71/83/266287183.db2.gz VNSSHLBYEQOMOV-UHFFFAOYSA-N 2 0 293.455 1.873 20 30 CDEDRP C[C@H]1CCCN(C(=[NH2+])NCCN2CCOC(C)(C)C2)C1 ZINC000170912891 329072453 /nfs/dbraw/zinc/07/24/53/329072453.db2.gz HBDFFEMKCJKHIG-ZDUSSCGKSA-N 2 0 282.432 1.144 20 30 CDEDRP C[NH+]=C(NCc1cccn1C)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261946587 328143266 /nfs/dbraw/zinc/14/32/66/328143266.db2.gz GAFQLDCJBSKVCL-WFASDCNBSA-N 2 0 289.427 1.173 20 30 CDEDRP CSC1(C[NH2+]C[C@@H](C#N)CCC#N)CC[NH+](C)CC1 ZINC000562911320 327524012 /nfs/dbraw/zinc/52/40/12/327524012.db2.gz KMQZXJMKDITIMI-CYBMUJFWSA-N 2 0 280.441 1.847 20 30 CDEDRP CC(C)[C@@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)N1CC[NH+](C)CC1 ZINC000185773107 329331625 /nfs/dbraw/zinc/33/16/25/329331625.db2.gz ABRYRAFXLKQKMQ-YESZJQIVSA-N 2 0 292.471 1.930 20 30 CDEDRP CC[C@](C)(O)CNC(=[NH+]C)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262754580 330029450 /nfs/dbraw/zinc/02/94/50/330029450.db2.gz ASPZZBAFENCSAH-HOCLYGCPSA-N 2 0 296.459 1.141 20 30 CDEDRP C[NH+](C)CC1(CNC(=[NH2+])NC2CCC2)CCCC1 ZINC000263035099 330039953 /nfs/dbraw/zinc/03/99/53/330039953.db2.gz BSCUJBZNRSNJRU-UHFFFAOYSA-N 2 0 252.406 1.565 20 30 CDEDRP C=CCN1CC[C@H]([N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)C1=O ZINC000422633855 330150527 /nfs/dbraw/zinc/15/05/27/330150527.db2.gz IVVZYZFOCMVEPR-CRWXNKLISA-N 2 0 265.401 1.079 20 30 CDEDRP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000424188802 330322093 /nfs/dbraw/zinc/32/20/93/330322093.db2.gz JXZGUTYZLVNCKO-HNNXBMFYSA-N 2 0 288.395 1.386 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001088899455 1161037618 /nfs/dbraw/zinc/03/76/18/1161037618.db2.gz HIHIEQQRPHEPCE-HIFRSBDPSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000334906752 526430702 /nfs/dbraw/zinc/43/07/02/526430702.db2.gz LSUGYCGMWPSFBU-OLZOCXBDSA-N 2 0 280.416 1.029 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000334906754 526431199 /nfs/dbraw/zinc/43/11/99/526431199.db2.gz LSUGYCGMWPSFBU-QWHCGFSZSA-N 2 0 280.416 1.029 20 30 CDEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCOCC[NH+](C)C)cc1 ZINC000774380589 575201798 /nfs/dbraw/zinc/20/17/98/575201798.db2.gz IGLYGWHYGVDFAJ-OAHLLOKOSA-N 2 0 290.407 1.927 20 30 CDEDRP C#CCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000981459506 613003644 /nfs/dbraw/zinc/00/36/44/613003644.db2.gz VOJMHAIWTCPIPX-HNNXBMFYSA-N 2 0 277.412 1.028 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000971871761 613095761 /nfs/dbraw/zinc/09/57/61/613095761.db2.gz JGJXFPSLIRKBOB-AWEZNQCLSA-N 2 0 282.347 1.114 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000972258621 613284112 /nfs/dbraw/zinc/28/41/12/613284112.db2.gz QQQPFXAAXDHWOF-HUUCEWRRSA-N 2 0 281.444 1.681 20 30 CDEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000969691874 613302320 /nfs/dbraw/zinc/30/23/20/613302320.db2.gz YZVUBYMLWIFYPZ-CWRNSKLLSA-N 2 0 293.455 1.729 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000961768618 613344290 /nfs/dbraw/zinc/34/42/90/613344290.db2.gz COGZCMNLAUEZGT-TTZDDIAXSA-N 2 0 277.412 1.093 20 30 CDEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)Cc3c[nH]cn3)C2)C1 ZINC000965281332 613346867 /nfs/dbraw/zinc/34/68/67/613346867.db2.gz PIYMUBAIYNYCRC-UHFFFAOYSA-N 2 0 288.395 1.545 20 30 CDEDRP C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC000960583708 613382528 /nfs/dbraw/zinc/38/25/28/613382528.db2.gz XNROXZGLRZBSFB-RQJABVFESA-N 2 0 297.830 1.270 20 30 CDEDRP C=CCC[N@@H+]1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000981543890 613492167 /nfs/dbraw/zinc/49/21/67/613492167.db2.gz KYXIEQIQUGUOFB-UHFFFAOYSA-N 2 0 291.439 1.725 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000972176040 613617429 /nfs/dbraw/zinc/61/74/29/613617429.db2.gz ISHUXMBEEYOXDL-SOUVJXGZSA-N 2 0 279.428 1.435 20 30 CDEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972485521 613618089 /nfs/dbraw/zinc/61/80/89/613618089.db2.gz LKOJEVYFXKVNSN-HZPDHXFCSA-N 2 0 293.455 1.968 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000971538556 613626583 /nfs/dbraw/zinc/62/65/83/613626583.db2.gz DXXKFXBMNYHWTC-HNNXBMFYSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000970667067 613662380 /nfs/dbraw/zinc/66/23/80/613662380.db2.gz CZHHXRQPIGJBJB-CQSZACIVSA-N 2 0 293.455 1.729 20 30 CDEDRP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000981813358 613679255 /nfs/dbraw/zinc/67/92/55/613679255.db2.gz JKYCSTNMXYJVGQ-OAHLLOKOSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000947684017 613741887 /nfs/dbraw/zinc/74/18/87/613741887.db2.gz FQSWMAXYAZVKHO-UKRRQHHQSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942721039 613742317 /nfs/dbraw/zinc/74/23/17/613742317.db2.gz KRKOUDPURMHJHO-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000974652999 613807511 /nfs/dbraw/zinc/80/75/11/613807511.db2.gz GCTZDKFNYXLCMN-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC000978182283 613835006 /nfs/dbraw/zinc/83/50/06/613835006.db2.gz RSVYLTTXXYGLEV-RFBLXINOSA-N 2 0 291.439 1.197 20 30 CDEDRP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000981414844 613861850 /nfs/dbraw/zinc/86/18/50/613861850.db2.gz PNYPAASQAPLHKE-CVEARBPZSA-N 2 0 293.455 1.921 20 30 CDEDRP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000924966232 618480659 /nfs/dbraw/zinc/48/06/59/618480659.db2.gz QMKVKFPKDQGPPY-ZIAGYGMSSA-N 2 0 266.433 1.540 20 30 CDEDRP O=C1[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCN1O ZINC000895158924 619375427 /nfs/dbraw/zinc/37/54/27/619375427.db2.gz QVOXKQIGAKISSL-AWEZNQCLSA-N 2 0 290.367 1.020 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000911788994 629513560 /nfs/dbraw/zinc/51/35/60/629513560.db2.gz FVECFFUOOGTAFX-CQSZACIVSA-N 2 0 273.380 1.954 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000911875802 629603035 /nfs/dbraw/zinc/60/30/35/629603035.db2.gz ULUDYFLIJYSKMH-AWEZNQCLSA-N 2 0 283.416 1.026 20 30 CDEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C(C)C)C1)NC(C)(C)C ZINC000912496666 630030145 /nfs/dbraw/zinc/03/01/45/630030145.db2.gz AWBQXHZFCNRORX-LBPRGKRZSA-N 2 0 254.422 1.680 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC(=O)OC(C)C ZINC000154576951 632302270 /nfs/dbraw/zinc/30/22/70/632302270.db2.gz FAPFVTPHQZLKAR-ZDUSSCGKSA-N 2 0 298.431 1.107 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211082440 1158682565 /nfs/dbraw/zinc/68/25/65/1158682565.db2.gz SPRFPPJFCYKBAN-HNNXBMFYSA-N 2 0 279.428 1.629 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435952 1162473564 /nfs/dbraw/zinc/47/35/64/1162473564.db2.gz KPKFQJXCTJSEME-GXTWGEPZSA-N 2 0 267.417 1.387 20 30 CDEDRP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001754704272 1159435832 /nfs/dbraw/zinc/43/58/32/1159435832.db2.gz ZWJNSDHTDKDEQE-OAHLLOKOSA-N 2 0 267.417 1.342 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132983850 1163527817 /nfs/dbraw/zinc/52/78/17/1163527817.db2.gz NDQNXINIYQDQDF-UHFFFAOYSA-N 2 0 285.775 1.413 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133908452 1163960351 /nfs/dbraw/zinc/96/03/51/1163960351.db2.gz RTULVFVCEHJMAJ-UHFFFAOYSA-N 2 0 269.433 1.636 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001206653495 1167102025 /nfs/dbraw/zinc/10/20/25/1167102025.db2.gz GKFSCKGGLOWHGO-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C#CC[C@@]1(C(=O)NCC[N@H+]2CCCC2(C)C)CCC[NH2+]1 ZINC001574516122 1170989292 /nfs/dbraw/zinc/98/92/92/1170989292.db2.gz DCBJXEJIARZKKS-INIZCTEOSA-N 2 0 277.412 1.123 20 30 CDEDRP C#CC[N@H+](Cc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)C(=O)O1 ZINC001574674468 1170997857 /nfs/dbraw/zinc/99/78/57/1170997857.db2.gz ZYDFVMMKXQBLOT-HNNXBMFYSA-N 2 0 284.359 1.027 20 30 CDEDRP C=CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001714100119 1178972750 /nfs/dbraw/zinc/97/27/50/1178972750.db2.gz UWJDKSSTLFRAOI-KGLIPLIRSA-N 2 0 267.417 1.531 20 30 CDEDRP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001752708604 1184896936 /nfs/dbraw/zinc/89/69/36/1184896936.db2.gz UUMKJYIDUMSLLY-HUUCEWRRSA-N 2 0 279.428 1.437 20 30 CDEDRP CC#CC[NH2+]C1CCC(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001752850769 1184934088 /nfs/dbraw/zinc/93/40/88/1184934088.db2.gz LUFJLMIMTYBZGB-UHFFFAOYSA-N 2 0 291.439 1.511 20 30 CDEDRP C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001752980062 1184981927 /nfs/dbraw/zinc/98/19/27/1184981927.db2.gz IWGIROISXQKVIV-GJZGRUSLSA-N 2 0 281.444 1.921 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001753106938 1185064115 /nfs/dbraw/zinc/06/41/15/1185064115.db2.gz VNUOSNJPLSSYQL-AWEZNQCLSA-N 2 0 277.412 1.075 20 30 CDEDRP C#CC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC001753301338 1185147852 /nfs/dbraw/zinc/14/78/52/1185147852.db2.gz GQOBBODMBSWKHA-NVXWUHKLSA-N 2 0 299.418 1.409 20 30 CDEDRP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001753462437 1185219270 /nfs/dbraw/zinc/21/92/70/1185219270.db2.gz WFGKNLHUYQAUDU-HOTGVXAUSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001753473207 1185226610 /nfs/dbraw/zinc/22/66/10/1185226610.db2.gz FWLKBTFDDATWIU-JKSUJKDBSA-N 2 0 293.455 1.779 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001753756093 1185328694 /nfs/dbraw/zinc/32/86/94/1185328694.db2.gz ZRFXMVNJAQBOBB-GOEBONIOSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001754337349 1185586678 /nfs/dbraw/zinc/58/66/78/1185586678.db2.gz UPBBLEVRFGEVLJ-HUUCEWRRSA-N 2 0 279.428 1.321 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CCC1 ZINC001754980615 1185778138 /nfs/dbraw/zinc/77/81/38/1185778138.db2.gz KFCACUPSMCHQFS-UHFFFAOYSA-N 2 0 291.439 1.513 20 30 CDEDRP C#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001755036332 1185794726 /nfs/dbraw/zinc/79/47/26/1185794726.db2.gz BQDOBWTXYVOQTR-HNNXBMFYSA-N 2 0 279.428 1.273 20 30 CDEDRP CC#CC[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001755278866 1185887908 /nfs/dbraw/zinc/88/79/08/1185887908.db2.gz ULYLRTQDPZZXJD-UHFFFAOYSA-N 2 0 293.455 1.709 20 30 CDEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001755849018 1186089341 /nfs/dbraw/zinc/08/93/41/1186089341.db2.gz UTTQOOUYEOILGM-AWEZNQCLSA-N 2 0 291.439 1.321 20 30 CDEDRP CCCC[N@H+](C)CCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000304765789 710653841 /nfs/dbraw/zinc/65/38/41/710653841.db2.gz ZSWBVUUVVQFRLY-ZDUSSCGKSA-N 2 0 254.422 1.765 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023573432 705322867 /nfs/dbraw/zinc/32/28/67/705322867.db2.gz ZSLTVTIPHIBPFE-OAHLLOKOSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001045555166 705391236 /nfs/dbraw/zinc/39/12/36/705391236.db2.gz YEKUMIUYUATJRX-GJZGRUSLSA-N 2 0 293.455 1.731 20 30 CDEDRP CCC[N@H+](CC)CCNC(=[NH2+])NCCc1ccccc1 ZINC000176968939 705404473 /nfs/dbraw/zinc/40/44/73/705404473.db2.gz ZGTLEOMWCFVFCH-UHFFFAOYSA-N 2 0 276.428 1.865 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681148 705450216 /nfs/dbraw/zinc/45/02/16/705450216.db2.gz QPZBDWGWNBFLHK-OAHLLOKOSA-N 2 0 279.428 1.581 20 30 CDEDRP C[NH+]=C(NCCCCC[NH+]1CCCCC1)NC1CC1 ZINC000849007665 705495940 /nfs/dbraw/zinc/49/59/40/705495940.db2.gz LANMWNMVJIPHDT-UHFFFAOYSA-N 2 0 266.433 1.970 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC000989800301 705539047 /nfs/dbraw/zinc/53/90/47/705539047.db2.gz QIUKVGRTACPLNJ-QWHCGFSZSA-N 2 0 285.819 1.414 20 30 CDEDRP CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001032433075 705593354 /nfs/dbraw/zinc/59/33/54/705593354.db2.gz ILCJQFHKRDQQPK-JYJNAYRXSA-N 2 0 289.423 1.169 20 30 CDEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001038339791 705593500 /nfs/dbraw/zinc/59/35/00/705593500.db2.gz JVXAYOVGVMKCPF-HOTGVXAUSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001027442316 705689742 /nfs/dbraw/zinc/68/97/42/705689742.db2.gz DESAPPUWDQCXTD-GJZGRUSLSA-N 2 0 279.428 1.435 20 30 CDEDRP C=CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001049647995 705734024 /nfs/dbraw/zinc/73/40/24/705734024.db2.gz RMZGILKKIHRETE-HRCADAONSA-N 2 0 291.439 1.722 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001033423302 705816643 /nfs/dbraw/zinc/81/66/43/705816643.db2.gz MJTYJPFWRAQSSL-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP C#CCN1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015796885 705835927 /nfs/dbraw/zinc/83/59/27/705835927.db2.gz SMTRWNNOHMKASO-CABCVRRESA-N 2 0 277.412 1.073 20 30 CDEDRP C[NH+](C)[C@H](CNC(=[NH2+])N1CCOCC1)C1CCCCC1 ZINC000104167653 705857399 /nfs/dbraw/zinc/85/73/99/705857399.db2.gz CZODRUHFEYGFCT-CQSZACIVSA-N 2 0 282.432 1.144 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997064160 705859393 /nfs/dbraw/zinc/85/93/93/705859393.db2.gz UWUBVFJHDAXKAR-MRXNPFEDSA-N 2 0 291.439 1.463 20 30 CDEDRP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015597379 705922068 /nfs/dbraw/zinc/92/20/68/705922068.db2.gz RBVAOMRJORLTMS-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP CCN(CC)C(=[NH2+])NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000303893718 705923495 /nfs/dbraw/zinc/92/34/95/705923495.db2.gz SCRUFVYFMHWUCS-CYBMUJFWSA-N 2 0 254.422 1.763 20 30 CDEDRP C#CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1CC[NH+](C)CC1 ZINC000886581046 706053156 /nfs/dbraw/zinc/05/31/56/706053156.db2.gz IGXVTNPYKRTMAV-MRXNPFEDSA-N 2 0 293.455 1.663 20 30 CDEDRP CCCCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000303897924 706074004 /nfs/dbraw/zinc/07/40/04/706074004.db2.gz QVIQVQCYJWNYOF-STQMWFEESA-N 2 0 254.422 1.954 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998718073 706155411 /nfs/dbraw/zinc/15/54/11/706155411.db2.gz AWQMUEPZOZKUJN-STQMWFEESA-N 2 0 285.819 1.414 20 30 CDEDRP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886010435 706172638 /nfs/dbraw/zinc/17/26/38/706172638.db2.gz JDRCSSRGTVAPAO-ZIAGYGMSSA-N 2 0 265.401 1.315 20 30 CDEDRP CCC(CC)[C@@H](CNC(=[NH2+])N[C@@H](C)COC)[NH+]1CCCC1 ZINC000303776655 706191699 /nfs/dbraw/zinc/19/16/99/706191699.db2.gz HYIMGGBZSULSLE-DZGCQCFKSA-N 2 0 298.475 1.826 20 30 CDEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C1 ZINC001048862998 706225549 /nfs/dbraw/zinc/22/55/49/706225549.db2.gz CTTDALAZULVOHP-OWCLPIDISA-N 2 0 291.439 1.293 20 30 CDEDRP CC[C@@H]1CN(C(NCC[N@H+](C)C(C)C)=[NH+]C)CCS1 ZINC000262007776 706250520 /nfs/dbraw/zinc/25/05/20/706250520.db2.gz UTBRFHLWMKUZDO-CYBMUJFWSA-N 2 0 286.489 1.729 20 30 CDEDRP C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001018301756 709562294 /nfs/dbraw/zinc/56/22/94/709562294.db2.gz UDKZEXAIRRDYIS-IYBDPMFKSA-N 2 0 291.439 1.724 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001036268457 709783847 /nfs/dbraw/zinc/78/38/47/709783847.db2.gz RTRQKJDTTCUMIO-ZIAGYGMSSA-N 2 0 277.412 1.095 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001022164829 709806351 /nfs/dbraw/zinc/80/63/51/709806351.db2.gz QVEHITQXZMCUFA-ZNMIVQPWSA-N 2 0 279.428 1.674 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000998190510 709810451 /nfs/dbraw/zinc/81/04/51/709810451.db2.gz QIDFBJVVPCJSQS-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NC(C)C ZINC000303895543 709815875 /nfs/dbraw/zinc/81/58/75/709815875.db2.gz TYSYCZYKAPSIEX-CYBMUJFWSA-N 2 0 254.422 1.954 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+](CC)CC2)CC1 ZINC001001470877 709892255 /nfs/dbraw/zinc/89/22/55/709892255.db2.gz AIOIANBYRYNPAC-UHFFFAOYSA-N 2 0 289.423 1.100 20 30 CDEDRP C[C@@H]1CCCC[N@@H+]1CCCNC(=[NH2+])NCC1CCC1 ZINC000104156680 709901237 /nfs/dbraw/zinc/90/12/37/709901237.db2.gz BSCQZWCODPXRAI-CYBMUJFWSA-N 2 0 266.433 1.955 20 30 CDEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052766900 709913789 /nfs/dbraw/zinc/91/37/89/709913789.db2.gz PJYFRNZPYUMQTG-MRXNPFEDSA-N 2 0 291.439 1.322 20 30 CDEDRP C=CC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001027441582 709937088 /nfs/dbraw/zinc/93/70/88/709937088.db2.gz GNVAROCWCAYYAP-HNNXBMFYSA-N 2 0 279.428 1.580 20 30 CDEDRP C#CC[N@H+]1CC[C@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001046851575 709996959 /nfs/dbraw/zinc/99/69/59/709996959.db2.gz HWWNCBVWVUOGQG-SFHVURJKSA-N 2 0 299.418 1.576 20 30 CDEDRP C[NH+]=C(NCCC[N@H+](C)C1CCCCC1)NC1CC1 ZINC000848987817 710013459 /nfs/dbraw/zinc/01/34/59/710013459.db2.gz DHXDSLQRTHRUFI-UHFFFAOYSA-N 2 0 266.433 1.968 20 30 CDEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001001373381 710039596 /nfs/dbraw/zinc/03/95/96/710039596.db2.gz IHRUWDKAXPIMNT-UHFFFAOYSA-N 2 0 289.423 1.407 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001014779839 710089761 /nfs/dbraw/zinc/08/97/61/710089761.db2.gz NZFWNHIJJRCLRY-HOTGVXAUSA-N 2 0 289.423 1.241 20 30 CDEDRP CCOCCCNC(=[NH2+])NC[C@H](CC)[NH+]1CCCC1 ZINC000303900890 710229749 /nfs/dbraw/zinc/22/97/49/710229749.db2.gz SKZODLMYJLWNRX-ZDUSSCGKSA-N 2 0 270.421 1.192 20 30 CDEDRP C#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033218993 710317179 /nfs/dbraw/zinc/31/71/79/710317179.db2.gz WFAYYIWTIRHRTA-HOTGVXAUSA-N 2 0 291.439 1.273 20 30 CDEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001052498931 710333476 /nfs/dbraw/zinc/33/34/76/710333476.db2.gz KVBMOKDYPWLKJV-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001019381780 710393120 /nfs/dbraw/zinc/39/31/20/710393120.db2.gz UQUJQAPCPWNHKU-ZDUSSCGKSA-N 2 0 299.846 1.661 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000987521186 710436899 /nfs/dbraw/zinc/43/68/99/710436899.db2.gz YNQPAFQWUUJEQY-CHWSQXEVSA-N 2 0 285.819 1.414 20 30 CDEDRP C=CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046486746 710472866 /nfs/dbraw/zinc/47/28/66/710472866.db2.gz KGWQBAFZWNETEU-MRXNPFEDSA-N 2 0 284.363 1.715 20 30 CDEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007348046 710519144 /nfs/dbraw/zinc/51/91/44/710519144.db2.gz YNLPUNUMWXNPGF-CABCVRRESA-N 2 0 277.412 1.095 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2cncc2C)[C@@H]1C ZINC000986570582 710545212 /nfs/dbraw/zinc/54/52/12/710545212.db2.gz FTYYDVJWEXUKCI-ZIAGYGMSSA-N 2 0 276.384 1.347 20 30 CDEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000997179467 710578046 /nfs/dbraw/zinc/57/80/46/710578046.db2.gz ANOHRNAFOUOGDQ-GDBMZVCRSA-N 2 0 291.439 1.321 20 30 CDEDRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000304984246 710634536 /nfs/dbraw/zinc/63/45/36/710634536.db2.gz ASMVKSDUGFUDCT-CQSZACIVSA-N 2 0 266.433 1.669 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034793344 710726171 /nfs/dbraw/zinc/72/61/71/710726171.db2.gz XPCGHRSEYNMKAB-MGPQQGTHSA-N 2 0 299.846 1.708 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOC(C)C ZINC000303695840 710830506 /nfs/dbraw/zinc/83/05/06/710830506.db2.gz DRUJDOHDDTVGFH-CYBMUJFWSA-N 2 0 270.421 1.190 20 30 CDEDRP CC(N=NC(N)=[NH2+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779768229 711364664 /nfs/dbraw/zinc/36/46/64/711364664.db2.gz JOEVJJHNMUQYDB-ZDUSSCGKSA-N 2 0 259.357 1.367 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000986812170 711370939 /nfs/dbraw/zinc/37/09/39/711370939.db2.gz OIAGAKCSWDKOOO-DZGCQCFKSA-N 2 0 279.428 1.483 20 30 CDEDRP CCC(CC)[C@@H](CNC(=[NH2+])N1CCSCC1)[NH+](C)C ZINC000303770646 711426439 /nfs/dbraw/zinc/42/64/39/711426439.db2.gz BZZPMPJEDUHWHH-CYBMUJFWSA-N 2 0 286.489 1.716 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001027443378 711454986 /nfs/dbraw/zinc/45/49/86/711454986.db2.gz LDBDKXYUKDIUQT-HZPDHXFCSA-N 2 0 293.455 1.826 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001019652253 711536175 /nfs/dbraw/zinc/53/61/75/711536175.db2.gz IZQYAVULNQQKST-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008762633 711574905 /nfs/dbraw/zinc/57/49/05/711574905.db2.gz VLTMKQYPCQARCR-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041828879 711579931 /nfs/dbraw/zinc/57/99/31/711579931.db2.gz JORXGVATYLVHQU-GOEBONIOSA-N 2 0 277.412 1.049 20 30 CDEDRP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049515639 711654925 /nfs/dbraw/zinc/65/49/25/711654925.db2.gz QVHUTPITFUVCDW-HUUCEWRRSA-N 2 0 289.423 1.169 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001028333262 711679242 /nfs/dbraw/zinc/67/92/42/711679242.db2.gz IAVQLKCKFYOYBP-INIZCTEOSA-N 2 0 291.439 1.321 20 30 CDEDRP C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)CC3(C#N)CCC3)CC[C@@H]21 ZINC000886310715 711750054 /nfs/dbraw/zinc/75/00/54/711750054.db2.gz SUSYPNLUYGDAKG-ILXRZTDVSA-N 2 0 277.412 1.457 20 30 CDEDRP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001027918054 711776323 /nfs/dbraw/zinc/77/63/23/711776323.db2.gz IUWKXLSROSMARG-CVEARBPZSA-N 2 0 291.439 1.465 20 30 CDEDRP C[C@@H](CNC(=[NH2+])N1CCSCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000104168020 711783513 /nfs/dbraw/zinc/78/35/13/711783513.db2.gz LQIWCIHUWSAHRW-OLZOCXBDSA-N 2 0 284.473 1.470 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001074885642 711788977 /nfs/dbraw/zinc/78/89/77/711788977.db2.gz PWIIGIQTJRMNCM-IHRRRGAJSA-N 2 0 267.417 1.482 20 30 CDEDRP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)CC#N)C2)CC1 ZINC000930310694 711795083 /nfs/dbraw/zinc/79/50/83/711795083.db2.gz LTFXFMGRLKRGIA-CYBMUJFWSA-N 2 0 251.374 1.069 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC000987521681 711795654 /nfs/dbraw/zinc/79/56/54/711795654.db2.gz CZOKBPFQFPJESR-KBPBESRZSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001024617993 711803235 /nfs/dbraw/zinc/80/32/35/711803235.db2.gz OJNUHMYXLHMACR-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015929591 711809735 /nfs/dbraw/zinc/80/97/35/711809735.db2.gz YLTJXYMMGKQLCQ-INIZCTEOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015119678 711809858 /nfs/dbraw/zinc/80/98/58/711809858.db2.gz MNUYLCUUZWWMTG-ZDUSSCGKSA-N 2 0 270.336 1.324 20 30 CDEDRP C#CCO[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000812234723 711812485 /nfs/dbraw/zinc/81/24/85/711812485.db2.gz SGGDFOFHIPENBT-UHFFFAOYSA-N 2 0 257.337 1.422 20 30 CDEDRP C#CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000886573383 711812752 /nfs/dbraw/zinc/81/27/52/711812752.db2.gz HGSRMDQJGLRKBE-UHFFFAOYSA-N 2 0 293.455 1.520 20 30 CDEDRP CCOCCCNC(=[NH2+])NCC[N@H+](C)[C@H](C)CC ZINC000303989871 711815197 /nfs/dbraw/zinc/81/51/97/711815197.db2.gz XYYQGKPBKXNKGT-GFCCVEGCSA-N 2 0 258.410 1.048 20 30 CDEDRP CCCCNC(=[NH2+])NCCC[N@@H+]1CCCC[C@@H]1C ZINC000104156645 711818046 /nfs/dbraw/zinc/81/80/46/711818046.db2.gz CWRBUKVVBBJSLR-ZDUSSCGKSA-N 2 0 254.422 1.955 20 30 CDEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001040639026 711820829 /nfs/dbraw/zinc/82/08/29/711820829.db2.gz WVBBZGCPBVCBBZ-OAHLLOKOSA-N 2 0 289.423 1.028 20 30 CDEDRP C#CC[NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000997362817 711832340 /nfs/dbraw/zinc/83/23/40/711832340.db2.gz CHSNKUYILBFUQY-UHFFFAOYSA-N 2 0 277.412 1.076 20 30 CDEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052933764 711834546 /nfs/dbraw/zinc/83/45/46/711834546.db2.gz FGFYUNAKUOWXFA-HOTGVXAUSA-N 2 0 293.455 1.875 20 30 CDEDRP C#C[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000775574003 711835396 /nfs/dbraw/zinc/83/53/96/711835396.db2.gz MYVWNDOXMLEEBF-VHDGCEQUSA-N 2 0 250.386 1.487 20 30 CDEDRP CC#CC[C@H]([NH3+])C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC001574971876 1167643742 /nfs/dbraw/zinc/64/37/42/1167643742.db2.gz JFNLMUNQGKLUMK-GJZGRUSLSA-N 2 0 279.428 1.498 20 30 CDEDRP N#CC1(C[C@H](O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC001580038295 1167708820 /nfs/dbraw/zinc/70/88/20/1167708820.db2.gz JZCRXBLNAQIZFO-XUXIUFHCSA-N 2 0 263.385 1.100 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001088939671 912334178 /nfs/dbraw/zinc/33/41/78/912334178.db2.gz CUPRPWBLLQDPFS-CVEARBPZSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CCOC1CCC([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CC1 ZINC001173323526 912422548 /nfs/dbraw/zinc/42/25/48/912422548.db2.gz DBZSGWPNSPXVOX-PJPHBNEVSA-N 2 0 264.413 1.994 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001089037410 912513814 /nfs/dbraw/zinc/51/38/14/912513814.db2.gz CUQMCCXZDRGEEZ-MCIONIFRSA-N 2 0 265.401 1.093 20 30 CDEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001095242173 912680590 /nfs/dbraw/zinc/68/05/90/912680590.db2.gz HPTIVDUWEQHUSE-FXUDXRNXSA-N 2 0 291.439 1.768 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001106247087 913708491 /nfs/dbraw/zinc/70/84/91/913708491.db2.gz VAEAZZKHNCSNMI-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206872856 894783758 /nfs/dbraw/zinc/78/37/58/894783758.db2.gz WAVNAKDUIHVMMG-OAHLLOKOSA-N 2 0 279.428 1.342 20 30 CDEDRP C#CC[NH2+]CC1(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001167179858 894815532 /nfs/dbraw/zinc/81/55/32/894815532.db2.gz UFMUCCIOQMTTNP-OAHLLOKOSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176309115 914069821 /nfs/dbraw/zinc/06/98/21/914069821.db2.gz KTZJHXPFUHVFRN-UHFFFAOYSA-N 2 0 267.417 1.534 20 30 CDEDRP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001267121589 896854568 /nfs/dbraw/zinc/85/45/68/896854568.db2.gz CENBMYCHYVMLDG-QWHCGFSZSA-N 2 0 253.390 1.141 20 30 CDEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001106673128 914125002 /nfs/dbraw/zinc/12/50/02/914125002.db2.gz CYLKMAFNIAIRMC-OAGGEKHMSA-N 2 0 295.471 1.977 20 30 CDEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176753924 914259544 /nfs/dbraw/zinc/25/95/44/914259544.db2.gz OMCVUGFIXYESNI-CQSZACIVSA-N 2 0 267.417 1.224 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001028098000 901328632 /nfs/dbraw/zinc/32/86/32/901328632.db2.gz JJZVWHKZACTTAA-JYJNAYRXSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001270293460 904511142 /nfs/dbraw/zinc/51/11/42/904511142.db2.gz RERBTMFHCFGGDC-KGLIPLIRSA-N 2 0 267.417 1.339 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001087573784 905698222 /nfs/dbraw/zinc/69/82/22/905698222.db2.gz DTVKOGQMUIFMLD-HRCADAONSA-N 2 0 291.439 1.483 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1CC ZINC001087578296 905708334 /nfs/dbraw/zinc/70/83/34/905708334.db2.gz MMOPWFUDRLWXGH-LVQVYYBASA-N 2 0 291.439 1.319 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001088334617 906945330 /nfs/dbraw/zinc/94/53/30/906945330.db2.gz MHMUBMYOWZKIEZ-HUUCEWRRSA-N 2 0 279.428 1.321 20 30 CDEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCCC2(C[NH+](C)C2)C1 ZINC001271953333 907028318 /nfs/dbraw/zinc/02/83/18/907028318.db2.gz AXBUGFRDWKNLII-UHFFFAOYSA-N 2 0 277.412 1.193 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001229171242 908016372 /nfs/dbraw/zinc/01/63/72/908016372.db2.gz LKTZYYMFYXKXEB-MRXNPFEDSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001168320663 909021832 /nfs/dbraw/zinc/02/18/32/909021832.db2.gz JAHCVSYUTSBROH-UHFFFAOYSA-N 2 0 293.455 1.925 20 30 CDEDRP C[C@@H](CCCC#N)[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001172489936 911727322 /nfs/dbraw/zinc/72/73/22/911727322.db2.gz SXKYBXFZLHUSLM-AWEZNQCLSA-N 2 0 252.406 1.296 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001179471721 915849176 /nfs/dbraw/zinc/84/91/76/915849176.db2.gz AFULFGSLPNRVSU-HOCLYGCPSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@H]1C ZINC001179521109 915854713 /nfs/dbraw/zinc/85/47/13/915854713.db2.gz IBCKYBXZGMEGPW-KKUMJFAQSA-N 2 0 279.428 1.319 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C[NH+](CC)CC)[C@H]1C ZINC001179744243 915963232 /nfs/dbraw/zinc/96/32/32/915963232.db2.gz JMZSDVASJYLDCN-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001179929176 916073042 /nfs/dbraw/zinc/07/30/42/916073042.db2.gz GCXWBTRKESRZRO-GJZGRUSLSA-N 2 0 291.439 1.627 20 30 CDEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001179983248 916102775 /nfs/dbraw/zinc/10/27/75/916102775.db2.gz QYEFVGMIQCKVRI-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001484999967 916364423 /nfs/dbraw/zinc/36/44/23/916364423.db2.gz JIFKGFZWEIPBPB-STQMWFEESA-N 2 0 276.384 1.096 20 30 CDEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C1CCCC1 ZINC001180630243 916529061 /nfs/dbraw/zinc/52/90/61/916529061.db2.gz GGYIEQCVFKQTHY-HNNXBMFYSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001097848767 936394364 /nfs/dbraw/zinc/39/43/64/936394364.db2.gz UFPDKTXGZUUJSK-FPCVCCKLSA-N 2 0 291.439 1.768 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001182637936 917997694 /nfs/dbraw/zinc/99/76/94/917997694.db2.gz SBBKBTIVJXBREL-IJEWVQPXSA-N 2 0 281.444 1.587 20 30 CDEDRP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273487484 919192646 /nfs/dbraw/zinc/19/26/46/919192646.db2.gz LGWXICLKGLYJFP-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001078782440 920461104 /nfs/dbraw/zinc/46/11/04/920461104.db2.gz AAAXLZQXWDXLGG-ZIAGYGMSSA-N 2 0 289.423 1.285 20 30 CDEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001187298550 920483990 /nfs/dbraw/zinc/48/39/90/920483990.db2.gz IVIZWYHHTFIHAK-OAHLLOKOSA-N 2 0 297.443 1.111 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001005663185 922775833 /nfs/dbraw/zinc/77/58/33/922775833.db2.gz UPIJFSFHZLCMSG-UHFFFAOYSA-N 2 0 291.439 1.724 20 30 CDEDRP C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099240927 936783771 /nfs/dbraw/zinc/78/37/71/936783771.db2.gz WDLKWPADVJWOHZ-CABCVRRESA-N 2 0 293.455 1.567 20 30 CDEDRP C=CCNC(=[NH2+])NCc1ccccc1N1CC[NH+](C)CC1 ZINC001118411242 924440151 /nfs/dbraw/zinc/44/01/51/924440151.db2.gz XYCXGYLYWCNARC-UHFFFAOYSA-N 2 0 287.411 1.238 20 30 CDEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001080011886 924468033 /nfs/dbraw/zinc/46/80/33/924468033.db2.gz LFLGRJFICHBNRZ-MLGOLLRUSA-N 2 0 296.374 1.326 20 30 CDEDRP C=CC[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197886026 925257391 /nfs/dbraw/zinc/25/73/91/925257391.db2.gz OZUIUNWDPVMUKG-UHFFFAOYSA-N 2 0 267.417 1.439 20 30 CDEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001198097820 925324385 /nfs/dbraw/zinc/32/43/85/925324385.db2.gz IOAVOECRSPHFKK-JKSUJKDBSA-N 2 0 293.455 1.827 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048913 937039120 /nfs/dbraw/zinc/03/91/20/937039120.db2.gz UTMHUHCIFINEGU-BMFZPTHFSA-N 2 0 293.455 1.587 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102059371 937039311 /nfs/dbraw/zinc/03/93/11/937039311.db2.gz MSKUHNVELRPONG-OAGGEKHMSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102480585 937059624 /nfs/dbraw/zinc/05/96/24/937059624.db2.gz XZEJVLLZYITGJJ-HZPDHXFCSA-N 2 0 293.455 1.588 20 30 CDEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102599263 937068100 /nfs/dbraw/zinc/06/81/00/937068100.db2.gz VYBITVJWOOXQAN-HZPDHXFCSA-N 2 0 291.439 1.180 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001085987505 926571383 /nfs/dbraw/zinc/57/13/83/926571383.db2.gz DYGNPUKMRYXNIT-CVEARBPZSA-N 2 0 293.455 1.970 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001086327082 926996032 /nfs/dbraw/zinc/99/60/32/926996032.db2.gz OOHMOHMTGUZXJX-JHJVBQTASA-N 2 0 285.819 1.318 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001086402586 927080994 /nfs/dbraw/zinc/08/09/94/927080994.db2.gz YODWMDWSLSNPJB-MGPQQGTHSA-N 2 0 299.846 1.708 20 30 CDEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722365 937152343 /nfs/dbraw/zinc/15/23/43/937152343.db2.gz KJRVROUJKCPNGR-HZPDHXFCSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109649736 929000214 /nfs/dbraw/zinc/00/02/14/929000214.db2.gz BHACBZFIVKTPCO-ILXRZTDVSA-N 2 0 291.439 1.626 20 30 CDEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001114997934 937315397 /nfs/dbraw/zinc/31/53/97/937315397.db2.gz NWGLTNKQVOWZAO-AIANPOQGSA-N 2 0 293.455 1.729 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001170742647 929670207 /nfs/dbraw/zinc/67/02/07/929670207.db2.gz MNMJMFFOYWFIKJ-HOTGVXAUSA-N 2 0 293.455 1.757 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134729516 929866827 /nfs/dbraw/zinc/86/68/27/929866827.db2.gz IZFNGYNRDHEJLD-HUUCEWRRSA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134759227 929885863 /nfs/dbraw/zinc/88/58/63/929885863.db2.gz JDJISJMSMVLMCZ-ZDUSSCGKSA-N 2 0 287.835 1.708 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134891907 929948914 /nfs/dbraw/zinc/94/89/14/929948914.db2.gz IFQCLGJQDOUISA-ZIAGYGMSSA-N 2 0 298.390 1.844 20 30 CDEDRP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135371011 930173488 /nfs/dbraw/zinc/17/34/88/930173488.db2.gz CMJJIQWVKVTFOK-KGLIPLIRSA-N 2 0 285.432 1.014 20 30 CDEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135379583 930178013 /nfs/dbraw/zinc/17/80/13/930178013.db2.gz RHYZFKARSIGVQU-KBPBESRZSA-N 2 0 279.428 1.224 20 30 CDEDRP C=CCCCCC[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135511352 930243512 /nfs/dbraw/zinc/24/35/12/930243512.db2.gz ODHUBQBXGHHNEV-UHFFFAOYSA-N 2 0 269.433 1.780 20 30 CDEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135607541 930288613 /nfs/dbraw/zinc/28/86/13/930288613.db2.gz AHZNOZLDBJFYOF-UONOGXRCSA-N 2 0 281.444 1.777 20 30 CDEDRP N#Cc1c[nH]c2nc(Cl)cc(N[C@H]([NH3+])CCC[NH3+])c12 ZINC001170897032 930690543 /nfs/dbraw/zinc/69/05/43/930690543.db2.gz KGPBXMPGZJCBJH-JTQLQIEISA-N 2 0 278.747 1.524 20 30 CDEDRP C=CC[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153308772 937438118 /nfs/dbraw/zinc/43/81/18/937438118.db2.gz FMECHGFIBBTUSX-UHFFFAOYSA-N 2 0 253.390 1.144 20 30 CDEDRP C=CCCCC[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001274975205 931622911 /nfs/dbraw/zinc/62/29/11/931622911.db2.gz YTWHIAIFGHIERQ-UHFFFAOYSA-N 2 0 251.418 1.522 20 30 CDEDRP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001275290409 931725215 /nfs/dbraw/zinc/72/52/15/931725215.db2.gz KHGSQGWUADXUOC-HDICACEKSA-N 2 0 298.434 1.768 20 30 CDEDRP CCCCN(CC#N)C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001160728904 932055163 /nfs/dbraw/zinc/05/51/63/932055163.db2.gz GPRINGZSOGNWHM-ZDUSSCGKSA-N 2 0 268.405 1.198 20 30 CDEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171238611 932090397 /nfs/dbraw/zinc/09/03/97/932090397.db2.gz WPYGYBUTGYTZPO-CQSZACIVSA-N 2 0 281.444 1.921 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001091377784 932122880 /nfs/dbraw/zinc/12/28/80/932122880.db2.gz AFZCQYCURAPEJU-UYSNPLJNSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCCC[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171294033 932413982 /nfs/dbraw/zinc/41/39/82/932413982.db2.gz PVWRFZJTCPJHBM-UHFFFAOYSA-N 2 0 265.401 1.144 20 30 CDEDRP C=CCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001147359765 932481936 /nfs/dbraw/zinc/48/19/36/932481936.db2.gz VDHAVNQRACNZMB-HNNXBMFYSA-N 2 0 281.444 1.923 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001147359512 932482575 /nfs/dbraw/zinc/48/25/75/932482575.db2.gz QVZQVSFISLANIE-OAHLLOKOSA-N 2 0 279.428 1.370 20 30 CDEDRP C#CCC[NH2+]CCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001147410702 932503312 /nfs/dbraw/zinc/50/33/12/932503312.db2.gz TYFKAXYKNYYINR-KRWDZBQOSA-N 2 0 287.407 1.193 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147834226 932615236 /nfs/dbraw/zinc/61/52/36/932615236.db2.gz FYAQLVCQKHGKEA-HUUCEWRRSA-N 2 0 281.444 1.779 20 30 CDEDRP C[C@@H](C[NH+](C)C)Nc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001155915061 937688675 /nfs/dbraw/zinc/68/86/75/937688675.db2.gz PZBYFMSCQWEVNX-NSHDSACASA-N 2 0 273.384 1.351 20 30 CDEDRP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298706 934528229 /nfs/dbraw/zinc/52/82/29/934528229.db2.gz MRWFMMOHWNWRNR-KFWWJZLASA-N 2 0 277.412 1.073 20 30 CDEDRP C=C[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001253597588 935312762 /nfs/dbraw/zinc/31/27/62/935312762.db2.gz GAMZWRITKRAHRF-JKSUJKDBSA-N 2 0 260.381 1.645 20 30 CDEDRP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001096104941 935956681 /nfs/dbraw/zinc/95/66/81/935956681.db2.gz UAVCEBPYIKKIMA-PMPSAXMXSA-N 2 0 289.423 1.073 20 30 CDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001121260377 937864269 /nfs/dbraw/zinc/86/42/69/937864269.db2.gz BIBVCIGDDJSMAW-LETWWHAPSA-N 2 0 293.455 1.776 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001121914573 937890101 /nfs/dbraw/zinc/89/01/01/937890101.db2.gz XKFHVVMJCWNSOC-ILXRZTDVSA-N 2 0 281.444 1.907 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC001121922426 937890589 /nfs/dbraw/zinc/89/05/89/937890589.db2.gz IZQFYQJRRSQNMN-STQMWFEESA-N 2 0 269.433 1.763 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001122136444 937907876 /nfs/dbraw/zinc/90/78/76/937907876.db2.gz JVARKKDNWLPUDF-UONOGXRCSA-N 2 0 281.444 1.907 20 30 CDEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001159327430 938722144 /nfs/dbraw/zinc/72/21/44/938722144.db2.gz JTQWBYXGFXHHDD-ZDUSSCGKSA-N 2 0 287.835 1.709 20 30 CDEDRP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001159335172 938722892 /nfs/dbraw/zinc/72/28/92/938722892.db2.gz UCXXCYYUQAVESK-OAHLLOKOSA-N 2 0 297.443 1.159 20 30 CDEDRP N#Cc1c(Cl)nccc1C(F)(F)N[C@H]([NH3+])CCC[NH3+] ZINC001159778916 938752135 /nfs/dbraw/zinc/75/21/35/938752135.db2.gz BSOGHNGOSXSZMZ-VIFPVBQESA-N 2 0 289.717 1.269 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160267551 938778363 /nfs/dbraw/zinc/77/83/63/938778363.db2.gz NFAUOXZCZLPMMD-CYBMUJFWSA-N 2 0 253.390 1.143 20 30 CDEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161879187 938939591 /nfs/dbraw/zinc/93/95/91/938939591.db2.gz IWCXEHBYWWCMCD-UHFFFAOYSA-N 2 0 291.439 1.797 20 30 CDEDRP C[C@@H]1CC[C@@H](C[NH3+])N(c2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001164061639 939402396 /nfs/dbraw/zinc/40/23/96/939402396.db2.gz GDPYPHIJVKDWFF-OCCSQVGLSA-N 2 0 299.422 1.553 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203633048 939698773 /nfs/dbraw/zinc/69/87/73/939698773.db2.gz WASJQYJBBBKSSY-GJZGRUSLSA-N 2 0 291.439 1.369 20 30 CDEDRP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205242088 939841337 /nfs/dbraw/zinc/84/13/37/939841337.db2.gz WBBFVPWJDQBBPV-MRXNPFEDSA-N 2 0 273.380 1.542 20 30 CDEDRP N#CCOc1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001205673929 939915628 /nfs/dbraw/zinc/91/56/28/939915628.db2.gz VULVFSXXUCEGNX-MRXNPFEDSA-N 2 0 289.379 1.265 20 30 CDEDRP C#CCC[NH2+]CC1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001206890232 940108078 /nfs/dbraw/zinc/10/80/78/940108078.db2.gz HLEJQXGLOJENJT-UHFFFAOYSA-N 2 0 279.428 1.180 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208447992 940330818 /nfs/dbraw/zinc/33/08/18/940330818.db2.gz SWHQKZUVLTYHBR-CQSZACIVSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208677308 940368923 /nfs/dbraw/zinc/36/89/23/940368923.db2.gz YSCYRPGMOLBSNS-HUUCEWRRSA-N 2 0 295.471 1.977 20 30 CDEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001209689049 940625615 /nfs/dbraw/zinc/62/56/15/940625615.db2.gz JBSPXEDGYQPCQO-HNNXBMFYSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210494859 940694556 /nfs/dbraw/zinc/69/45/56/940694556.db2.gz YFUJPZTXSOBPKE-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210744666 940709947 /nfs/dbraw/zinc/70/99/47/940709947.db2.gz SWYABKJNNFKHHC-OAHLLOKOSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216458877 940939719 /nfs/dbraw/zinc/93/97/19/940939719.db2.gz GEFQJUGKZAMICD-HUUCEWRRSA-N 2 0 281.444 1.731 20 30 CDEDRP C=C1C[NH2+][C@](C)(C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC001220501149 941451462 /nfs/dbraw/zinc/45/14/62/941451462.db2.gz NWOGZTNZWDNVDE-HIFRSBDPSA-N 2 0 259.353 1.111 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC001220868417 941478435 /nfs/dbraw/zinc/47/84/35/941478435.db2.gz IOLMURWLYNCOCH-KGLIPLIRSA-N 2 0 265.401 1.143 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221771546 941550446 /nfs/dbraw/zinc/55/04/46/941550446.db2.gz ALIKZGWUJHJRGA-HUUCEWRRSA-N 2 0 291.439 1.437 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001228623931 942343592 /nfs/dbraw/zinc/34/35/92/942343592.db2.gz NIPYWRMPPJFRDM-HUUCEWRRSA-N 2 0 293.455 1.615 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001229692621 942513667 /nfs/dbraw/zinc/51/36/67/942513667.db2.gz JSOKCAJFVNOEJZ-BZUAXINKSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001229808489 942533787 /nfs/dbraw/zinc/53/37/87/942533787.db2.gz RZILXTQOBDJGTG-HUUCEWRRSA-N 2 0 281.444 1.921 20 30 CDEDRP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001316615187 942628386 /nfs/dbraw/zinc/62/83/86/942628386.db2.gz CWSHJALLKFSLDR-QLFBSQMISA-N 2 0 297.418 1.174 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001235513373 944182574 /nfs/dbraw/zinc/18/25/74/944182574.db2.gz OMCBHMMWIQVFAL-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C[N@@H+](Cc1cn2cc(C#N)ccc2n1)CC1CC[NH+](C)CC1 ZINC001237614745 944889713 /nfs/dbraw/zinc/88/97/13/944889713.db2.gz RIJXAGAAHNNCNA-UHFFFAOYSA-N 2 0 297.406 1.980 20 30 CDEDRP N#Cc1cc(-c2c[nH+]ccc2N)cc(C2C[NH2+]C2)c1 ZINC001240351245 945799928 /nfs/dbraw/zinc/79/99/28/945799928.db2.gz NBJVKCUXLYVWRG-UHFFFAOYSA-N 2 0 250.305 1.720 20 30 CDEDRP C[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1cccc(C#N)c1 ZINC001246198104 948024584 /nfs/dbraw/zinc/02/45/84/948024584.db2.gz CPFGXYNVHYRTIN-WFASDCNBSA-N 2 0 270.380 1.303 20 30 CDEDRP C=CCC[C@@H](C)[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246860054 948485710 /nfs/dbraw/zinc/48/57/10/948485710.db2.gz RPFHLJVSZOIDKU-GAGVYUBLSA-N 2 0 292.423 1.672 20 30 CDEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246860235 948485859 /nfs/dbraw/zinc/48/58/59/948485859.db2.gz NMYLCDAORFOGSC-QIXHYMPYSA-N 2 0 285.391 1.395 20 30 CDEDRP C=C[C@@H](O)C[NH2+]CC1CC[NH+](CC2CCC2)CC1 ZINC001253606628 951990497 /nfs/dbraw/zinc/99/04/97/951990497.db2.gz LGAXRALWZIRFPM-OAHLLOKOSA-N 2 0 252.402 1.635 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001491600178 955308042 /nfs/dbraw/zinc/30/80/42/955308042.db2.gz DNHCLFIVVMHKHU-GFCCVEGCSA-N 2 0 287.835 1.565 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCC1 ZINC001424224884 957161139 /nfs/dbraw/zinc/16/11/39/957161139.db2.gz NSQSPQZCEGEXMT-LBPRGKRZSA-N 2 0 287.835 1.708 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001317183728 957329118 /nfs/dbraw/zinc/32/91/18/957329118.db2.gz IPOHMPAVNQGVSV-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001371212279 972418979 /nfs/dbraw/zinc/41/89/79/972418979.db2.gz MCEPQHHYEFLJGY-NSHDSACASA-N 2 0 273.808 1.318 20 30 CDEDRP CC(C)N(C)CC[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001336775286 960572510 /nfs/dbraw/zinc/57/25/10/960572510.db2.gz ZJTCAQVLCQATAY-UHFFFAOYSA-N 2 0 288.395 1.817 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001340042195 962704627 /nfs/dbraw/zinc/70/46/27/962704627.db2.gz UYLRIHDZJILXHQ-MJBXVCDLSA-N 2 0 265.401 1.413 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001100411711 968273455 /nfs/dbraw/zinc/27/34/55/968273455.db2.gz OZXXKHBHXQZRID-UHFFFAOYSA-N 2 0 279.428 1.531 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001100442440 968365520 /nfs/dbraw/zinc/36/55/20/968365520.db2.gz HORMVHLWEWYOSP-JXQTWKCFSA-N 2 0 267.417 1.387 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001100680879 968938799 /nfs/dbraw/zinc/93/87/99/968938799.db2.gz JVPARDFFMJHSDG-UHFFFAOYSA-N 2 0 293.455 1.779 20 30 CDEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001100683554 968943391 /nfs/dbraw/zinc/94/33/91/968943391.db2.gz HFOPNDPGFJOWAI-NRXISQOPSA-N 2 0 281.444 1.777 20 30 CDEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001100685132 968946392 /nfs/dbraw/zinc/94/63/92/968946392.db2.gz AMQWXFICOXRJAU-NRXISQOPSA-N 2 0 281.444 1.777 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001357474930 969602475 /nfs/dbraw/zinc/60/24/75/969602475.db2.gz SFZGGGKGMNSHRC-ILXRZTDVSA-N 2 0 295.427 1.025 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001357991795 969676945 /nfs/dbraw/zinc/67/69/45/969676945.db2.gz DQKQPNXVROQJHA-XJFOESAGSA-N 2 0 265.401 1.317 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001380152010 976267015 /nfs/dbraw/zinc/26/70/15/976267015.db2.gz NIVCQLIVQYTAKI-UHFFFAOYSA-N 2 0 299.846 1.709 20 30 CDEDRP C#CCC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132268675 1163220072 /nfs/dbraw/zinc/22/00/72/1163220072.db2.gz AJUQLFSILNKZOH-LSDHHAIUSA-N 2 0 279.428 1.321 20 30 CDEDRP C=CCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132278485 1163227011 /nfs/dbraw/zinc/22/70/11/1163227011.db2.gz PLEDMKDYMUQVRC-ZIAGYGMSSA-N 2 0 267.417 1.483 20 30 CDEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132882283 1163502889 /nfs/dbraw/zinc/50/28/89/1163502889.db2.gz CQAPQFNAJCBARK-RYUDHWBXSA-N 2 0 273.808 1.175 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001133191662 1163602974 /nfs/dbraw/zinc/60/29/74/1163602974.db2.gz RFBUUDYBFCSMSC-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC1 ZINC001570116965 1170086054 /nfs/dbraw/zinc/08/60/54/1170086054.db2.gz RPIXKVNJGCGUHA-CQSZACIVSA-N 2 0 279.428 1.224 20 30 CDEDRP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001570534270 1170181614 /nfs/dbraw/zinc/18/16/14/1170181614.db2.gz FZFLXPIJWPQEJF-LSDHHAIUSA-N 2 0 281.444 1.826 20 30 CDEDRP C#CC[C@H](CCOC)[NH2+][C@@H]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001574504627 1170988890 /nfs/dbraw/zinc/98/88/90/1170988890.db2.gz LHGPVKXWLBWACL-JJXSEGSLSA-N 2 0 264.413 1.925 20 30 CDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001574851579 1171023345 /nfs/dbraw/zinc/02/33/45/1171023345.db2.gz HWHISEHIMXLCNK-AXFHLTTASA-N 2 0 273.808 1.301 20 30 CDEDRP C=CCN(C)CC[N@@H+](CC)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC001574920920 1171049363 /nfs/dbraw/zinc/04/93/63/1171049363.db2.gz MZKAUBASGIRNRC-JKSUJKDBSA-N 2 0 281.444 1.195 20 30 CDEDRP C=CCCC[N@@H+](CC)C[C@H]1CC2(C[NH2+]C2)C(=O)O1 ZINC001574922018 1171050698 /nfs/dbraw/zinc/05/06/98/1171050698.db2.gz PXNHAAAMRVJBQT-GFCCVEGCSA-N 2 0 252.358 1.180 20 30 CDEDRP CC[NH2+]CC1CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC001577836921 1171752478 /nfs/dbraw/zinc/75/24/78/1171752478.db2.gz AEIADZSOXBOIRO-AWEZNQCLSA-N 2 0 265.401 1.363 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000601004938 342457726 /nfs/dbraw/zinc/45/77/26/342457726.db2.gz FPKQYINZSHLTMX-HNNXBMFYSA-N 2 0 279.428 1.627 20 30 CDEDRP CC[NH+](CC)CCC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598705057 343877281 /nfs/dbraw/zinc/87/72/81/343877281.db2.gz XSKQKYVMPAQHGD-ZDUSSCGKSA-N 2 0 255.406 1.609 20 30 CDEDRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598718389 343882650 /nfs/dbraw/zinc/88/26/50/343882650.db2.gz AVASOMSYCUSHIS-ZIAGYGMSSA-N 2 0 267.417 1.609 20 30 CDEDRP C=CCC[C@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353158740 346062276 /nfs/dbraw/zinc/06/22/76/346062276.db2.gz ZTZBMGXLVQYKHM-IXXDHKBRSA-N 2 0 252.402 1.871 20 30 CDEDRP C[C@@H]1C[C@@H](N(C)CC(=O)N[C@](C)(C#N)C2CC2)CC[N@@H+]1C ZINC000246955860 360976559 /nfs/dbraw/zinc/97/65/59/360976559.db2.gz RGXWDKYGTCRYOZ-IVMMDQJWSA-N 2 0 292.427 1.209 20 30 CDEDRP C[C@@H]1C[C@H](N(C)CC(=O)N[C@](C)(C#N)C2CC2)CC[N@@H+]1C ZINC000246955878 360976722 /nfs/dbraw/zinc/97/67/22/360976722.db2.gz RGXWDKYGTCRYOZ-XNRPHZJLSA-N 2 0 292.427 1.209 20 30 CDEDRP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170912035 365162262 /nfs/dbraw/zinc/16/22/62/365162262.db2.gz LELGPZQTFLWBFP-ZDUSSCGKSA-N 2 0 275.400 1.929 20 30 CDEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])NCc1ccccc1OC ZINC000170914450 365164053 /nfs/dbraw/zinc/16/40/53/365164053.db2.gz TXXAAEJDWGLWRE-ZDUSSCGKSA-N 2 0 292.427 1.830 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000578141159 372313407 /nfs/dbraw/zinc/31/34/07/372313407.db2.gz AXSKEAPQRUIHFV-UHFFFAOYSA-N 2 0 279.428 1.485 20 30 CDEDRP CC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000072859769 376811485 /nfs/dbraw/zinc/81/14/85/376811485.db2.gz MCFREMQWVAFLDA-KBPBESRZSA-N 2 0 280.416 1.021 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000155968869 390920620 /nfs/dbraw/zinc/92/06/20/390920620.db2.gz YGKOTHHDDVPHLA-OAHLLOKOSA-N 2 0 281.444 1.729 20 30 CDEDRP C[NH+]=C(NCc1ccc(F)c(C[NH+](C)C)c1)NC1CC1 ZINC000265223425 391153253 /nfs/dbraw/zinc/15/32/53/391153253.db2.gz SMQUJHPPLHZUDY-UHFFFAOYSA-N 2 0 278.375 1.715 20 30 CDEDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442721841 391746250 /nfs/dbraw/zinc/74/62/50/391746250.db2.gz WAZBDIZHANWBED-KFWWJZLASA-N 2 0 264.417 1.294 20 30 CDEDRP CN1CC[NH+]=C1NCCC[N@H+](C)Cc1ccccc1 ZINC000284992328 391987853 /nfs/dbraw/zinc/98/78/53/391987853.db2.gz HNUYNKFDRKRSBF-UHFFFAOYSA-N 2 0 260.385 1.400 20 30 CDEDRP C[NH+]=C(NCc1ccco1)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158356728 261163714 /nfs/dbraw/zinc/16/37/14/261163714.db2.gz GWOHDYFMUBRRGL-JSGCOSHPSA-N 2 0 278.400 1.673 20 30 CDEDRP C[C@@H](CNC(=[NH2+])NC1CC1)N1CCc2ccccc2C1 ZINC000161534376 261250329 /nfs/dbraw/zinc/25/03/29/261250329.db2.gz UHYASSHSJLNADA-LBPRGKRZSA-N 2 0 272.396 1.500 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC000106034080 261320535 /nfs/dbraw/zinc/32/05/35/261320535.db2.gz XWIMNWMXIVRFCA-UHFFFAOYSA-N 2 0 267.417 1.483 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)c1nccs1 ZINC000273355930 263015971 /nfs/dbraw/zinc/01/59/71/263015971.db2.gz BYUCPUWRAHXMCM-NEPJUHHUSA-N 2 0 295.456 1.635 20 30 CDEDRP CN(C(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000273377831 263016261 /nfs/dbraw/zinc/01/62/61/263016261.db2.gz WYVYGPRQOLCYQR-UHFFFAOYSA-N 2 0 290.411 1.536 20 30 CDEDRP C[NH+]=C(NCCC1=CCCCC1)NC[C@H]1CC[N@H+](C)C1 ZINC000073448858 264289709 /nfs/dbraw/zinc/28/97/09/264289709.db2.gz UJZDGTIZPBBQPX-OAHLLOKOSA-N 2 0 278.444 1.994 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cscc1C ZINC000262752246 330029259 /nfs/dbraw/zinc/02/92/59/330029259.db2.gz CGEXEEKVNKJLDW-ZDUSSCGKSA-N 2 0 280.441 1.945 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@]1(O)CCCC1(C)C ZINC000263209199 330049181 /nfs/dbraw/zinc/04/91/81/330049181.db2.gz YTZXRHBAMIKTMK-XJKSGUPXSA-N 2 0 296.459 1.316 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000424148055 330294895 /nfs/dbraw/zinc/29/48/95/330294895.db2.gz SZBSKDYCCUDKOB-CABCVRRESA-N 2 0 292.427 1.388 20 30 CDEDRP C#CCN(C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000491209481 332166161 /nfs/dbraw/zinc/16/61/61/332166161.db2.gz HVDBBORGSLXGFH-BZUAXINKSA-N 2 0 263.429 1.404 20 30 CDEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC#CCOC)C1 ZINC000677820107 482795584 /nfs/dbraw/zinc/79/55/84/482795584.db2.gz GLJJQLIDHCQSQB-HNNXBMFYSA-N 2 0 268.401 1.069 20 30 CDEDRP CC[C@@]1([NH2+]CC#CC[NH2+][C@]2(CC)CCOC2)CCOC1 ZINC000671243688 483198465 /nfs/dbraw/zinc/19/84/65/483198465.db2.gz JKXYFMQSBOSJJN-HZPDHXFCSA-N 2 0 280.412 1.307 20 30 CDEDRP C[C@H]1CC(=Nn2cc(Br)cn2)CC[N@@H+]1C ZINC000752746693 577122922 /nfs/dbraw/zinc/12/29/22/577122922.db2.gz SWWJBHHXXQHDEP-QMMMGPOBSA-N 2 0 271.162 1.964 20 30 CDEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000969792755 612996498 /nfs/dbraw/zinc/99/64/98/612996498.db2.gz KNZLGGCJEPALDZ-HOCLYGCPSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000969705723 612996820 /nfs/dbraw/zinc/99/68/20/612996820.db2.gz BEOFYPKYOZISHZ-CWRNSKLLSA-N 2 0 291.439 1.177 20 30 CDEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975045046 613031524 /nfs/dbraw/zinc/03/15/24/613031524.db2.gz YHZFLBRHBGPEMD-LSDHHAIUSA-N 2 0 291.439 1.178 20 30 CDEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000969676806 613298917 /nfs/dbraw/zinc/29/89/17/613298917.db2.gz JBEVNPJCKDNMQR-CZUORRHYSA-N 2 0 291.439 1.341 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000981960900 613311561 /nfs/dbraw/zinc/31/15/61/613311561.db2.gz ZUCQPEAAFBMCPD-CABCVRRESA-N 2 0 279.428 1.295 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000960582697 613344888 /nfs/dbraw/zinc/34/48/88/613344888.db2.gz VJZMPFBXOIPELK-LJISPDSOSA-N 2 0 277.412 1.093 20 30 CDEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000969411376 613483050 /nfs/dbraw/zinc/48/30/50/613483050.db2.gz JUWRDKKBIORJTL-TZMCWYRMSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000969969924 613485198 /nfs/dbraw/zinc/48/51/98/613485198.db2.gz QFBVDXRBVZSASC-ZFWWWQNUSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944944025 613520667 /nfs/dbraw/zinc/52/06/67/613520667.db2.gz LHFYWTPPIXCKQT-LSDHHAIUSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[NH+]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975029571 613554058 /nfs/dbraw/zinc/55/40/58/613554058.db2.gz BYJWAYARPAPEML-GJZGRUSLSA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947934267 613577640 /nfs/dbraw/zinc/57/76/40/613577640.db2.gz JWOBCHABAFALTF-LSDHHAIUSA-N 2 0 289.423 1.075 20 30 CDEDRP CC#CC[N@@H+]1C[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977450504 613621084 /nfs/dbraw/zinc/62/10/84/613621084.db2.gz FQAZAVFOMLFMOV-CABCVRRESA-N 2 0 291.439 1.178 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972233985 613627409 /nfs/dbraw/zinc/62/74/09/613627409.db2.gz FESGJTWMUVDJHA-AWEZNQCLSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000971781395 613630980 /nfs/dbraw/zinc/63/09/80/613630980.db2.gz JCBNHLYEKBWEGH-QWHCGFSZSA-N 2 0 253.390 1.045 20 30 CDEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000970064030 613666560 /nfs/dbraw/zinc/66/65/60/613666560.db2.gz AMMWPKZQYUAFTN-GFCCVEGCSA-N 2 0 284.363 1.570 20 30 CDEDRP C=CC[NH2+]C1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000963860887 613859220 /nfs/dbraw/zinc/85/92/20/613859220.db2.gz DFAKKOQZSBBVIB-UHFFFAOYSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000968904387 613864758 /nfs/dbraw/zinc/86/47/58/613864758.db2.gz RNHXJHRQWOCTCI-HUUCEWRRSA-N 2 0 279.428 1.341 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000968904388 613865349 /nfs/dbraw/zinc/86/53/49/613865349.db2.gz RNHXJHRQWOCTCI-LSDHHAIUSA-N 2 0 279.428 1.341 20 30 CDEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]CC#Cc1ccccc1 ZINC000893364090 617689853 /nfs/dbraw/zinc/68/98/53/617689853.db2.gz RSSKCCHZUGKYCN-KRWDZBQOSA-N 2 0 274.408 1.985 20 30 CDEDRP CC[N@H+](CCCNC1=[NH+]CCN1C)C1CCCCC1 ZINC000849047247 617778023 /nfs/dbraw/zinc/77/80/23/617778023.db2.gz RVFMSEVGBDNTPU-UHFFFAOYSA-N 2 0 266.433 1.922 20 30 CDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894738451 619039730 /nfs/dbraw/zinc/03/97/30/619039730.db2.gz PHDODBFPQPYHJW-ZKXZWOTCSA-N 2 0 250.386 1.935 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911674586 629404982 /nfs/dbraw/zinc/40/49/82/629404982.db2.gz VGAKANAQTVJYHD-KBPBESRZSA-N 2 0 269.433 1.933 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000911875803 629602665 /nfs/dbraw/zinc/60/26/65/629602665.db2.gz ULUDYFLIJYSKMH-CQSZACIVSA-N 2 0 283.416 1.026 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130427336 1162622966 /nfs/dbraw/zinc/62/29/66/1162622966.db2.gz LYIPMPKEJCVXCG-UHFFFAOYSA-N 2 0 255.406 1.389 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196590 1162829783 /nfs/dbraw/zinc/82/97/83/1162829783.db2.gz NNVWCZFASWHFEH-UHFFFAOYSA-N 2 0 285.351 1.163 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001167232716 1158546296 /nfs/dbraw/zinc/54/62/96/1158546296.db2.gz NOGBDKHRFBWOGY-OAHLLOKOSA-N 2 0 293.455 1.780 20 30 CDEDRP C=CC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132093854 1163167311 /nfs/dbraw/zinc/16/73/11/1163167311.db2.gz DNOXLVCIQBAZCD-UONOGXRCSA-N 2 0 279.428 1.626 20 30 CDEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086132936 1161961192 /nfs/dbraw/zinc/96/11/92/1161961192.db2.gz IDGLBTCKOROOHZ-XHSDSOJGSA-N 2 0 291.439 1.224 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001113350994 1162161562 /nfs/dbraw/zinc/16/15/62/1162161562.db2.gz HJVCDEUENTXBCZ-GJZGRUSLSA-N 2 0 281.444 1.826 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001133073851 1163551654 /nfs/dbraw/zinc/55/16/54/1163551654.db2.gz XBGXYLIYFUIVTM-JKSUJKDBSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133090101 1163567995 /nfs/dbraw/zinc/56/79/95/1163567995.db2.gz BOKWIARXCJYXAY-HUUCEWRRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001133311218 1163630230 /nfs/dbraw/zinc/63/02/30/1163630230.db2.gz WEWIFJNLSAJBHW-CVEARBPZSA-N 2 0 293.455 1.733 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133905471 1163958295 /nfs/dbraw/zinc/95/82/95/1163958295.db2.gz BCESLJXYWNENTE-UHFFFAOYSA-N 2 0 269.433 1.636 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001699386975 1176345840 /nfs/dbraw/zinc/34/58/40/1176345840.db2.gz QISXGYJMASCTBJ-LLVKDONJSA-N 2 0 261.797 1.175 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001700345435 1176861438 /nfs/dbraw/zinc/86/14/38/1176861438.db2.gz KCESXCHNZYNGHX-INIZCTEOSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001753460317 1184544375 /nfs/dbraw/zinc/54/43/75/1184544375.db2.gz VSRBEFCIOJUEKN-HOTGVXAUSA-N 2 0 291.439 1.274 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001753111417 1185066882 /nfs/dbraw/zinc/06/68/82/1185066882.db2.gz IFTNIYHEMFEJRG-CABCVRRESA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001753113872 1185069256 /nfs/dbraw/zinc/06/92/56/1185069256.db2.gz ALXPOIGYKHKZBZ-AWEZNQCLSA-N 2 0 265.401 1.239 20 30 CDEDRP C=C(C)C[NH2+]CCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001753265308 1185135883 /nfs/dbraw/zinc/13/58/83/1185135883.db2.gz ALZJSZCRSDMDQQ-UHFFFAOYSA-N 2 0 289.423 1.986 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001754601627 1185679756 /nfs/dbraw/zinc/67/97/56/1185679756.db2.gz RXZLMWBPGVIVHY-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C#CC[N@@H+](C)CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001755045749 1185798021 /nfs/dbraw/zinc/79/80/21/1185798021.db2.gz HCRRKNXTUWTJNE-UHFFFAOYSA-N 2 0 279.428 1.132 20 30 CDEDRP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C(C)(C)C1 ZINC001755139059 1185828734 /nfs/dbraw/zinc/82/87/34/1185828734.db2.gz SJTGKNPXMAWQIG-HNNXBMFYSA-N 2 0 291.439 1.321 20 30 CDEDRP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001755260334 1185881235 /nfs/dbraw/zinc/88/12/35/1185881235.db2.gz OUCOAFQEUMOORA-HUUCEWRRSA-N 2 0 281.444 1.777 20 30 CDEDRP C=CC[NH2+][C@@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001755342680 1185924253 /nfs/dbraw/zinc/92/42/53/1185924253.db2.gz IPRCHMPZJSYJTD-HNNXBMFYSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001755587851 1186004281 /nfs/dbraw/zinc/00/42/81/1186004281.db2.gz LXTJJACHFXEGLB-HUUCEWRRSA-N 2 0 279.428 1.319 20 30 CDEDRP C=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034526213 711854671 /nfs/dbraw/zinc/85/46/71/711854671.db2.gz VYXUTCPAPSRRMI-KGLIPLIRSA-N 2 0 265.401 1.095 20 30 CDEDRP CC(C)C[C@@](C)(C[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884035156 711856312 /nfs/dbraw/zinc/85/63/12/711856312.db2.gz SSQGSRDMCXLZDT-QSTLKDOJSA-N 2 0 292.427 1.005 20 30 CDEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999168806 711858249 /nfs/dbraw/zinc/85/82/49/711858249.db2.gz JXUUEHNOVJDRBJ-GPANFISMSA-N 2 0 289.423 1.073 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033659573 711866307 /nfs/dbraw/zinc/86/63/07/711866307.db2.gz DFYYUAAEEPMNCX-LSDHHAIUSA-N 2 0 279.428 1.437 20 30 CDEDRP C[C@@H](CCC#N)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879596909 711891208 /nfs/dbraw/zinc/89/12/08/711891208.db2.gz VBPFKEZCOAYERC-AWEZNQCLSA-N 2 0 264.417 1.390 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001032801267 711900983 /nfs/dbraw/zinc/90/09/83/711900983.db2.gz NNJGHNWUMMVPLA-HOTGVXAUSA-N 2 0 291.439 1.724 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000999402132 711914158 /nfs/dbraw/zinc/91/41/58/711914158.db2.gz DSHANQSDPVEJIH-XGNXJENSSA-N 2 0 299.846 1.660 20 30 CDEDRP C[C@@H]1CCCN(C(=[NH2+])NCC[NH+]2CCCCC2)C1 ZINC000104158210 711932077 /nfs/dbraw/zinc/93/20/77/711932077.db2.gz OJGHIHYBITVIBX-CYBMUJFWSA-N 2 0 252.406 1.519 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001050643469 711932624 /nfs/dbraw/zinc/93/26/24/711932624.db2.gz CVSQXEKMAOOADS-UHFFFAOYSA-N 2 0 291.439 1.439 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001036112676 711941805 /nfs/dbraw/zinc/94/18/05/711941805.db2.gz MESIQIXOLFDJEI-CJNGLKHVSA-N 2 0 296.374 1.408 20 30 CDEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029005129 711949460 /nfs/dbraw/zinc/94/94/60/711949460.db2.gz WUOWAZUVVGJMOV-HNNXBMFYSA-N 2 0 299.418 1.433 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015899996 712102677 /nfs/dbraw/zinc/10/26/77/712102677.db2.gz RDZKCQCNUGZHQJ-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[N@@H+](CCc1ccccc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923308561 712146463 /nfs/dbraw/zinc/14/64/63/712146463.db2.gz MBFKSGJCCWVZBJ-JYJNAYRXSA-N 2 0 260.381 1.568 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999373486 712181198 /nfs/dbraw/zinc/18/11/98/712181198.db2.gz QHIZNWXTUWEWCI-KBPBESRZSA-N 2 0 265.401 1.093 20 30 CDEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC000987569772 712196016 /nfs/dbraw/zinc/19/60/16/712196016.db2.gz INEVKMIXGCZQGZ-CABCVRRESA-N 2 0 277.412 1.075 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001016330742 712208321 /nfs/dbraw/zinc/20/83/21/712208321.db2.gz UZFWMCYVXLUCSE-MRXNPFEDSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC=C ZINC001027940671 712342087 /nfs/dbraw/zinc/34/20/87/712342087.db2.gz QICPPLKQHLQENO-CVEARBPZSA-N 2 0 289.423 1.241 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001020146188 712384571 /nfs/dbraw/zinc/38/45/71/712384571.db2.gz XCNGGOBDSDHIOP-MGPQQGTHSA-N 2 0 265.401 1.282 20 30 CDEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001027562132 712388436 /nfs/dbraw/zinc/38/84/36/712388436.db2.gz JAVWBZHJDVSXHO-LSDHHAIUSA-N 2 0 281.444 1.681 20 30 CDEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001005185076 712405021 /nfs/dbraw/zinc/40/50/21/712405021.db2.gz PJSXZKFOOZGKKH-HNNXBMFYSA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000985793855 712421994 /nfs/dbraw/zinc/42/19/94/712421994.db2.gz YIIVENRCLPJWDU-AWEZNQCLSA-N 2 0 279.428 1.437 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001019297925 712478573 /nfs/dbraw/zinc/47/85/73/712478573.db2.gz QUFAHCUPRXYSBA-AWEZNQCLSA-N 2 0 291.395 1.721 20 30 CDEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001045544369 712483613 /nfs/dbraw/zinc/48/36/13/712483613.db2.gz FBUDPBLSEFEEDS-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001036896180 712488674 /nfs/dbraw/zinc/48/86/74/712488674.db2.gz KYIVVWCZWYDJMX-HOTGVXAUSA-N 2 0 289.423 1.028 20 30 CDEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001027879066 712503565 /nfs/dbraw/zinc/50/35/65/712503565.db2.gz MGRWNOCNLDTFSH-GJZGRUSLSA-N 2 0 279.428 1.626 20 30 CDEDRP C=CCC[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000989728122 712509608 /nfs/dbraw/zinc/50/96/08/712509608.db2.gz BNUFIAKDBVLFIN-HZPDHXFCSA-N 2 0 293.455 1.970 20 30 CDEDRP C[NH+]=C(NCCCCC[NH+]1CCCC1)NC1CC1 ZINC000849033761 712679173 /nfs/dbraw/zinc/67/91/73/712679173.db2.gz YQUCONSALJCRKD-UHFFFAOYSA-N 2 0 252.406 1.580 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001027463974 712684696 /nfs/dbraw/zinc/68/46/96/712684696.db2.gz BAEMNZPXYLNQLI-LSDHHAIUSA-N 2 0 277.412 1.027 20 30 CDEDRP CCCCCCNC(=[NH2+])NCCCN1CCC[N@H+](C)CC1 ZINC000303976440 712697355 /nfs/dbraw/zinc/69/73/55/712697355.db2.gz KFOHBKORBZMDBQ-UHFFFAOYSA-N 2 0 297.491 1.499 20 30 CDEDRP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001026503332 712697927 /nfs/dbraw/zinc/69/79/27/712697927.db2.gz SMRNGQCRZOHRCJ-UYSNPLJNSA-N 2 0 291.439 1.511 20 30 CDEDRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N[C@H](C)COC ZINC000303891320 712787795 /nfs/dbraw/zinc/78/77/95/712787795.db2.gz QPPLJOJBJJAKII-ZIAGYGMSSA-N 2 0 284.448 1.580 20 30 CDEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091544174 1164268071 /nfs/dbraw/zinc/26/80/71/1164268071.db2.gz WAMLRVBMBNJBAL-VYDXJSESSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001566939512 1168475752 /nfs/dbraw/zinc/47/57/52/1168475752.db2.gz DIBRWKQAFXTVMR-LSDHHAIUSA-N 2 0 299.434 1.823 20 30 CDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001088981117 912436804 /nfs/dbraw/zinc/43/68/04/912436804.db2.gz CTGTVVYALNJWHJ-KFWWJZLASA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001106255796 913733663 /nfs/dbraw/zinc/73/36/63/913733663.db2.gz JNROYHCARHEORX-HUUCEWRRSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089336865 914029987 /nfs/dbraw/zinc/02/99/87/914029987.db2.gz ZACLUDIFJNIOCV-GJZGRUSLSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[NH2+]CC1(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001167487073 896150822 /nfs/dbraw/zinc/15/08/22/896150822.db2.gz YZGIJKDCKNLXBO-UHFFFAOYSA-N 2 0 267.417 1.390 20 30 CDEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176564081 914179529 /nfs/dbraw/zinc/17/95/29/914179529.db2.gz LAVYJICSFPZHCI-GJZGRUSLSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CC[NH2+]CCN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235422321 914217761 /nfs/dbraw/zinc/21/77/61/914217761.db2.gz BFABJNXJKWCZEM-LSDHHAIUSA-N 2 0 251.418 1.474 20 30 CDEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001206281112 914249223 /nfs/dbraw/zinc/24/92/23/914249223.db2.gz BGUGUZCATFCKBN-GDBMZVCRSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001104676356 898873512 /nfs/dbraw/zinc/87/35/12/898873512.db2.gz GQMCKJOAVTXEPE-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001020340428 899256797 /nfs/dbraw/zinc/25/67/97/899256797.db2.gz PEIAKRHLKCWKIO-RBSFLKMASA-N 2 0 279.428 1.530 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCCC=C)CC1 ZINC001176926090 914360687 /nfs/dbraw/zinc/36/06/87/914360687.db2.gz GKXZAVGZAJXZFP-UHFFFAOYSA-N 2 0 291.439 1.394 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001267958408 900072483 /nfs/dbraw/zinc/07/24/83/900072483.db2.gz LFMFASLCPXYAJR-CHWSQXEVSA-N 2 0 253.390 1.093 20 30 CDEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027602922 900660187 /nfs/dbraw/zinc/66/01/87/900660187.db2.gz BCQMZNRVUNNELN-INIZCTEOSA-N 2 0 291.439 1.274 20 30 CDEDRP COc1nc(C)c(NC(=[NH2+])NCCCC[NH3+])c(C)c1C#N ZINC001167879733 901617085 /nfs/dbraw/zinc/61/70/85/901617085.db2.gz ZHGUWSVLIIPYJR-UHFFFAOYSA-N 2 0 290.371 1.254 20 30 CDEDRP C=CCOc1ccc(NC(=[NH2+])NCCCC[NH3+])nc1C#N ZINC001167880324 901622153 /nfs/dbraw/zinc/62/21/53/901622153.db2.gz HWNPXBRYNPMPLQ-UHFFFAOYSA-N 2 0 288.355 1.193 20 30 CDEDRP N#CCc1ccc(NC(=[NH2+])NCCCC[NH3+])cc1[N+](=O)[O-] ZINC001167881527 901635957 /nfs/dbraw/zinc/63/59/57/901635957.db2.gz IENWZXHIDBGTDZ-UHFFFAOYSA-N 2 0 290.327 1.336 20 30 CDEDRP C#CC[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001482066857 902599370 /nfs/dbraw/zinc/59/93/70/902599370.db2.gz SVVCPWDGGJKZAY-MRXNPFEDSA-N 2 0 291.439 1.466 20 30 CDEDRP C=CC[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028658901 903343083 /nfs/dbraw/zinc/34/30/83/903343083.db2.gz JEORDMPWTKPSLQ-CQSZACIVSA-N 2 0 277.412 1.239 20 30 CDEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001483764363 914708079 /nfs/dbraw/zinc/70/80/79/914708079.db2.gz IUGGIOLJRNKKED-UHFFFAOYSA-N 2 0 285.819 1.319 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1CC ZINC001087726998 905792315 /nfs/dbraw/zinc/79/23/15/905792315.db2.gz ZVKZKDXPZOFIJO-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001088201269 906439836 /nfs/dbraw/zinc/43/98/36/906439836.db2.gz SUPHLHZDAUUBHF-CVEARBPZSA-N 2 0 291.439 1.439 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(CC#N)CC1 ZINC000849025683 906678353 /nfs/dbraw/zinc/67/83/53/906678353.db2.gz BEKRARLTTOYPNG-LBPRGKRZSA-N 2 0 263.389 1.279 20 30 CDEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000985756580 907094889 /nfs/dbraw/zinc/09/48/89/907094889.db2.gz SAASTXQLOIZBAY-UHFFFAOYSA-N 2 0 291.439 1.581 20 30 CDEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001168147324 907471431 /nfs/dbraw/zinc/47/14/31/907471431.db2.gz QIXFYYSAMFPSMG-UHFFFAOYSA-N 2 0 279.428 1.534 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001036896497 910651450 /nfs/dbraw/zinc/65/14/50/910651450.db2.gz PJBSKBSQVPAISP-HZPDHXFCSA-N 2 0 291.439 1.581 20 30 CDEDRP COCCC1([NH3+])CC[NH+]([C@H](C)CCCC#N)CC1 ZINC001172492928 911730019 /nfs/dbraw/zinc/73/00/19/911730019.db2.gz QCUVTOGJIMCDDX-CYBMUJFWSA-N 2 0 253.390 1.899 20 30 CDEDRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=[NH2+])N(C)C)C1 ZINC000170910349 912094859 /nfs/dbraw/zinc/09/48/59/912094859.db2.gz CPPVOKILHOHHIZ-VXGBXAGGSA-N 2 0 254.422 1.619 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031728973 915163221 /nfs/dbraw/zinc/16/32/21/915163221.db2.gz FEVGTYIUKUIRHV-MRXNPFEDSA-N 2 0 291.439 1.036 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001483935788 915211348 /nfs/dbraw/zinc/21/13/48/915211348.db2.gz ZAXGUROGJIBDEQ-ZDUSSCGKSA-N 2 0 299.846 1.804 20 30 CDEDRP C#CCC[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001031799783 915927243 /nfs/dbraw/zinc/92/72/43/915927243.db2.gz FNBIJPIPGQRQNC-UHFFFAOYSA-N 2 0 296.374 1.328 20 30 CDEDRP C#CC[NH2+]CCCCCCNC(=O)C[NH+](CC)CC ZINC001179846746 916012228 /nfs/dbraw/zinc/01/22/28/916012228.db2.gz RZHMLBULRDAJLH-UHFFFAOYSA-N 2 0 267.417 1.228 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179933532 916075914 /nfs/dbraw/zinc/07/59/14/916075914.db2.gz GDIPKMOYZPIBHS-GJZGRUSLSA-N 2 0 297.443 1.110 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000303891675 935047702 /nfs/dbraw/zinc/04/77/02/935047702.db2.gz NFLDJOKJQQDOGB-KBPBESRZSA-N 2 0 284.448 1.438 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981649 917619951 /nfs/dbraw/zinc/61/99/51/917619951.db2.gz YIPYSTAGZMNFBQ-RBSFLKMASA-N 2 0 279.428 1.198 20 30 CDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001182614813 918022005 /nfs/dbraw/zinc/02/20/05/918022005.db2.gz SAIWEKVMWBPMGG-BFYDXBDKSA-N 2 0 293.455 1.588 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC000995920949 918184675 /nfs/dbraw/zinc/18/46/75/918184675.db2.gz WOVKYGNWKXXFMI-OAHLLOKOSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001183082012 918280259 /nfs/dbraw/zinc/28/02/59/918280259.db2.gz CRPVXIXJBXCMEY-GDBMZVCRSA-N 2 0 279.428 1.036 20 30 CDEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)CCC)CCC[C@@H]12 ZINC001107615145 918495563 /nfs/dbraw/zinc/49/55/63/918495563.db2.gz SBVYDOAVNRDFQH-NVXWUHKLSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001000333348 936528022 /nfs/dbraw/zinc/52/80/22/936528022.db2.gz NUILRDHUPLLDSS-AWEZNQCLSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050181212 936556544 /nfs/dbraw/zinc/55/65/44/936556544.db2.gz GDPQHDKENSBXBX-HRCADAONSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001032433040 919130813 /nfs/dbraw/zinc/13/08/13/919130813.db2.gz HWXJTSRNOCPMFU-HRCADAONSA-N 2 0 291.439 1.722 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998722635 919614106 /nfs/dbraw/zinc/61/41/06/919614106.db2.gz PDTTYQZCKVPEGW-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001185501832 919634517 /nfs/dbraw/zinc/63/45/17/919634517.db2.gz IZVHCKKEQRRYLY-GJZGRUSLSA-N 2 0 291.439 1.342 20 30 CDEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001185716095 919727283 /nfs/dbraw/zinc/72/72/83/919727283.db2.gz PHBJMGQTWCDYLW-KGLIPLIRSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000999347328 919741360 /nfs/dbraw/zinc/74/13/60/919741360.db2.gz JFZRIVPEPFKKKR-CVEARBPZSA-N 2 0 293.455 1.731 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001186739421 920153695 /nfs/dbraw/zinc/15/36/95/920153695.db2.gz QRKAJKUCVHHGNM-MRXNPFEDSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001072541586 936705089 /nfs/dbraw/zinc/70/50/89/936705089.db2.gz ABZGCRDKWGEBEJ-CQSZACIVSA-N 2 0 277.412 1.191 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001033424545 922206761 /nfs/dbraw/zinc/20/67/61/922206761.db2.gz STTUFVZICUKACF-HOTGVXAUSA-N 2 0 293.455 1.970 20 30 CDEDRP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033473780 922233335 /nfs/dbraw/zinc/23/33/35/922233335.db2.gz IJFNQFPYJVNMNR-HOTGVXAUSA-N 2 0 293.455 1.968 20 30 CDEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001098223365 936747194 /nfs/dbraw/zinc/74/71/94/936747194.db2.gz IIPBTBLALHSWSC-KFWWJZLASA-N 2 0 289.423 1.380 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001033777796 922364200 /nfs/dbraw/zinc/36/42/00/922364200.db2.gz XBLXNSJGQHQTJH-GJZGRUSLSA-N 2 0 277.412 1.027 20 30 CDEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684133 922718338 /nfs/dbraw/zinc/71/83/38/922718338.db2.gz OIGGDFFKQOSJDJ-HNNXBMFYSA-N 2 0 291.439 1.417 20 30 CDEDRP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001099296879 936784720 /nfs/dbraw/zinc/78/47/20/936784720.db2.gz FBZRYURNWDFGDG-OAHLLOKOSA-N 2 0 293.455 1.568 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001036091502 923098077 /nfs/dbraw/zinc/09/80/77/923098077.db2.gz FHWHERDCDHKSIO-XJKSGUPXSA-N 2 0 298.390 1.961 20 30 CDEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001491073245 936852079 /nfs/dbraw/zinc/85/20/79/936852079.db2.gz HWXSMMDYUPGMPQ-MJBXVCDLSA-N 2 0 267.417 1.386 20 30 CDEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194229093 924108254 /nfs/dbraw/zinc/10/82/54/924108254.db2.gz VATDLISWCMSIQK-INIZCTEOSA-N 2 0 291.439 1.418 20 30 CDEDRP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001079681343 924402538 /nfs/dbraw/zinc/40/25/38/924402538.db2.gz HYNHXRMYHIYJGQ-OAGGEKHMSA-N 2 0 293.455 1.872 20 30 CDEDRP C=C(C)C[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001100898686 936944034 /nfs/dbraw/zinc/94/40/34/936944034.db2.gz WRDOUIXIYIRYMS-UHFFFAOYSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CCC[NH2+]C1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100873272 936942554 /nfs/dbraw/zinc/94/25/54/936942554.db2.gz ZWZWRVLPXBJXSO-NFOMZHRRSA-N 2 0 279.428 1.389 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001082556780 924957637 /nfs/dbraw/zinc/95/76/37/924957637.db2.gz CPLCCKBHJUAPBI-BZUAXINKSA-N 2 0 291.439 1.034 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001084448077 925257417 /nfs/dbraw/zinc/25/74/17/925257417.db2.gz JUSHWWLLUQNWLB-RBSFLKMASA-N 2 0 279.428 1.435 20 30 CDEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001085217620 925810301 /nfs/dbraw/zinc/81/03/01/925810301.db2.gz JSKUICNBDCNTIX-BZUAXINKSA-N 2 0 291.439 1.511 20 30 CDEDRP CC#CC[NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001201038246 926190340 /nfs/dbraw/zinc/19/03/40/926190340.db2.gz WTOSLXHQNPFVRZ-UHFFFAOYSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927653 926513604 /nfs/dbraw/zinc/51/36/04/926513604.db2.gz CYSNTEBIPFBYPK-AWEZNQCLSA-N 2 0 277.412 1.191 20 30 CDEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=[NH2+])c1ccc(C(N)=O)cc1)C2 ZINC001169108945 927753935 /nfs/dbraw/zinc/75/39/35/927753935.db2.gz WUQQGBVJZRTLKL-BTTYYORXSA-N 2 0 286.379 1.116 20 30 CDEDRP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150192298 937223040 /nfs/dbraw/zinc/22/30/40/937223040.db2.gz CTLZQXFWNNWWHA-HNNXBMFYSA-N 2 0 297.443 1.111 20 30 CDEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001110738688 928771679 /nfs/dbraw/zinc/77/16/79/928771679.db2.gz OKAHDNKPLHMNLU-KFWWJZLASA-N 2 0 291.439 1.462 20 30 CDEDRP CC#CC[NH2+]CCNC(=O)CCn1ccnc1C(C)C ZINC001134726106 929864358 /nfs/dbraw/zinc/86/43/58/929864358.db2.gz QXAXDDDCICNDGI-UHFFFAOYSA-N 2 0 276.384 1.126 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858806 929935906 /nfs/dbraw/zinc/93/59/06/929935906.db2.gz YVESXRINTYIKON-CABCVRRESA-N 2 0 291.439 1.511 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135375832 930176633 /nfs/dbraw/zinc/17/66/33/930176633.db2.gz OKIRUFIMZUBYAU-KBPBESRZSA-N 2 0 279.428 1.224 20 30 CDEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135481350 930218397 /nfs/dbraw/zinc/21/83/97/930218397.db2.gz UAUBLWLXNNBKES-CABCVRRESA-N 2 0 295.471 1.861 20 30 CDEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767879 930399550 /nfs/dbraw/zinc/39/95/50/930399550.db2.gz JLNATRNOROYRHJ-HUUCEWRRSA-N 2 0 281.444 1.777 20 30 CDEDRP CC(C)CNC(=[NH2+])NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000134126932 930508219 /nfs/dbraw/zinc/50/82/19/930508219.db2.gz OSGZOEFHGBUWMA-ZDUSSCGKSA-N 2 0 254.422 1.525 20 30 CDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc3c(c1)C[NH2+]C3)C2 ZINC000884299547 930515483 /nfs/dbraw/zinc/51/54/83/930515483.db2.gz XCINUOYINPVIBS-UUCFBXCCSA-N 2 0 296.374 1.368 20 30 CDEDRP C[Si](C)(C)C#Cc1ccc(N[C@@H]([NH3+])CCC[NH3+])nc1 ZINC001170895654 930689342 /nfs/dbraw/zinc/68/93/42/930689342.db2.gz WNNZICPFVJJWKL-CYBMUJFWSA-N 2 0 276.460 1.746 20 30 CDEDRP C=CC[NH2+]CCNC(=O)CN(C)Cc1ccccc1 ZINC001153315056 937438618 /nfs/dbraw/zinc/43/86/18/937438618.db2.gz VYINUDMHJMNMMD-UHFFFAOYSA-N 2 0 261.369 1.010 20 30 CDEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006410972 930920870 /nfs/dbraw/zinc/92/08/70/930920870.db2.gz MWSTYBLVBQOFHD-CYBMUJFWSA-N 2 0 265.401 1.047 20 30 CDEDRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH+]=C(N(C)C)N(C)C)C1 ZINC000104168624 931322572 /nfs/dbraw/zinc/32/25/72/931322572.db2.gz PTJMLDGSWRBNHJ-ZIAGYGMSSA-N 2 0 268.449 1.834 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000104178983 931323335 /nfs/dbraw/zinc/32/33/35/931323335.db2.gz ZYLIINNRCNWJPC-OLZOCXBDSA-N 2 0 284.448 1.436 20 30 CDEDRP C[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000104192980 931325141 /nfs/dbraw/zinc/32/51/41/931325141.db2.gz FUKFNDXPWIAESM-NEPJUHHUSA-N 2 0 252.406 1.516 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000843842408 931511032 /nfs/dbraw/zinc/51/10/32/931511032.db2.gz RAFDKQYDHGAQBB-ZDUSSCGKSA-N 2 0 267.417 1.293 20 30 CDEDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C#N)cn1 ZINC001144158889 931674704 /nfs/dbraw/zinc/67/47/04/931674704.db2.gz TUPQWLFVBIXMAK-DLBZAZTESA-N 2 0 299.422 1.163 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171160258 931754446 /nfs/dbraw/zinc/75/44/46/931754446.db2.gz DOABQWQYMIZJKK-LSDHHAIUSA-N 2 0 281.444 1.779 20 30 CDEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@]1(CN)CN2CCC1CC2 ZINC001171191946 931847043 /nfs/dbraw/zinc/84/70/43/931847043.db2.gz IULWHZBJCOOEJL-RDTXWAMCSA-N 2 0 298.434 1.502 20 30 CDEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171238610 932089563 /nfs/dbraw/zinc/08/95/63/932089563.db2.gz WPYGYBUTGYTZPO-AWEZNQCLSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146396916 932243627 /nfs/dbraw/zinc/24/36/27/932243627.db2.gz BTLRIMONXLEUDA-GJZGRUSLSA-N 2 0 297.443 1.158 20 30 CDEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146537214 932262951 /nfs/dbraw/zinc/26/29/51/932262951.db2.gz XHMOYXADKPECNI-JKSUJKDBSA-N 2 0 293.455 1.759 20 30 CDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001095437876 932477790 /nfs/dbraw/zinc/47/77/90/932477790.db2.gz LWPOIFGJJGKJLU-SUJAAXHWSA-N 2 0 289.423 1.071 20 30 CDEDRP C=CC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001148646615 932758481 /nfs/dbraw/zinc/75/84/81/932758481.db2.gz FKJKAFRXEUQYRS-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001091782942 932884768 /nfs/dbraw/zinc/88/47/68/932884768.db2.gz MPTBSCCRNCDRGU-INMHGKMJSA-N 2 0 291.439 1.130 20 30 CDEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959660 933202155 /nfs/dbraw/zinc/20/21/55/933202155.db2.gz VRTJQSYFMKPVMU-KFWWJZLASA-N 2 0 279.428 1.626 20 30 CDEDRP C[C@@H]1C[N@@H+](CCCC[NH2+]C[C@H](C#N)CCC#N)C[C@H](C)O1 ZINC001120480899 937802547 /nfs/dbraw/zinc/80/25/47/937802547.db2.gz GYXPYDMQVVQPBJ-XHSDSOJGSA-N 2 0 292.427 1.909 20 30 CDEDRP Cc1cccc(C)c1OC[C@H](O)C[NH2+]CC#CC[NH+](C)C ZINC001120491779 937803313 /nfs/dbraw/zinc/80/33/13/937803313.db2.gz CVJPUASXHOPYDG-MRXNPFEDSA-N 2 0 290.407 1.198 20 30 CDEDRP C[C@@H]1CCCN(C(=[NH2+])NCC2CC[NH+](C)CC2)C1 ZINC000303863856 935045574 /nfs/dbraw/zinc/04/55/74/935045574.db2.gz APHGVFLLLKYCOF-GFCCVEGCSA-N 2 0 252.406 1.375 20 30 CDEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000303867195 935045736 /nfs/dbraw/zinc/04/57/36/935045736.db2.gz CTSSBYHKQVCLDQ-CHWSQXEVSA-N 2 0 270.421 1.046 20 30 CDEDRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(NC)=[NH+]C)C1 ZINC000304032086 935050957 /nfs/dbraw/zinc/05/09/57/935050957.db2.gz GOBCZJCFPABCPA-LBPRGKRZSA-N 2 0 254.422 1.682 20 30 CDEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NCCC(C)C ZINC000304737590 935085795 /nfs/dbraw/zinc/08/57/95/935085795.db2.gz ANQVNTHVHLSUSK-CYBMUJFWSA-N 2 0 254.422 1.811 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007352388 935379037 /nfs/dbraw/zinc/37/90/37/935379037.db2.gz YOIKCCCBVIYGHP-JKSUJKDBSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014715421 935548234 /nfs/dbraw/zinc/54/82/34/935548234.db2.gz CEYCXQPYQMCRKS-LSDHHAIUSA-N 2 0 279.428 1.341 20 30 CDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015930172 935593331 /nfs/dbraw/zinc/59/33/31/935593331.db2.gz JDRQQSVMXUWDFG-INIZCTEOSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049533055 936153201 /nfs/dbraw/zinc/15/32/01/936153201.db2.gz LZVSJPMWFQOULQ-XHSDSOJGSA-N 2 0 293.455 1.824 20 30 CDEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001121696425 937880199 /nfs/dbraw/zinc/88/01/99/937880199.db2.gz RPSCGVSAYPSTRG-UHFFFAOYSA-N 2 0 279.428 1.531 20 30 CDEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001122242546 937915059 /nfs/dbraw/zinc/91/50/59/937915059.db2.gz IAFUONQJHZUPJQ-UHFFFAOYSA-N 2 0 293.455 1.920 20 30 CDEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001157118548 938457006 /nfs/dbraw/zinc/45/70/06/938457006.db2.gz HZJDXRBMWMUJJD-HZPDHXFCSA-N 2 0 293.455 1.567 20 30 CDEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159915772 938759938 /nfs/dbraw/zinc/75/99/38/938759938.db2.gz NQSBCOOEVINGPV-HIFRSBDPSA-N 2 0 281.444 1.777 20 30 CDEDRP C#CC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001160379311 938783013 /nfs/dbraw/zinc/78/30/13/938783013.db2.gz GLKFOIJGLUIHEV-UHFFFAOYSA-N 2 0 289.423 1.242 20 30 CDEDRP C=CC[N@@H+]1CCC[C@H]1CNc1cc2c(nn1)CC[NH2+]C2 ZINC001160954476 938850204 /nfs/dbraw/zinc/85/02/04/938850204.db2.gz VFTVAXVTJDHTHZ-ZDUSSCGKSA-N 2 0 273.384 1.185 20 30 CDEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001161870076 938937997 /nfs/dbraw/zinc/93/79/97/938937997.db2.gz URWMSJMQQRJPFS-INIZCTEOSA-N 2 0 289.423 1.100 20 30 CDEDRP CC#CC[N@H+]1CC=C(CCNC(=O)C[NH+](C)C(C)C)CC1 ZINC001161953257 938948040 /nfs/dbraw/zinc/94/80/40/938948040.db2.gz QWAWCGZCBSTWOS-UHFFFAOYSA-N 2 0 291.439 1.488 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001162317018 939022534 /nfs/dbraw/zinc/02/25/34/939022534.db2.gz SKAFAAOTXOGBJO-UHFFFAOYSA-N 2 0 285.351 1.163 20 30 CDEDRP C=CCC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163232016 939230045 /nfs/dbraw/zinc/23/00/45/939230045.db2.gz LZPCCKAUEWLRNY-HNNXBMFYSA-N 2 0 279.428 1.533 20 30 CDEDRP CC#CC[NH2+]CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166687266 939626969 /nfs/dbraw/zinc/62/69/69/939626969.db2.gz LHOWZXYSKWZGOH-INIZCTEOSA-N 2 0 297.418 1.318 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203325231 939683120 /nfs/dbraw/zinc/68/31/20/939683120.db2.gz KQDYQNYXPYSWQF-LSDHHAIUSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203316588 939683161 /nfs/dbraw/zinc/68/31/61/939683161.db2.gz HMPXKJOHTLSXHB-UONOGXRCSA-N 2 0 279.428 1.531 20 30 CDEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001206301665 940013118 /nfs/dbraw/zinc/01/31/18/940013118.db2.gz OMLYQPYYGHWDKN-HNNXBMFYSA-N 2 0 281.444 1.731 20 30 CDEDRP Cn1cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)cc1C#N ZINC001207108389 940151049 /nfs/dbraw/zinc/15/10/49/940151049.db2.gz AROLULJAEWATIF-UHFFFAOYSA-N 2 0 258.369 1.424 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208919744 940407101 /nfs/dbraw/zinc/40/71/01/940407101.db2.gz VINSQDWTJDWAII-OAHLLOKOSA-N 2 0 291.439 1.465 20 30 CDEDRP C#Cc1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)ccn1 ZINC001210262001 940675644 /nfs/dbraw/zinc/67/56/44/940675644.db2.gz MSKXUWUEJDWXQI-UHFFFAOYSA-N 2 0 279.347 1.033 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210744822 940710098 /nfs/dbraw/zinc/71/00/98/940710098.db2.gz WEQKDPHOKFLDSJ-HNNXBMFYSA-N 2 0 281.444 1.875 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215421574 940885041 /nfs/dbraw/zinc/88/50/41/940885041.db2.gz GYFVZMHASKDHHT-ZIAGYGMSSA-N 2 0 267.417 1.341 20 30 CDEDRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000402139622 940889273 /nfs/dbraw/zinc/88/92/73/940889273.db2.gz IILGKTZEPKWGHM-TUKIKUTGSA-N 2 0 259.353 1.261 20 30 CDEDRP N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000402356193 940895181 /nfs/dbraw/zinc/89/51/81/940895181.db2.gz UFEQHDBVYHBPFR-JKSUJKDBSA-N 2 0 273.380 1.795 20 30 CDEDRP C[C@@H](C#N)c1ccc(NC(=O)[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001218871980 941282000 /nfs/dbraw/zinc/28/20/00/941282000.db2.gz ZAXFKRVYXULQLB-GWCFXTLKSA-N 2 0 260.341 1.318 20 30 CDEDRP C[C@H](C#N)c1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cc1 ZINC001218871290 941282337 /nfs/dbraw/zinc/28/23/37/941282337.db2.gz KJULHNVFSPTGHK-SUYBPPKGSA-N 2 0 298.390 1.451 20 30 CDEDRP N#C[C@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ccccc1 ZINC001219557451 941355450 /nfs/dbraw/zinc/35/54/50/941355450.db2.gz AKBVGAJJWMYYQL-CABCVRRESA-N 2 0 298.390 1.242 20 30 CDEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@](C)(C#N)CC(C)C ZINC001221293050 941514240 /nfs/dbraw/zinc/51/42/40/941514240.db2.gz YNNLHIVQODQAOR-GXTWGEPZSA-N 2 0 268.405 1.148 20 30 CDEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001221919567 941554513 /nfs/dbraw/zinc/55/45/13/941554513.db2.gz VYHSQTAJCPPOIG-ZIAGYGMSSA-N 2 0 265.401 1.047 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223431286 941677225 /nfs/dbraw/zinc/67/72/25/941677225.db2.gz WRHFIWZPNLVLGF-KGLIPLIRSA-N 2 0 265.401 1.047 20 30 CDEDRP C#CC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]21 ZINC001223962128 941710008 /nfs/dbraw/zinc/71/00/08/941710008.db2.gz GXYDPALYRAVYEQ-CVEARBPZSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CC[NH+]1CCC(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001224003770 941713944 /nfs/dbraw/zinc/71/39/44/941713944.db2.gz ZBBKIOTZBYNIPB-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001226941947 942097342 /nfs/dbraw/zinc/09/73/42/942097342.db2.gz KNTLUKDLUOJBPJ-OAGGEKHMSA-N 2 0 293.455 1.613 20 30 CDEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001228602780 942340767 /nfs/dbraw/zinc/34/07/67/942340767.db2.gz LACQMLPSGBJKIU-ARFHVFGLSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CCC ZINC001229852728 942541174 /nfs/dbraw/zinc/54/11/74/942541174.db2.gz KJKLBCPQETXDBR-HUUCEWRRSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CCCC[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001230267858 942597064 /nfs/dbraw/zinc/59/70/64/942597064.db2.gz OEVLBRPBCJPJBB-UHFFFAOYSA-N 2 0 279.428 1.629 20 30 CDEDRP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001231225928 942824832 /nfs/dbraw/zinc/82/48/32/942824832.db2.gz KKUUFNSBAXKTNX-HUUCEWRRSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CC[NH2+]C1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001265743148 944486178 /nfs/dbraw/zinc/48/61/78/944486178.db2.gz DBSIJVFJLDAMOZ-JXQTWKCFSA-N 2 0 267.417 1.530 20 30 CDEDRP N#C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](C3COC3)CC2)C1 ZINC001254658917 947575902 /nfs/dbraw/zinc/57/59/02/947575902.db2.gz XQYUEFSYQLIGOF-KBPBESRZSA-N 2 0 263.385 1.379 20 30 CDEDRP C=CCOC1CCC([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246638312 948375474 /nfs/dbraw/zinc/37/54/74/948375474.db2.gz RWMJTVUHAQLDHO-GPANFISMSA-N 2 0 279.428 1.138 20 30 CDEDRP N#CC1(C[NH2+]C2CCC([NH+]3CCOCC3)CC2)CCC1 ZINC001256676406 948388003 /nfs/dbraw/zinc/38/80/03/948388003.db2.gz CFFRZXOKJCUWHE-UHFFFAOYSA-N 2 0 277.412 1.913 20 30 CDEDRP N#C[C@@H]1CC[N@@H+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256697572 948402972 /nfs/dbraw/zinc/40/29/72/948402972.db2.gz FZPBUPFQGIZITC-NFOMZHRRSA-N 2 0 263.385 1.475 20 30 CDEDRP COC(=O)CC[C@H](C)[NH+]=C(C)NCc1cccc(C[NH3+])c1 ZINC001258364638 948791501 /nfs/dbraw/zinc/79/15/01/948791501.db2.gz RCSXIBLDTUJRAF-LBPRGKRZSA-N 2 0 291.395 1.995 20 30 CDEDRP N#Cc1cc(F)cc(-c2noc([C@H]3C[NH2+]CC34C[NH2+]C4)n2)c1 ZINC001247828217 948802741 /nfs/dbraw/zinc/80/27/41/948802741.db2.gz BRBWUMJFRFUWAV-GFCCVEGCSA-N 2 0 299.309 1.024 20 30 CDEDRP C=C[C@@](C)(O)C[NH2+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC001252579546 951471415 /nfs/dbraw/zinc/47/14/15/951471415.db2.gz WGYVEAXSEWEHSM-QGZVFWFLSA-N 2 0 296.455 1.652 20 30 CDEDRP C=C[C@@](C)(O)C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC001252580035 951474925 /nfs/dbraw/zinc/47/49/25/951474925.db2.gz PNBBNJRUINMXRG-QGZVFWFLSA-N 2 0 289.423 1.820 20 30 CDEDRP C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)CN1CC[NH+](C)CC1 ZINC001365358369 955956322 /nfs/dbraw/zinc/95/63/22/955956322.db2.gz DYWDRRMQQOQOTN-GTPINHCMSA-N 2 0 292.471 1.932 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001366485531 956867917 /nfs/dbraw/zinc/86/79/17/956867917.db2.gz IQCVQIGNXNVZOS-GFCCVEGCSA-N 2 0 287.835 1.565 20 30 CDEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317137703 957296953 /nfs/dbraw/zinc/29/69/53/957296953.db2.gz IBBWCOYQPIHHKJ-HUUCEWRRSA-N 2 0 279.428 1.178 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001368748507 959101042 /nfs/dbraw/zinc/10/10/42/959101042.db2.gz GKCLMWJDUXACSK-STQMWFEESA-N 2 0 289.851 1.810 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001369399024 959663901 /nfs/dbraw/zinc/66/39/01/959663901.db2.gz JGVPZJMEOSKSBF-QWHCGFSZSA-N 2 0 287.835 1.660 20 30 CDEDRP C=C(CC)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC001346387260 965075902 /nfs/dbraw/zinc/07/59/02/965075902.db2.gz QUVXCGFVOCKTNW-HNNXBMFYSA-N 2 0 281.444 1.827 20 30 CDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC001353495985 968019899 /nfs/dbraw/zinc/01/98/99/968019899.db2.gz QOLBWSOXQLSUFD-ZIAGYGMSSA-N 2 0 267.417 1.470 20 30 CDEDRP C#CC[NH2+]CC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC001521434325 970296886 /nfs/dbraw/zinc/29/68/86/970296886.db2.gz YTMJSXOJPFWHJW-UHFFFAOYSA-N 2 0 285.391 1.121 20 30 CDEDRP CC#CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001132437337 1163291339 /nfs/dbraw/zinc/29/13/39/1163291339.db2.gz RXTALHXYSBCGGA-HZPDHXFCSA-N 2 0 293.455 1.711 20 30 CDEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132519460 1163337331 /nfs/dbraw/zinc/33/73/31/1163337331.db2.gz ZFTYGGWFFZTFQL-CABCVRRESA-N 2 0 281.444 1.872 20 30 CDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001133072134 1163552510 /nfs/dbraw/zinc/55/25/10/1163552510.db2.gz GDAUKPQKCJBPMB-JKSUJKDBSA-N 2 0 295.471 1.979 20 30 CDEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001133178662 1163596689 /nfs/dbraw/zinc/59/66/89/1163596689.db2.gz VWXHWIYSOFVRHH-CVEARBPZSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001133275893 1163624221 /nfs/dbraw/zinc/62/42/21/1163624221.db2.gz XYPDYYSRFHQREQ-GJZGRUSLSA-N 2 0 281.444 1.588 20 30 CDEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CC(=O)N1CC[NH2+]CC1 ZINC001574836381 1171021481 /nfs/dbraw/zinc/02/14/81/1171021481.db2.gz YOHOCQXKRLOOQJ-CQSZACIVSA-N 2 0 267.417 1.485 20 30 CDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001574852435 1171026197 /nfs/dbraw/zinc/02/61/97/1171026197.db2.gz SNOHMXFKEQZPOS-OLZOCXBDSA-N 2 0 285.819 1.589 20 30 CDEDRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC001576117418 1171335411 /nfs/dbraw/zinc/33/54/11/1171335411.db2.gz OGYQWJOKOAQRCT-RWMBFGLXSA-N 2 0 251.374 1.100 20 30 CDEDRP N#CCN1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000591570698 342637300 /nfs/dbraw/zinc/63/73/00/342637300.db2.gz CETVTISEHIRTKD-YESZJQIVSA-N 2 0 290.455 1.875 20 30 CDEDRP C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594440245 342906997 /nfs/dbraw/zinc/90/69/97/342906997.db2.gz AXEQVHNMGZJZNA-KBPBESRZSA-N 2 0 280.416 1.246 20 30 CDEDRP N#Cc1ccc(CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000595887607 343181327 /nfs/dbraw/zinc/18/13/27/343181327.db2.gz HGPGTPYXXTXAQP-MRXNPFEDSA-N 2 0 255.365 1.786 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000595960002 343196576 /nfs/dbraw/zinc/19/65/76/343196576.db2.gz RMWXKYQXOPVZKK-MJBXVCDLSA-N 2 0 278.400 1.141 20 30 CDEDRP COc1cc(C[NH2+]CCOCCC[NH3+])ccc1C#N ZINC000600777678 349879247 /nfs/dbraw/zinc/87/92/47/349879247.db2.gz VTVQBBOFQHDIBS-UHFFFAOYSA-N 2 0 263.341 1.022 20 30 CDEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598719849 343883196 /nfs/dbraw/zinc/88/31/96/343883196.db2.gz KAJKELSYPWMAKE-GJZGRUSLSA-N 2 0 281.444 1.997 20 30 CDEDRP CN(CCC[NH2+]C1CCC(C)(C#N)CC1)CC[NH+](C)C ZINC000598918728 343926224 /nfs/dbraw/zinc/92/62/24/343926224.db2.gz XOBXQQDLHLFRPN-UHFFFAOYSA-N 2 0 280.460 1.932 20 30 CDEDRP C=CCNC(=O)[C@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531205 362401449 /nfs/dbraw/zinc/40/14/49/362401449.db2.gz LPBSCKPXFORALG-HNNXBMFYSA-N 2 0 281.444 1.875 20 30 CDEDRP C[C@H](CCC#N)C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000602671634 344523185 /nfs/dbraw/zinc/52/31/85/344523185.db2.gz VZLQFWUQSWKWOA-OAHLLOKOSA-N 2 0 294.443 1.508 20 30 CDEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(N(C)C)CC1 ZINC000602694753 344542108 /nfs/dbraw/zinc/54/21/08/344542108.db2.gz JAMHTNMFYDZVTD-CYBMUJFWSA-N 2 0 265.401 1.769 20 30 CDEDRP CN(CC[N@H+](C)CC1(CC#N)CC1)C1CC[NH+](C)CC1 ZINC000602797696 344588512 /nfs/dbraw/zinc/58/85/12/344588512.db2.gz JTIKOIWBPHFYCB-UHFFFAOYSA-N 2 0 278.444 1.638 20 30 CDEDRP C[NH+](C)Cc1cccc(CNC(=[NH2+])NC(C)(C)C)c1 ZINC000264111826 362969820 /nfs/dbraw/zinc/96/98/20/362969820.db2.gz RDVTZDQOAAIQCN-UHFFFAOYSA-N 2 0 262.401 1.951 20 30 CDEDRP CNC(NC[C@@H](C)N1CCc2sccc2C1)=[NH+]C ZINC000264131819 362974384 /nfs/dbraw/zinc/97/43/84/362974384.db2.gz YCTJVAHUUQNRLG-SNVBAGLBSA-N 2 0 266.414 1.290 20 30 CDEDRP C[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)C[C@H]1C[NH3+] ZINC001579440539 1172181051 /nfs/dbraw/zinc/18/10/51/1172181051.db2.gz JNFWQWYPQHRKFQ-TZMCWYRMSA-N 2 0 259.353 1.464 20 30 CDEDRP C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)N1CC[NH+](C)CC1 ZINC000181703164 357375650 /nfs/dbraw/zinc/37/56/50/357375650.db2.gz BACPFDSZJOIQOT-GJZGRUSLSA-N 2 0 286.423 1.845 20 30 CDEDRP C[NH+]=C(NCC[N@@H+]1CCC[C@H](C)C1)NCc1ccco1 ZINC000171409858 365274451 /nfs/dbraw/zinc/27/44/51/365274451.db2.gz WNIHGDZOVVUFBI-ZDUSSCGKSA-N 2 0 278.400 1.677 20 30 CDEDRP C=CCN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000153989150 370893762 /nfs/dbraw/zinc/89/37/62/370893762.db2.gz DJYSZAYMXZEGPJ-GJZGRUSLSA-N 2 0 251.418 1.663 20 30 CDEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(C#N)cs1 ZINC000177697974 372110068 /nfs/dbraw/zinc/11/00/68/372110068.db2.gz HJIXJQDXPBDYQL-GFCCVEGCSA-N 2 0 278.425 1.345 20 30 CDEDRP C[NH+](C)C1CCN(CC[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000176989510 372092486 /nfs/dbraw/zinc/09/24/86/372092486.db2.gz KXLZQYACTFNPMR-UHFFFAOYSA-N 2 0 292.452 1.735 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000579491517 372577300 /nfs/dbraw/zinc/57/73/00/372577300.db2.gz DNCYKHNYDMFBMZ-ZDUSSCGKSA-N 2 0 265.401 1.095 20 30 CDEDRP CC#CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132111878 1163176094 /nfs/dbraw/zinc/17/60/94/1163176094.db2.gz XOMMRRQACPQDNT-LSDHHAIUSA-N 2 0 291.439 1.463 20 30 CDEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195291505 376000713 /nfs/dbraw/zinc/00/07/13/376000713.db2.gz KHTWTGPFXOSYQU-INIZCTEOSA-N 2 0 286.423 1.989 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2(C)CC[NH2+]CC2)CC1 ZINC000417518551 377804625 /nfs/dbraw/zinc/80/46/25/377804625.db2.gz CFBOJMVDDNXTMG-UHFFFAOYSA-N 2 0 294.443 1.468 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@@H]2CCC)CC1 ZINC000417529542 377882994 /nfs/dbraw/zinc/88/29/94/377882994.db2.gz PYTMVDSWRCXNPJ-HNNXBMFYSA-N 2 0 294.443 1.420 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000417534901 377893603 /nfs/dbraw/zinc/89/36/03/377893603.db2.gz WIAOMGHLOCQKCK-CQSZACIVSA-N 2 0 294.443 1.468 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C[NH3+])CCCC)CC1 ZINC000417536784 377899880 /nfs/dbraw/zinc/89/98/80/377899880.db2.gz LGSDJIMDMBEUBW-HNNXBMFYSA-N 2 0 296.459 1.844 20 30 CDEDRP C=CCC[C@H](O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343719754 378944346 /nfs/dbraw/zinc/94/43/46/378944346.db2.gz LJRFQZJTEPMPEC-RDJZCZTQSA-N 2 0 295.471 1.414 20 30 CDEDRP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000104172464 390485588 /nfs/dbraw/zinc/48/55/88/390485588.db2.gz RSGZCBVINOMADF-GFCCVEGCSA-N 2 0 288.395 1.906 20 30 CDEDRP C=C(C)CN(CC)C(=O)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000152440294 390664342 /nfs/dbraw/zinc/66/43/42/390664342.db2.gz ZLJDFDZXTPQYEJ-HNNXBMFYSA-N 2 0 281.444 1.685 20 30 CDEDRP C=CCOCC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000339061520 391248826 /nfs/dbraw/zinc/24/88/26/391248826.db2.gz LUAHZPCNKYEPQW-OAHLLOKOSA-N 2 0 281.444 1.289 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375901091 391205091 /nfs/dbraw/zinc/20/50/91/391205091.db2.gz ATLZIIKVGGPPPA-HNNXBMFYSA-N 2 0 251.418 1.663 20 30 CDEDRP CN(CCC[N@H+](C)[C@H]1CC[C@@H](C#N)C1)CC[NH+](C)C ZINC000339206726 391269471 /nfs/dbraw/zinc/26/94/71/391269471.db2.gz XFNGDHYTVKHJAS-CABCVRRESA-N 2 0 266.433 1.494 20 30 CDEDRP C=CCC[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435693342 391655541 /nfs/dbraw/zinc/65/55/41/391655541.db2.gz JARBUASUDLPONZ-CQSZACIVSA-N 2 0 274.412 1.940 20 30 CDEDRP CN(C(=[NH2+])NCCC[N@H+](C)Cc1ccccc1)C1CC1 ZINC000273325695 263015419 /nfs/dbraw/zinc/01/54/19/263015419.db2.gz HQJGTYZVITUDFI-UHFFFAOYSA-N 2 0 274.412 1.917 20 30 CDEDRP C[NH+](C)CCCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288804728 263106102 /nfs/dbraw/zinc/10/61/02/263106102.db2.gz ZOEDWZMTIMPZDD-UHFFFAOYSA-N 2 0 256.300 1.643 20 30 CDEDRP C#Cc1ccc(C[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000290214762 275387752 /nfs/dbraw/zinc/38/77/52/275387752.db2.gz FCJLESQGAFXRCX-UHFFFAOYSA-N 2 0 271.408 1.395 20 30 CDEDRP C[C@@H](C(=O)NC1(C#N)CC[NH+](C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000558696215 327114506 /nfs/dbraw/zinc/11/45/06/327114506.db2.gz OVICGHNOBHHFGS-MCIONIFRSA-N 2 0 292.427 1.352 20 30 CDEDRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185881479 329334392 /nfs/dbraw/zinc/33/43/92/329334392.db2.gz ATYPTMXMIVOHRM-JKSUJKDBSA-N 2 0 278.444 1.686 20 30 CDEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=[NH2+])N2CCC[C@H](C)C2)C1 ZINC000262295616 330004996 /nfs/dbraw/zinc/00/49/96/330004996.db2.gz NJFSZHPMQCBQOR-GJZGRUSLSA-N 2 0 296.459 1.390 20 30 CDEDRP CC[NH+]=C(NCC1(O)CCC1)NC1CC[NH+](C(C)C)CC1 ZINC000262492713 330017453 /nfs/dbraw/zinc/01/74/53/330017453.db2.gz ADWXZUAQFFGURZ-UHFFFAOYSA-N 2 0 296.459 1.329 20 30 CDEDRP COC1CC[NH+](C2(CNC3=[NH+]CCN3C)CCCC2)CC1 ZINC000262673670 330025913 /nfs/dbraw/zinc/02/59/13/330025913.db2.gz SGIKHDKIZYCDPH-UHFFFAOYSA-N 2 0 294.443 1.301 20 30 CDEDRP CCC(O)(CC)CNC(=[NH+]C)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262798710 330032271 /nfs/dbraw/zinc/03/22/71/330032271.db2.gz QIMBZURSHMTRBH-CQSZACIVSA-N 2 0 294.443 1.059 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cnc(C)cc1C ZINC000263050484 330040865 /nfs/dbraw/zinc/04/08/65/330040865.db2.gz DKMDSIXDODAIRT-OAHLLOKOSA-N 2 0 289.427 1.587 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1=CCCCC1 ZINC000263153250 330046121 /nfs/dbraw/zinc/04/61/21/330046121.db2.gz PSOQHTDLRYRSRX-CQSZACIVSA-N 2 0 264.417 1.875 20 30 CDEDRP C[C@@H]1CCCN(C(=[NH2+])NCC2=CC[N@H+](C)CC2)C1 ZINC000263195123 330048504 /nfs/dbraw/zinc/04/85/04/330048504.db2.gz ZVWUHXYUXHRYIS-GFCCVEGCSA-N 2 0 250.390 1.295 20 30 CDEDRP C=CCCC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000422017048 330116763 /nfs/dbraw/zinc/11/67/63/330116763.db2.gz ITVCFEQZFGOGQF-UHFFFAOYSA-N 2 0 293.455 1.971 20 30 CDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423014152 330165297 /nfs/dbraw/zinc/16/52/97/330165297.db2.gz HLQNLDMMVKIAAJ-LJISPDSOSA-N 2 0 252.402 1.681 20 30 CDEDRP C[NH+](C)CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C(C)(C)C ZINC000424147558 330293920 /nfs/dbraw/zinc/29/39/20/330293920.db2.gz ROVCHRFMKNVQAW-STQMWFEESA-N 2 0 282.432 1.490 20 30 CDEDRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]([NH3+])CCCC#N ZINC000424159219 330306165 /nfs/dbraw/zinc/30/61/65/330306165.db2.gz VDSYQUAJBSZSER-RDBSUJKOSA-N 2 0 278.400 1.093 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000490763655 332114233 /nfs/dbraw/zinc/11/42/33/332114233.db2.gz VABYWLLPFLUUAG-UHFFFAOYSA-N 2 0 291.439 1.132 20 30 CDEDRP C#CCNC(=O)CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000491154959 332158159 /nfs/dbraw/zinc/15/81/59/332158159.db2.gz NPGJYBTUZBJTKK-OAHLLOKOSA-N 2 0 277.412 1.076 20 30 CDEDRP C#CC(C)(C)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000491210109 332166770 /nfs/dbraw/zinc/16/67/70/332166770.db2.gz QBBVAIUIPGHEHW-UHFFFAOYSA-N 2 0 265.445 1.746 20 30 CDEDRP C#CCN1CCN(C(=O)C[N@@H+](C)[C@@H](C)CCCC)CC1 ZINC000491642966 332261936 /nfs/dbraw/zinc/26/19/36/332261936.db2.gz ZHIDBHBXUJZBDB-HNNXBMFYSA-N 2 0 279.428 1.274 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000491739921 332319070 /nfs/dbraw/zinc/31/90/70/332319070.db2.gz UMQYVSOZAXXMFN-INIZCTEOSA-N 2 0 291.439 1.273 20 30 CDEDRP C#CCN(C)CCC[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC000491807829 332360876 /nfs/dbraw/zinc/36/08/76/332360876.db2.gz TWYTXBFTIDDJGY-RDJZCZTQSA-N 2 0 274.408 1.696 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000186990150 333167067 /nfs/dbraw/zinc/16/70/67/333167067.db2.gz KSTMHJNSOQAWID-UHFFFAOYSA-N 2 0 291.439 1.274 20 30 CDEDRP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000252702160 334385830 /nfs/dbraw/zinc/38/58/30/334385830.db2.gz GPLOHNPJLBDAMD-UONOGXRCSA-N 2 0 265.401 1.143 20 30 CDEDRP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001755325408 1159835227 /nfs/dbraw/zinc/83/52/27/1159835227.db2.gz YOOSRYITOSPDQA-RDJZCZTQSA-N 2 0 293.455 1.875 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000747404410 576868639 /nfs/dbraw/zinc/86/86/39/576868639.db2.gz JTDQVNATWDFWAU-INIZCTEOSA-N 2 0 291.439 1.465 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC000971711885 613080414 /nfs/dbraw/zinc/08/04/14/613080414.db2.gz FSPAIMXYMXTLPB-LSDHHAIUSA-N 2 0 277.412 1.027 20 30 CDEDRP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000948240487 613179225 /nfs/dbraw/zinc/17/92/25/613179225.db2.gz GMVCGDAAVABFAJ-LSDHHAIUSA-N 2 0 277.412 1.027 20 30 CDEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000971560087 613289847 /nfs/dbraw/zinc/28/98/47/613289847.db2.gz COSMILYKHMXQHH-QLFBSQMISA-N 2 0 279.428 1.435 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000981340678 613308455 /nfs/dbraw/zinc/30/84/55/613308455.db2.gz HWNNSRAUYMELOP-UHFFFAOYSA-N 2 0 279.428 1.581 20 30 CDEDRP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000981960901 613311555 /nfs/dbraw/zinc/31/15/55/613311555.db2.gz ZUCQPEAAFBMCPD-GJZGRUSLSA-N 2 0 279.428 1.295 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000970478401 613348313 /nfs/dbraw/zinc/34/83/13/613348313.db2.gz IZQYAVULNQQKST-ZIAGYGMSSA-N 2 0 265.401 1.095 20 30 CDEDRP C=CCC[N@H+]1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000982086657 613492624 /nfs/dbraw/zinc/49/26/24/613492624.db2.gz NASZAEQSGPGSFV-UHFFFAOYSA-N 2 0 293.455 1.829 20 30 CDEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000947684016 613780591 /nfs/dbraw/zinc/78/05/91/613780591.db2.gz FQSWMAXYAZVKHO-HIFRSBDPSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000977659793 613807953 /nfs/dbraw/zinc/80/79/53/613807953.db2.gz YCWKBCNGYZNVPK-LSDHHAIUSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCN2C)C(C)(C)C1 ZINC000972857663 613827677 /nfs/dbraw/zinc/82/76/77/613827677.db2.gz LIDHRWZAVSHTJE-OLZOCXBDSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000968672553 613862988 /nfs/dbraw/zinc/86/29/88/613862988.db2.gz HQPXUFFZIFCCDS-CQSZACIVSA-N 2 0 279.428 1.627 20 30 CDEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC)[C@H]2CC[NH2+]C2)CC1 ZINC000891520211 617458518 /nfs/dbraw/zinc/45/85/18/617458518.db2.gz GGTIFCNFANSERD-HNNXBMFYSA-N 2 0 294.443 1.420 20 30 CDEDRP CC(C)[NH+]=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC(C)(C)C ZINC000912509616 630049727 /nfs/dbraw/zinc/04/97/27/630049727.db2.gz LTCQIAAZPGOILX-ZIAGYGMSSA-N 2 0 296.459 1.592 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001022490424 1159072194 /nfs/dbraw/zinc/07/21/94/1159072194.db2.gz CSVGYSWLMJLCSU-QLFBSQMISA-N 2 0 277.412 1.284 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000804523219 1162483977 /nfs/dbraw/zinc/48/39/77/1162483977.db2.gz MXQRMLXVGUGDHX-UONOGXRCSA-N 2 0 265.401 1.189 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130710721 1162697629 /nfs/dbraw/zinc/69/76/29/1162697629.db2.gz BMTLYVWFASZEKT-HNNXBMFYSA-N 2 0 281.444 1.779 20 30 CDEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001168136605 1160434737 /nfs/dbraw/zinc/43/47/37/1160434737.db2.gz HZFOCOLBMOTNJA-OAHLLOKOSA-N 2 0 293.455 1.780 20 30 CDEDRP C=C(C)CC[NH+]1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001113270559 1162142906 /nfs/dbraw/zinc/14/29/06/1162142906.db2.gz SIMKDMFSWQHKCD-UHFFFAOYSA-N 2 0 279.428 1.439 20 30 CDEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001113307387 1162149985 /nfs/dbraw/zinc/14/99/85/1162149985.db2.gz CPGDJEFZDAYYAP-OAHLLOKOSA-N 2 0 281.444 1.683 20 30 CDEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001133181561 1163597563 /nfs/dbraw/zinc/59/75/63/1163597563.db2.gz CYRCKXJEDAFOAY-CVEARBPZSA-N 2 0 295.471 1.979 20 30 CDEDRP COCC#CC[NH+]1CCC2(C[NH2+][C@H]2C(C)C)CC1 ZINC001578948755 1172059076 /nfs/dbraw/zinc/05/90/76/1172059076.db2.gz GCJFOHSNPZAZBR-AWEZNQCLSA-N 2 0 250.386 1.346 20 30 CDEDRP C=CCC[C@H](C)[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001753391897 1184527415 /nfs/dbraw/zinc/52/74/15/1184527415.db2.gz GCINLGTUOULACM-ZDUSSCGKSA-N 2 0 277.412 1.237 20 30 CDEDRP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001752823942 1184925765 /nfs/dbraw/zinc/92/57/65/1184925765.db2.gz MYKVIOHCYZMHCQ-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CCC[NH2+][C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001752909315 1184961044 /nfs/dbraw/zinc/96/10/44/1184961044.db2.gz YUZDBCMPWHJFJO-CQSZACIVSA-N 2 0 287.407 1.479 20 30 CDEDRP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001753039601 1185006886 /nfs/dbraw/zinc/00/68/86/1185006886.db2.gz GHYZXNUTZGFQTC-HOTGVXAUSA-N 2 0 291.439 1.322 20 30 CDEDRP CC#CC[NH2+]CCN(C)C(=O)c1sccc1C[NH+](C)C ZINC001753194811 1185113416 /nfs/dbraw/zinc/11/34/16/1185113416.db2.gz VMQABEOZABTGJB-UHFFFAOYSA-N 2 0 293.436 1.495 20 30 CDEDRP C#CC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001753301339 1185147384 /nfs/dbraw/zinc/14/73/84/1185147384.db2.gz GQOBBODMBSWKHA-RDJZCZTQSA-N 2 0 299.418 1.409 20 30 CDEDRP CC#CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001753671622 1185294254 /nfs/dbraw/zinc/29/42/54/1185294254.db2.gz WESXEFNMMIMAPO-HNNXBMFYSA-N 2 0 291.439 1.370 20 30 CDEDRP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001753896086 1185385010 /nfs/dbraw/zinc/38/50/10/1185385010.db2.gz SROHCXRNIAEVND-GJZGRUSLSA-N 2 0 291.439 1.226 20 30 CDEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1CC ZINC001754471080 1185630478 /nfs/dbraw/zinc/63/04/78/1185630478.db2.gz VESYIQLSBMCILZ-HOTGVXAUSA-N 2 0 293.455 1.568 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001754506285 1185647812 /nfs/dbraw/zinc/64/78/12/1185647812.db2.gz ZNCICCRIGIGAQI-CQSZACIVSA-N 2 0 267.417 1.483 20 30 CDEDRP CC#CC[NH2+]CCC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001755502662 1185973829 /nfs/dbraw/zinc/97/38/29/1185973829.db2.gz KEDWTJRRJXHAEH-CQSZACIVSA-N 2 0 279.428 1.369 20 30 CDEDRP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001755505718 1185974469 /nfs/dbraw/zinc/97/44/69/1185974469.db2.gz MMCWFNGKNLXWQK-JKSUJKDBSA-N 2 0 293.455 1.615 20 30 CDEDRP C#CCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001755530334 1185981237 /nfs/dbraw/zinc/98/12/37/1185981237.db2.gz AOESEHOYIZUZJO-MRXNPFEDSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001755603112 1186008737 /nfs/dbraw/zinc/00/87/37/1186008737.db2.gz YSNNKCPFCFBUIR-LSDHHAIUSA-N 2 0 281.444 1.731 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001755665529 1186029414 /nfs/dbraw/zinc/02/94/14/1186029414.db2.gz XWCXGCDKAOPTHA-QWHCGFSZSA-N 2 0 253.390 1.093 20 30 CDEDRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(OCC#N)cc1 ZINC000873256362 1165530977 /nfs/dbraw/zinc/53/09/77/1165530977.db2.gz OARCDCKKFDJPNN-OBJOEFQTSA-N 2 0 259.353 1.977 20 30 CDEDRP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001566738969 1168404797 /nfs/dbraw/zinc/40/47/97/1168404797.db2.gz RDOVJMMRHYWMIG-CVEARBPZSA-N 2 0 291.439 1.274 20 30 CDEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992149932 912752241 /nfs/dbraw/zinc/75/22/41/912752241.db2.gz GNDQNEQZQXRDFG-NVXWUHKLSA-N 2 0 289.423 1.075 20 30 CDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001121931092 913250831 /nfs/dbraw/zinc/25/08/31/913250831.db2.gz CUVQZLJMYFYBKD-UONOGXRCSA-N 2 0 285.432 1.250 20 30 CDEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001174961770 913417226 /nfs/dbraw/zinc/41/72/26/913417226.db2.gz OGOIBIATBOGVAM-AWEZNQCLSA-N 2 0 269.433 1.779 20 30 CDEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[NH+](CC)CC ZINC001175766722 913778649 /nfs/dbraw/zinc/77/86/49/913778649.db2.gz ACAQAJSQNKAXHQ-AWEZNQCLSA-N 2 0 267.417 1.226 20 30 CDEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001208330823 894160157 /nfs/dbraw/zinc/16/01/57/894160157.db2.gz GLILCOXJFUFWCH-CQSZACIVSA-N 2 0 277.412 1.075 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001106312299 913850848 /nfs/dbraw/zinc/85/08/48/913850848.db2.gz BETIKPOLVNOBRC-RBSFLKMASA-N 2 0 281.444 1.587 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001106336570 913859788 /nfs/dbraw/zinc/85/97/88/913859788.db2.gz UOZARYJCAVPHMP-HUUCEWRRSA-N 2 0 295.471 1.977 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001020865648 894697453 /nfs/dbraw/zinc/69/74/53/894697453.db2.gz LHPCXURWNYVVGK-WKILWMFISA-N 2 0 293.455 1.920 20 30 CDEDRP C#CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001209659429 894802932 /nfs/dbraw/zinc/80/29/32/894802932.db2.gz DGUWQIYUHMDVAP-AWEZNQCLSA-N 2 0 279.428 1.178 20 30 CDEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021091217 895101073 /nfs/dbraw/zinc/10/10/73/895101073.db2.gz TUQKHOYZPHSYRT-WKILWMFISA-N 2 0 287.407 1.785 20 30 CDEDRP C#CCC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397586179 895213907 /nfs/dbraw/zinc/21/39/07/895213907.db2.gz HFHPNGBYFVDWJL-UHFFFAOYSA-N 2 0 272.392 1.626 20 30 CDEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176167311 913977058 /nfs/dbraw/zinc/97/70/58/913977058.db2.gz XSBLRAKOQIDNAZ-CVEARBPZSA-N 2 0 293.455 1.616 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001481045380 898677392 /nfs/dbraw/zinc/67/73/92/898677392.db2.gz KDAVQHZMICTHOZ-CHWSQXEVSA-N 2 0 253.390 1.093 20 30 CDEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001104638835 898827060 /nfs/dbraw/zinc/82/70/60/898827060.db2.gz FTWRJOOXWCAXBS-BZUAXINKSA-N 2 0 293.455 1.280 20 30 CDEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105010507 899787401 /nfs/dbraw/zinc/78/74/01/899787401.db2.gz OLZNNYYZOACQNC-BZUAXINKSA-N 2 0 291.439 1.036 20 30 CDEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993758190 914396031 /nfs/dbraw/zinc/39/60/31/914396031.db2.gz IDSWOCBZLTUPNJ-GDBMZVCRSA-N 2 0 291.439 1.321 20 30 CDEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001027466397 900519026 /nfs/dbraw/zinc/51/90/26/900519026.db2.gz WDFYUQAMADSBAF-CABCVRRESA-N 2 0 279.428 1.580 20 30 CDEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001027578643 900621166 /nfs/dbraw/zinc/62/11/66/900621166.db2.gz PODCJMQXEDJYII-CABCVRRESA-N 2 0 281.444 1.826 20 30 CDEDRP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001027893263 900953919 /nfs/dbraw/zinc/95/39/19/900953919.db2.gz QMVJDBILMYBTSH-HRCADAONSA-N 2 0 291.439 1.321 20 30 CDEDRP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001027928331 901012062 /nfs/dbraw/zinc/01/20/62/901012062.db2.gz MUTALMDFSMTHOB-CVEARBPZSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001027928334 901012519 /nfs/dbraw/zinc/01/25/19/901012519.db2.gz MUTALMDFSMTHOB-JKSUJKDBSA-N 2 0 291.439 1.178 20 30 CDEDRP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001028098734 901332844 /nfs/dbraw/zinc/33/28/44/901332844.db2.gz VGLWDFQECNQGPB-JYJNAYRXSA-N 2 0 291.439 1.321 20 30 CDEDRP N#Cc1cc2c(cccc2NC(=[NH2+])NCCCC[NH3+])[nH]1 ZINC001167879197 901611171 /nfs/dbraw/zinc/61/11/71/901611171.db2.gz ULTCBVXNATUXJM-UHFFFAOYSA-N 2 0 270.340 1.715 20 30 CDEDRP C[NH+]=C(NCC(C)(C)[NH+](C)C)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261794002 902890433 /nfs/dbraw/zinc/89/04/33/902890433.db2.gz OTFBXTKVQQJSKU-NEPJUHHUSA-N 2 0 284.448 1.305 20 30 CDEDRP CC(C)CNC(=[NH2+])NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000262011267 904796214 /nfs/dbraw/zinc/79/62/14/904796214.db2.gz UIDHZJQYSSXBMM-STQMWFEESA-N 2 0 254.422 1.810 20 30 CDEDRP CCCCCCNC(=[NH2+])NCC[N@H+](CC)C1CC1 ZINC000303978552 904977180 /nfs/dbraw/zinc/97/71/80/904977180.db2.gz MKBLRWXQEIQKDL-UHFFFAOYSA-N 2 0 254.422 1.955 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001088095257 906302885 /nfs/dbraw/zinc/30/28/85/906302885.db2.gz CRQNEGXCYZUSRR-OWCLPIDISA-N 2 0 293.455 1.539 20 30 CDEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001002803830 921242483 /nfs/dbraw/zinc/24/24/83/921242483.db2.gz VWLGSQGEIYQLQB-HOCLYGCPSA-N 2 0 289.423 1.075 20 30 CDEDRP CC[N@H+](CCCNC1=[NH+]C[C@H](C)N1)C1CCCCC1 ZINC000849047102 906806365 /nfs/dbraw/zinc/80/63/65/906806365.db2.gz QJHQREITYPOUFK-ZDUSSCGKSA-N 2 0 266.433 1.968 20 30 CDEDRP NC(=[NH2+])N=NC1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000841619987 907624903 /nfs/dbraw/zinc/62/49/03/907624903.db2.gz QBISLLMMYFZIJL-CQSZACIVSA-N 2 0 271.368 1.825 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001229504298 908184535 /nfs/dbraw/zinc/18/45/35/908184535.db2.gz UWZPAUZNOZZPGZ-ZIAGYGMSSA-N 2 0 267.417 1.531 20 30 CDEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001075940419 908818946 /nfs/dbraw/zinc/81/89/46/908818946.db2.gz OGALNTIZGTYIKL-ARFHVFGLSA-N 2 0 293.455 1.826 20 30 CDEDRP C=CCC[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989669324 908966140 /nfs/dbraw/zinc/96/61/40/908966140.db2.gz AJGUYVFSDPJMPN-UHFFFAOYSA-N 2 0 265.401 1.193 20 30 CDEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189400823 921474004 /nfs/dbraw/zinc/47/40/04/921474004.db2.gz OLWJLKQTVDFMTR-LSDHHAIUSA-N 2 0 279.428 1.580 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076569105 909904786 /nfs/dbraw/zinc/90/47/86/909904786.db2.gz KAKNVAONMFIQAR-RRFJBIMHSA-N 2 0 277.412 1.047 20 30 CDEDRP C=CC[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001178698200 915587234 /nfs/dbraw/zinc/58/72/34/915587234.db2.gz BJVLJCOLNNELIY-OAHLLOKOSA-N 2 0 281.444 1.779 20 30 CDEDRP C=CC[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031766480 915757980 /nfs/dbraw/zinc/75/79/80/915757980.db2.gz JPYOVYSCKQHHKA-HUUCEWRRSA-N 2 0 277.412 1.237 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179472225 915849479 /nfs/dbraw/zinc/84/94/79/915849479.db2.gz JCVHBIRTLFIERM-RYUDHWBXSA-N 2 0 273.808 1.270 20 30 CDEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180131404 916149339 /nfs/dbraw/zinc/14/93/39/916149339.db2.gz CCNJOWNMLWXWAK-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP CCN(CC)C(=[NH2+])NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000303890237 935047337 /nfs/dbraw/zinc/04/73/37/935047337.db2.gz MMAZAAJMKOZLCE-STQMWFEESA-N 2 0 254.422 1.906 20 30 CDEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052820345 936401616 /nfs/dbraw/zinc/40/16/16/936401616.db2.gz ODTHCTQDCVVXMV-MRXNPFEDSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001182692575 918072746 /nfs/dbraw/zinc/07/27/46/918072746.db2.gz NPFHOVQYRZIFAE-QLFBSQMISA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CC1(C)C ZINC000996313527 918245533 /nfs/dbraw/zinc/24/55/33/918245533.db2.gz DPNHZZXNIYKKRL-QWHCGFSZSA-N 2 0 267.417 1.339 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001000199186 936526664 /nfs/dbraw/zinc/52/66/64/936526664.db2.gz NWERCVKORPJAJY-OAHLLOKOSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001032454350 919155089 /nfs/dbraw/zinc/15/50/89/919155089.db2.gz NTOFHOUCGJTZPE-ILXRZTDVSA-N 2 0 277.412 1.332 20 30 CDEDRP C#CCC[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001202864798 936566428 /nfs/dbraw/zinc/56/64/28/936566428.db2.gz ZURZTXKQUJCNFP-CYBMUJFWSA-N 2 0 288.395 1.192 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001052254730 936579840 /nfs/dbraw/zinc/57/98/40/936579840.db2.gz OSEWJROJOWEDGE-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001185356948 919544342 /nfs/dbraw/zinc/54/43/42/919544342.db2.gz BDJGQXJVIDOILA-HZPDHXFCSA-N 2 0 293.455 1.426 20 30 CDEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001185448169 919630550 /nfs/dbraw/zinc/63/05/50/919630550.db2.gz WIDMUPOSEXMOMZ-JKSUJKDBSA-N 2 0 295.471 1.979 20 30 CDEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001185680277 919721093 /nfs/dbraw/zinc/72/10/93/919721093.db2.gz FNGHWUBBMOYKSM-LSDHHAIUSA-N 2 0 279.428 1.342 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000999307202 919733810 /nfs/dbraw/zinc/73/38/10/919733810.db2.gz MVOXDLLOFZIPRK-CABCVRRESA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000999404188 919752458 /nfs/dbraw/zinc/75/24/58/919752458.db2.gz TYEWOZVLVKZMRL-IYXRBSQSSA-N 2 0 265.401 1.093 20 30 CDEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001185751018 919752792 /nfs/dbraw/zinc/75/27/92/919752792.db2.gz NOHPEOKZQLTCQP-CVEARBPZSA-N 2 0 295.471 1.977 20 30 CDEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000999683120 919777139 /nfs/dbraw/zinc/77/71/39/919777139.db2.gz WKHASLNDZNVAEZ-IYXRBSQSSA-N 2 0 299.846 1.660 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001187306444 920486130 /nfs/dbraw/zinc/48/61/30/920486130.db2.gz JGICLPHQXRTCCL-OAHLLOKOSA-N 2 0 281.444 1.875 20 30 CDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001072981615 936714543 /nfs/dbraw/zinc/71/45/43/936714543.db2.gz MKDBGPMHDKAIKJ-GJZGRUSLSA-N 2 0 291.439 1.295 20 30 CDEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014698600 922044150 /nfs/dbraw/zinc/04/41/50/922044150.db2.gz AFFTZECNVDCPAE-HZPDHXFCSA-N 2 0 293.455 1.731 20 30 CDEDRP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001033686352 922313333 /nfs/dbraw/zinc/31/33/33/922313333.db2.gz PFRNRPDXGOSSMR-HZPDHXFCSA-N 2 0 291.439 1.417 20 30 CDEDRP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192384833 923050938 /nfs/dbraw/zinc/05/09/38/923050938.db2.gz AIMMRKSMTGJAGQ-CABCVRRESA-N 2 0 297.443 1.062 20 30 CDEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192407345 923086660 /nfs/dbraw/zinc/08/66/60/923086660.db2.gz UYAMKGIEMMUQBI-HNNXBMFYSA-N 2 0 293.455 1.520 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001036055972 923094345 /nfs/dbraw/zinc/09/43/45/923094345.db2.gz SECJLUQZIFSPMW-ZIAGYGMSSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194011379 924013274 /nfs/dbraw/zinc/01/32/74/924013274.db2.gz SAMJYKBZVJCPQH-KBPBESRZSA-N 2 0 265.401 1.047 20 30 CDEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194072585 924052069 /nfs/dbraw/zinc/05/20/69/924052069.db2.gz RUQHLYZPGHTIHA-MRXNPFEDSA-N 2 0 291.439 1.418 20 30 CDEDRP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194283954 924160083 /nfs/dbraw/zinc/16/00/83/924160083.db2.gz CQANSVXUXUSZDN-HNNXBMFYSA-N 2 0 281.444 1.826 20 30 CDEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001080052563 924474580 /nfs/dbraw/zinc/47/45/80/924474580.db2.gz KONUARRYYOEPLI-IUODEOHRSA-N 2 0 284.363 1.570 20 30 CDEDRP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001080310867 924535342 /nfs/dbraw/zinc/53/53/42/924535342.db2.gz HLSATBCWTTWZDI-BZUAXINKSA-N 2 0 293.455 1.731 20 30 CDEDRP C[NH+](C)CCC[N@@H+]1CC[C@]2(CCN(CCCC#N)C2=O)C1 ZINC001273711489 924798550 /nfs/dbraw/zinc/79/85/50/924798550.db2.gz DZNMKJZKVJAOQE-INIZCTEOSA-N 2 0 292.427 1.166 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001082861635 925012619 /nfs/dbraw/zinc/01/26/19/925012619.db2.gz IYSDDDDDHXHFAI-RBSFLKMASA-N 2 0 279.428 1.341 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001084404702 925252840 /nfs/dbraw/zinc/25/28/40/925252840.db2.gz MQUCOFLMWPWAGS-HUUCEWRRSA-N 2 0 291.439 1.580 20 30 CDEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001199787827 925859550 /nfs/dbraw/zinc/85/95/50/925859550.db2.gz DTSCFFPNAYKQMG-OAHLLOKOSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001085331427 925890126 /nfs/dbraw/zinc/89/01/26/925890126.db2.gz KCGDLFFKZOWPNU-RBSFLKMASA-N 2 0 279.428 1.674 20 30 CDEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290683 937050484 /nfs/dbraw/zinc/05/04/84/937050484.db2.gz QICFFCDLQJBDFD-HUUCEWRRSA-N 2 0 293.455 1.588 20 30 CDEDRP C=CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085593531 926192823 /nfs/dbraw/zinc/19/28/23/926192823.db2.gz LLAXBUAFISQQME-GJZGRUSLSA-N 2 0 279.428 1.578 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085598639 926201685 /nfs/dbraw/zinc/20/16/85/926201685.db2.gz XKNBDEPMGKLCBM-HOTGVXAUSA-N 2 0 291.439 1.437 20 30 CDEDRP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927654 926514121 /nfs/dbraw/zinc/51/41/21/926514121.db2.gz CYSNTEBIPFBYPK-CQSZACIVSA-N 2 0 277.412 1.191 20 30 CDEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085973031 926563381 /nfs/dbraw/zinc/56/33/81/926563381.db2.gz NFQCVRWCTMXEMP-ZIAGYGMSSA-N 2 0 265.401 1.047 20 30 CDEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855160816 928364966 /nfs/dbraw/zinc/36/49/66/928364966.db2.gz GJDQHOSYVYPLTB-ZDUSSCGKSA-N 2 0 267.417 1.341 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001252488115 928692367 /nfs/dbraw/zinc/69/23/67/928692367.db2.gz GDSRRUQCKYTYFQ-RUXDESIVSA-N 2 0 256.390 1.012 20 30 CDEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653520 929000750 /nfs/dbraw/zinc/00/07/50/929000750.db2.gz VRTJQSYFMKPVMU-ILXRZTDVSA-N 2 0 279.428 1.626 20 30 CDEDRP c1nncn1[NH+]=C1CCOC[C@@H]1C[NH+]1CCCCC1 ZINC000787143768 929319125 /nfs/dbraw/zinc/31/91/25/929319125.db2.gz BNTQIMJFZIHVTI-LBPRGKRZSA-N 2 0 263.345 1.005 20 30 CDEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152392353 937358537 /nfs/dbraw/zinc/35/85/37/937358537.db2.gz NQYGDXAFYJYOBW-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C=CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001170784043 929995251 /nfs/dbraw/zinc/99/52/51/929995251.db2.gz CVDPLPZDLTVTLK-HNNXBMFYSA-N 2 0 281.444 1.923 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001115543460 937391885 /nfs/dbraw/zinc/39/18/85/937391885.db2.gz JIYYFCHDERJVPV-HUUCEWRRSA-N 2 0 291.439 1.369 20 30 CDEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135315540 930150453 /nfs/dbraw/zinc/15/04/53/930150453.db2.gz PVEKORBJXVWWQR-UONOGXRCSA-N 2 0 269.433 1.777 20 30 CDEDRP C#CC[NH2+]C1(CNC(=O)C[N@H+]2CCC[C@H]2C)CCCCC1 ZINC001115729682 937416055 /nfs/dbraw/zinc/41/60/55/937416055.db2.gz PADFOQGTQMJNNB-OAHLLOKOSA-N 2 0 291.439 1.513 20 30 CDEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135977759 930587737 /nfs/dbraw/zinc/58/77/37/930587737.db2.gz YNSWLUKOOSSACE-QWHCGFSZSA-N 2 0 289.851 1.954 20 30 CDEDRP CCCCCCCC[C@H](O)C[NH2+][C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001245981932 930846913 /nfs/dbraw/zinc/84/69/13/930846913.db2.gz HIHYZOTWUMIMSC-ZJIFWQFVSA-N 2 0 284.444 1.674 20 30 CDEDRP C#CC[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000886357435 930870178 /nfs/dbraw/zinc/87/01/78/930870178.db2.gz GXCWPOUBUVRKGY-HNNXBMFYSA-N 2 0 291.439 1.321 20 30 CDEDRP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+]2CCCCC#N)C1=O ZINC001274042451 931141221 /nfs/dbraw/zinc/14/12/21/931141221.db2.gz GXCVODLKAZIWAP-MRXNPFEDSA-N 2 0 292.427 1.309 20 30 CDEDRP CC1CC[NH+](CCNC(=[NH2+])N2CCCCC2)CC1 ZINC000104168095 931322757 /nfs/dbraw/zinc/32/27/57/931322757.db2.gz JRTYUGSQDDNOAP-UHFFFAOYSA-N 2 0 252.406 1.519 20 30 CDEDRP C=CCCCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001274974305 931621698 /nfs/dbraw/zinc/62/16/98/931621698.db2.gz GOPKTUPYZBSINC-IYBDPMFKSA-N 2 0 281.444 1.289 20 30 CDEDRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3ccc(C#N)nc3)[C@@H]2C1 ZINC001275296239 931728545 /nfs/dbraw/zinc/72/85/45/931728545.db2.gz WIYXXOXRCJEBCE-DOTOQJQBSA-N 2 0 299.422 1.021 20 30 CDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC)CC1 ZINC001146792606 932316742 /nfs/dbraw/zinc/31/67/42/932316742.db2.gz GXKMGXBJCKNKGT-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+]CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147333290 932471065 /nfs/dbraw/zinc/47/10/65/932471065.db2.gz IEXUXWBQNYOUFY-UHFFFAOYSA-N 2 0 265.401 1.000 20 30 CDEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155812359 937676420 /nfs/dbraw/zinc/67/64/20/937676420.db2.gz LUCZBPBTTGXANN-ZDUSSCGKSA-N 2 0 253.390 1.143 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115450582 934116816 /nfs/dbraw/zinc/11/68/16/934116816.db2.gz GLLXTWWFZGGHPD-CQSZACIVSA-N 2 0 279.428 1.675 20 30 CDEDRP C=CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120005458 937773127 /nfs/dbraw/zinc/77/31/27/937773127.db2.gz QIRNYRDUDYIYPI-OAHLLOKOSA-N 2 0 293.455 1.923 20 30 CDEDRP CCC(CC)[C@H](CNC(=[NH2+])N[C@@H](C)COC)[NH+](C)C ZINC000303778938 935043491 /nfs/dbraw/zinc/04/34/91/935043491.db2.gz KDHQIHXNHUGXJT-AAEUAGOBSA-N 2 0 272.437 1.292 20 30 CDEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NC[C@H]2CCC[NH+]2CC)C1 ZINC000303873644 935045976 /nfs/dbraw/zinc/04/59/76/935045976.db2.gz GVEWPMRVVFLQNX-HUUCEWRRSA-N 3 0 295.475 1.107 20 30 CDEDRP CC(C)NC(=[NH2+])NCc1ccccc1OCC[NH+](C)C ZINC000303864541 935046206 /nfs/dbraw/zinc/04/62/06/935046206.db2.gz BAGPZWLFRIFPSW-UHFFFAOYSA-N 2 0 278.400 1.440 20 30 CDEDRP C[C@@H](CNC(=[NH2+])NCCc1ccccc1)[N@H+](C)C1CC1 ZINC000303976045 935049512 /nfs/dbraw/zinc/04/95/12/935049512.db2.gz JSRWLTHMALDOOL-ZDUSSCGKSA-N 2 0 274.412 1.616 20 30 CDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](OC)C(C)(C)C ZINC000304706544 935086310 /nfs/dbraw/zinc/08/63/10/935086310.db2.gz KWYPKWOCVBODFK-CHWSQXEVSA-N 2 0 284.448 1.436 20 30 CDEDRP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038663245 935188324 /nfs/dbraw/zinc/18/83/24/935188324.db2.gz NMQCMBITFPIQNM-OAHLLOKOSA-N 2 0 279.428 1.485 20 30 CDEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=[NH2+])N(C)C2CC2)C1 ZINC000305804189 935217665 /nfs/dbraw/zinc/21/76/65/935217665.db2.gz FTQOLLRHBJLLAS-BETUJISGSA-N 2 0 266.433 1.763 20 30 CDEDRP C[C@@H](CNC(=[NH2+])N(C)C1CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000305807909 935218311 /nfs/dbraw/zinc/21/83/11/935218311.db2.gz HJSIEGRVWZAYIO-NEPJUHHUSA-N 2 0 252.406 1.516 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CC ZINC001037980199 935323572 /nfs/dbraw/zinc/32/35/72/935323572.db2.gz XBUXYLLBAYVXFA-JKSUJKDBSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001007369895 935379346 /nfs/dbraw/zinc/37/93/46/935379346.db2.gz UBZCIAGXBGAOON-HRCADAONSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001008533134 935404739 /nfs/dbraw/zinc/40/47/39/935404739.db2.gz QYYDYOFJGONRDA-KGLIPLIRSA-N 2 0 265.401 1.237 20 30 CDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC=C)C2)CC1 ZINC001009628596 935428933 /nfs/dbraw/zinc/42/89/33/935428933.db2.gz QEUAMLVIWYPNQA-MRXNPFEDSA-N 2 0 289.423 1.098 20 30 CDEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015707381 935580975 /nfs/dbraw/zinc/58/09/75/935580975.db2.gz PWBKRTJFUZKACT-HNNXBMFYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001018628640 935676764 /nfs/dbraw/zinc/67/67/64/935676764.db2.gz NWPKQCOBRJKOSC-RYUDHWBXSA-N 2 0 271.792 1.024 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001019076174 935692052 /nfs/dbraw/zinc/69/20/52/935692052.db2.gz PAQMSMRFQVFHBX-JKSUJKDBSA-N 2 0 293.455 1.873 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001019151096 935694295 /nfs/dbraw/zinc/69/42/95/935694295.db2.gz IKESILQAEIJCBO-ZDUSSCGKSA-N 2 0 270.336 1.324 20 30 CDEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001019386701 935703618 /nfs/dbraw/zinc/70/36/18/935703618.db2.gz TZVUMDCUNJYOOX-AWEZNQCLSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001019630581 935710857 /nfs/dbraw/zinc/71/08/57/935710857.db2.gz BLUNLFHTWWYHEX-INIZCTEOSA-N 2 0 291.439 1.485 20 30 CDEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001020288885 935733741 /nfs/dbraw/zinc/73/37/41/935733741.db2.gz MKWLBJHKJVWXTK-FPCVCCKLSA-N 2 0 291.439 1.816 20 30 CDEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001042092905 935812357 /nfs/dbraw/zinc/81/23/57/935812357.db2.gz KVJAJXGEBWLFME-HUUCEWRRSA-N 2 0 291.439 1.580 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001044657926 935867590 /nfs/dbraw/zinc/86/75/90/935867590.db2.gz JJVRBAMTRPHWMB-UKRRQHHQSA-N 2 0 296.374 1.550 20 30 CDEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001045444454 935885016 /nfs/dbraw/zinc/88/50/16/935885016.db2.gz BNOHCWFUJYRMFO-HUUCEWRRSA-N 2 0 293.455 1.873 20 30 CDEDRP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001046569868 935960262 /nfs/dbraw/zinc/96/02/62/935960262.db2.gz PFKCGMTYIZLPNM-ZOBUZTSGSA-N 2 0 293.455 1.873 20 30 CDEDRP C#CC[N@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046707276 935967931 /nfs/dbraw/zinc/96/79/31/935967931.db2.gz QMTNFMWREMDCSR-SFHVURJKSA-N 2 0 299.418 1.576 20 30 CDEDRP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001046832558 935976875 /nfs/dbraw/zinc/97/68/75/935976875.db2.gz XSHDEBVMNCSOHF-ZBFHGGJFSA-N 2 0 279.428 1.485 20 30 CDEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCO[C@H](C)C#N)[C@@H](C)C1 ZINC000801943177 936017893 /nfs/dbraw/zinc/01/78/93/936017893.db2.gz MNWSLDXNQDHARJ-XHSDSOJGSA-N 2 0 297.443 1.642 20 30 CDEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001096355653 936050214 /nfs/dbraw/zinc/05/02/14/936050214.db2.gz AABIWLYOENWBBD-ILXRZTDVSA-N 2 0 289.423 1.380 20 30 CDEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049060314 936106176 /nfs/dbraw/zinc/10/61/76/936106176.db2.gz RLRQKXVBWGOTJX-JONQDZQNSA-N 2 0 291.439 1.150 20 30 CDEDRP C=C(C)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001049641129 936165482 /nfs/dbraw/zinc/16/54/82/936165482.db2.gz LAHRALNVZIYPSE-HRCADAONSA-N 2 0 291.439 1.722 20 30 CDEDRP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001049646190 936166577 /nfs/dbraw/zinc/16/65/77/936166577.db2.gz NNDNGDAYDPUCKS-HRCADAONSA-N 2 0 289.423 1.169 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])C[C@H](C)CC)CC1 ZINC001121998376 937897977 /nfs/dbraw/zinc/89/79/77/937897977.db2.gz XLHMCOJRBCWJHH-TZMCWYRMSA-N 2 0 267.417 1.517 20 30 CDEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156889621 938429705 /nfs/dbraw/zinc/42/97/05/938429705.db2.gz AIXULGVPTRECOE-CABCVRRESA-N 2 0 281.444 1.731 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157887436 938557767 /nfs/dbraw/zinc/55/77/67/938557767.db2.gz VOBZPJOJSGODQC-AWEZNQCLSA-N 2 0 267.417 1.531 20 30 CDEDRP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001158123787 938585613 /nfs/dbraw/zinc/58/56/13/938585613.db2.gz CDJYLWAQYQOBKA-HZPDHXFCSA-N 2 0 293.455 1.663 20 30 CDEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158196316 938593222 /nfs/dbraw/zinc/59/32/22/938593222.db2.gz LGTGKLMMRXDCPU-AWEZNQCLSA-N 2 0 265.401 1.000 20 30 CDEDRP C#C[C@](C)([NH3+])C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161429644 938903099 /nfs/dbraw/zinc/90/30/99/938903099.db2.gz XJFGEJRVURYGJO-KRWDZBQOSA-N 2 0 285.391 1.118 20 30 CDEDRP C[NH+](C)Cc1ccnc(NC2(C#N)CC[NH+](C)CC2)c1 ZINC001162231670 938966575 /nfs/dbraw/zinc/96/65/75/938966575.db2.gz YBSKQIKTZXZSAJ-UHFFFAOYSA-N 2 0 273.384 1.543 20 30 CDEDRP Cc1nc(NCCC[NH2+]CCCC[NH3+])ccc1CC#N ZINC001162294130 938972530 /nfs/dbraw/zinc/97/25/30/938972530.db2.gz AQMFOXKZBFVVSG-UHFFFAOYSA-N 2 0 275.400 1.587 20 30 CDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(C#N)cc(Cl)n1 ZINC001163122111 939204240 /nfs/dbraw/zinc/20/42/40/939204240.db2.gz BNSZRSDWLAEHGH-UHFFFAOYSA-N 2 0 294.790 1.885 20 30 CDEDRP C#CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164491906 939478827 /nfs/dbraw/zinc/47/88/27/939478827.db2.gz PPLGFQJEDZGVOF-MRXNPFEDSA-N 2 0 291.439 1.513 20 30 CDEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203698829 939700734 /nfs/dbraw/zinc/70/07/34/939700734.db2.gz BSBPKDXZKBINBJ-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1C#N ZINC001204370592 939760862 /nfs/dbraw/zinc/76/08/62/939760862.db2.gz DUSHQXATKYIPDM-ZWKOTPCHSA-N 2 0 298.434 1.768 20 30 CDEDRP N#CCOc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001205219780 939837234 /nfs/dbraw/zinc/83/72/34/939837234.db2.gz HQNPAFRWLILURW-MRXNPFEDSA-N 2 0 289.379 1.265 20 30 CDEDRP C=CCc1cccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1O ZINC001205221187 939837785 /nfs/dbraw/zinc/83/77/85/939837785.db2.gz QTNOGBNMVHFONY-KRWDZBQOSA-N 2 0 290.407 1.796 20 30 CDEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001205461860 939890736 /nfs/dbraw/zinc/89/07/36/939890736.db2.gz QECQSPMTOJAROA-OAHLLOKOSA-N 2 0 279.428 1.341 20 30 CDEDRP C[C@@H]1CC[N@H+](Cc2ccc(C#N)nc2)CC[C@H]1C[NH3+] ZINC001205626534 939910388 /nfs/dbraw/zinc/91/03/88/939910388.db2.gz GZZBPGTTZDWTSG-OCCSQVGLSA-N 2 0 258.369 1.760 20 30 CDEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207437279 940195652 /nfs/dbraw/zinc/19/56/52/940195652.db2.gz SBOONIBJBUXWSI-DLBZAZTESA-N 2 0 294.439 1.812 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001208414496 940330604 /nfs/dbraw/zinc/33/06/04/940330604.db2.gz RFBATQGOTQOROV-HUUCEWRRSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208699766 940371837 /nfs/dbraw/zinc/37/18/37/940371837.db2.gz SNNWMZXKGIHFKA-MCIONIFRSA-N 2 0 267.417 1.339 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209407843 940585318 /nfs/dbraw/zinc/58/53/18/940585318.db2.gz GGOUSABDKDRMHS-HNNXBMFYSA-N 2 0 279.428 1.485 20 30 CDEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001209632975 940620493 /nfs/dbraw/zinc/62/04/93/940620493.db2.gz QNAPSSDQAZAOOC-GJZGRUSLSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329982 940684145 /nfs/dbraw/zinc/68/41/45/940684145.db2.gz KLVYSDUNIVCRPU-HUUCEWRRSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214336031 940816996 /nfs/dbraw/zinc/81/69/96/940816996.db2.gz RGOZWVFJLJGVFK-MGPQQGTHSA-N 2 0 265.401 1.093 20 30 CDEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001215232311 940867133 /nfs/dbraw/zinc/86/71/33/940867133.db2.gz FQIBILSTRCOHLE-HUUCEWRRSA-N 2 0 291.439 1.321 20 30 CDEDRP C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000402353873 940895009 /nfs/dbraw/zinc/89/50/09/940895009.db2.gz SVGNZZSBIXAHEI-UHOFOFEASA-N 2 0 273.380 1.508 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216757741 940964925 /nfs/dbraw/zinc/96/49/25/940964925.db2.gz KRHPZKXCNRJAQW-HUUCEWRRSA-N 2 0 279.428 1.485 20 30 CDEDRP N#Cc1oc2ccccc2c1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218629136 941247677 /nfs/dbraw/zinc/24/76/77/941247677.db2.gz XQHLMNKCNPLQHF-NSHDSACASA-N 2 0 296.330 1.052 20 30 CDEDRP CCc1cc(NC(=O)[C@H]([NH3+])CCC[NH3+])cc(CC)c1C#N ZINC001219112515 941309633 /nfs/dbraw/zinc/30/96/33/941309633.db2.gz KEULZIVMCLEAHN-OAHLLOKOSA-N 2 0 288.395 1.688 20 30 CDEDRP CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221292935 941514047 /nfs/dbraw/zinc/51/40/47/941514047.db2.gz WNKJJXDYIBNVCM-ZFWWWQNUSA-N 2 0 292.427 1.305 20 30 CDEDRP C=C(C)C[NH+]1CCC(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001223457938 941679114 /nfs/dbraw/zinc/67/91/14/941679114.db2.gz UBDZMTUGABQTPW-UHFFFAOYSA-N 2 0 293.455 1.875 20 30 CDEDRP C=CCC[NH+]1CCC(CNC(=O)CCC[NH+](C)C)CC1 ZINC001224273236 941736400 /nfs/dbraw/zinc/73/64/00/941736400.db2.gz RFURFKOMGFJQCW-UHFFFAOYSA-N 2 0 281.444 1.733 20 30 CDEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001228342119 942302227 /nfs/dbraw/zinc/30/22/27/942302227.db2.gz SFXMNHYFPZBFGM-HZPDHXFCSA-N 2 0 293.455 1.921 20 30 CDEDRP CC#CC[NH+]1CCC(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001229214678 942434059 /nfs/dbraw/zinc/43/40/59/942434059.db2.gz JZRDRNVYFRPFGP-UHFFFAOYSA-N 2 0 293.455 1.568 20 30 CDEDRP C#CCC[NH+]1CCC(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001230107670 942584684 /nfs/dbraw/zinc/58/46/84/942584684.db2.gz SFANDODRYVJFLM-UHFFFAOYSA-N 2 0 279.428 1.322 20 30 CDEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001230141209 942586079 /nfs/dbraw/zinc/58/60/79/942586079.db2.gz AFLSCDLEWWBUBK-BZUAXINKSA-N 2 0 293.455 1.921 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](C(C)C)CC1 ZINC001263111186 943751665 /nfs/dbraw/zinc/75/16/65/943751665.db2.gz VBENSUUWHDKLJF-AWEZNQCLSA-N 2 0 267.417 1.659 20 30 CDEDRP CN(C)C(=O)CN1CC[C@]2(C1)CCC[N@H+](CCCC#N)C2 ZINC001277943090 944148067 /nfs/dbraw/zinc/14/80/67/944148067.db2.gz MYOHUXHFAQQBAV-MRXNPFEDSA-N 2 0 292.427 1.166 20 30 CDEDRP C=CCN1CCC[C@H]1C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254507489 947470661 /nfs/dbraw/zinc/47/06/61/947470661.db2.gz CABHFYBNIRKOSN-GJZGRUSLSA-N 2 0 251.418 1.711 20 30 CDEDRP C=CCOC[C@H](O)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246020632 947900586 /nfs/dbraw/zinc/90/05/86/947900586.db2.gz JAGCIWORSUYJLB-ZIAGYGMSSA-N 2 0 256.390 1.001 20 30 CDEDRP N#CCC1CCC([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001246145011 947986556 /nfs/dbraw/zinc/98/65/56/947986556.db2.gz LITAGRAUCNAOAK-GPANFISMSA-N 2 0 290.455 1.923 20 30 CDEDRP C=CC[NH2+]Cc1nc2ccccc2n1[C@@H]1CC[NH2+]C1 ZINC001247047801 948581111 /nfs/dbraw/zinc/58/11/11/948581111.db2.gz DCWHTSUGMLZMBF-GFCCVEGCSA-N 2 0 256.353 1.846 20 30 CDEDRP C#CCOC[C@H](O)C[NH2+]CC[PH+](C(C)C)C(C)C ZINC001251902945 950941020 /nfs/dbraw/zinc/94/10/20/950941020.db2.gz BERCWYVTLREGOR-CQSZACIVSA-N 2 0 273.357 1.885 20 30 CDEDRP C=CCOC[C@@H](O)C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001252491153 951360404 /nfs/dbraw/zinc/36/04/04/951360404.db2.gz PBTCUMRIOYDMNX-KRWDZBQOSA-N 2 0 296.455 1.794 20 30 CDEDRP C=C[C@](C)(O)C[NH+]1CCN(c2cc(C)nc(C)n2)CC1 ZINC001252554038 951443664 /nfs/dbraw/zinc/44/36/64/951443664.db2.gz AIEMRDLDSUGKBU-HNNXBMFYSA-N 2 0 276.384 1.152 20 30 CDEDRP CC[NH+](CC)C[C@H](O)C[NH2+]C12CCC(C#N)(CC1)CC2 ZINC001253208880 951809435 /nfs/dbraw/zinc/80/94/35/951809435.db2.gz UJAZQOCSHQISHG-QQFBHYJXSA-N 2 0 279.428 1.895 20 30 CDEDRP C=CCOCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001494861459 972324828 /nfs/dbraw/zinc/32/48/28/972324828.db2.gz BOBKRDYTSBQRJQ-GJZGRUSLSA-N 2 0 297.443 1.062 20 30 CDEDRP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001495208189 972437086 /nfs/dbraw/zinc/43/70/86/972437086.db2.gz BQPYMDOABYKAMD-CYBMUJFWSA-N 2 0 299.846 1.709 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H](CC)[NH+](C)C ZINC001419269392 961568430 /nfs/dbraw/zinc/56/84/30/961568430.db2.gz VAQJRSPSDAGMFZ-NEPJUHHUSA-N 2 0 275.824 1.564 20 30 CDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC001340805810 963133622 /nfs/dbraw/zinc/13/36/22/963133622.db2.gz AVYXULYSABPHOC-KGLIPLIRSA-N 2 0 267.417 1.661 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001438670417 963510671 /nfs/dbraw/zinc/51/06/71/963510671.db2.gz AQWBRWXFGVYWGQ-LBPRGKRZSA-N 2 0 275.824 1.517 20 30 CDEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001200606407 968563376 /nfs/dbraw/zinc/56/33/76/968563376.db2.gz NMSKFINGNRMRIZ-INIZCTEOSA-N 2 0 291.439 1.485 20 30 CDEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001100730753 969031457 /nfs/dbraw/zinc/03/14/57/969031457.db2.gz NWOKBNMHUGFREQ-FHERZECASA-N 2 0 293.455 1.921 20 30 CDEDRP C=C(C)CNC(=[NH2+])NCCOCC[NH+](CC)CC ZINC000849018412 969407047 /nfs/dbraw/zinc/40/70/47/969407047.db2.gz SDHAEVVIJSYVQB-UHFFFAOYSA-N 2 0 256.394 1.035 20 30 CDEDRP C#Cc1cccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)c1 ZINC000849037970 969422862 /nfs/dbraw/zinc/42/28/62/969422862.db2.gz DJIQRRKHRZDSFM-MRXNPFEDSA-N 2 0 284.407 1.766 20 30 CDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001358259674 969714419 /nfs/dbraw/zinc/71/44/19/969714419.db2.gz RDQRKXWVRKKCDY-HZSPNIEDSA-N 2 0 269.433 1.870 20 30 CDEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001400837683 977217765 /nfs/dbraw/zinc/21/77/65/977217765.db2.gz YUXKWKJMOSIDIW-VXGBXAGGSA-N 2 0 273.808 1.318 20 30 CDEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001393523259 977818084 /nfs/dbraw/zinc/81/80/84/977818084.db2.gz HAWLFPDWTLQYCA-ZIAGYGMSSA-N 2 0 299.846 1.804 20 30 CDEDRP CC#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132411192 1163279579 /nfs/dbraw/zinc/27/95/79/1163279579.db2.gz VRBYGHGNGRKQFM-CABCVRRESA-N 2 0 279.428 1.321 20 30 CDEDRP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001132435368 1163290493 /nfs/dbraw/zinc/29/04/93/1163290493.db2.gz CEUCKLGWJIROMB-KBPBESRZSA-N 2 0 267.417 1.483 20 30 CDEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132888920 1163501777 /nfs/dbraw/zinc/50/17/77/1163501777.db2.gz SUPDNDDQNOZXIO-GJZGRUSLSA-N 2 0 291.439 1.178 20 30 CDEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132893815 1163503598 /nfs/dbraw/zinc/50/35/98/1163503598.db2.gz ZYNNKTORQPYCLD-KBPBESRZSA-N 2 0 267.417 1.389 20 30 CDEDRP C=C(CC[NH+](C)C)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC001574849295 1171026691 /nfs/dbraw/zinc/02/66/91/1171026691.db2.gz MDBGPRFNVKLKCC-CYBMUJFWSA-N 2 0 255.406 1.326 20 30 CDEDRP C=CC1(CC(=O)NCC[N@@H+](CC)CCC)C[NH2+]C1 ZINC001574879934 1171034404 /nfs/dbraw/zinc/03/44/04/1171034404.db2.gz LUIQTGLTBBHCPS-UHFFFAOYSA-N 2 0 253.390 1.000 20 30 CDEDRP C=CC[C@H](CO)C[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC001574888432 1171036924 /nfs/dbraw/zinc/03/69/24/1171036924.db2.gz DNPAKXKXKLTIPR-NSHDSACASA-N 2 0 266.410 1.668 20 30 CDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](C)[NH+](C)C)C(C)C ZINC000635559754 361981182 /nfs/dbraw/zinc/98/11/82/361981182.db2.gz IGGGVNHHAIZESM-HUUCEWRRSA-N 2 0 281.444 1.751 20 30 CDEDRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1(C)C ZINC000442869148 362098808 /nfs/dbraw/zinc/09/88/08/362098808.db2.gz IKFBLPRXSZXVDN-HUUCEWRRSA-N 2 0 278.444 1.684 20 30 CDEDRP N#C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000442784059 362091340 /nfs/dbraw/zinc/09/13/40/362091340.db2.gz SHKDPPZLVAVNBJ-QLFBSQMISA-N 2 0 265.401 1.505 20 30 CDEDRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000090106749 342395520 /nfs/dbraw/zinc/39/55/20/342395520.db2.gz MQVMZLHNEVSGSG-CJNGLKHVSA-N 2 0 273.380 1.867 20 30 CDEDRP C[NH+](C)CC1(C[NH2+]C[C@@H](O)CC(C)(C)C#N)CCCC1 ZINC000598722821 343884805 /nfs/dbraw/zinc/88/48/05/343884805.db2.gz BKCUPJPJZCAMDF-AWEZNQCLSA-N 2 0 281.444 1.999 20 30 CDEDRP CC(C)(O)C[NH+]1CCC([NH2+]CC2(CC#N)CC2)CC1 ZINC000602642393 344512397 /nfs/dbraw/zinc/51/23/97/344512397.db2.gz LMDWICRANZCQLX-UHFFFAOYSA-N 2 0 265.401 1.505 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612972176 347349632 /nfs/dbraw/zinc/34/96/32/347349632.db2.gz YXGPMTPRSNACPC-CQSZACIVSA-N 2 0 292.427 1.078 20 30 CDEDRP CNC(=[NH2+])NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000066245849 347479293 /nfs/dbraw/zinc/47/92/93/347479293.db2.gz OLBRVPJWXJYJGP-UHFFFAOYSA-N 2 0 274.412 1.953 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000491663450 347585925 /nfs/dbraw/zinc/58/59/25/347585925.db2.gz MVWAJXNHJFYCDA-MRXNPFEDSA-N 2 0 293.455 1.568 20 30 CDEDRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cccc(C#N)n2)C1 ZINC000602666192 350138518 /nfs/dbraw/zinc/13/85/18/350138518.db2.gz MSJQZKCABPRSND-BBRMVZONSA-N 2 0 270.380 1.869 20 30 CDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(O)c1 ZINC000264079363 362960203 /nfs/dbraw/zinc/96/02/03/362960203.db2.gz IFDZDILQWXVMEC-ZDUSSCGKSA-N 2 0 276.384 1.281 20 30 CDEDRP C=CCOCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000348043378 359794011 /nfs/dbraw/zinc/79/40/11/359794011.db2.gz GVMFCLWQFPEHQC-DLBZAZTESA-N 2 0 295.471 1.537 20 30 CDEDRP CN(CCC#N)C(=O)CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092797670 360285810 /nfs/dbraw/zinc/28/58/10/360285810.db2.gz ZONLCKAJUAWZJE-CQSZACIVSA-N 2 0 280.416 1.022 20 30 CDEDRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000429682965 360867387 /nfs/dbraw/zinc/86/73/87/360867387.db2.gz HVOPAQRTRMGKLX-GJZGRUSLSA-N 2 0 264.417 1.248 20 30 CDEDRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000429682962 360867635 /nfs/dbraw/zinc/86/76/35/360867635.db2.gz HVOPAQRTRMGKLX-CABCVRRESA-N 2 0 264.417 1.248 20 30 CDEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431032494 360972704 /nfs/dbraw/zinc/97/27/04/360972704.db2.gz JQAUKBCPYBJJIO-UHFFFAOYSA-N 2 0 277.412 1.263 20 30 CDEDRP COc1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])ccc1C#N ZINC000414800106 241394598 /nfs/dbraw/zinc/39/45/98/241394598.db2.gz KSFFKFMCQAWGJA-GXTWGEPZSA-N 2 0 259.353 1.784 20 30 CDEDRP C[NH+]1CCC(O)(C[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000330664402 203092419 /nfs/dbraw/zinc/09/24/19/203092419.db2.gz FZKUJPJRBLWNFB-UHFFFAOYSA-N 2 0 265.382 1.166 20 30 CDEDRP N#CCC[C@H](C#N)C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000582421095 370617695 /nfs/dbraw/zinc/61/76/95/370617695.db2.gz WNIFMGJKNJYGDI-HUUCEWRRSA-N 2 0 278.400 1.256 20 30 CDEDRP C=CCC[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000342741887 374428619 /nfs/dbraw/zinc/42/86/19/374428619.db2.gz YUZSTLDBJGPDSL-UHFFFAOYSA-N 2 0 267.417 1.483 20 30 CDEDRP C=CC[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(OC)cc1 ZINC000420296402 376323283 /nfs/dbraw/zinc/32/32/83/376323283.db2.gz BTPWFULBXDJXLL-UHFFFAOYSA-N 2 0 289.423 1.588 20 30 CDEDRP C[C@@H](CCNC1=[NH+]C[C@@H](C)N1)[N@H+](C)Cc1ccccc1 ZINC000285041653 377738931 /nfs/dbraw/zinc/73/89/31/377738931.db2.gz KOABOAUQECMVDU-KGLIPLIRSA-N 2 0 274.412 1.834 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000343760276 378958968 /nfs/dbraw/zinc/95/89/68/378958968.db2.gz AGDUEYKKFBFMHR-DZGCQCFKSA-N 2 0 294.443 1.419 20 30 CDEDRP COC[C@H](C)NC(=[NH2+])NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000267430367 391194276 /nfs/dbraw/zinc/19/42/76/391194276.db2.gz MKQLENWRUUFBQE-NSHDSACASA-N 2 0 296.390 1.327 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000192529498 391721992 /nfs/dbraw/zinc/72/19/92/391721992.db2.gz KCXNXJSEFQSGSS-QGZVFWFLSA-N 2 0 287.407 1.627 20 30 CDEDRP C[C@@H]1C[NH+]=C(NC[C@H](c2ccccc2)[NH+]2CCCC2)N1 ZINC000262683662 391812674 /nfs/dbraw/zinc/81/26/74/391812674.db2.gz XKJRFDICIKEKOR-UKRRQHHQSA-N 2 0 272.396 1.761 20 30 CDEDRP C[C@@H](C[NH3+])C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423306846 392960179 /nfs/dbraw/zinc/96/01/79/392960179.db2.gz MDELLVCCEYZCDU-AWEZNQCLSA-N 2 0 286.423 1.707 20 30 CDEDRP C[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000249855918 261258824 /nfs/dbraw/zinc/25/88/24/261258824.db2.gz DDBMWWNWCPSALE-MGPQQGTHSA-N 2 0 282.432 1.190 20 30 CDEDRP C[NH+]1CCC(O)(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000329508328 328561968 /nfs/dbraw/zinc/56/19/68/328561968.db2.gz JGYFPLSIWRMEKB-AWEZNQCLSA-N 2 0 295.427 1.274 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000171714449 329078932 /nfs/dbraw/zinc/07/89/32/329078932.db2.gz ZUHJALBWONAHRY-OAHLLOKOSA-N 2 0 279.428 1.627 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)[C@@]2(CC)CCC[NH2+]2)CC1 ZINC000134596513 329659802 /nfs/dbraw/zinc/65/98/02/329659802.db2.gz ILRVJADZJVUDIE-OAHLLOKOSA-N 2 0 265.401 1.285 20 30 CDEDRP CC(C)C[N@@H+]1CCC[C@H](CNC2=[NH+]CCN2C)C1 ZINC000262676475 330026066 /nfs/dbraw/zinc/02/60/66/330026066.db2.gz UBMFDPJLNBOTHI-CYBMUJFWSA-N 2 0 252.406 1.245 20 30 CDEDRP C[NH+]=C(NCC1(O)CCCC1)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000262810390 330033245 /nfs/dbraw/zinc/03/32/45/330033245.db2.gz UYEMGXWXJKEXJW-QWHCGFSZSA-N 2 0 294.443 1.082 20 30 CDEDRP [NH2+]=C(NCCN1CCC1)Nc1ccc2c(c1)CCC2 ZINC000262809672 330033338 /nfs/dbraw/zinc/03/33/38/330033338.db2.gz UUUCDWJPDABYTJ-UHFFFAOYSA-N 2 0 258.369 1.608 20 30 CDEDRP C=CCN1CCC([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422857958 330157938 /nfs/dbraw/zinc/15/79/38/330157938.db2.gz HUWMJQXIQMDZGK-DZGCQCFKSA-N 2 0 251.418 1.615 20 30 CDEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000424127367 330259298 /nfs/dbraw/zinc/25/92/98/330259298.db2.gz CREABCHCSWUOMO-HNNXBMFYSA-N 2 0 292.427 1.342 20 30 CDEDRP C[C@@H]1CCC[C@](CNC(=O)[C@@H]([NH3+])CCCC#N)([NH+](C)C)C1 ZINC000424164195 330308201 /nfs/dbraw/zinc/30/82/01/330308201.db2.gz YMADJSPKQRKGNG-YCPHGPKFSA-N 2 0 294.443 1.634 20 30 CDEDRP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000491252163 332174245 /nfs/dbraw/zinc/17/42/45/332174245.db2.gz FXNRSYWCZKGONI-UHFFFAOYSA-N 2 0 294.443 1.114 20 30 CDEDRP C#CCNC(=O)CC[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000491753898 332329174 /nfs/dbraw/zinc/32/91/74/332329174.db2.gz QJQHSMSHEAPYCA-UHFFFAOYSA-N 2 0 287.407 1.238 20 30 CDEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000249049887 334325792 /nfs/dbraw/zinc/32/57/92/334325792.db2.gz XGAHMHVFXOUYBM-KFWWJZLASA-N 2 0 264.417 1.294 20 30 CDEDRP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001024365837 1159400038 /nfs/dbraw/zinc/40/00/38/1159400038.db2.gz ITBWWQUAPWDRJB-LSDHHAIUSA-N 2 0 279.428 1.627 20 30 CDEDRP C#CC[NH+]1CCC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001755024929 1159504935 /nfs/dbraw/zinc/50/49/35/1159504935.db2.gz LLIRYCZVXSFOHR-JKSUJKDBSA-N 2 0 291.439 1.465 20 30 CDEDRP C[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)[NH+]1CCC(C)CC1 ZINC000261699443 1159943910 /nfs/dbraw/zinc/94/39/10/1159943910.db2.gz CHKNUOQBRJVRBD-ZIAGYGMSSA-N 2 0 282.432 1.190 20 30 CDEDRP C#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1CC ZINC001087640263 1160256208 /nfs/dbraw/zinc/25/62/08/1160256208.db2.gz SHLFFCYRHAOWRP-LSDHHAIUSA-N 2 0 289.423 1.217 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]([NH3+])[C@@H](CC)C2)CC1 ZINC000669465242 483172927 /nfs/dbraw/zinc/17/29/27/483172927.db2.gz DGRGJIQKJSGHGU-DZGCQCFKSA-N 2 0 294.443 1.406 20 30 CDEDRP C=CCN1CC[C@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001272870200 1161424788 /nfs/dbraw/zinc/42/47/88/1161424788.db2.gz KEWXYCSKKWNVGS-KRWDZBQOSA-N 2 0 293.455 1.685 20 30 CDEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C1 ZINC001755415105 1185946204 /nfs/dbraw/zinc/94/62/04/1185946204.db2.gz FOHHLPQYWZCYHY-CQSZACIVSA-N 2 0 279.428 1.178 20 30 CDEDRP CCCCCC[N@H+](C)CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000732270445 575085396 /nfs/dbraw/zinc/08/53/96/575085396.db2.gz DBURGCCMEARKLU-UHFFFAOYSA-N 2 0 294.443 1.603 20 30 CDEDRP C#CCCCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000760215575 576466850 /nfs/dbraw/zinc/46/68/50/576466850.db2.gz HTNUAGLMPREESR-INIZCTEOSA-N 2 0 293.455 1.664 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001690049436 1175359385 /nfs/dbraw/zinc/35/93/85/1175359385.db2.gz SCPBJJQUJXAPDL-HNNXBMFYSA-N 2 0 281.444 1.875 20 30 CDEDRP C#CC[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000963912993 612955440 /nfs/dbraw/zinc/95/54/40/612955440.db2.gz SEUDBYIMUGFDCM-QQFBHYJXSA-N 2 0 291.439 1.463 20 30 CDEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000968825069 612968118 /nfs/dbraw/zinc/96/81/18/612968118.db2.gz RCCNVSCSZAKEFC-CYBMUJFWSA-N 2 0 291.420 1.247 20 30 CDEDRP C#CCC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000981899188 613003747 /nfs/dbraw/zinc/00/37/47/613003747.db2.gz XMIMCWQNNDFALE-OAHLLOKOSA-N 2 0 279.428 1.130 20 30 CDEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942597715 613327120 /nfs/dbraw/zinc/32/71/20/613327120.db2.gz MMYLXELIVZUQRJ-GOEBONIOSA-N 2 0 293.455 1.731 20 30 CDEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000968728811 613348684 /nfs/dbraw/zinc/34/86/84/613348684.db2.gz YQSBWOCZMNDWJQ-MGPQQGTHSA-N 2 0 265.401 1.093 20 30 CDEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000969832857 613669881 /nfs/dbraw/zinc/66/98/81/613669881.db2.gz JXIBWALWJVWDQP-GJZGRUSLSA-N 2 0 293.455 1.587 20 30 CDEDRP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3CC)[C@@H]2C1 ZINC000979078575 613834923 /nfs/dbraw/zinc/83/49/23/613834923.db2.gz OHVAABVPRXYVSW-LVQVYYBASA-N 2 0 291.439 1.341 20 30 CDEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC000960519941 613837068 /nfs/dbraw/zinc/83/70/68/613837068.db2.gz NKSXMEQOZBEARF-FICVDOATSA-N 2 0 289.423 1.095 20 30 CDEDRP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000964379366 613859625 /nfs/dbraw/zinc/85/96/25/613859625.db2.gz ZBBVXZZGILFNRF-NFOMZHRRSA-N 2 0 279.428 1.483 20 30 CDEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000969741617 613868213 /nfs/dbraw/zinc/86/82/13/613868213.db2.gz PMMYVTUERCKQCH-CYBMUJFWSA-N 2 0 277.368 1.331 20 30 CDEDRP C=CC[NH+]1CCC(NC(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000891521506 617459997 /nfs/dbraw/zinc/45/99/97/617459997.db2.gz HTZNSLYJPTVSOD-AWEZNQCLSA-N 2 0 294.443 1.550 20 30 CDEDRP C[NH+](C)CC#CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000913519412 630524324 /nfs/dbraw/zinc/52/43/24/630524324.db2.gz YPYCVBQNZGQAAC-HNNXBMFYSA-N 2 0 291.439 1.322 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947362 1162511386 /nfs/dbraw/zinc/51/13/86/1162511386.db2.gz WWCFWVGNGANVSB-ZDUSSCGKSA-N 2 0 255.406 1.245 20 30 CDEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130186501 1162566043 /nfs/dbraw/zinc/56/60/43/1162566043.db2.gz HQADVGKEMFZSMS-KBPBESRZSA-N 2 0 265.401 1.285 20 30 CDEDRP CC[C@H](C(=O)NCC[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001130197038 1162568421 /nfs/dbraw/zinc/56/84/21/1162568421.db2.gz BOTNWWXSDDHYKZ-CYBMUJFWSA-N 2 0 294.424 1.166 20 30 CDEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001130297809 1162597362 /nfs/dbraw/zinc/59/73/62/1162597362.db2.gz SJZJYNNAPYRQEI-QGZVFWFLSA-N 2 0 299.418 1.228 20 30 CDEDRP C#C[C@@H](CC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809686359 1163071160 /nfs/dbraw/zinc/07/11/60/1163071160.db2.gz NSBUBAUEAPAZBX-INIZCTEOSA-N 2 0 271.408 1.940 20 30 CDEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087908556 1160284339 /nfs/dbraw/zinc/28/43/39/1160284339.db2.gz GCRYNILABPDYRV-PMPSAXMXSA-N 2 0 291.439 1.437 20 30 CDEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001076241594 1160769797 /nfs/dbraw/zinc/76/97/97/1160769797.db2.gz UWRGKFAVUHSGAP-OWCLPIDISA-N 2 0 291.439 1.580 20 30 CDEDRP C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH2+]CC1 ZINC001273030633 1161484034 /nfs/dbraw/zinc/48/40/34/1161484034.db2.gz OMPNQMAAAKQTJT-QGZVFWFLSA-N 2 0 289.423 1.076 20 30 CDEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128779756 1161508580 /nfs/dbraw/zinc/50/85/80/1161508580.db2.gz XPPLBSXPJWCAEV-GJZGRUSLSA-N 2 0 281.444 1.921 20 30 CDEDRP C=CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132273232 1163224599 /nfs/dbraw/zinc/22/45/99/1163224599.db2.gz FGBPGYACIDDCMS-QWHCGFSZSA-N 2 0 253.390 1.093 20 30 CDEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886203 1163501904 /nfs/dbraw/zinc/50/19/04/1163501904.db2.gz FSCLZYXLMRYBQC-KBPBESRZSA-N 2 0 267.417 1.389 20 30 CDEDRP CC(C)[NH+]1CCC(CCNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000877200602 1165993619 /nfs/dbraw/zinc/99/36/19/1165993619.db2.gz MQOZWLBECFWLJX-HNNXBMFYSA-N 2 0 294.443 1.634 20 30 CDEDRP C=CC1(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C[NH2+]C1 ZINC001574881079 1171036435 /nfs/dbraw/zinc/03/64/35/1171036435.db2.gz ZJVFFLOEAQNPKP-INIZCTEOSA-N 2 0 299.418 1.543 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001665013108 1172931907 /nfs/dbraw/zinc/93/19/07/1172931907.db2.gz IUFQQTDHCNRVLG-CQSZACIVSA-N 2 0 279.428 1.485 20 30 CDEDRP CCCCCCCC[NH+]1CCNCC[NH2+]CCNCC1 ZINC000138238049 1176982605 /nfs/dbraw/zinc/98/26/05/1176982605.db2.gz MSOPLDFDSDMYPO-UHFFFAOYSA-N 2 0 284.492 1.431 20 30 CDEDRP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001714236624 1179037863 /nfs/dbraw/zinc/03/78/63/1179037863.db2.gz UWJWWZDVCAJCGI-HOTGVXAUSA-N 2 0 293.455 1.568 20 30 CDEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001717201986 1180570094 /nfs/dbraw/zinc/57/00/94/1180570094.db2.gz MGEWOWADXHNESQ-LSDHHAIUSA-N 2 0 281.444 1.873 20 30 CDEDRP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001734329171 1183734925 /nfs/dbraw/zinc/73/49/25/1183734925.db2.gz CLMVMSRXDQZDSQ-KBPBESRZSA-N 2 0 269.433 1.585 20 30 CDEDRP C=CCC[N@H+]1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001752786431 1184914302 /nfs/dbraw/zinc/91/43/02/1184914302.db2.gz RYYYISWPNIYJPB-HNNXBMFYSA-N 2 0 281.444 1.733 20 30 CDEDRP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001753739003 1185323410 /nfs/dbraw/zinc/32/34/10/1185323410.db2.gz UQLPIWXDAREGBY-CQSZACIVSA-N 2 0 279.428 1.082 20 30 CDEDRP C=CC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001753844333 1185355027 /nfs/dbraw/zinc/35/50/27/1185355027.db2.gz ZUMBYJFHHFQICU-KBPBESRZSA-N 2 0 267.417 1.245 20 30 CDEDRP C#CC[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001754010211 1185425665 /nfs/dbraw/zinc/42/56/65/1185425665.db2.gz VADYVRXZTBAWPI-AWEZNQCLSA-N 2 0 279.428 1.224 20 30 CDEDRP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001754348034 1185591507 /nfs/dbraw/zinc/59/15/07/1185591507.db2.gz DKTMXVONYLOGKJ-LSDHHAIUSA-N 2 0 291.439 1.226 20 30 CDEDRP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001755478800 1185964001 /nfs/dbraw/zinc/96/40/01/1185964001.db2.gz QBASVLMFVWVHIT-HDJSIYSDSA-N 2 0 281.444 1.635 20 30 CDEDRP