smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCNC(=O)C[NH+]1CCN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000065171978 484678247 /nfs/dbraw/zinc/67/82/47/484678247.db2.gz FAPZELWIMVSSPZ-ULQDDVLXSA-N 2 2 354.495 -0.624 20 30 FBEDLP C[NH+]=C(NCCNS(C)(=O)=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000085504990 659981851 /nfs/dbraw/zinc/98/18/51/659981851.db2.gz GXQSUGFCOOCWAV-UHFFFAOYSA-N 2 2 354.480 -0.235 20 30 FBEDLP C[NH+]=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC1CC1 ZINC000103337897 661624081 /nfs/dbraw/zinc/62/40/81/661624081.db2.gz DEFQYKKGUYPLKQ-UHFFFAOYSA-N 2 2 366.491 -0.139 20 30 FBEDLP C[NH+]=C(NCCN1CCOCC1)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000104160763 657508455 /nfs/dbraw/zinc/50/84/55/657508455.db2.gz GCAIFVRHGVXMIT-QGZVFWFLSA-N 2 2 354.543 -0.244 20 30 FBEDLP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000104160768 657508111 /nfs/dbraw/zinc/50/81/11/657508111.db2.gz GCAIFVRHGVXMIT-KRWDZBQOSA-N 2 2 354.543 -0.244 20 30 FBEDLP CC(C)NC(=[NH2+])NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000104170873 661624395 /nfs/dbraw/zinc/62/43/95/661624395.db2.gz ZVUWIWLUPSJXFI-UHFFFAOYSA-N 2 2 354.480 -0.154 20 30 FBEDLP C=CCNC(=O)C[NH+]1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000122238237 485251889 /nfs/dbraw/zinc/25/18/89/485251889.db2.gz RQFSPWWEVNHIQV-UHFFFAOYSA-N 2 2 373.505 -0.352 20 30 FBEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000131897738 484663023 /nfs/dbraw/zinc/66/30/23/484663023.db2.gz JABDACJYPUKPCO-HNNXBMFYSA-N 2 2 352.504 -0.293 20 30 FBEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000131897738 484663017 /nfs/dbraw/zinc/66/30/17/484663017.db2.gz JABDACJYPUKPCO-HNNXBMFYSA-N 2 2 352.504 -0.293 20 30 FBEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCSCC2)CC1 ZINC000131897932 484663621 /nfs/dbraw/zinc/66/36/21/484663621.db2.gz JABDACJYPUKPCO-OAHLLOKOSA-N 2 2 352.504 -0.293 20 30 FBEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCSCC2)CC1 ZINC000131897932 484663617 /nfs/dbraw/zinc/66/36/17/484663617.db2.gz JABDACJYPUKPCO-OAHLLOKOSA-N 2 2 352.504 -0.293 20 30 FBEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@@H]2CCSC2)CC1 ZINC000155593180 657626165 /nfs/dbraw/zinc/62/61/65/657626165.db2.gz ZEGOTCLDOVUJPT-OAHLLOKOSA-N 2 2 352.504 -0.293 20 30 FBEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[NH+](C)[C@@H]2CCSC2)CC1 ZINC000155593180 657626159 /nfs/dbraw/zinc/62/61/59/657626159.db2.gz ZEGOTCLDOVUJPT-OAHLLOKOSA-N 2 2 352.504 -0.293 20 30 FBEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000155593180 657626154 /nfs/dbraw/zinc/62/61/54/657626154.db2.gz ZEGOTCLDOVUJPT-OAHLLOKOSA-N 2 2 352.504 -0.293 20 30 FBEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000155593180 657626142 /nfs/dbraw/zinc/62/61/42/657626142.db2.gz ZEGOTCLDOVUJPT-OAHLLOKOSA-N 2 2 352.504 -0.293 20 30 FBEDLP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000155833053 484212710 /nfs/dbraw/zinc/21/27/10/484212710.db2.gz DGSAUQJRHLZWBW-OAHLLOKOSA-N 2 2 363.466 -0.635 20 30 FBEDLP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000155833053 484212704 /nfs/dbraw/zinc/21/27/04/484212704.db2.gz DGSAUQJRHLZWBW-OAHLLOKOSA-N 2 2 363.466 -0.635 20 30 FBEDLP CC[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000155833169 484211935 /nfs/dbraw/zinc/21/19/35/484211935.db2.gz DGSAUQJRHLZWBW-HNNXBMFYSA-N 2 2 363.466 -0.635 20 30 FBEDLP CC[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000155833169 484211930 /nfs/dbraw/zinc/21/19/30/484211930.db2.gz DGSAUQJRHLZWBW-HNNXBMFYSA-N 2 2 363.466 -0.635 20 30 FBEDLP [NH2+]=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC1CC1 ZINC000161503667 836785640 /nfs/dbraw/zinc/78/56/40/836785640.db2.gz MRNGVYYSUDAHND-UHFFFAOYSA-N 2 2 352.464 -0.400 20 30 FBEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)CC2)o1 ZINC000193633921 243258561 /nfs/dbraw/zinc/25/85/61/243258561.db2.gz ZLWAVVOEBQRABZ-GASCZTMLSA-N 2 2 358.446 -0.003 20 30 FBEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)CC2)o1 ZINC000193633921 243258554 /nfs/dbraw/zinc/25/85/54/243258554.db2.gz ZLWAVVOEBQRABZ-GASCZTMLSA-N 2 2 358.446 -0.003 20 30 FBEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)CC2)o1 ZINC000193633921 243258547 /nfs/dbraw/zinc/25/85/47/243258547.db2.gz ZLWAVVOEBQRABZ-GASCZTMLSA-N 2 2 358.446 -0.003 20 30 FBEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)CC2)o1 ZINC000193633921 243258541 /nfs/dbraw/zinc/25/85/41/243258541.db2.gz ZLWAVVOEBQRABZ-GASCZTMLSA-N 2 2 358.446 -0.003 20 30 FBEDLP CC[NH+]=C(NCC[NH+]1CCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261664341 658911382 /nfs/dbraw/zinc/91/13/82/658911382.db2.gz BHBPLVFQAIQBPC-KRWDZBQOSA-N 2 2 350.467 -0.032 20 30 FBEDLP CC[NH+]=C(NCC[NH+]1CCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261664343 660119987 /nfs/dbraw/zinc/11/99/87/660119987.db2.gz BHBPLVFQAIQBPC-QGZVFWFLSA-N 2 2 350.467 -0.032 20 30 FBEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000261684906 658913741 /nfs/dbraw/zinc/91/37/41/658913741.db2.gz HZBFAHDLSJOFJF-DLBZAZTESA-N 2 2 352.527 -0.538 20 30 FBEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000261684906 658913736 /nfs/dbraw/zinc/91/37/36/658913736.db2.gz HZBFAHDLSJOFJF-DLBZAZTESA-N 2 2 352.527 -0.538 20 30 FBEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261684906 658913732 /nfs/dbraw/zinc/91/37/32/658913732.db2.gz HZBFAHDLSJOFJF-DLBZAZTESA-N 3 2 352.527 -0.538 20 30 FBEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261684906 658913727 /nfs/dbraw/zinc/91/37/27/658913727.db2.gz HZBFAHDLSJOFJF-DLBZAZTESA-N 3 2 352.527 -0.538 20 30 FBEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCN(C[C@H]2CCOC2)CC1 ZINC000261684910 658914281 /nfs/dbraw/zinc/91/42/81/658914281.db2.gz HZBFAHDLSJOFJF-IAGOWNOFSA-N 2 2 352.527 -0.538 20 30 FBEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCN(C[C@H]2CCOC2)CC1 ZINC000261684910 658914278 /nfs/dbraw/zinc/91/42/78/658914278.db2.gz HZBFAHDLSJOFJF-IAGOWNOFSA-N 2 2 352.527 -0.538 20 30 FBEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261684910 658914270 /nfs/dbraw/zinc/91/42/70/658914270.db2.gz HZBFAHDLSJOFJF-IAGOWNOFSA-N 3 2 352.527 -0.538 20 30 FBEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261684910 658914265 /nfs/dbraw/zinc/91/42/65/658914265.db2.gz HZBFAHDLSJOFJF-IAGOWNOFSA-N 3 2 352.527 -0.538 20 30 FBEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261730176 484283973 /nfs/dbraw/zinc/28/39/73/484283973.db2.gz LNJYMHPZZLFVEH-UHFFFAOYSA-N 2 2 365.507 -0.307 20 30 FBEDLP C[NH+]=C(NCC[NH+]1CCC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261750884 658928682 /nfs/dbraw/zinc/92/86/82/658928682.db2.gz LTSFBZDKIABXQC-UHFFFAOYSA-N 2 2 370.479 -0.597 20 30 FBEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261820552 484285376 /nfs/dbraw/zinc/28/53/76/484285376.db2.gz UIBLJRHTSLJQFG-UHFFFAOYSA-N 2 2 364.498 -0.557 20 30 FBEDLP C[NH+]=C(NC[C@@]1(O)CCSC1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261939223 658972210 /nfs/dbraw/zinc/97/22/10/658972210.db2.gz DFFYLKFRZCQSGJ-INIZCTEOSA-N 2 2 357.524 -0.474 20 30 FBEDLP C[NH+]=C(NC[C@]1(O)CCSC1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261939224 658972162 /nfs/dbraw/zinc/97/21/62/658972162.db2.gz DFFYLKFRZCQSGJ-MRXNPFEDSA-N 2 2 357.524 -0.474 20 30 FBEDLP C[NH+]=C(NCc1nnc(C)n1C)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261990035 658976907 /nfs/dbraw/zinc/97/69/07/658976907.db2.gz RBQUPABURLGFTE-UHFFFAOYSA-N 2 2 350.471 -0.705 20 30 FBEDLP C[NH+]=C(NCC[NH+]1CCC1)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000261991040 657484827 /nfs/dbraw/zinc/48/48/27/657484827.db2.gz RHGIYTOXZYTIRE-INIZCTEOSA-N 2 2 350.511 -0.104 20 30 FBEDLP C[NH+]=C(NCC[NH+]1CCC1)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000261991041 658976980 /nfs/dbraw/zinc/97/69/80/658976980.db2.gz RHGIYTOXZYTIRE-MRXNPFEDSA-N 2 2 350.511 -0.104 20 30 FBEDLP CN(C(=[NH2+])NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000262237735 659034476 /nfs/dbraw/zinc/03/44/76/659034476.db2.gz NJOXRZXIUSFDBZ-UHFFFAOYSA-N 2 2 366.491 -0.058 20 30 FBEDLP C#CCNC(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)=[NH+]C ZINC000262638247 659893672 /nfs/dbraw/zinc/89/36/72/659893672.db2.gz NVYIYKLWCGWONP-UHFFFAOYSA-N 2 2 364.475 -0.668 20 30 FBEDLP CN1CC[NH+]=C1NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000262671849 659899091 /nfs/dbraw/zinc/89/90/91/659899091.db2.gz RLPMXIRTISTACY-UHFFFAOYSA-N 2 2 352.464 -0.576 20 30 FBEDLP C[C@@H]1C[NH+]=C(NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)N1 ZINC000262682581 659899503 /nfs/dbraw/zinc/89/95/03/659899503.db2.gz WYNHPFSGYIHONR-CYBMUJFWSA-N 2 2 352.464 -0.529 20 30 FBEDLP C[C@H]1C[NH+]=C(NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)N1 ZINC000262682583 659899606 /nfs/dbraw/zinc/89/96/06/659899606.db2.gz WYNHPFSGYIHONR-ZDUSSCGKSA-N 2 2 352.464 -0.529 20 30 FBEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262820656 659905697 /nfs/dbraw/zinc/90/56/97/659905697.db2.gz YACGRVNLOVFLLO-HNNXBMFYSA-N 2 2 369.535 -0.066 20 30 FBEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262820657 659905598 /nfs/dbraw/zinc/90/55/98/659905598.db2.gz YACGRVNLOVFLLO-OAHLLOKOSA-N 2 2 369.535 -0.066 20 30 FBEDLP COc1ccc(CNC(=[NH2+])NC[C@H](O)C[NH+]2CCOCC2)cc1OC ZINC000264128562 484314824 /nfs/dbraw/zinc/31/48/24/484314824.db2.gz SPBVTOMPMOJSJF-AWEZNQCLSA-N 2 2 352.435 -0.199 20 30 FBEDLP COc1ccc(CNC(=[NH2+])NC[C@@H](O)C[NH+]2CCOCC2)cc1OC ZINC000264128563 484314771 /nfs/dbraw/zinc/31/47/71/484314771.db2.gz SPBVTOMPMOJSJF-CQSZACIVSA-N 2 2 352.435 -0.199 20 30 FBEDLP C#CCC[NH+]1CCN(C(=O)COCC(=O)N2CC[NH+](CCC#C)CC2)CC1 ZINC000264376676 484961394 /nfs/dbraw/zinc/96/13/94/484961394.db2.gz IYEPJERBUTXZKI-UHFFFAOYSA-N 2 2 374.485 -0.662 20 30 FBEDLP C=CCN1C(=O)C(=O)N(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1=O ZINC000267239517 484964626 /nfs/dbraw/zinc/96/46/26/484964626.db2.gz KIMQVGYWOARVOP-UHFFFAOYSA-N 2 2 365.434 -0.895 20 30 FBEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)CC1 ZINC000269333819 483910568 /nfs/dbraw/zinc/91/05/68/483910568.db2.gz NIHDHRNEXJANKG-UHFFFAOYSA-N 2 2 374.489 -0.050 20 30 FBEDLP C#CC[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](CC#C)C2CC2)CC1)C1CC1 ZINC000274039331 484977424 /nfs/dbraw/zinc/97/74/24/484977424.db2.gz FCHCBMGRPZZQQR-UHFFFAOYSA-N 2 2 356.470 -0.148 20 30 FBEDLP C#CC[NH+](CC(=O)N1CCN(C(=O)C[N@H+](CC#C)C2CC2)CC1)C1CC1 ZINC000274039331 484977415 /nfs/dbraw/zinc/97/74/15/484977415.db2.gz FCHCBMGRPZZQQR-UHFFFAOYSA-N 2 2 356.470 -0.148 20 30 FBEDLP N#Cc1ccc(N2CC[NH+](CCO)CC2)nc1N1CC[NH+](CCO)CC1 ZINC000276518063 484839443 /nfs/dbraw/zinc/83/94/43/484839443.db2.gz UPULPJQGDQQPBU-UHFFFAOYSA-N 2 2 360.462 -0.818 20 30 FBEDLP C#CCNC(=O)CC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000293021598 484076675 /nfs/dbraw/zinc/07/66/75/484076675.db2.gz IIUVCOPNCVGWJY-UHFFFAOYSA-N 2 2 358.446 -0.425 20 30 FBEDLP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000303885098 661836924 /nfs/dbraw/zinc/83/69/24/661836924.db2.gz MYLRZDIKBBITDP-KRWDZBQOSA-N 3 2 354.543 -0.113 20 30 FBEDLP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000303885099 661837017 /nfs/dbraw/zinc/83/70/17/661837017.db2.gz MYLRZDIKBBITDP-QGZVFWFLSA-N 3 2 354.543 -0.113 20 30 FBEDLP CCCNC(=[NH2+])NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000303888945 661836836 /nfs/dbraw/zinc/83/68/36/661836836.db2.gz LSPWBFGUXJNGGB-UHFFFAOYSA-N 2 2 354.480 -0.152 20 30 FBEDLP C[NH+]1CCN(C(=O)C2CCN(C(=O)NCC[NH+]3CCOCC3)CC2)CC1 ZINC000328794500 483902632 /nfs/dbraw/zinc/90/26/32/483902632.db2.gz SNBWJFYAKJAXBU-UHFFFAOYSA-N 2 2 367.494 -0.281 20 30 FBEDLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000328895262 483904869 /nfs/dbraw/zinc/90/48/69/483904869.db2.gz VECHHFROPFKAHU-CVEARBPZSA-N 2 2 367.494 -0.142 20 30 FBEDLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000328895262 483904865 /nfs/dbraw/zinc/90/48/65/483904865.db2.gz VECHHFROPFKAHU-CVEARBPZSA-N 2 2 367.494 -0.142 20 30 FBEDLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000328895265 483904754 /nfs/dbraw/zinc/90/47/54/483904754.db2.gz VECHHFROPFKAHU-HOTGVXAUSA-N 2 2 367.494 -0.142 20 30 FBEDLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000328895265 483904749 /nfs/dbraw/zinc/90/47/49/483904749.db2.gz VECHHFROPFKAHU-HOTGVXAUSA-N 2 2 367.494 -0.142 20 30 FBEDLP C[NH+]1CCN(C(=O)CCNC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000328933989 483906243 /nfs/dbraw/zinc/90/62/43/483906243.db2.gz PVNBBCPIXDQHFG-UHFFFAOYSA-N 2 2 355.483 -0.235 20 30 FBEDLP C[NH+]1CCN(C(=O)CCNC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000328933989 483906238 /nfs/dbraw/zinc/90/62/38/483906238.db2.gz PVNBBCPIXDQHFG-UHFFFAOYSA-N 2 2 355.483 -0.235 20 30 FBEDLP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000329054569 484209052 /nfs/dbraw/zinc/20/90/52/484209052.db2.gz SDAMOXBEPLRNNP-CABCVRRESA-N 2 2 353.467 -0.531 20 30 FBEDLP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000329054569 484209041 /nfs/dbraw/zinc/20/90/41/484209041.db2.gz SDAMOXBEPLRNNP-CABCVRRESA-N 2 2 353.467 -0.531 20 30 FBEDLP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000329054571 484208970 /nfs/dbraw/zinc/20/89/70/484208970.db2.gz SDAMOXBEPLRNNP-GJZGRUSLSA-N 2 2 353.467 -0.531 20 30 FBEDLP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000329054571 484208959 /nfs/dbraw/zinc/20/89/59/484208959.db2.gz SDAMOXBEPLRNNP-GJZGRUSLSA-N 2 2 353.467 -0.531 20 30 FBEDLP C[C@H](O)C[N@H+]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000329260691 484228437 /nfs/dbraw/zinc/22/84/37/484228437.db2.gz YYYYPZUQQLWEOH-CABCVRRESA-N 2 2 355.483 -0.549 20 30 FBEDLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000329260691 484228431 /nfs/dbraw/zinc/22/84/31/484228431.db2.gz YYYYPZUQQLWEOH-CABCVRRESA-N 2 2 355.483 -0.549 20 30 FBEDLP C[C@H](O)C[N@H+]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000329260697 484228009 /nfs/dbraw/zinc/22/80/09/484228009.db2.gz YYYYPZUQQLWEOH-GJZGRUSLSA-N 2 2 355.483 -0.549 20 30 FBEDLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000329260697 484228002 /nfs/dbraw/zinc/22/80/02/484228002.db2.gz YYYYPZUQQLWEOH-GJZGRUSLSA-N 2 2 355.483 -0.549 20 30 FBEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(=O)N1CCOCC1 ZINC000329301748 484231753 /nfs/dbraw/zinc/23/17/53/484231753.db2.gz VYDPREXQNBWASU-UHFFFAOYSA-N 2 2 355.483 -0.283 20 30 FBEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(=O)N1CCOCC1 ZINC000329301748 484231751 /nfs/dbraw/zinc/23/17/51/484231751.db2.gz VYDPREXQNBWASU-UHFFFAOYSA-N 2 2 355.483 -0.283 20 30 FBEDLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)NCC(=O)N1CCCC1 ZINC000329340449 484233667 /nfs/dbraw/zinc/23/36/67/484233667.db2.gz ZJJRTRUZVKJVJA-UHFFFAOYSA-N 2 2 368.478 -0.276 20 30 FBEDLP C[N@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000329391365 484240428 /nfs/dbraw/zinc/24/04/28/484240428.db2.gz VKSRVOUCHZYBKY-CVEARBPZSA-N 2 2 368.478 -0.013 20 30 FBEDLP C[N@@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000329391365 484240421 /nfs/dbraw/zinc/24/04/21/484240421.db2.gz VKSRVOUCHZYBKY-CVEARBPZSA-N 2 2 368.478 -0.013 20 30 FBEDLP C[N@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000329391366 484241404 /nfs/dbraw/zinc/24/14/04/484241404.db2.gz VKSRVOUCHZYBKY-HZPDHXFCSA-N 2 2 368.478 -0.013 20 30 FBEDLP C[N@@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000329391366 484241400 /nfs/dbraw/zinc/24/14/00/484241400.db2.gz VKSRVOUCHZYBKY-HZPDHXFCSA-N 2 2 368.478 -0.013 20 30 FBEDLP C[C@H](O)C[N@H+]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000329816891 484291448 /nfs/dbraw/zinc/29/14/48/484291448.db2.gz FPKUKOVYNOCJDA-CABCVRRESA-N 2 2 355.483 -0.549 20 30 FBEDLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000329816891 484291443 /nfs/dbraw/zinc/29/14/43/484291443.db2.gz FPKUKOVYNOCJDA-CABCVRRESA-N 2 2 355.483 -0.549 20 30 FBEDLP C[C@H](O)C[N@H+]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000329816893 484291811 /nfs/dbraw/zinc/29/18/11/484291811.db2.gz FPKUKOVYNOCJDA-GJZGRUSLSA-N 2 2 355.483 -0.549 20 30 FBEDLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000329816893 484291804 /nfs/dbraw/zinc/29/18/04/484291804.db2.gz FPKUKOVYNOCJDA-GJZGRUSLSA-N 2 2 355.483 -0.549 20 30 FBEDLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000329822570 484291507 /nfs/dbraw/zinc/29/15/07/484291507.db2.gz HERRKQSACSDSLX-JYJNAYRXSA-N 2 2 368.478 -0.157 20 30 FBEDLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000329822570 484291501 /nfs/dbraw/zinc/29/15/01/484291501.db2.gz HERRKQSACSDSLX-JYJNAYRXSA-N 2 2 368.478 -0.157 20 30 FBEDLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000329822570 484291491 /nfs/dbraw/zinc/29/14/91/484291491.db2.gz HERRKQSACSDSLX-JYJNAYRXSA-N 2 2 368.478 -0.157 20 30 FBEDLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000329822570 484291487 /nfs/dbraw/zinc/29/14/87/484291487.db2.gz HERRKQSACSDSLX-JYJNAYRXSA-N 2 2 368.478 -0.157 20 30 FBEDLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000329822572 484291115 /nfs/dbraw/zinc/29/11/15/484291115.db2.gz HERRKQSACSDSLX-XHSDSOJGSA-N 2 2 368.478 -0.157 20 30 FBEDLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000329822572 484291109 /nfs/dbraw/zinc/29/11/09/484291109.db2.gz HERRKQSACSDSLX-XHSDSOJGSA-N 2 2 368.478 -0.157 20 30 FBEDLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000329822572 484291102 /nfs/dbraw/zinc/29/11/02/484291102.db2.gz HERRKQSACSDSLX-XHSDSOJGSA-N 2 2 368.478 -0.157 20 30 FBEDLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000329822572 484291096 /nfs/dbraw/zinc/29/10/96/484291096.db2.gz HERRKQSACSDSLX-XHSDSOJGSA-N 2 2 368.478 -0.157 20 30 FBEDLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CC1 ZINC000329951551 484300510 /nfs/dbraw/zinc/30/05/10/484300510.db2.gz MVKYEQVOEHSNGH-CABCVRRESA-N 2 2 353.467 -0.532 20 30 FBEDLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CC1 ZINC000329951551 484300501 /nfs/dbraw/zinc/30/05/01/484300501.db2.gz MVKYEQVOEHSNGH-CABCVRRESA-N 2 2 353.467 -0.532 20 30 FBEDLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000329951561 484300367 /nfs/dbraw/zinc/30/03/67/484300367.db2.gz MVKYEQVOEHSNGH-GJZGRUSLSA-N 2 2 353.467 -0.532 20 30 FBEDLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000329951561 484300358 /nfs/dbraw/zinc/30/03/58/484300358.db2.gz MVKYEQVOEHSNGH-GJZGRUSLSA-N 2 2 353.467 -0.532 20 30 FBEDLP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000329970380 484302046 /nfs/dbraw/zinc/30/20/46/484302046.db2.gz XDEIBBPHFSCUHD-UHFFFAOYSA-N 2 2 355.483 -0.547 20 30 FBEDLP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000329976228 484301904 /nfs/dbraw/zinc/30/19/04/484301904.db2.gz YODXTJZZENSFFR-HNNXBMFYSA-N 2 2 354.499 -0.758 20 30 FBEDLP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000329976228 484301896 /nfs/dbraw/zinc/30/18/96/484301896.db2.gz YODXTJZZENSFFR-HNNXBMFYSA-N 2 2 354.499 -0.758 20 30 FBEDLP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000329976229 484301976 /nfs/dbraw/zinc/30/19/76/484301976.db2.gz YODXTJZZENSFFR-OAHLLOKOSA-N 2 2 354.499 -0.758 20 30 FBEDLP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000329976229 484301969 /nfs/dbraw/zinc/30/19/69/484301969.db2.gz YODXTJZZENSFFR-OAHLLOKOSA-N 2 2 354.499 -0.758 20 30 FBEDLP C[NH+]1CCC(O)(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000330000302 484303684 /nfs/dbraw/zinc/30/36/84/484303684.db2.gz WEVOCFGPERZGRG-UHFFFAOYSA-N 2 2 366.466 -0.002 20 30 FBEDLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000330030610 484307934 /nfs/dbraw/zinc/30/79/34/484307934.db2.gz RXKPNSNDPVYGJI-INIZCTEOSA-N 2 2 365.482 -0.213 20 30 FBEDLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000330030610 484307926 /nfs/dbraw/zinc/30/79/26/484307926.db2.gz RXKPNSNDPVYGJI-INIZCTEOSA-N 2 2 365.482 -0.213 20 30 FBEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000330030611 484307036 /nfs/dbraw/zinc/30/70/36/484307036.db2.gz RXKPNSNDPVYGJI-MRXNPFEDSA-N 2 2 365.482 -0.213 20 30 FBEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000330030611 484307028 /nfs/dbraw/zinc/30/70/28/484307028.db2.gz RXKPNSNDPVYGJI-MRXNPFEDSA-N 2 2 365.482 -0.213 20 30 FBEDLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000330074926 484309438 /nfs/dbraw/zinc/30/94/38/484309438.db2.gz CZWWLPXXCVQVFG-HNNXBMFYSA-N 2 2 353.467 -0.529 20 30 FBEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000330074926 484309431 /nfs/dbraw/zinc/30/94/31/484309431.db2.gz CZWWLPXXCVQVFG-HNNXBMFYSA-N 2 2 353.467 -0.529 20 30 FBEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000330074928 484308880 /nfs/dbraw/zinc/30/88/80/484308880.db2.gz CZWWLPXXCVQVFG-OAHLLOKOSA-N 2 2 353.467 -0.529 20 30 FBEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000330074928 484308872 /nfs/dbraw/zinc/30/88/72/484308872.db2.gz CZWWLPXXCVQVFG-OAHLLOKOSA-N 2 2 353.467 -0.529 20 30 FBEDLP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000330110523 484312737 /nfs/dbraw/zinc/31/27/37/484312737.db2.gz AHJXQBXDCSMPFZ-CABCVRRESA-N 2 2 353.467 -0.531 20 30 FBEDLP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000330110523 484312732 /nfs/dbraw/zinc/31/27/32/484312732.db2.gz AHJXQBXDCSMPFZ-CABCVRRESA-N 2 2 353.467 -0.531 20 30 FBEDLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC1 ZINC000330110523 484312730 /nfs/dbraw/zinc/31/27/30/484312730.db2.gz AHJXQBXDCSMPFZ-CABCVRRESA-N 2 2 353.467 -0.531 20 30 FBEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC1 ZINC000330110523 484312727 /nfs/dbraw/zinc/31/27/27/484312727.db2.gz AHJXQBXDCSMPFZ-CABCVRRESA-N 2 2 353.467 -0.531 20 30 FBEDLP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000330110524 484311809 /nfs/dbraw/zinc/31/18/09/484311809.db2.gz AHJXQBXDCSMPFZ-HUUCEWRRSA-N 2 2 353.467 -0.531 20 30 FBEDLP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000330110524 484311804 /nfs/dbraw/zinc/31/18/04/484311804.db2.gz AHJXQBXDCSMPFZ-HUUCEWRRSA-N 2 2 353.467 -0.531 20 30 FBEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC1 ZINC000330110524 484311801 /nfs/dbraw/zinc/31/18/01/484311801.db2.gz AHJXQBXDCSMPFZ-HUUCEWRRSA-N 2 2 353.467 -0.531 20 30 FBEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC1 ZINC000330110524 484311795 /nfs/dbraw/zinc/31/17/95/484311795.db2.gz AHJXQBXDCSMPFZ-HUUCEWRRSA-N 2 2 353.467 -0.531 20 30 FBEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000330139879 484314201 /nfs/dbraw/zinc/31/42/01/484314201.db2.gz PEAFWOKESQJELX-CVEARBPZSA-N 2 2 367.494 -0.141 20 30 FBEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000330139879 484314198 /nfs/dbraw/zinc/31/41/98/484314198.db2.gz PEAFWOKESQJELX-CVEARBPZSA-N 2 2 367.494 -0.141 20 30 FBEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000330139880 484314593 /nfs/dbraw/zinc/31/45/93/484314593.db2.gz PEAFWOKESQJELX-HZPDHXFCSA-N 2 2 367.494 -0.141 20 30 FBEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000330139880 484314590 /nfs/dbraw/zinc/31/45/90/484314590.db2.gz PEAFWOKESQJELX-HZPDHXFCSA-N 2 2 367.494 -0.141 20 30 FBEDLP C[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+]1CCOCC1 ZINC000330151294 484314452 /nfs/dbraw/zinc/31/44/52/484314452.db2.gz LJYDULVGZHXPPB-CVEARBPZSA-N 2 2 367.494 -0.141 20 30 FBEDLP C[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+]1CCOCC1 ZINC000330151294 484314446 /nfs/dbraw/zinc/31/44/46/484314446.db2.gz LJYDULVGZHXPPB-CVEARBPZSA-N 2 2 367.494 -0.141 20 30 FBEDLP C[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+]1CCOCC1 ZINC000330151295 484314580 /nfs/dbraw/zinc/31/45/80/484314580.db2.gz LJYDULVGZHXPPB-HZPDHXFCSA-N 2 2 367.494 -0.141 20 30 FBEDLP C[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+]1CCOCC1 ZINC000330151295 484314577 /nfs/dbraw/zinc/31/45/77/484314577.db2.gz LJYDULVGZHXPPB-HZPDHXFCSA-N 2 2 367.494 -0.141 20 30 FBEDLP CNC(=O)C[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000330381800 483913101 /nfs/dbraw/zinc/91/31/01/483913101.db2.gz NTUAMZHIXMOBIR-UHFFFAOYSA-N 2 2 355.483 -0.189 20 30 FBEDLP CNC(=O)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000330452074 483915479 /nfs/dbraw/zinc/91/54/79/483915479.db2.gz ZFIDHAXLSCEHIH-UHFFFAOYSA-N 2 2 355.483 -0.189 20 30 FBEDLP CNC(=O)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000330452074 483915476 /nfs/dbraw/zinc/91/54/76/483915476.db2.gz ZFIDHAXLSCEHIH-UHFFFAOYSA-N 2 2 355.483 -0.189 20 30 FBEDLP COCC(=O)N1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000330492844 483917889 /nfs/dbraw/zinc/91/78/89/483917889.db2.gz RINCTIWWIWSKQV-UHFFFAOYSA-N 2 2 355.483 -0.283 20 30 FBEDLP C[NH+](C)CCC1CC[NH+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000330498859 483921199 /nfs/dbraw/zinc/92/11/99/483921199.db2.gz DSSVDUWHRUJLGS-AWEZNQCLSA-N 2 2 374.507 -0.133 20 30 FBEDLP C[NH+](C)CCC1CC[NH+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000330498860 483921084 /nfs/dbraw/zinc/92/10/84/483921084.db2.gz DSSVDUWHRUJLGS-CQSZACIVSA-N 2 2 374.507 -0.133 20 30 FBEDLP CNC(=O)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000330506473 483920882 /nfs/dbraw/zinc/92/08/82/483920882.db2.gz CZZUJXOBZJSKHV-UHFFFAOYSA-N 2 2 355.483 -0.189 20 30 FBEDLP CNC(=O)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000330506473 483920877 /nfs/dbraw/zinc/92/08/77/483920877.db2.gz CZZUJXOBZJSKHV-UHFFFAOYSA-N 2 2 355.483 -0.189 20 30 FBEDLP C[NH+](C)CC1CC[NH+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000330535083 483924167 /nfs/dbraw/zinc/92/41/67/483924167.db2.gz UZOHZCFPUQDSEQ-CYBMUJFWSA-N 2 2 360.480 -0.523 20 30 FBEDLP C[NH+](C)CC1CC[NH+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000330535084 483924028 /nfs/dbraw/zinc/92/40/28/483924028.db2.gz UZOHZCFPUQDSEQ-ZDUSSCGKSA-N 2 2 360.480 -0.523 20 30 FBEDLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000330660286 483933167 /nfs/dbraw/zinc/93/31/67/483933167.db2.gz RTLCHPKZPVFXQH-GJZGRUSLSA-N 2 2 355.483 -0.238 20 30 FBEDLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000330660286 483933161 /nfs/dbraw/zinc/93/31/61/483933161.db2.gz RTLCHPKZPVFXQH-GJZGRUSLSA-N 2 2 355.483 -0.238 20 30 FBEDLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000330660287 483933615 /nfs/dbraw/zinc/93/36/15/483933615.db2.gz RTLCHPKZPVFXQH-LSDHHAIUSA-N 2 2 355.483 -0.238 20 30 FBEDLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000330660287 483933610 /nfs/dbraw/zinc/93/36/10/483933610.db2.gz RTLCHPKZPVFXQH-LSDHHAIUSA-N 2 2 355.483 -0.238 20 30 FBEDLP CN(C(=O)CSCC#N)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330667425 483935241 /nfs/dbraw/zinc/93/52/41/483935241.db2.gz YFYCTSJPMMSSGR-UHFFFAOYSA-N 2 2 367.519 -0.060 20 30 FBEDLP COCC[NH+]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000330676782 483940568 /nfs/dbraw/zinc/94/05/68/483940568.db2.gz KLBZKKQVVGNPSW-UHFFFAOYSA-N 2 2 355.483 -0.283 20 30 FBEDLP CC(C)CNC(=O)NC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000330765575 483944422 /nfs/dbraw/zinc/94/44/22/483944422.db2.gz QEMOIUWCHQJEMP-UHFFFAOYSA-N 2 2 356.467 -0.168 20 30 FBEDLP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H]1C ZINC000330871290 483953328 /nfs/dbraw/zinc/95/33/28/483953328.db2.gz XUYKVVOCANXNGP-CABCVRRESA-N 2 2 369.510 -0.160 20 30 FBEDLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H]1C ZINC000330871290 483953323 /nfs/dbraw/zinc/95/33/23/483953323.db2.gz XUYKVVOCANXNGP-CABCVRRESA-N 2 2 369.510 -0.160 20 30 FBEDLP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@@H]1C ZINC000330871291 483953232 /nfs/dbraw/zinc/95/32/32/483953232.db2.gz XUYKVVOCANXNGP-GJZGRUSLSA-N 2 2 369.510 -0.160 20 30 FBEDLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@@H]1C ZINC000330871291 483953226 /nfs/dbraw/zinc/95/32/26/483953226.db2.gz XUYKVVOCANXNGP-GJZGRUSLSA-N 2 2 369.510 -0.160 20 30 FBEDLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000330874482 483952988 /nfs/dbraw/zinc/95/29/88/483952988.db2.gz ZGWVBZFILUZDJU-KBPBESRZSA-N 2 2 355.483 -0.502 20 30 FBEDLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000330874482 483952980 /nfs/dbraw/zinc/95/29/80/483952980.db2.gz ZGWVBZFILUZDJU-KBPBESRZSA-N 2 2 355.483 -0.502 20 30 FBEDLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000330874483 483954192 /nfs/dbraw/zinc/95/41/92/483954192.db2.gz ZGWVBZFILUZDJU-KGLIPLIRSA-N 2 2 355.483 -0.502 20 30 FBEDLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000330874483 483954190 /nfs/dbraw/zinc/95/41/90/483954190.db2.gz ZGWVBZFILUZDJU-KGLIPLIRSA-N 2 2 355.483 -0.502 20 30 FBEDLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CCCSCC#N)CC2)CC1 ZINC000330966459 483962263 /nfs/dbraw/zinc/96/22/63/483962263.db2.gz CZUQXECLFOXPSQ-UHFFFAOYSA-N 2 2 361.537 -0.257 20 30 FBEDLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000330970435 483962315 /nfs/dbraw/zinc/96/23/15/483962315.db2.gz JKHPWEFOXBJATR-UHFFFAOYSA-N 2 2 369.510 -0.159 20 30 FBEDLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000330983123 483964587 /nfs/dbraw/zinc/96/45/87/483964587.db2.gz KEDGQEYYBVQVSC-UHFFFAOYSA-N 2 2 355.483 -0.501 20 30 FBEDLP CNC(=O)C[NH+]1CCC(NC(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000331237897 483986994 /nfs/dbraw/zinc/98/69/94/483986994.db2.gz VIBXICIEENQWKZ-UHFFFAOYSA-N 2 2 351.455 -0.300 20 30 FBEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000361515100 483911089 /nfs/dbraw/zinc/91/10/89/483911089.db2.gz NWWMZUAQDGEGSE-KRWDZBQOSA-N 2 2 362.474 -0.619 20 30 FBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000361515101 483911212 /nfs/dbraw/zinc/91/12/12/483911212.db2.gz NWWMZUAQDGEGSE-QGZVFWFLSA-N 2 2 362.474 -0.619 20 30 FBEDLP CN(c1c(C#N)c(=O)n(C)c(=O)n1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363064097 245085508 /nfs/dbraw/zinc/08/55/08/245085508.db2.gz SCICZKZEVNBNEU-AWEZNQCLSA-N 2 2 360.462 -0.440 20 30 FBEDLP CN(c1c(C#N)c(=O)n(C)c(=O)n1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363064097 245085499 /nfs/dbraw/zinc/08/54/99/245085499.db2.gz SCICZKZEVNBNEU-AWEZNQCLSA-N 2 2 360.462 -0.440 20 30 FBEDLP CN(c1c(C#N)c(=O)n(C)c(=O)n1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363064098 245086116 /nfs/dbraw/zinc/08/61/16/245086116.db2.gz SCICZKZEVNBNEU-CQSZACIVSA-N 2 2 360.462 -0.440 20 30 FBEDLP CN(c1c(C#N)c(=O)n(C)c(=O)n1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363064098 245086112 /nfs/dbraw/zinc/08/61/12/245086112.db2.gz SCICZKZEVNBNEU-CQSZACIVSA-N 2 2 360.462 -0.440 20 30 FBEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000363108824 483913297 /nfs/dbraw/zinc/91/32/97/483913297.db2.gz YHFJJNDICWMUJP-KRWDZBQOSA-N 2 2 362.474 -0.665 20 30 FBEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000363108827 483913070 /nfs/dbraw/zinc/91/30/70/483913070.db2.gz YHFJJNDICWMUJP-QGZVFWFLSA-N 2 2 362.474 -0.665 20 30 FBEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCN2CC[NH+](CC)CC2)CC1 ZINC000363532685 484056740 /nfs/dbraw/zinc/05/67/40/484056740.db2.gz CZDXOARRFORBJQ-UHFFFAOYSA-N 2 2 363.506 -0.702 20 30 FBEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCN2CC[NH+](CC)CC2)CC1 ZINC000363532685 484056734 /nfs/dbraw/zinc/05/67/34/484056734.db2.gz CZDXOARRFORBJQ-UHFFFAOYSA-N 2 2 363.506 -0.702 20 30 FBEDLP C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000365133949 483781678 /nfs/dbraw/zinc/78/16/78/483781678.db2.gz NBSAZFTZGQSWBE-INIZCTEOSA-N 2 2 364.490 -0.066 20 30 FBEDLP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000365133950 483781489 /nfs/dbraw/zinc/78/14/89/483781489.db2.gz NBSAZFTZGQSWBE-MRXNPFEDSA-N 2 2 364.490 -0.066 20 30 FBEDLP C[NH+]1CCC(CNC(=O)NCC(=O)NCC#N)([NH+]2CCCCC2)CC1 ZINC000367585742 484081994 /nfs/dbraw/zinc/08/19/94/484081994.db2.gz FHPGQLZUSUGOFZ-UHFFFAOYSA-N 2 2 350.467 -0.124 20 30 FBEDLP O=C1N[C@H]2C[NH+](CC#CC[N@H+]3CC[C@@H]4COC(=O)N[C@H]4C3)CC[C@@H]2CO1 ZINC000368505250 483917349 /nfs/dbraw/zinc/91/73/49/483917349.db2.gz UUKAJFYWANGLPA-WCVJEAGWSA-N 2 2 362.430 -0.150 20 30 FBEDLP O=C1N[C@H]2C[NH+](CC#CC[N@@H+]3CC[C@@H]4COC(=O)N[C@H]4C3)CC[C@@H]2CO1 ZINC000368505250 483917343 /nfs/dbraw/zinc/91/73/43/483917343.db2.gz UUKAJFYWANGLPA-WCVJEAGWSA-N 2 2 362.430 -0.150 20 30 FBEDLP C=CCNC(=O)NC(=O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000369144758 483936409 /nfs/dbraw/zinc/93/64/09/483936409.db2.gz RHVRKPDGYZWGHE-UHFFFAOYSA-N 2 2 365.478 -0.126 20 30 FBEDLP C[C@@](C#N)(NC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)C1CC1 ZINC000369266425 483946346 /nfs/dbraw/zinc/94/63/46/483946346.db2.gz AXWKIOAJQYRTFA-KRWDZBQOSA-N 2 2 350.463 -0.046 20 30 FBEDLP C[C@](C#N)(NC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)C1CC1 ZINC000369266426 483944236 /nfs/dbraw/zinc/94/42/36/483944236.db2.gz AXWKIOAJQYRTFA-QGZVFWFLSA-N 2 2 350.463 -0.046 20 30 FBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000369283844 483948228 /nfs/dbraw/zinc/94/82/28/483948228.db2.gz OWAUZYACQZGETB-CVEARBPZSA-N 2 2 367.494 -0.275 20 30 FBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000369283844 483948224 /nfs/dbraw/zinc/94/82/24/483948224.db2.gz OWAUZYACQZGETB-CVEARBPZSA-N 2 2 367.494 -0.275 20 30 FBEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000369283846 483947457 /nfs/dbraw/zinc/94/74/57/483947457.db2.gz OWAUZYACQZGETB-HOTGVXAUSA-N 2 2 367.494 -0.275 20 30 FBEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000369283846 483947451 /nfs/dbraw/zinc/94/74/51/483947451.db2.gz OWAUZYACQZGETB-HOTGVXAUSA-N 2 2 367.494 -0.275 20 30 FBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000369283847 483948706 /nfs/dbraw/zinc/94/87/06/483948706.db2.gz OWAUZYACQZGETB-HZPDHXFCSA-N 2 2 367.494 -0.275 20 30 FBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000369283847 483948692 /nfs/dbraw/zinc/94/86/92/483948692.db2.gz OWAUZYACQZGETB-HZPDHXFCSA-N 2 2 367.494 -0.275 20 30 FBEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000369283848 483947924 /nfs/dbraw/zinc/94/79/24/483947924.db2.gz OWAUZYACQZGETB-JKSUJKDBSA-N 2 2 367.494 -0.275 20 30 FBEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000369283848 483947917 /nfs/dbraw/zinc/94/79/17/483947917.db2.gz OWAUZYACQZGETB-JKSUJKDBSA-N 2 2 367.494 -0.275 20 30 FBEDLP C[N@H+]1CCN(C2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)C(=O)C1 ZINC000371641286 484095010 /nfs/dbraw/zinc/09/50/10/484095010.db2.gz FCHFYEGCSFKYGI-UHFFFAOYSA-N 2 2 360.462 -0.119 20 30 FBEDLP C[N@@H+]1CCN(C2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)C(=O)C1 ZINC000371641286 484095006 /nfs/dbraw/zinc/09/50/06/484095006.db2.gz FCHFYEGCSFKYGI-UHFFFAOYSA-N 2 2 360.462 -0.119 20 30 FBEDLP C[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000373164314 484778594 /nfs/dbraw/zinc/77/85/94/484778594.db2.gz BRPRJYMDLHIHQK-CYBMUJFWSA-N 2 2 360.462 -0.440 20 30 FBEDLP C[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000373164314 484778592 /nfs/dbraw/zinc/77/85/92/484778592.db2.gz BRPRJYMDLHIHQK-CYBMUJFWSA-N 2 2 360.462 -0.440 20 30 FBEDLP C[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000373164317 484777233 /nfs/dbraw/zinc/77/72/33/484777233.db2.gz BRPRJYMDLHIHQK-ZDUSSCGKSA-N 2 2 360.462 -0.440 20 30 FBEDLP C[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000373164317 484777229 /nfs/dbraw/zinc/77/72/29/484777229.db2.gz BRPRJYMDLHIHQK-ZDUSSCGKSA-N 2 2 360.462 -0.440 20 30 FBEDLP CCC[NH+]1CCC([NH+]2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)CC1 ZINC000374018037 484782884 /nfs/dbraw/zinc/78/28/84/484782884.db2.gz MFSWVHLTNYXRMV-UHFFFAOYSA-N 2 2 374.489 -0.048 20 30 FBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374735045 484273682 /nfs/dbraw/zinc/27/36/82/484273682.db2.gz OXTISDGDMGPONV-CYBMUJFWSA-N 2 2 351.451 -0.375 20 30 FBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374735045 484273676 /nfs/dbraw/zinc/27/36/76/484273676.db2.gz OXTISDGDMGPONV-CYBMUJFWSA-N 2 2 351.451 -0.375 20 30 FBEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374735048 484274523 /nfs/dbraw/zinc/27/45/23/484274523.db2.gz OXTISDGDMGPONV-ZDUSSCGKSA-N 2 2 351.451 -0.375 20 30 FBEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374735048 484274517 /nfs/dbraw/zinc/27/45/17/484274517.db2.gz OXTISDGDMGPONV-ZDUSSCGKSA-N 2 2 351.451 -0.375 20 30 FBEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374775348 484275335 /nfs/dbraw/zinc/27/53/35/484275335.db2.gz CGWNMZFVVBCICS-AWEZNQCLSA-N 2 2 354.451 -0.454 20 30 FBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374775350 484276131 /nfs/dbraw/zinc/27/61/31/484276131.db2.gz CGWNMZFVVBCICS-CQSZACIVSA-N 2 2 354.451 -0.454 20 30 FBEDLP C[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000377221658 484806319 /nfs/dbraw/zinc/80/63/19/484806319.db2.gz KHTURMOGROIZAU-AWEZNQCLSA-N 2 2 360.466 -0.040 20 30 FBEDLP C[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000377221658 484806313 /nfs/dbraw/zinc/80/63/13/484806313.db2.gz KHTURMOGROIZAU-AWEZNQCLSA-N 2 2 360.466 -0.040 20 30 FBEDLP C[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000377221659 484807055 /nfs/dbraw/zinc/80/70/55/484807055.db2.gz KHTURMOGROIZAU-CQSZACIVSA-N 2 2 360.466 -0.040 20 30 FBEDLP C[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000377221659 484807047 /nfs/dbraw/zinc/80/70/47/484807047.db2.gz KHTURMOGROIZAU-CQSZACIVSA-N 2 2 360.466 -0.040 20 30 FBEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC2)cc1 ZINC000420149920 484706020 /nfs/dbraw/zinc/70/60/20/484706020.db2.gz JCLJVNIIYKSHPO-UHFFFAOYSA-N 2 2 365.384 -0.087 20 30 FBEDLP COCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000420187452 484704977 /nfs/dbraw/zinc/70/49/77/484704977.db2.gz RHUZBHCZEXELFX-UHFFFAOYSA-N 2 2 373.457 -0.445 20 30 FBEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000420205749 484706648 /nfs/dbraw/zinc/70/66/48/484706648.db2.gz SCCNZQQZNMUSCS-KRWDZBQOSA-N 2 2 371.441 -0.693 20 30 FBEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000420205752 484707320 /nfs/dbraw/zinc/70/73/20/484707320.db2.gz SCCNZQQZNMUSCS-QGZVFWFLSA-N 2 2 371.441 -0.693 20 30 FBEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000423010550 484743783 /nfs/dbraw/zinc/74/37/83/484743783.db2.gz GVWIPHJHQJRURG-KRWDZBQOSA-N 2 2 371.441 -0.611 20 30 FBEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)cc1 ZINC000423010551 484743789 /nfs/dbraw/zinc/74/37/89/484743789.db2.gz GVWIPHJHQJRURG-QGZVFWFLSA-N 2 2 371.441 -0.611 20 30 FBEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000423015453 484744957 /nfs/dbraw/zinc/74/49/57/484744957.db2.gz QYXLEWNRGZKVQL-HDICACEKSA-N 2 2 367.453 -0.120 20 30 FBEDLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424160356 485157201 /nfs/dbraw/zinc/15/72/01/485157201.db2.gz UHWRRGWARRWWGG-CABCVRRESA-N 2 2 351.451 -0.601 20 30 FBEDLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424160365 485157230 /nfs/dbraw/zinc/15/72/30/485157230.db2.gz UHWRRGWARRWWGG-GJZGRUSLSA-N 2 2 351.451 -0.601 20 30 FBEDLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424160366 485158215 /nfs/dbraw/zinc/15/82/15/485158215.db2.gz UHWRRGWARRWWGG-HUUCEWRRSA-N 2 2 351.451 -0.601 20 30 FBEDLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424160367 485158237 /nfs/dbraw/zinc/15/82/37/485158237.db2.gz UHWRRGWARRWWGG-LSDHHAIUSA-N 2 2 351.451 -0.601 20 30 FBEDLP N#CCCC[C@H]([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000424184226 485162885 /nfs/dbraw/zinc/16/28/85/485162885.db2.gz XJZJDEDCSDQMGQ-HNNXBMFYSA-N 2 2 373.461 -0.017 20 30 FBEDLP N#CCCC[C@H]([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000424184226 485162881 /nfs/dbraw/zinc/16/28/81/485162881.db2.gz XJZJDEDCSDQMGQ-HNNXBMFYSA-N 2 2 373.461 -0.017 20 30 FBEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000424184230 485163144 /nfs/dbraw/zinc/16/31/44/485163144.db2.gz XJZJDEDCSDQMGQ-OAHLLOKOSA-N 2 2 373.461 -0.017 20 30 FBEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000424184230 485163138 /nfs/dbraw/zinc/16/31/38/485163138.db2.gz XJZJDEDCSDQMGQ-OAHLLOKOSA-N 2 2 373.461 -0.017 20 30 FBEDLP C[NH+](C)CCN1C[C@@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)CC1=O ZINC000510401395 484130534 /nfs/dbraw/zinc/13/05/34/484130534.db2.gz YZHPZNBVNZYXGU-INIZCTEOSA-N 2 2 365.478 -0.529 20 30 FBEDLP C[NH+](C)CCN1C[C@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)CC1=O ZINC000510401400 484130198 /nfs/dbraw/zinc/13/01/98/484130198.db2.gz YZHPZNBVNZYXGU-MRXNPFEDSA-N 2 2 365.478 -0.529 20 30 FBEDLP C[NH+]1CCC(C#N)(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000518817142 483891294 /nfs/dbraw/zinc/89/12/94/483891294.db2.gz BKDREADBLDDIIS-HNNXBMFYSA-N 2 2 363.462 -0.729 20 30 FBEDLP C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000518817143 483891590 /nfs/dbraw/zinc/89/15/90/483891590.db2.gz BKDREADBLDDIIS-OAHLLOKOSA-N 2 2 363.462 -0.729 20 30 FBEDLP N#CCCN(CCC#N)C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000539199110 484565640 /nfs/dbraw/zinc/56/56/40/484565640.db2.gz YQHAFDZVWPGPSL-UHFFFAOYSA-N 2 2 363.462 -0.199 20 30 FBEDLP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCN(c3cccc(C#N)n3)CC2)C1=O ZINC000544872384 484134408 /nfs/dbraw/zinc/13/44/08/484134408.db2.gz NMMDSFXRWDDZBF-HNNXBMFYSA-N 2 2 356.430 -0.236 20 30 FBEDLP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCN(c3cccc(C#N)n3)CC2)C1=O ZINC000544872385 484133507 /nfs/dbraw/zinc/13/35/07/484133507.db2.gz NMMDSFXRWDDZBF-OAHLLOKOSA-N 2 2 356.430 -0.236 20 30 FBEDLP Cc1nn(C)c(N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)c1C#N ZINC000549171651 484010650 /nfs/dbraw/zinc/01/06/50/484010650.db2.gz IJSKBKIYTXXSCV-UHFFFAOYSA-N 2 2 359.478 -0.114 20 30 FBEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000549979393 484854234 /nfs/dbraw/zinc/85/42/34/484854234.db2.gz YKYLDZGBYLKIOC-UHFFFAOYSA-N 2 2 352.479 -0.020 20 30 FBEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000553277500 485036626 /nfs/dbraw/zinc/03/66/26/485036626.db2.gz NPWRYMGPIOTAKB-CABCVRRESA-N 2 2 352.479 -0.022 20 30 FBEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000553277501 485036773 /nfs/dbraw/zinc/03/67/73/485036773.db2.gz NPWRYMGPIOTAKB-GJZGRUSLSA-N 2 2 352.479 -0.022 20 30 FBEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000553277502 485037208 /nfs/dbraw/zinc/03/72/08/485037208.db2.gz NPWRYMGPIOTAKB-HUUCEWRRSA-N 2 2 352.479 -0.022 20 30 FBEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000553277503 485036675 /nfs/dbraw/zinc/03/66/75/485036675.db2.gz NPWRYMGPIOTAKB-LSDHHAIUSA-N 2 2 352.479 -0.022 20 30 FBEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000553395247 485044998 /nfs/dbraw/zinc/04/49/98/485044998.db2.gz FFGPLJHGZHAPKQ-UHFFFAOYSA-N 2 2 352.479 -0.066 20 30 FBEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000553672142 485060252 /nfs/dbraw/zinc/06/02/52/485060252.db2.gz MXUIRXQAFBJUEG-HNNXBMFYSA-N 2 2 352.479 -0.068 20 30 FBEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000553672143 485060111 /nfs/dbraw/zinc/06/01/11/485060111.db2.gz MXUIRXQAFBJUEG-OAHLLOKOSA-N 2 2 352.479 -0.068 20 30 FBEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)CC1 ZINC000561412501 483903688 /nfs/dbraw/zinc/90/36/88/483903688.db2.gz JUTDWPMFRJFWIC-UHFFFAOYSA-N 2 2 374.489 -0.169 20 30 FBEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000561413184 483904212 /nfs/dbraw/zinc/90/42/12/483904212.db2.gz KMGNJAWWCJUJHF-UHFFFAOYSA-N 2 2 352.479 -0.066 20 30 FBEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000561414862 483904004 /nfs/dbraw/zinc/90/40/04/483904004.db2.gz FPGUSRWHTRPFQB-UHFFFAOYSA-N 2 2 360.462 -0.180 20 30 FBEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000562871132 484037916 /nfs/dbraw/zinc/03/79/16/484037916.db2.gz DYSIPVJNTHSICV-HNNXBMFYSA-N 2 2 352.479 -0.020 20 30 FBEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000562871132 484037912 /nfs/dbraw/zinc/03/79/12/484037912.db2.gz DYSIPVJNTHSICV-HNNXBMFYSA-N 2 2 352.479 -0.020 20 30 FBEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000562871136 484037048 /nfs/dbraw/zinc/03/70/48/484037048.db2.gz DYSIPVJNTHSICV-OAHLLOKOSA-N 2 2 352.479 -0.020 20 30 FBEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000562871136 484037044 /nfs/dbraw/zinc/03/70/44/484037044.db2.gz DYSIPVJNTHSICV-OAHLLOKOSA-N 2 2 352.479 -0.020 20 30 FBEDLP CN(CCC#N)C[C@@H](O)C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000564850016 485158527 /nfs/dbraw/zinc/15/85/27/485158527.db2.gz ZTLXBZZWDAMYSL-KRWDZBQOSA-N 2 2 374.489 -0.084 20 30 FBEDLP CN(CCC#N)C[C@H](O)C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000564850017 485158579 /nfs/dbraw/zinc/15/85/79/485158579.db2.gz ZTLXBZZWDAMYSL-QGZVFWFLSA-N 2 2 374.489 -0.084 20 30 FBEDLP CC[NH+]1CCC([N@H+]2CCCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)CC1 ZINC000567721833 483791955 /nfs/dbraw/zinc/79/19/55/483791955.db2.gz FFYSMLWILDLVNJ-UHFFFAOYSA-N 2 2 374.489 -0.048 20 30 FBEDLP CC[NH+]1CCC([N@@H+]2CCCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)CC1 ZINC000567721833 483791952 /nfs/dbraw/zinc/79/19/52/483791952.db2.gz FFYSMLWILDLVNJ-UHFFFAOYSA-N 2 2 374.489 -0.048 20 30 FBEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000571187946 484200696 /nfs/dbraw/zinc/20/06/96/484200696.db2.gz BVBFOBUTGJBNDD-UHFFFAOYSA-N 2 2 352.479 -0.020 20 30 FBEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000571187946 484200692 /nfs/dbraw/zinc/20/06/92/484200692.db2.gz BVBFOBUTGJBNDD-UHFFFAOYSA-N 2 2 352.479 -0.020 20 30 FBEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000571657869 483893812 /nfs/dbraw/zinc/89/38/12/483893812.db2.gz NLFRQIXFFXFKEP-UHFFFAOYSA-N 2 2 370.457 -0.183 20 30 FBEDLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H](C[NH3+])C1 ZINC000571897371 483895583 /nfs/dbraw/zinc/89/55/83/483895583.db2.gz XSGYQCXDXHMIEV-DLBZAZTESA-N 2 2 370.457 -0.057 20 30 FBEDLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H](C[NH3+])C1 ZINC000571897371 483895580 /nfs/dbraw/zinc/89/55/80/483895580.db2.gz XSGYQCXDXHMIEV-DLBZAZTESA-N 2 2 370.457 -0.057 20 30 FBEDLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](C[NH3+])C1 ZINC000571897374 483895609 /nfs/dbraw/zinc/89/56/09/483895609.db2.gz XSGYQCXDXHMIEV-IAGOWNOFSA-N 2 2 370.457 -0.057 20 30 FBEDLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](C[NH3+])C1 ZINC000571897374 483895607 /nfs/dbraw/zinc/89/56/07/483895607.db2.gz XSGYQCXDXHMIEV-IAGOWNOFSA-N 2 2 370.457 -0.057 20 30 FBEDLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H](C[NH3+])C1 ZINC000571897376 483895493 /nfs/dbraw/zinc/89/54/93/483895493.db2.gz XSGYQCXDXHMIEV-IRXDYDNUSA-N 2 2 370.457 -0.057 20 30 FBEDLP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H](C[NH3+])C1 ZINC000571897376 483895490 /nfs/dbraw/zinc/89/54/90/483895490.db2.gz XSGYQCXDXHMIEV-IRXDYDNUSA-N 2 2 370.457 -0.057 20 30 FBEDLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](C[NH3+])C1 ZINC000571897377 483895951 /nfs/dbraw/zinc/89/59/51/483895951.db2.gz XSGYQCXDXHMIEV-SJORKVTESA-N 2 2 370.457 -0.057 20 30 FBEDLP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](C[NH3+])C1 ZINC000571897377 483895947 /nfs/dbraw/zinc/89/59/47/483895947.db2.gz XSGYQCXDXHMIEV-SJORKVTESA-N 2 2 370.457 -0.057 20 30 FBEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CCOCC)CC2)CC1 ZINC000572746868 485327545 /nfs/dbraw/zinc/32/75/45/485327545.db2.gz RLWUFJYVDDVMME-UHFFFAOYSA-N 2 2 352.479 -0.066 20 30 FBEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000573852255 483943725 /nfs/dbraw/zinc/94/37/25/483943725.db2.gz CKBDPFMUOXQJBP-HNNXBMFYSA-N 2 2 352.479 -0.020 20 30 FBEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000573852259 483943958 /nfs/dbraw/zinc/94/39/58/483943958.db2.gz CKBDPFMUOXQJBP-OAHLLOKOSA-N 2 2 352.479 -0.020 20 30 FBEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000574473185 483975782 /nfs/dbraw/zinc/97/57/82/483975782.db2.gz DWWZNOOHFILBIO-UHFFFAOYSA-N 2 2 352.479 -0.020 20 30 FBEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000574473185 483975777 /nfs/dbraw/zinc/97/57/77/483975777.db2.gz DWWZNOOHFILBIO-UHFFFAOYSA-N 2 2 352.479 -0.020 20 30 FBEDLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000580064628 484295116 /nfs/dbraw/zinc/29/51/16/484295116.db2.gz NBCDNHSGQOJFMZ-AWEZNQCLSA-N 2 2 351.476 -0.048 20 30 FBEDLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000580064629 484294675 /nfs/dbraw/zinc/29/46/75/484294675.db2.gz NBCDNHSGQOJFMZ-CQSZACIVSA-N 2 2 351.476 -0.048 20 30 FBEDLP N#Cc1cnn2cc(C[NH2+][C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cnc12 ZINC000580834629 484237892 /nfs/dbraw/zinc/23/78/92/484237892.db2.gz NIGYOSQSFZLOKZ-INIZCTEOSA-N 2 2 369.429 -0.376 20 30 FBEDLP N#Cc1cnn2cc(C[NH2+][C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cnc12 ZINC000580834630 484237402 /nfs/dbraw/zinc/23/74/02/484237402.db2.gz NIGYOSQSFZLOKZ-MRXNPFEDSA-N 2 2 369.429 -0.376 20 30 FBEDLP N#CCC(=O)N1CC[NH+](CCCC[NH+]2CCN(C(=O)CC#N)CC2)CC1 ZINC000582428308 484227846 /nfs/dbraw/zinc/22/78/46/484227846.db2.gz IDNZWHYCYMPMFI-UHFFFAOYSA-N 2 2 360.462 -0.118 20 30 FBEDLP C[NH+]1CCN(C(=O)CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000583807244 483422494 /nfs/dbraw/zinc/42/24/94/483422494.db2.gz DQNPYCMAJCDLPA-UHFFFAOYSA-N 2 2 365.459 -0.519 20 30 FBEDLP CN(C(=O)NCCn1cnc(C#N)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588731098 484577821 /nfs/dbraw/zinc/57/78/21/484577821.db2.gz OLFGHUDIWDTOFK-HNNXBMFYSA-N 2 2 360.466 -0.040 20 30 FBEDLP CN(C(=O)NCCn1cnc(C#N)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588731098 484577814 /nfs/dbraw/zinc/57/78/14/484577814.db2.gz OLFGHUDIWDTOFK-HNNXBMFYSA-N 2 2 360.466 -0.040 20 30 FBEDLP CN(C(=O)NCCn1cnc(C#N)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588731099 484577414 /nfs/dbraw/zinc/57/74/14/484577414.db2.gz OLFGHUDIWDTOFK-OAHLLOKOSA-N 2 2 360.466 -0.040 20 30 FBEDLP CN(C(=O)NCCn1cnc(C#N)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588731099 484577409 /nfs/dbraw/zinc/57/74/09/484577409.db2.gz OLFGHUDIWDTOFK-OAHLLOKOSA-N 2 2 360.466 -0.040 20 30 FBEDLP Cc1cc(N2CC[NH+](CCO)CC2)c(C#N)c(N2CC[NH+](CCO)CC2)n1 ZINC000589103136 484596002 /nfs/dbraw/zinc/59/60/02/484596002.db2.gz PSMJRAZGBBBQQL-UHFFFAOYSA-N 2 2 374.489 -0.510 20 30 FBEDLP C=CCOCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592082325 483651152 /nfs/dbraw/zinc/65/11/52/483651152.db2.gz GAQAXGXWYLTVMT-UHFFFAOYSA-N 2 2 352.479 -0.114 20 30 FBEDLP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000594437846 483703137 /nfs/dbraw/zinc/70/31/37/483703137.db2.gz FUNVTKUXJMXPRQ-CABCVRRESA-N 2 2 351.451 -0.553 20 30 FBEDLP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000594437865 483703400 /nfs/dbraw/zinc/70/34/00/483703400.db2.gz FUNVTKUXJMXPRQ-GJZGRUSLSA-N 2 2 351.451 -0.553 20 30 FBEDLP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000594437867 483703580 /nfs/dbraw/zinc/70/35/80/483703580.db2.gz FUNVTKUXJMXPRQ-HUUCEWRRSA-N 2 2 351.451 -0.553 20 30 FBEDLP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000594437868 483703283 /nfs/dbraw/zinc/70/32/83/483703283.db2.gz FUNVTKUXJMXPRQ-LSDHHAIUSA-N 2 2 351.451 -0.553 20 30 FBEDLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)CC1 ZINC000598588715 483783487 /nfs/dbraw/zinc/78/34/87/483783487.db2.gz LBCISOKOBMSNJW-HNNXBMFYSA-N 2 2 373.523 -0.603 20 30 FBEDLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)CC1 ZINC000598588735 483783727 /nfs/dbraw/zinc/78/37/27/483783727.db2.gz LBCISOKOBMSNJW-OAHLLOKOSA-N 2 2 373.523 -0.603 20 30 FBEDLP Cc1cc(NCC[NH+]2CC[C@@H](O)C2)c(C#N)c(NCC[N@H+]2CC[C@@H](O)C2)[nH+]1 ZINC000599176293 484359659 /nfs/dbraw/zinc/35/96/59/484359659.db2.gz PVRYOKDIWWIMSQ-HZPDHXFCSA-N 3 2 374.489 0.219 20 30 FBEDLP Cc1cc(NCC[NH+]2CC[C@@H](O)C2)c(C#N)c(NCC[N@@H+]2CC[C@@H](O)C2)[nH+]1 ZINC000599176293 484359655 /nfs/dbraw/zinc/35/96/55/484359655.db2.gz PVRYOKDIWWIMSQ-HZPDHXFCSA-N 3 2 374.489 0.219 20 30 FBEDLP Cc1cc(NCC[N@H+]2CC[C@@H](O)C2)c(C#N)c(NCC[NH+]2CC[C@@H](O)C2)[nH+]1 ZINC000599176293 484359651 /nfs/dbraw/zinc/35/96/51/484359651.db2.gz PVRYOKDIWWIMSQ-HZPDHXFCSA-N 3 2 374.489 0.219 20 30 FBEDLP Cc1cc(NCC[N@@H+]2CC[C@@H](O)C2)c(C#N)c(NCC[NH+]2CC[C@@H](O)C2)[nH+]1 ZINC000599176293 484359648 /nfs/dbraw/zinc/35/96/48/484359648.db2.gz PVRYOKDIWWIMSQ-HZPDHXFCSA-N 3 2 374.489 0.219 20 30 FBEDLP Cc1cc(NCC[NH+]2CC[C@H](O)C2)c(C#N)c(NCC[N@H+]2CC[C@H](O)C2)[nH+]1 ZINC000599199784 484358588 /nfs/dbraw/zinc/35/85/88/484358588.db2.gz PVRYOKDIWWIMSQ-HOTGVXAUSA-N 3 2 374.489 0.219 20 30 FBEDLP Cc1cc(NCC[NH+]2CC[C@H](O)C2)c(C#N)c(NCC[N@@H+]2CC[C@H](O)C2)[nH+]1 ZINC000599199784 484358581 /nfs/dbraw/zinc/35/85/81/484358581.db2.gz PVRYOKDIWWIMSQ-HOTGVXAUSA-N 3 2 374.489 0.219 20 30 FBEDLP Cc1cc(NCC[N@H+]2CC[C@H](O)C2)c(C#N)c(NCC[NH+]2CC[C@H](O)C2)[nH+]1 ZINC000599199784 484358576 /nfs/dbraw/zinc/35/85/76/484358576.db2.gz PVRYOKDIWWIMSQ-HOTGVXAUSA-N 3 2 374.489 0.219 20 30 FBEDLP Cc1cc(NCC[N@@H+]2CC[C@H](O)C2)c(C#N)c(NCC[NH+]2CC[C@H](O)C2)[nH+]1 ZINC000599199784 484358574 /nfs/dbraw/zinc/35/85/74/484358574.db2.gz PVRYOKDIWWIMSQ-HOTGVXAUSA-N 3 2 374.489 0.219 20 30 FBEDLP COC(=O)[C@@]1(OC)CC[N@H+](CC#CC[NH+]2CC[C@@](OC)(C(=O)OC)C2)C1 ZINC000599558345 483814003 /nfs/dbraw/zinc/81/40/03/483814003.db2.gz IMZHFRURMJKKOA-HDICACEKSA-N 2 2 368.430 -0.482 20 30 FBEDLP COC(=O)[C@@]1(OC)CC[N@@H+](CC#CC[NH+]2CC[C@@](OC)(C(=O)OC)C2)C1 ZINC000599558345 483814000 /nfs/dbraw/zinc/81/40/00/483814000.db2.gz IMZHFRURMJKKOA-HDICACEKSA-N 2 2 368.430 -0.482 20 30 FBEDLP COC(=O)[C@@]1(OC)CC[NH+](CC#CC[N@@H+]2CC[C@@](OC)(C(=O)OC)C2)C1 ZINC000599558345 483813999 /nfs/dbraw/zinc/81/39/99/483813999.db2.gz IMZHFRURMJKKOA-HDICACEKSA-N 2 2 368.430 -0.482 20 30 FBEDLP COC(=O)[C@@]1(OC)CC[NH+](CC#CC[N@H+]2CC[C@@](OC)(C(=O)OC)C2)C1 ZINC000599558345 483813995 /nfs/dbraw/zinc/81/39/95/483813995.db2.gz IMZHFRURMJKKOA-HDICACEKSA-N 2 2 368.430 -0.482 20 30 FBEDLP COC(=O)[C@@]1(OC)CC[NH+](CC#CC[N@@H+]2CC[C@](OC)(C(=O)OC)C2)C1 ZINC000599558346 483813889 /nfs/dbraw/zinc/81/38/89/483813889.db2.gz IMZHFRURMJKKOA-QZTJIDSGSA-N 2 2 368.430 -0.482 20 30 FBEDLP COC(=O)[C@@]1(OC)CC[NH+](CC#CC[N@H+]2CC[C@](OC)(C(=O)OC)C2)C1 ZINC000599558346 483813887 /nfs/dbraw/zinc/81/38/87/483813887.db2.gz IMZHFRURMJKKOA-QZTJIDSGSA-N 2 2 368.430 -0.482 20 30 FBEDLP COC(=O)[C@]1(OC)CC[NH+](CC#CC[N@@H+]2CC[C@@](OC)(C(=O)OC)C2)C1 ZINC000599558347 483814152 /nfs/dbraw/zinc/81/41/52/483814152.db2.gz IMZHFRURMJKKOA-ROUUACIJSA-N 2 2 368.430 -0.482 20 30 FBEDLP COC(=O)[C@]1(OC)CC[NH+](CC#CC[N@H+]2CC[C@@](OC)(C(=O)OC)C2)C1 ZINC000599558347 483814150 /nfs/dbraw/zinc/81/41/50/483814150.db2.gz IMZHFRURMJKKOA-ROUUACIJSA-N 2 2 368.430 -0.482 20 30 FBEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NCCOCCC[NH3+])CC2)cc1 ZINC000599961273 483555380 /nfs/dbraw/zinc/55/53/80/483555380.db2.gz AGOOVLQZOHBHST-UHFFFAOYSA-N 2 2 373.457 -0.316 20 30 FBEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000599962561 483555667 /nfs/dbraw/zinc/55/56/67/483555667.db2.gz SDUTZOCZUBEJFW-KRWDZBQOSA-N 2 2 371.441 -0.693 20 30 FBEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000599962562 483555768 /nfs/dbraw/zinc/55/57/68/483555768.db2.gz SDUTZOCZUBEJFW-QGZVFWFLSA-N 2 2 371.441 -0.693 20 30 FBEDLP C[NH2+]CCOCCNC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000599964293 483555579 /nfs/dbraw/zinc/55/55/79/483555579.db2.gz HVBXWBIPLXTQHQ-UHFFFAOYSA-N 2 2 373.457 -0.445 20 30 FBEDLP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000600798671 484581647 /nfs/dbraw/zinc/58/16/47/484581647.db2.gz SFBFZSXQAGGZMD-UHFFFAOYSA-N 2 2 373.457 -0.364 20 30 FBEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)cc1 ZINC000601581085 484592381 /nfs/dbraw/zinc/59/23/81/484592381.db2.gz NEOUKCQAAIBBCE-IRXDYDNUSA-N 2 2 353.426 -0.225 20 30 FBEDLP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCN(c3ccc(C#N)cn3)CC2)C1=O ZINC000609315734 483608528 /nfs/dbraw/zinc/60/85/28/483608528.db2.gz FBUDUOISSGHDTH-HNNXBMFYSA-N 2 2 356.430 -0.236 20 30 FBEDLP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCN(c3ccc(C#N)cn3)CC2)C1=O ZINC000609315735 483609451 /nfs/dbraw/zinc/60/94/51/483609451.db2.gz FBUDUOISSGHDTH-OAHLLOKOSA-N 2 2 356.430 -0.236 20 30 FBEDLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCN(CCC#N)CC2)C1 ZINC000611174872 484682087 /nfs/dbraw/zinc/68/20/87/484682087.db2.gz SCKCRTRWTGZWDK-KRWDZBQOSA-N 2 2 351.495 -0.009 20 30 FBEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCN(CCC#N)CC2)C1 ZINC000611174872 484682082 /nfs/dbraw/zinc/68/20/82/484682082.db2.gz SCKCRTRWTGZWDK-KRWDZBQOSA-N 2 2 351.495 -0.009 20 30 FBEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCN(CCC#N)CC2)C1 ZINC000611174873 484682862 /nfs/dbraw/zinc/68/28/62/484682862.db2.gz SCKCRTRWTGZWDK-QGZVFWFLSA-N 2 2 351.495 -0.009 20 30 FBEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCN(CCC#N)CC2)C1 ZINC000611174873 484682857 /nfs/dbraw/zinc/68/28/57/484682857.db2.gz SCKCRTRWTGZWDK-QGZVFWFLSA-N 2 2 351.495 -0.009 20 30 FBEDLP C=CCNC(=O)C[NH+]1CCN(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000619741146 484581311 /nfs/dbraw/zinc/58/13/11/484581311.db2.gz FAPZELWIMVSSPZ-BBWFWOEESA-N 2 2 354.495 -0.624 20 30 FBEDLP C=CCNC(=O)C[NH+]1CCN(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000619741146 484581309 /nfs/dbraw/zinc/58/13/09/484581309.db2.gz FAPZELWIMVSSPZ-BBWFWOEESA-N 2 2 354.495 -0.624 20 30 FBEDLP C=CCNC(=O)C[NH+]1CCN(C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000619741148 484581695 /nfs/dbraw/zinc/58/16/95/484581695.db2.gz FAPZELWIMVSSPZ-IXDOHACOSA-N 2 2 354.495 -0.624 20 30 FBEDLP C=CCNC(=O)C[NH+]1CCN(C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000619741148 484581689 /nfs/dbraw/zinc/58/16/89/484581689.db2.gz FAPZELWIMVSSPZ-IXDOHACOSA-N 2 2 354.495 -0.624 20 30 FBEDLP C=CCNC(=O)C[NH+]1CCN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000619741149 484581527 /nfs/dbraw/zinc/58/15/27/484581527.db2.gz FAPZELWIMVSSPZ-ZACQAIPSSA-N 2 2 354.495 -0.624 20 30 FBEDLP C=C(CNC(=O)[C@@H]1C[NH+](CC)CCO1)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000620747950 484612048 /nfs/dbraw/zinc/61/20/48/484612048.db2.gz JVMCKCWFJXPUOK-HOTGVXAUSA-N 2 2 368.478 -0.784 20 30 FBEDLP C=C(CNC(=O)[C@@H]1C[NH+](CC)CCO1)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000620747950 484612041 /nfs/dbraw/zinc/61/20/41/484612041.db2.gz JVMCKCWFJXPUOK-HOTGVXAUSA-N 2 2 368.478 -0.784 20 30 FBEDLP C=C(CNC(=O)[C@H]1C[NH+](CC)CCO1)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000620747951 484611309 /nfs/dbraw/zinc/61/13/09/484611309.db2.gz JVMCKCWFJXPUOK-HZPDHXFCSA-N 2 2 368.478 -0.784 20 30 FBEDLP C=C(CNC(=O)[C@H]1C[NH+](CC)CCO1)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000620747951 484611305 /nfs/dbraw/zinc/61/13/05/484611305.db2.gz JVMCKCWFJXPUOK-HZPDHXFCSA-N 2 2 368.478 -0.784 20 30 FBEDLP C=C(CNC(=O)[C@H]1C[NH+](CC)CCO1)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000620747952 484611520 /nfs/dbraw/zinc/61/15/20/484611520.db2.gz JVMCKCWFJXPUOK-IYBDPMFKSA-N 2 2 368.478 -0.784 20 30 FBEDLP C=C(CNC(=O)[C@H]1C[NH+](CC)CCO1)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000620747952 484611512 /nfs/dbraw/zinc/61/15/12/484611512.db2.gz JVMCKCWFJXPUOK-IYBDPMFKSA-N 2 2 368.478 -0.784 20 30 FBEDLP C=C(CNC(=O)[C@H]1C[N@@H+](CC)CCO1)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000620747952 484611508 /nfs/dbraw/zinc/61/15/08/484611508.db2.gz JVMCKCWFJXPUOK-IYBDPMFKSA-N 2 2 368.478 -0.784 20 30 FBEDLP C=C(CNC(=O)[C@H]1C[N@H+](CC)CCO1)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000620747952 484611499 /nfs/dbraw/zinc/61/14/99/484611499.db2.gz JVMCKCWFJXPUOK-IYBDPMFKSA-N 2 2 368.478 -0.784 20 30 FBEDLP CNC(=O)NC1CC[NH+](CC#CC[NH+]2CCC(NC(=O)NC)CC2)CC1 ZINC000625472333 483708888 /nfs/dbraw/zinc/70/88/88/483708888.db2.gz QLOOKWAHXIKYBJ-UHFFFAOYSA-N 2 2 364.494 -0.223 20 30 FBEDLP C[NH+](C)C[C@@]1(O)CCCN(CC#CC[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1 ZINC000639762418 484545665 /nfs/dbraw/zinc/54/56/65/484545665.db2.gz KXQAGOJSGFLWOM-PMACEKPBSA-N 3 2 366.550 -0.233 20 30 FBEDLP C[NH+](C)C[C@@]1(O)CCCN(CC#CC[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1 ZINC000639762418 484545659 /nfs/dbraw/zinc/54/56/59/484545659.db2.gz KXQAGOJSGFLWOM-PMACEKPBSA-N 3 2 366.550 -0.233 20 30 FBEDLP C[NH+](C)C[C@]1(O)CCC[N@H+](CC#CCN2CCC[C@@](O)(C[NH+](C)C)C2)C1 ZINC000639762419 484545721 /nfs/dbraw/zinc/54/57/21/484545721.db2.gz KXQAGOJSGFLWOM-WOJBJXKFSA-N 3 2 366.550 -0.233 20 30 FBEDLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC#CCN2CCC[C@@](O)(C[NH+](C)C)C2)C1 ZINC000639762419 484545718 /nfs/dbraw/zinc/54/57/18/484545718.db2.gz KXQAGOJSGFLWOM-WOJBJXKFSA-N 3 2 366.550 -0.233 20 30 FBEDLP C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000640062784 484602305 /nfs/dbraw/zinc/60/23/05/484602305.db2.gz PMKXMJJTKUPHJP-UHFFFAOYSA-N 2 2 368.437 -0.008 20 30 FBEDLP C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000640062784 484602298 /nfs/dbraw/zinc/60/22/98/484602298.db2.gz PMKXMJJTKUPHJP-UHFFFAOYSA-N 2 2 368.437 -0.008 20 30 FBEDLP CC#CC[NH2+]Cc1cn(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)nn1 ZINC000640876347 484671488 /nfs/dbraw/zinc/67/14/88/484671488.db2.gz IJOFGXKHHPOHDK-KRWDZBQOSA-N 2 2 362.478 -0.136 20 30 FBEDLP CC#CC[NH2+]Cc1cn(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)nn1 ZINC000640876347 484671481 /nfs/dbraw/zinc/67/14/81/484671481.db2.gz IJOFGXKHHPOHDK-KRWDZBQOSA-N 2 2 362.478 -0.136 20 30 FBEDLP CC#CC[NH2+]Cc1cn(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)nn1 ZINC000640876348 484671417 /nfs/dbraw/zinc/67/14/17/484671417.db2.gz IJOFGXKHHPOHDK-QGZVFWFLSA-N 2 2 362.478 -0.136 20 30 FBEDLP CC#CC[NH2+]Cc1cn(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)nn1 ZINC000640876348 484671412 /nfs/dbraw/zinc/67/14/12/484671412.db2.gz IJOFGXKHHPOHDK-QGZVFWFLSA-N 2 2 362.478 -0.136 20 30 FBEDLP C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645066591 484168405 /nfs/dbraw/zinc/16/84/05/484168405.db2.gz NMRBUHMIEKWTTJ-UXLLHSPISA-N 2 2 364.490 -0.022 20 30 FBEDLP C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645066591 484168402 /nfs/dbraw/zinc/16/84/02/484168402.db2.gz NMRBUHMIEKWTTJ-UXLLHSPISA-N 2 2 364.490 -0.022 20 30 FBEDLP C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645066592 484168213 /nfs/dbraw/zinc/16/82/13/484168213.db2.gz NMRBUHMIEKWTTJ-ZOBUZTSGSA-N 2 2 364.490 -0.022 20 30 FBEDLP C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645066592 484168211 /nfs/dbraw/zinc/16/82/11/484168211.db2.gz NMRBUHMIEKWTTJ-ZOBUZTSGSA-N 2 2 364.490 -0.022 20 30 FBEDLP C=CC[C@]1(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCC[NH2+]1 ZINC000662738735 483909998 /nfs/dbraw/zinc/90/99/98/483909998.db2.gz YPAGKGQGYLPXOZ-CRAIPNDOSA-N 2 2 350.463 -0.266 20 30 FBEDLP C=CC[C@]1(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCC[NH2+]1 ZINC000662738736 483910919 /nfs/dbraw/zinc/91/09/19/483910919.db2.gz YPAGKGQGYLPXOZ-MAUKXSAKSA-N 2 2 350.463 -0.266 20 30 FBEDLP C=CC[C@@]1(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCC[NH2+]1 ZINC000662738737 483910560 /nfs/dbraw/zinc/91/05/60/483910560.db2.gz YPAGKGQGYLPXOZ-QAPCUYQASA-N 2 2 350.463 -0.266 20 30 FBEDLP C=CC[C@@]1(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCC[NH2+]1 ZINC000662738738 483910906 /nfs/dbraw/zinc/91/09/06/483910906.db2.gz YPAGKGQGYLPXOZ-YJBOKZPZSA-N 2 2 350.463 -0.266 20 30 FBEDLP C=C[C@@](C)(O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000668371376 483535312 /nfs/dbraw/zinc/53/53/12/483535312.db2.gz PPRGZIACUBGELW-GOSISDBHSA-N 2 2 352.479 -0.380 20 30 FBEDLP C=C[C@](C)(O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000668371377 483534841 /nfs/dbraw/zinc/53/48/41/483534841.db2.gz PPRGZIACUBGELW-SFHVURJKSA-N 2 2 352.479 -0.380 20 30 FBEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000668835537 484339592 /nfs/dbraw/zinc/33/95/92/484339592.db2.gz CJHRTXNXXUEZGO-INIZCTEOSA-N 2 2 350.463 -0.314 20 30 FBEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000668835538 484340017 /nfs/dbraw/zinc/34/00/17/484340017.db2.gz CJHRTXNXXUEZGO-MRXNPFEDSA-N 2 2 350.463 -0.314 20 30 FBEDLP C=CCOCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668910769 483524034 /nfs/dbraw/zinc/52/40/34/483524034.db2.gz LNHXSAYSOIGDAE-HNNXBMFYSA-N 2 2 352.479 -0.020 20 30 FBEDLP C=CCOCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668910769 483524027 /nfs/dbraw/zinc/52/40/27/483524027.db2.gz LNHXSAYSOIGDAE-HNNXBMFYSA-N 2 2 352.479 -0.020 20 30 FBEDLP C=CCOCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668910771 483524075 /nfs/dbraw/zinc/52/40/75/483524075.db2.gz LNHXSAYSOIGDAE-OAHLLOKOSA-N 2 2 352.479 -0.020 20 30 FBEDLP C=CCOCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668910771 483524069 /nfs/dbraw/zinc/52/40/69/483524069.db2.gz LNHXSAYSOIGDAE-OAHLLOKOSA-N 2 2 352.479 -0.020 20 30 FBEDLP C=CCCOCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638780 484673773 /nfs/dbraw/zinc/67/37/73/484673773.db2.gz VXDRPBDECDJBCO-HNNXBMFYSA-N 2 2 352.479 -0.020 20 30 FBEDLP C=CCCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638780 484673769 /nfs/dbraw/zinc/67/37/69/484673769.db2.gz VXDRPBDECDJBCO-HNNXBMFYSA-N 2 2 352.479 -0.020 20 30 FBEDLP C=CCCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638781 484673715 /nfs/dbraw/zinc/67/37/15/484673715.db2.gz VXDRPBDECDJBCO-OAHLLOKOSA-N 2 2 352.479 -0.020 20 30 FBEDLP C=CCCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638781 484673712 /nfs/dbraw/zinc/67/37/12/484673712.db2.gz VXDRPBDECDJBCO-OAHLLOKOSA-N 2 2 352.479 -0.020 20 30 FBEDLP C=CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642207 484674935 /nfs/dbraw/zinc/67/49/35/484674935.db2.gz ZADQDEXVRDZGJY-HNNXBMFYSA-N 2 2 352.479 -0.068 20 30 FBEDLP C=CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642207 484674930 /nfs/dbraw/zinc/67/49/30/484674930.db2.gz ZADQDEXVRDZGJY-HNNXBMFYSA-N 2 2 352.479 -0.068 20 30 FBEDLP C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642209 484674416 /nfs/dbraw/zinc/67/44/16/484674416.db2.gz ZADQDEXVRDZGJY-OAHLLOKOSA-N 2 2 352.479 -0.068 20 30 FBEDLP C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642209 484674409 /nfs/dbraw/zinc/67/44/09/484674409.db2.gz ZADQDEXVRDZGJY-OAHLLOKOSA-N 2 2 352.479 -0.068 20 30 FBEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@H]2CCSC2)CC1 ZINC000758022626 660682426 /nfs/dbraw/zinc/68/24/26/660682426.db2.gz ZEGOTCLDOVUJPT-HNNXBMFYSA-N 2 2 352.504 -0.293 20 30 FBEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[NH+](C)[C@H]2CCSC2)CC1 ZINC000758022626 660682424 /nfs/dbraw/zinc/68/24/24/660682424.db2.gz ZEGOTCLDOVUJPT-HNNXBMFYSA-N 2 2 352.504 -0.293 20 30 FBEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000758022626 660682423 /nfs/dbraw/zinc/68/24/23/660682423.db2.gz ZEGOTCLDOVUJPT-HNNXBMFYSA-N 2 2 352.504 -0.293 20 30 FBEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000758022626 660682416 /nfs/dbraw/zinc/68/24/16/660682416.db2.gz ZEGOTCLDOVUJPT-HNNXBMFYSA-N 2 2 352.504 -0.293 20 30 FBEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000767184877 660748076 /nfs/dbraw/zinc/74/80/76/660748076.db2.gz XEPFDCRPDCOUQD-INIZCTEOSA-N 2 2 350.463 -0.762 20 30 FBEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000767184877 660748073 /nfs/dbraw/zinc/74/80/73/660748073.db2.gz XEPFDCRPDCOUQD-INIZCTEOSA-N 2 2 350.463 -0.762 20 30 FBEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000767184880 660748052 /nfs/dbraw/zinc/74/80/52/660748052.db2.gz XEPFDCRPDCOUQD-MRXNPFEDSA-N 2 2 350.463 -0.762 20 30 FBEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000767184880 660748050 /nfs/dbraw/zinc/74/80/50/660748050.db2.gz XEPFDCRPDCOUQD-MRXNPFEDSA-N 2 2 350.463 -0.762 20 30 FBEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCC(C)(C)S(C)(=O)=O)cn2)CC1 ZINC000774498067 660801245 /nfs/dbraw/zinc/80/12/45/660801245.db2.gz VVLMDHJKWXGGPG-UHFFFAOYSA-N 2 2 354.480 -0.025 20 30 FBEDLP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000818615102 661060531 /nfs/dbraw/zinc/06/05/31/661060531.db2.gz AEOJGUBJGMQOEE-INIZCTEOSA-N 2 2 350.463 -0.762 20 30 FBEDLP C#CC[N@H+](C)CCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000818615102 661060527 /nfs/dbraw/zinc/06/05/27/661060527.db2.gz AEOJGUBJGMQOEE-INIZCTEOSA-N 2 2 350.463 -0.762 20 30 FBEDLP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000818615103 661060403 /nfs/dbraw/zinc/06/04/03/661060403.db2.gz AEOJGUBJGMQOEE-MRXNPFEDSA-N 2 2 350.463 -0.762 20 30 FBEDLP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000818615103 661060400 /nfs/dbraw/zinc/06/04/00/661060400.db2.gz AEOJGUBJGMQOEE-MRXNPFEDSA-N 2 2 350.463 -0.762 20 30 FBEDLP C=CCNC(=[NH2+])NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000849009910 661270552 /nfs/dbraw/zinc/27/05/52/661270552.db2.gz ITMJUSHTSPGOTD-UHFFFAOYSA-N 2 2 352.464 -0.167 20 30 FBEDLP C[NH+]1CCN(c2ncc(C=[NH+]N[C@H]3CCCS(=O)(=O)C3)cn2)CC1 ZINC000863132095 661418090 /nfs/dbraw/zinc/41/80/90/661418090.db2.gz APAPQTIWOPWPMG-AWEZNQCLSA-N 2 2 352.464 -0.271 20 30 FBEDLP C[NH+]1CCN(c2ncc(C=[NH+]N[C@@H]3CCCS(=O)(=O)C3)cn2)CC1 ZINC000863132097 661418099 /nfs/dbraw/zinc/41/80/99/661418099.db2.gz APAPQTIWOPWPMG-CQSZACIVSA-N 2 2 352.464 -0.271 20 30 FBEDLP C=CCNC(=O)NC(=O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549347 661423189 /nfs/dbraw/zinc/42/31/89/661423189.db2.gz AURHBELWAGNDFQ-OLZOCXBDSA-N 2 2 351.407 -0.745 20 30 FBEDLP C#CC[C@@H](COC)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875215152 661517373 /nfs/dbraw/zinc/51/73/73/661517373.db2.gz VUHLJAVAXDRAFO-CABCVRRESA-N 2 2 350.463 -0.574 20 30 FBEDLP C#CC[C@@H](COC)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875215152 661517371 /nfs/dbraw/zinc/51/73/71/661517371.db2.gz VUHLJAVAXDRAFO-CABCVRRESA-N 2 2 350.463 -0.574 20 30 FBEDLP C#CC[C@@H](COC)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875215157 661517226 /nfs/dbraw/zinc/51/72/26/661517226.db2.gz VUHLJAVAXDRAFO-GJZGRUSLSA-N 2 2 350.463 -0.574 20 30 FBEDLP C#CC[C@@H](COC)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875215157 661517225 /nfs/dbraw/zinc/51/72/25/661517225.db2.gz VUHLJAVAXDRAFO-GJZGRUSLSA-N 2 2 350.463 -0.574 20 30 FBEDLP C#CC[C@H](COC)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875215159 661517260 /nfs/dbraw/zinc/51/72/60/661517260.db2.gz VUHLJAVAXDRAFO-HUUCEWRRSA-N 2 2 350.463 -0.574 20 30 FBEDLP C#CC[C@H](COC)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875215159 661517256 /nfs/dbraw/zinc/51/72/56/661517256.db2.gz VUHLJAVAXDRAFO-HUUCEWRRSA-N 2 2 350.463 -0.574 20 30 FBEDLP C#CC[C@H](COC)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875215161 661517245 /nfs/dbraw/zinc/51/72/45/661517245.db2.gz VUHLJAVAXDRAFO-LSDHHAIUSA-N 2 2 350.463 -0.574 20 30 FBEDLP C#CC[C@H](COC)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875215161 661517243 /nfs/dbraw/zinc/51/72/43/661517243.db2.gz VUHLJAVAXDRAFO-LSDHHAIUSA-N 2 2 350.463 -0.574 20 30 FBEDLP C#CC[C@@H](COC)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000875605942 661524581 /nfs/dbraw/zinc/52/45/81/661524581.db2.gz NJDCGLNDWKMFPB-HNNXBMFYSA-N 2 2 352.479 -0.375 20 30 FBEDLP C#CC[C@@H](COC)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000875605942 661524579 /nfs/dbraw/zinc/52/45/79/661524579.db2.gz NJDCGLNDWKMFPB-HNNXBMFYSA-N 2 2 352.479 -0.375 20 30 FBEDLP C#CC[C@H](COC)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000875605943 661524493 /nfs/dbraw/zinc/52/44/93/661524493.db2.gz NJDCGLNDWKMFPB-OAHLLOKOSA-N 2 2 352.479 -0.375 20 30 FBEDLP C#CC[C@H](COC)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000875605943 661524491 /nfs/dbraw/zinc/52/44/91/661524491.db2.gz NJDCGLNDWKMFPB-OAHLLOKOSA-N 2 2 352.479 -0.375 20 30 FBEDLP C#CC[NH+](C)CCCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000875623180 661524876 /nfs/dbraw/zinc/52/48/76/661524876.db2.gz OFOUMMHGZVNKPZ-GOSISDBHSA-N 2 2 352.479 -0.144 20 30 FBEDLP C#CC[NH+](C)CCCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000875623180 661524870 /nfs/dbraw/zinc/52/48/70/661524870.db2.gz OFOUMMHGZVNKPZ-GOSISDBHSA-N 2 2 352.479 -0.144 20 30 FBEDLP C#CC[N@@H+](C)CCCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[NH+]1C ZINC000875623180 661524867 /nfs/dbraw/zinc/52/48/67/661524867.db2.gz OFOUMMHGZVNKPZ-GOSISDBHSA-N 2 2 352.479 -0.144 20 30 FBEDLP C#CC[N@H+](C)CCCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[NH+]1C ZINC000875623180 661524863 /nfs/dbraw/zinc/52/48/63/661524863.db2.gz OFOUMMHGZVNKPZ-GOSISDBHSA-N 2 2 352.479 -0.144 20 30 FBEDLP C#CC[NH+](C)CCCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000875623181 661524980 /nfs/dbraw/zinc/52/49/80/661524980.db2.gz OFOUMMHGZVNKPZ-SFHVURJKSA-N 2 2 352.479 -0.144 20 30 FBEDLP C#CC[NH+](C)CCCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000875623181 661524979 /nfs/dbraw/zinc/52/49/79/661524979.db2.gz OFOUMMHGZVNKPZ-SFHVURJKSA-N 2 2 352.479 -0.144 20 30 FBEDLP C#CC[N@@H+](C)CCCNC(=O)NC[C@]1(CO)COCC2(CCC2)[NH+]1C ZINC000875623181 661524978 /nfs/dbraw/zinc/52/49/78/661524978.db2.gz OFOUMMHGZVNKPZ-SFHVURJKSA-N 2 2 352.479 -0.144 20 30 FBEDLP C#CC[N@H+](C)CCCNC(=O)NC[C@]1(CO)COCC2(CCC2)[NH+]1C ZINC000875623181 661524977 /nfs/dbraw/zinc/52/49/77/661524977.db2.gz OFOUMMHGZVNKPZ-SFHVURJKSA-N 2 2 352.479 -0.144 20 30 FBEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000884139281 661585426 /nfs/dbraw/zinc/58/54/26/661585426.db2.gz OHCRFITXFJRHHH-INIZCTEOSA-N 2 2 370.519 -0.108 20 30 FBEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000884139281 661585424 /nfs/dbraw/zinc/58/54/24/661585424.db2.gz OHCRFITXFJRHHH-INIZCTEOSA-N 2 2 370.519 -0.108 20 30 FBEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000884139282 661585353 /nfs/dbraw/zinc/58/53/53/661585353.db2.gz OHCRFITXFJRHHH-MRXNPFEDSA-N 2 2 370.519 -0.108 20 30 FBEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000884139282 661585349 /nfs/dbraw/zinc/58/53/49/661585349.db2.gz OHCRFITXFJRHHH-MRXNPFEDSA-N 2 2 370.519 -0.108 20 30 FBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000884280607 661587533 /nfs/dbraw/zinc/58/75/33/661587533.db2.gz OHDUAJINDNXXFE-QWRGUYRKSA-N 2 2 352.357 -0.615 20 30 FBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000884280608 661587559 /nfs/dbraw/zinc/58/75/59/661587559.db2.gz OHDUAJINDNXXFE-WDEREUQCSA-N 2 2 352.357 -0.615 20 30 FBEDLP COCCOCC[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884389095 661589991 /nfs/dbraw/zinc/58/99/91/661589991.db2.gz OPDVHCGAEFRNQB-PQUAAJSLSA-N 2 2 350.463 -0.067 20 30 FBEDLP COCCOCC[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884389096 661589957 /nfs/dbraw/zinc/58/99/57/661589957.db2.gz OPDVHCGAEFRNQB-UPTPFMHGSA-N 2 2 350.463 -0.067 20 30 FBEDLP C=C(CC[NH+](C)C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000900165328 662274384 /nfs/dbraw/zinc/27/43/84/662274384.db2.gz IBVMVMMGHPIGOE-UHFFFAOYSA-N 2 2 373.523 -0.869 20 30 FBEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@]2(O)CCC[NH+](C)C2)CC1 ZINC000900584827 662281113 /nfs/dbraw/zinc/28/11/13/662281113.db2.gz BTGRDHLNALKJJK-GOSISDBHSA-N 2 2 350.463 -0.883 20 30 FBEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@]2(O)CCC[NH+](C)C2)CC1 ZINC000900584827 662281111 /nfs/dbraw/zinc/28/11/11/662281111.db2.gz BTGRDHLNALKJJK-GOSISDBHSA-N 2 2 350.463 -0.883 20 30 FBEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900584827 662281107 /nfs/dbraw/zinc/28/11/07/662281107.db2.gz BTGRDHLNALKJJK-GOSISDBHSA-N 2 2 350.463 -0.883 20 30 FBEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900584827 662281104 /nfs/dbraw/zinc/28/11/04/662281104.db2.gz BTGRDHLNALKJJK-GOSISDBHSA-N 2 2 350.463 -0.883 20 30 FBEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)CC1 ZINC000900584828 662281260 /nfs/dbraw/zinc/28/12/60/662281260.db2.gz BTGRDHLNALKJJK-SFHVURJKSA-N 2 2 350.463 -0.883 20 30 FBEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)CC1 ZINC000900584828 662281256 /nfs/dbraw/zinc/28/12/56/662281256.db2.gz BTGRDHLNALKJJK-SFHVURJKSA-N 2 2 350.463 -0.883 20 30 FBEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900584828 662281252 /nfs/dbraw/zinc/28/12/52/662281252.db2.gz BTGRDHLNALKJJK-SFHVURJKSA-N 2 2 350.463 -0.883 20 30 FBEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900584828 662281249 /nfs/dbraw/zinc/28/12/49/662281249.db2.gz BTGRDHLNALKJJK-SFHVURJKSA-N 2 2 350.463 -0.883 20 30 FBEDLP CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905446353 660017221 /nfs/dbraw/zinc/01/72/21/660017221.db2.gz HATNFHKKLLNOEY-MSOLQXFVSA-N 2 2 353.511 -0.421 20 30 FBEDLP CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905446354 660017226 /nfs/dbraw/zinc/01/72/26/660017226.db2.gz HATNFHKKLLNOEY-QZTJIDSGSA-N 2 2 353.511 -0.421 20 30 FBEDLP CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905446355 660017287 /nfs/dbraw/zinc/01/72/87/660017287.db2.gz HATNFHKKLLNOEY-ROUUACIJSA-N 2 2 353.511 -0.421 20 30 FBEDLP CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905446356 660017251 /nfs/dbraw/zinc/01/72/51/660017251.db2.gz HATNFHKKLLNOEY-ZWKOTPCHSA-N 2 2 353.511 -0.421 20 30 FBEDLP C#CCN(C(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1)C1CC[NH+](C)CC1 ZINC000910886158 660052813 /nfs/dbraw/zinc/05/28/13/660052813.db2.gz RNZKPNSZWGYKCL-HNNXBMFYSA-N 2 2 350.463 -0.933 20 30 FBEDLP C#CCN(C(=O)C(=O)N1CC[NH+](CCOC)CC1)C1CC[NH+](C)CC1 ZINC000910886346 660052768 /nfs/dbraw/zinc/05/27/68/660052768.db2.gz TWFUVGHVVSQBFL-UHFFFAOYSA-N 2 2 350.463 -0.667 20 30 FBEDLP C#CC[NH+]1CCC(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000917785342 660192894 /nfs/dbraw/zinc/19/28/94/660192894.db2.gz YFFLUPCHYXTBSZ-UHFFFAOYSA-N 2 2 370.519 -0.108 20 30 FBEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000932038107 661701773 /nfs/dbraw/zinc/70/17/73/661701773.db2.gz HGOMCHXONSVRFR-UHFFFAOYSA-N 2 2 350.463 -0.619 20 30 FBEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000932038107 661701770 /nfs/dbraw/zinc/70/17/70/661701770.db2.gz HGOMCHXONSVRFR-UHFFFAOYSA-N 2 2 350.463 -0.619 20 30 FBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1O ZINC000968345873 662057582 /nfs/dbraw/zinc/05/75/82/662057582.db2.gz MHMXDNMQHUPMIS-UGUYLWEFSA-N 2 2 350.463 -0.888 20 30 FBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1O ZINC000968345873 662057579 /nfs/dbraw/zinc/05/75/79/662057579.db2.gz MHMXDNMQHUPMIS-UGUYLWEFSA-N 2 2 350.463 -0.888 20 30 FBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]1O ZINC000968348054 662057557 /nfs/dbraw/zinc/05/75/57/662057557.db2.gz MHMXDNMQHUPMIS-WCVJEAGWSA-N 2 2 350.463 -0.888 20 30 FBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]1O ZINC000968348054 662057553 /nfs/dbraw/zinc/05/75/53/662057553.db2.gz MHMXDNMQHUPMIS-WCVJEAGWSA-N 2 2 350.463 -0.888 20 30 FBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1O ZINC001024358508 658132699 /nfs/dbraw/zinc/13/26/99/658132699.db2.gz MHMXDNMQHUPMIS-LVQVYYBASA-N 2 2 350.463 -0.888 20 30 FBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1O ZINC001024358508 658132696 /nfs/dbraw/zinc/13/26/96/658132696.db2.gz MHMXDNMQHUPMIS-LVQVYYBASA-N 2 2 350.463 -0.888 20 30 FBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1O ZINC001024360611 658129095 /nfs/dbraw/zinc/12/90/95/658129095.db2.gz MHMXDNMQHUPMIS-FXUDXRNXSA-N 2 2 350.463 -0.888 20 30 FBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1O ZINC001024360611 658129086 /nfs/dbraw/zinc/12/90/86/658129086.db2.gz MHMXDNMQHUPMIS-FXUDXRNXSA-N 2 2 350.463 -0.888 20 30 FBEDLP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001031765954 660225655 /nfs/dbraw/zinc/22/56/55/660225655.db2.gz WNKKPSULJNIFTN-FVQBIDKESA-N 2 2 350.463 -0.460 20 30 FBEDLP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001031765954 660225654 /nfs/dbraw/zinc/22/56/54/660225654.db2.gz WNKKPSULJNIFTN-FVQBIDKESA-N 2 2 350.463 -0.460 20 30 FBEDLP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001031765955 660225698 /nfs/dbraw/zinc/22/56/98/660225698.db2.gz WNKKPSULJNIFTN-VNQPRFMTSA-N 2 2 350.463 -0.460 20 30 FBEDLP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001031765955 660225697 /nfs/dbraw/zinc/22/56/97/660225697.db2.gz WNKKPSULJNIFTN-VNQPRFMTSA-N 2 2 350.463 -0.460 20 30 FBEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001070165791 842256721 /nfs/dbraw/zinc/25/67/21/842256721.db2.gz WYZLUUCEVAWGFS-HZSPNIEDSA-N 2 2 354.842 -0.297 20 30 FBEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001070165791 842256715 /nfs/dbraw/zinc/25/67/15/842256715.db2.gz WYZLUUCEVAWGFS-HZSPNIEDSA-N 2 2 354.842 -0.297 20 30 FBEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001070165892 842257504 /nfs/dbraw/zinc/25/75/04/842257504.db2.gz WYZLUUCEVAWGFS-RDBSUJKOSA-N 2 2 354.842 -0.297 20 30 FBEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001070165892 842257501 /nfs/dbraw/zinc/25/75/01/842257501.db2.gz WYZLUUCEVAWGFS-RDBSUJKOSA-N 2 2 354.842 -0.297 20 30 FBEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001070972736 842324804 /nfs/dbraw/zinc/32/48/04/842324804.db2.gz JGIAGQDMUVHULT-HZPDHXFCSA-N 2 2 352.479 -0.068 20 30 FBEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001070972736 842324790 /nfs/dbraw/zinc/32/47/90/842324790.db2.gz JGIAGQDMUVHULT-HZPDHXFCSA-N 2 2 352.479 -0.068 20 30 FBEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001070972736 842324776 /nfs/dbraw/zinc/32/47/76/842324776.db2.gz JGIAGQDMUVHULT-HZPDHXFCSA-N 2 2 352.479 -0.068 20 30 FBEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001070972736 842324762 /nfs/dbraw/zinc/32/47/62/842324762.db2.gz JGIAGQDMUVHULT-HZPDHXFCSA-N 2 2 352.479 -0.068 20 30 FBEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001070972763 842325236 /nfs/dbraw/zinc/32/52/36/842325236.db2.gz KHFDUIWIPVCUSU-HZPDHXFCSA-N 2 2 350.463 -0.621 20 30 FBEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001070972763 842325223 /nfs/dbraw/zinc/32/52/23/842325223.db2.gz KHFDUIWIPVCUSU-HZPDHXFCSA-N 2 2 350.463 -0.621 20 30 FBEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001070972763 842325211 /nfs/dbraw/zinc/32/52/11/842325211.db2.gz KHFDUIWIPVCUSU-HZPDHXFCSA-N 2 2 350.463 -0.621 20 30 FBEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001070972763 842325208 /nfs/dbraw/zinc/32/52/08/842325208.db2.gz KHFDUIWIPVCUSU-HZPDHXFCSA-N 2 2 350.463 -0.621 20 30 FBEDLP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001070972918 842324622 /nfs/dbraw/zinc/32/46/22/842324622.db2.gz SQHCRUTWYPQSBK-HZPDHXFCSA-N 2 2 352.479 -0.068 20 30 FBEDLP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001070972918 842324609 /nfs/dbraw/zinc/32/46/09/842324609.db2.gz SQHCRUTWYPQSBK-HZPDHXFCSA-N 2 2 352.479 -0.068 20 30 FBEDLP C=CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001070972918 842324596 /nfs/dbraw/zinc/32/45/96/842324596.db2.gz SQHCRUTWYPQSBK-HZPDHXFCSA-N 2 2 352.479 -0.068 20 30 FBEDLP C=CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001070972918 842324585 /nfs/dbraw/zinc/32/45/85/842324585.db2.gz SQHCRUTWYPQSBK-HZPDHXFCSA-N 2 2 352.479 -0.068 20 30 FBEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@H]32)CC1 ZINC001076604446 836559846 /nfs/dbraw/zinc/55/98/46/836559846.db2.gz GIPJVSUHOSQVGA-DLBZAZTESA-N 2 2 367.515 -0.091 20 30 FBEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@H]32)CC1 ZINC001076604446 836559842 /nfs/dbraw/zinc/55/98/42/836559842.db2.gz GIPJVSUHOSQVGA-DLBZAZTESA-N 2 2 367.515 -0.091 20 30 FBEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001077430321 836829118 /nfs/dbraw/zinc/82/91/18/836829118.db2.gz HXANPOORAFIIOM-VQHPVUNQSA-N 2 2 351.447 -0.949 20 30 FBEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001077430321 836829112 /nfs/dbraw/zinc/82/91/12/836829112.db2.gz HXANPOORAFIIOM-VQHPVUNQSA-N 2 2 351.447 -0.949 20 30 FBEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001077430532 836830052 /nfs/dbraw/zinc/83/00/52/836830052.db2.gz PCKRPDAJPYZOQD-VQHPVUNQSA-N 2 2 353.463 -0.396 20 30 FBEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001077430532 836830043 /nfs/dbraw/zinc/83/00/43/836830043.db2.gz PCKRPDAJPYZOQD-VQHPVUNQSA-N 2 2 353.463 -0.396 20 30 FBEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001077618580 837254350 /nfs/dbraw/zinc/25/43/50/837254350.db2.gz MZYLJXFJAZIHDK-BZUAXINKSA-N 2 2 350.463 -0.724 20 30 FBEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001077618580 837254338 /nfs/dbraw/zinc/25/43/38/837254338.db2.gz MZYLJXFJAZIHDK-BZUAXINKSA-N 2 2 350.463 -0.724 20 30 FBEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001077618581 837255035 /nfs/dbraw/zinc/25/50/35/837255035.db2.gz MZYLJXFJAZIHDK-OWCLPIDISA-N 2 2 350.463 -0.724 20 30 FBEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001077618581 837255028 /nfs/dbraw/zinc/25/50/28/837255028.db2.gz MZYLJXFJAZIHDK-OWCLPIDISA-N 2 2 350.463 -0.724 20 30 FBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]2C)CC1 ZINC001080997565 838131282 /nfs/dbraw/zinc/13/12/82/838131282.db2.gz FLKGEPLUYQDDQP-GDBMZVCRSA-N 2 2 355.504 -0.187 20 30 FBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]2C)CC1 ZINC001080997565 838131277 /nfs/dbraw/zinc/13/12/77/838131277.db2.gz FLKGEPLUYQDDQP-GDBMZVCRSA-N 2 2 355.504 -0.187 20 30 FBEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](OC)C2)C1=O ZINC001082370970 838781728 /nfs/dbraw/zinc/78/17/28/838781728.db2.gz LZRDWAPVOSZISI-BZUAXINKSA-N 2 2 350.463 -0.316 20 30 FBEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](OC)C2)C1=O ZINC001082370970 838781722 /nfs/dbraw/zinc/78/17/22/838781722.db2.gz LZRDWAPVOSZISI-BZUAXINKSA-N 2 2 350.463 -0.316 20 30 FBEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](OC)C2)C1=O ZINC001082370971 838782866 /nfs/dbraw/zinc/78/28/66/838782866.db2.gz LZRDWAPVOSZISI-OWCLPIDISA-N 2 2 350.463 -0.316 20 30 FBEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](OC)C2)C1=O ZINC001082370971 838782860 /nfs/dbraw/zinc/78/28/60/838782860.db2.gz LZRDWAPVOSZISI-OWCLPIDISA-N 2 2 350.463 -0.316 20 30 FBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](CC)C(N)=O)C[C@H]2OC)CC1 ZINC001082382930 838789468 /nfs/dbraw/zinc/78/94/68/838789468.db2.gz AZRRCJWUPMMXBF-BZUAXINKSA-N 2 2 350.463 -0.589 20 30 FBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@H]2OC)CC1 ZINC001082382930 838789459 /nfs/dbraw/zinc/78/94/59/838789459.db2.gz AZRRCJWUPMMXBF-BZUAXINKSA-N 2 2 350.463 -0.589 20 30 FBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@H]2OC)CC1 ZINC001082382931 838789951 /nfs/dbraw/zinc/78/99/51/838789951.db2.gz AZRRCJWUPMMXBF-OWCLPIDISA-N 2 2 350.463 -0.589 20 30 FBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]2OC)CC1 ZINC001082382931 838789941 /nfs/dbraw/zinc/78/99/41/838789941.db2.gz AZRRCJWUPMMXBF-OWCLPIDISA-N 2 2 350.463 -0.589 20 30 FBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@H]2OC)CC1 ZINC001082384239 838790684 /nfs/dbraw/zinc/79/06/84/838790684.db2.gz LAQXWCXTJMSNSC-FVQBIDKESA-N 2 2 350.463 -0.719 20 30 FBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@H]2OC)CC1 ZINC001082384239 838790680 /nfs/dbraw/zinc/79/06/80/838790680.db2.gz LAQXWCXTJMSNSC-FVQBIDKESA-N 2 2 350.463 -0.719 20 30 FBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@H]2OC)CC1 ZINC001082384240 838791043 /nfs/dbraw/zinc/79/10/43/838791043.db2.gz LAQXWCXTJMSNSC-NUEKZKHPSA-N 2 2 350.463 -0.719 20 30 FBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]2OC)CC1 ZINC001082384240 838791036 /nfs/dbraw/zinc/79/10/36/838791036.db2.gz LAQXWCXTJMSNSC-NUEKZKHPSA-N 2 2 350.463 -0.719 20 30 FBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2OC)CC1 ZINC001082384423 838791494 /nfs/dbraw/zinc/79/14/94/838791494.db2.gz VMOORKNTCIDMGO-HZPDHXFCSA-N 2 2 350.463 -0.765 20 30 FBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2OC)CC1 ZINC001082384423 838791491 /nfs/dbraw/zinc/79/14/91/838791491.db2.gz VMOORKNTCIDMGO-HZPDHXFCSA-N 2 2 350.463 -0.765 20 30 FBEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@@H](O)C1 ZINC001083661612 836857739 /nfs/dbraw/zinc/85/77/39/836857739.db2.gz HXANPOORAFIIOM-NCOADZHNSA-N 2 2 351.447 -0.949 20 30 FBEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@@H](O)C1 ZINC001083661612 836857732 /nfs/dbraw/zinc/85/77/32/836857732.db2.gz HXANPOORAFIIOM-NCOADZHNSA-N 2 2 351.447 -0.949 20 30 FBEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@@H](O)C1 ZINC001083661847 836856924 /nfs/dbraw/zinc/85/69/24/836856924.db2.gz PCKRPDAJPYZOQD-NCOADZHNSA-N 2 2 353.463 -0.396 20 30 FBEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@@H](O)C1 ZINC001083661847 836856918 /nfs/dbraw/zinc/85/69/18/836856918.db2.gz PCKRPDAJPYZOQD-NCOADZHNSA-N 2 2 353.463 -0.396 20 30 FBEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)C1=O ZINC001083749692 837133438 /nfs/dbraw/zinc/13/34/38/837133438.db2.gz MZYLJXFJAZIHDK-OAGGEKHMSA-N 2 2 350.463 -0.724 20 30 FBEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)C1=O ZINC001083749692 837133432 /nfs/dbraw/zinc/13/34/32/837133432.db2.gz MZYLJXFJAZIHDK-OAGGEKHMSA-N 2 2 350.463 -0.724 20 30 FBEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)C1=O ZINC001083749693 837132909 /nfs/dbraw/zinc/13/29/09/837132909.db2.gz MZYLJXFJAZIHDK-PMPSAXMXSA-N 2 2 350.463 -0.724 20 30 FBEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)C1=O ZINC001083749693 837132898 /nfs/dbraw/zinc/13/28/98/837132898.db2.gz MZYLJXFJAZIHDK-PMPSAXMXSA-N 2 2 350.463 -0.724 20 30 FBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087997839 836316609 /nfs/dbraw/zinc/31/66/09/836316609.db2.gz BMBGORGQDUZGDO-IKGGRYGDSA-N 2 2 367.515 -0.091 20 30 FBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087997839 836316595 /nfs/dbraw/zinc/31/65/95/836316595.db2.gz BMBGORGQDUZGDO-IKGGRYGDSA-N 2 2 367.515 -0.091 20 30 FBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087997839 836316584 /nfs/dbraw/zinc/31/65/84/836316584.db2.gz BMBGORGQDUZGDO-IKGGRYGDSA-N 2 2 367.515 -0.091 20 30 FBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087997839 836316568 /nfs/dbraw/zinc/31/65/68/836316568.db2.gz BMBGORGQDUZGDO-IKGGRYGDSA-N 2 2 367.515 -0.091 20 30 FBEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCS(C)(=O)=O)[C@@H]2C)CC1 ZINC001089060063 836949948 /nfs/dbraw/zinc/94/99/48/836949948.db2.gz QLNXRRAEXPQPLB-ZBFHGGJFSA-N 2 2 355.504 -0.045 20 30 FBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091748690 839955869 /nfs/dbraw/zinc/95/58/69/839955869.db2.gz VLOWEKOWLBQXLJ-RYRKJORJSA-N 2 2 367.515 -0.091 20 30 FBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091748690 839955864 /nfs/dbraw/zinc/95/58/64/839955864.db2.gz VLOWEKOWLBQXLJ-RYRKJORJSA-N 2 2 367.515 -0.091 20 30 FBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091748690 839955863 /nfs/dbraw/zinc/95/58/63/839955863.db2.gz VLOWEKOWLBQXLJ-RYRKJORJSA-N 2 2 367.515 -0.091 20 30 FBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091748690 839955859 /nfs/dbraw/zinc/95/58/59/839955859.db2.gz VLOWEKOWLBQXLJ-RYRKJORJSA-N 2 2 367.515 -0.091 20 30 FBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1C ZINC001092689661 840050107 /nfs/dbraw/zinc/05/01/07/840050107.db2.gz PJGIGCFVXDSRNC-OAGGEKHMSA-N 2 2 355.504 -0.187 20 30 FBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1C ZINC001092689661 840050101 /nfs/dbraw/zinc/05/01/01/840050101.db2.gz PJGIGCFVXDSRNC-OAGGEKHMSA-N 2 2 355.504 -0.187 20 30 FBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001092689661 840050093 /nfs/dbraw/zinc/05/00/93/840050093.db2.gz PJGIGCFVXDSRNC-OAGGEKHMSA-N 2 2 355.504 -0.187 20 30 FBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001092689661 840050085 /nfs/dbraw/zinc/05/00/85/840050085.db2.gz PJGIGCFVXDSRNC-OAGGEKHMSA-N 2 2 355.504 -0.187 20 30 FBEDLP C=CCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2=O)C1 ZINC001094749306 840254355 /nfs/dbraw/zinc/25/43/55/840254355.db2.gz OPZBLKBNWMSBGN-IIAWOOMASA-N 2 2 350.463 -0.317 20 30 FBEDLP C=CCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2=O)C1 ZINC001094749306 840254349 /nfs/dbraw/zinc/25/43/49/840254349.db2.gz OPZBLKBNWMSBGN-IIAWOOMASA-N 2 2 350.463 -0.317 20 30 FBEDLP C=CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2=O)C1 ZINC001094749307 840253977 /nfs/dbraw/zinc/25/39/77/840253977.db2.gz OPZBLKBNWMSBGN-IJEWVQPXSA-N 2 2 350.463 -0.317 20 30 FBEDLP C=CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2=O)C1 ZINC001094749307 840253964 /nfs/dbraw/zinc/25/39/64/840253964.db2.gz OPZBLKBNWMSBGN-IJEWVQPXSA-N 2 2 350.463 -0.317 20 30 FBEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101187389 842451821 /nfs/dbraw/zinc/45/18/21/842451821.db2.gz QIIKVDIGWAHUNL-RKVPGOIHSA-N 2 2 350.463 -0.601 20 30 FBEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101187389 842451815 /nfs/dbraw/zinc/45/18/15/842451815.db2.gz QIIKVDIGWAHUNL-RKVPGOIHSA-N 2 2 350.463 -0.601 20 30 FBEDLP C=CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001101187389 842451811 /nfs/dbraw/zinc/45/18/11/842451811.db2.gz QIIKVDIGWAHUNL-RKVPGOIHSA-N 2 2 350.463 -0.601 20 30 FBEDLP C=CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001101187389 842451805 /nfs/dbraw/zinc/45/18/05/842451805.db2.gz QIIKVDIGWAHUNL-RKVPGOIHSA-N 2 2 350.463 -0.601 20 30 FBEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101187390 842450780 /nfs/dbraw/zinc/45/07/80/842450780.db2.gz QIIKVDIGWAHUNL-VKJFTORMSA-N 2 2 350.463 -0.601 20 30 FBEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101187390 842450771 /nfs/dbraw/zinc/45/07/71/842450771.db2.gz QIIKVDIGWAHUNL-VKJFTORMSA-N 2 2 350.463 -0.601 20 30 FBEDLP C=CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001101187390 842450761 /nfs/dbraw/zinc/45/07/61/842450761.db2.gz QIIKVDIGWAHUNL-VKJFTORMSA-N 2 2 350.463 -0.601 20 30 FBEDLP C=CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001101187390 842450754 /nfs/dbraw/zinc/45/07/54/842450754.db2.gz QIIKVDIGWAHUNL-VKJFTORMSA-N 2 2 350.463 -0.601 20 30 FBEDLP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001102079082 842587476 /nfs/dbraw/zinc/58/74/76/842587476.db2.gz VABSZCBPJNNBTH-KBUPBQIOSA-N 2 2 351.451 -0.971 20 30 FBEDLP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001102079082 842587470 /nfs/dbraw/zinc/58/74/70/842587470.db2.gz VABSZCBPJNNBTH-KBUPBQIOSA-N 2 2 351.451 -0.971 20 30 FBEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001102079082 842587465 /nfs/dbraw/zinc/58/74/65/842587465.db2.gz VABSZCBPJNNBTH-KBUPBQIOSA-N 2 2 351.451 -0.971 20 30 FBEDLP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001102079082 842587460 /nfs/dbraw/zinc/58/74/60/842587460.db2.gz VABSZCBPJNNBTH-KBUPBQIOSA-N 2 2 351.451 -0.971 20 30 FBEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102466268 842636686 /nfs/dbraw/zinc/63/66/86/842636686.db2.gz LNJRWWWODVSMTI-HUUCEWRRSA-N 2 2 351.451 -0.967 20 30 FBEDLP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102466268 842636678 /nfs/dbraw/zinc/63/66/78/842636678.db2.gz LNJRWWWODVSMTI-HUUCEWRRSA-N 2 2 351.451 -0.967 20 30 FBEDLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102589039 842671887 /nfs/dbraw/zinc/67/18/87/842671887.db2.gz VJDCCNZGVXEMIZ-KFWWJZLASA-N 2 2 351.451 -0.969 20 30 FBEDLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102589039 842671882 /nfs/dbraw/zinc/67/18/82/842671882.db2.gz VJDCCNZGVXEMIZ-KFWWJZLASA-N 2 2 351.451 -0.969 20 30 FBEDLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102589039 842671879 /nfs/dbraw/zinc/67/18/79/842671879.db2.gz VJDCCNZGVXEMIZ-KFWWJZLASA-N 2 2 351.451 -0.969 20 30 FBEDLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102589039 842671873 /nfs/dbraw/zinc/67/18/73/842671873.db2.gz VJDCCNZGVXEMIZ-KFWWJZLASA-N 2 2 351.451 -0.969 20 30 FBEDLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102589040 842671609 /nfs/dbraw/zinc/67/16/09/842671609.db2.gz VJDCCNZGVXEMIZ-RBSFLKMASA-N 2 2 351.451 -0.969 20 30 FBEDLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102589040 842671606 /nfs/dbraw/zinc/67/16/06/842671606.db2.gz VJDCCNZGVXEMIZ-RBSFLKMASA-N 2 2 351.451 -0.969 20 30 FBEDLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102589040 842671598 /nfs/dbraw/zinc/67/15/98/842671598.db2.gz VJDCCNZGVXEMIZ-RBSFLKMASA-N 2 2 351.451 -0.969 20 30 FBEDLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102589040 842671594 /nfs/dbraw/zinc/67/15/94/842671594.db2.gz VJDCCNZGVXEMIZ-RBSFLKMASA-N 2 2 351.451 -0.969 20 30 FBEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673039 839423574 /nfs/dbraw/zinc/42/35/74/839423574.db2.gz AUJHCGWFYOIZRT-RDBSUJKOSA-N 2 2 351.451 -0.329 20 30 FBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673039 839423566 /nfs/dbraw/zinc/42/35/66/839423566.db2.gz AUJHCGWFYOIZRT-RDBSUJKOSA-N 2 2 351.451 -0.329 20 30 FBEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980921 842029239 /nfs/dbraw/zinc/02/92/39/842029239.db2.gz AUJHCGWFYOIZRT-MCIONIFRSA-N 2 2 351.451 -0.329 20 30 FBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980921 842029231 /nfs/dbraw/zinc/02/92/31/842029231.db2.gz AUJHCGWFYOIZRT-MCIONIFRSA-N 2 2 351.451 -0.329 20 30 FBEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001111678373 839631619 /nfs/dbraw/zinc/63/16/19/839631619.db2.gz AWERPCVVCXWONR-DAYGRLMNSA-N 2 2 350.463 -0.410 20 30 FBEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001111678373 839631614 /nfs/dbraw/zinc/63/16/14/839631614.db2.gz AWERPCVVCXWONR-DAYGRLMNSA-N 2 2 350.463 -0.410 20 30 FBEDLP C=CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001111678373 839631607 /nfs/dbraw/zinc/63/16/07/839631607.db2.gz AWERPCVVCXWONR-DAYGRLMNSA-N 2 2 350.463 -0.410 20 30 FBEDLP C=CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001111678373 839631597 /nfs/dbraw/zinc/63/15/97/839631597.db2.gz AWERPCVVCXWONR-DAYGRLMNSA-N 2 2 350.463 -0.410 20 30 FBEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001111678374 842785280 /nfs/dbraw/zinc/78/52/80/842785280.db2.gz AWERPCVVCXWONR-MPGHIAIKSA-N 2 2 350.463 -0.410 20 30 FBEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001111678374 842785269 /nfs/dbraw/zinc/78/52/69/842785269.db2.gz AWERPCVVCXWONR-MPGHIAIKSA-N 2 2 350.463 -0.410 20 30 FBEDLP C=CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001111678374 842785263 /nfs/dbraw/zinc/78/52/63/842785263.db2.gz AWERPCVVCXWONR-MPGHIAIKSA-N 2 2 350.463 -0.410 20 30 FBEDLP C=CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001111678374 842785253 /nfs/dbraw/zinc/78/52/53/842785253.db2.gz AWERPCVVCXWONR-MPGHIAIKSA-N 2 2 350.463 -0.410 20 30 FBEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075687 842834377 /nfs/dbraw/zinc/83/43/77/842834377.db2.gz OIYLRCJAPZVAPI-MCIONIFRSA-N 2 2 363.380 -0.054 20 30 FBEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075687 842834370 /nfs/dbraw/zinc/83/43/70/842834370.db2.gz OIYLRCJAPZVAPI-MCIONIFRSA-N 2 2 363.380 -0.054 20 30 FBEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075688 842833858 /nfs/dbraw/zinc/83/38/58/842833858.db2.gz OIYLRCJAPZVAPI-MGPQQGTHSA-N 2 2 363.380 -0.054 20 30 FBEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075688 842833848 /nfs/dbraw/zinc/83/38/48/842833848.db2.gz OIYLRCJAPZVAPI-MGPQQGTHSA-N 2 2 363.380 -0.054 20 30 FBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC)C1 ZINC001112116313 842845296 /nfs/dbraw/zinc/84/52/96/842845296.db2.gz WWCUWVCCWSSCKT-UPJWGTAASA-N 2 2 360.380 -0.191 20 30 FBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC)C1 ZINC001112116313 842845292 /nfs/dbraw/zinc/84/52/92/842845292.db2.gz WWCUWVCCWSSCKT-UPJWGTAASA-N 2 2 360.380 -0.191 20 30 FBEDLP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112217044 842864325 /nfs/dbraw/zinc/86/43/25/842864325.db2.gz CWFKWNIQHCGOTK-VXGBXAGGSA-N 2 2 357.336 -0.389 20 30 FBEDLP N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112217886 842863815 /nfs/dbraw/zinc/86/38/15/842863815.db2.gz YVXWERYJERBGLH-GHMZBOCLSA-N 2 2 358.324 -0.498 20 30 FBEDLP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC001116020482 842893552 /nfs/dbraw/zinc/89/35/52/842893552.db2.gz QJWRJOHNFPKBFE-UHFFFAOYSA-N 2 2 355.504 -0.043 20 30 FBEDLP C#CCOCCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001117439376 843100822 /nfs/dbraw/zinc/10/08/22/843100822.db2.gz UOGGYHXSWDFSFV-UHFFFAOYSA-N 2 2 350.463 -0.573 20 30 FBEDLP C=CCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[NH+](CCOC)CC1 ZINC001121551381 843589739 /nfs/dbraw/zinc/58/97/39/843589739.db2.gz CRNOVEYDIGJIMW-CYBMUJFWSA-N 2 2 350.423 -0.282 20 30 FBEDLP C=CCn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[NH+](CCOC)CC1 ZINC001121551382 843589701 /nfs/dbraw/zinc/58/97/01/843589701.db2.gz CRNOVEYDIGJIMW-ZDUSSCGKSA-N 2 2 350.423 -0.282 20 30 FBEDLP C=CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147773198 839938839 /nfs/dbraw/zinc/93/88/39/839938839.db2.gz GBWVSSIZJFDPSM-HUUCEWRRSA-N 2 2 350.463 -0.458 20 30 FBEDLP C=CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147773198 839938835 /nfs/dbraw/zinc/93/88/35/839938835.db2.gz GBWVSSIZJFDPSM-HUUCEWRRSA-N 2 2 350.463 -0.458 20 30 FBEDLP C=CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147773198 839938830 /nfs/dbraw/zinc/93/88/30/839938830.db2.gz GBWVSSIZJFDPSM-HUUCEWRRSA-N 2 2 350.463 -0.458 20 30 FBEDLP C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733350 843734982 /nfs/dbraw/zinc/73/49/82/843734982.db2.gz BAXZEBDXMCLDJK-BZUAXINKSA-N 2 2 350.463 -0.717 20 30 FBEDLP C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733350 843734977 /nfs/dbraw/zinc/73/49/77/843734977.db2.gz BAXZEBDXMCLDJK-BZUAXINKSA-N 2 2 350.463 -0.717 20 30 FBEDLP C#CCNC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001149733350 843734971 /nfs/dbraw/zinc/73/49/71/843734971.db2.gz BAXZEBDXMCLDJK-BZUAXINKSA-N 2 2 350.463 -0.717 20 30 FBEDLP C#CCNC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001149733350 843734967 /nfs/dbraw/zinc/73/49/67/843734967.db2.gz BAXZEBDXMCLDJK-BZUAXINKSA-N 2 2 350.463 -0.717 20 30 FBEDLP C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733351 843734368 /nfs/dbraw/zinc/73/43/68/843734368.db2.gz BAXZEBDXMCLDJK-OWCLPIDISA-N 2 2 350.463 -0.717 20 30 FBEDLP C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733351 843734359 /nfs/dbraw/zinc/73/43/59/843734359.db2.gz BAXZEBDXMCLDJK-OWCLPIDISA-N 2 2 350.463 -0.717 20 30 FBEDLP C#CCNC(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001149733351 843734348 /nfs/dbraw/zinc/73/43/48/843734348.db2.gz BAXZEBDXMCLDJK-OWCLPIDISA-N 2 2 350.463 -0.717 20 30 FBEDLP C#CCNC(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001149733351 843734337 /nfs/dbraw/zinc/73/43/37/843734337.db2.gz BAXZEBDXMCLDJK-OWCLPIDISA-N 2 2 350.463 -0.717 20 30 FBEDLP C=CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733929 843734908 /nfs/dbraw/zinc/73/49/08/843734908.db2.gz PUGLNKLFIPMAPD-BZUAXINKSA-N 2 2 352.479 -0.164 20 30 FBEDLP C=CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733929 843734900 /nfs/dbraw/zinc/73/49/00/843734900.db2.gz PUGLNKLFIPMAPD-BZUAXINKSA-N 2 2 352.479 -0.164 20 30 FBEDLP C=CCNC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001149733929 843734895 /nfs/dbraw/zinc/73/48/95/843734895.db2.gz PUGLNKLFIPMAPD-BZUAXINKSA-N 2 2 352.479 -0.164 20 30 FBEDLP C=CCNC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001149733929 843734890 /nfs/dbraw/zinc/73/48/90/843734890.db2.gz PUGLNKLFIPMAPD-BZUAXINKSA-N 2 2 352.479 -0.164 20 30 FBEDLP C=CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733931 843734672 /nfs/dbraw/zinc/73/46/72/843734672.db2.gz PUGLNKLFIPMAPD-OWCLPIDISA-N 2 2 352.479 -0.164 20 30 FBEDLP C=CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733931 843734666 /nfs/dbraw/zinc/73/46/66/843734666.db2.gz PUGLNKLFIPMAPD-OWCLPIDISA-N 2 2 352.479 -0.164 20 30 FBEDLP C=CCNC(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001149733931 843734654 /nfs/dbraw/zinc/73/46/54/843734654.db2.gz PUGLNKLFIPMAPD-OWCLPIDISA-N 2 2 352.479 -0.164 20 30 FBEDLP C=CCNC(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001149733931 843734647 /nfs/dbraw/zinc/73/46/47/843734647.db2.gz PUGLNKLFIPMAPD-OWCLPIDISA-N 2 2 352.479 -0.164 20 30 FBEDLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](CC(=O)NCC#N)CCCO2)CC[NH+]1C ZINC001149734236 843735172 /nfs/dbraw/zinc/73/51/72/843735172.db2.gz UMTYAYSRFSPGBW-QLFBSQMISA-N 2 2 351.451 -0.827 20 30 FBEDLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](CC(=O)NCC#N)CCCO2)CC[NH+]1C ZINC001149734236 843735163 /nfs/dbraw/zinc/73/51/63/843735163.db2.gz UMTYAYSRFSPGBW-QLFBSQMISA-N 2 2 351.451 -0.827 20 30 FBEDLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CC(=O)NCC#N)CCCO2)CC[N@H+]1C ZINC001149734236 843735153 /nfs/dbraw/zinc/73/51/53/843735153.db2.gz UMTYAYSRFSPGBW-QLFBSQMISA-N 2 2 351.451 -0.827 20 30 FBEDLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CC(=O)NCC#N)CCCO2)CC[N@@H+]1C ZINC001149734236 843735145 /nfs/dbraw/zinc/73/51/45/843735145.db2.gz UMTYAYSRFSPGBW-QLFBSQMISA-N 2 2 351.451 -0.827 20 30 FBEDLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC#N)CCCO2)CC[NH+]1C ZINC001149734237 843734457 /nfs/dbraw/zinc/73/44/57/843734457.db2.gz UMTYAYSRFSPGBW-RBSFLKMASA-N 2 2 351.451 -0.827 20 30 FBEDLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NCC#N)CCCO2)CC[NH+]1C ZINC001149734237 843734446 /nfs/dbraw/zinc/73/44/46/843734446.db2.gz UMTYAYSRFSPGBW-RBSFLKMASA-N 2 2 351.451 -0.827 20 30 FBEDLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC#N)CCCO2)CC[N@H+]1C ZINC001149734237 843734440 /nfs/dbraw/zinc/73/44/40/843734440.db2.gz UMTYAYSRFSPGBW-RBSFLKMASA-N 2 2 351.451 -0.827 20 30 FBEDLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC#N)CCCO2)CC[N@@H+]1C ZINC001149734237 843734430 /nfs/dbraw/zinc/73/44/30/843734430.db2.gz UMTYAYSRFSPGBW-RBSFLKMASA-N 2 2 351.451 -0.827 20 30 FBEDLP COCC#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001149881849 843736250 /nfs/dbraw/zinc/73/62/50/843736250.db2.gz UUPMNHGZVRCBLP-BRWVUGGUSA-N 2 2 353.463 -0.438 20 30 FBEDLP COCC#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001149881849 843736240 /nfs/dbraw/zinc/73/62/40/843736240.db2.gz UUPMNHGZVRCBLP-BRWVUGGUSA-N 2 2 353.463 -0.438 20 30 FBEDLP COCC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149881849 843736230 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C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195702111 841274846 /nfs/dbraw/zinc/27/48/46/841274846.db2.gz YKZDAOOIHDDNPI-HZPDHXFCSA-N 2 2 354.495 -0.086 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195702111 841274840 /nfs/dbraw/zinc/27/48/40/841274840.db2.gz YKZDAOOIHDDNPI-HZPDHXFCSA-N 2 2 354.495 -0.086 20 30 FBEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708186 841276084 /nfs/dbraw/zinc/27/60/84/841276084.db2.gz HLNCGSCSZPTNOB-HZPDHXFCSA-N 2 2 352.479 -0.310 20 30 FBEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708186 841276080 /nfs/dbraw/zinc/27/60/80/841276080.db2.gz HLNCGSCSZPTNOB-HZPDHXFCSA-N 2 2 352.479 -0.310 20 30 FBEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871241 841290553 /nfs/dbraw/zinc/29/05/53/841290553.db2.gz OIWUOLFVEMLLHD-ARFHVFGLSA-N 2 2 354.495 -0.088 20 30 FBEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871241 841290548 /nfs/dbraw/zinc/29/05/48/841290548.db2.gz OIWUOLFVEMLLHD-ARFHVFGLSA-N 2 2 354.495 -0.088 20 30 FBEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871243 841290592 /nfs/dbraw/zinc/29/05/92/841290592.db2.gz OIWUOLFVEMLLHD-BZUAXINKSA-N 2 2 354.495 -0.088 20 30 FBEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871243 841290584 /nfs/dbraw/zinc/29/05/84/841290584.db2.gz OIWUOLFVEMLLHD-BZUAXINKSA-N 2 2 354.495 -0.088 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196222608 841330660 /nfs/dbraw/zinc/33/06/60/841330660.db2.gz UWWJUTMVUJCIRS-RBSFLKMASA-N 2 2 352.479 -0.737 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196222608 841330648 /nfs/dbraw/zinc/33/06/48/841330648.db2.gz UWWJUTMVUJCIRS-RBSFLKMASA-N 2 2 352.479 -0.737 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222608 841330635 /nfs/dbraw/zinc/33/06/35/841330635.db2.gz UWWJUTMVUJCIRS-RBSFLKMASA-N 2 2 352.479 -0.737 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222608 841330622 /nfs/dbraw/zinc/33/06/22/841330622.db2.gz UWWJUTMVUJCIRS-RBSFLKMASA-N 2 2 352.479 -0.737 20 30 FBEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196222609 841330790 /nfs/dbraw/zinc/33/07/90/841330790.db2.gz UWWJUTMVUJCIRS-RRFJBIMHSA-N 2 2 352.479 -0.737 20 30 FBEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196222609 841330783 /nfs/dbraw/zinc/33/07/83/841330783.db2.gz UWWJUTMVUJCIRS-RRFJBIMHSA-N 2 2 352.479 -0.737 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222609 841330772 /nfs/dbraw/zinc/33/07/72/841330772.db2.gz UWWJUTMVUJCIRS-RRFJBIMHSA-N 2 2 352.479 -0.737 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222609 841330761 /nfs/dbraw/zinc/33/07/61/841330761.db2.gz UWWJUTMVUJCIRS-RRFJBIMHSA-N 2 2 352.479 -0.737 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196222681 841331029 /nfs/dbraw/zinc/33/10/29/841331029.db2.gz XMYJMEQUZSFVSX-RBSFLKMASA-N 2 2 354.495 -0.184 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196222681 841331021 /nfs/dbraw/zinc/33/10/21/841331021.db2.gz XMYJMEQUZSFVSX-RBSFLKMASA-N 2 2 354.495 -0.184 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222681 841331010 /nfs/dbraw/zinc/33/10/10/841331010.db2.gz XMYJMEQUZSFVSX-RBSFLKMASA-N 2 2 354.495 -0.184 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222681 841330998 /nfs/dbraw/zinc/33/09/98/841330998.db2.gz XMYJMEQUZSFVSX-RBSFLKMASA-N 2 2 354.495 -0.184 20 30 FBEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196222684 841331488 /nfs/dbraw/zinc/33/14/88/841331488.db2.gz XMYJMEQUZSFVSX-RRFJBIMHSA-N 2 2 354.495 -0.184 20 30 FBEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196222684 841331477 /nfs/dbraw/zinc/33/14/77/841331477.db2.gz XMYJMEQUZSFVSX-RRFJBIMHSA-N 2 2 354.495 -0.184 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222684 841331467 /nfs/dbraw/zinc/33/14/67/841331467.db2.gz XMYJMEQUZSFVSX-RRFJBIMHSA-N 2 2 354.495 -0.184 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222684 841331455 /nfs/dbraw/zinc/33/14/55/841331455.db2.gz XMYJMEQUZSFVSX-RRFJBIMHSA-N 2 2 354.495 -0.184 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196268349 841335022 /nfs/dbraw/zinc/33/50/22/841335022.db2.gz RYFXVTAKDBUERH-OWCLPIDISA-N 2 2 354.495 -0.088 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196268349 841335012 /nfs/dbraw/zinc/33/50/12/841335012.db2.gz RYFXVTAKDBUERH-OWCLPIDISA-N 2 2 354.495 -0.088 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196268643 841335363 /nfs/dbraw/zinc/33/53/63/841335363.db2.gz KHLWMYGDGIBFKO-BZUAXINKSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196268643 841335353 /nfs/dbraw/zinc/33/53/53/841335353.db2.gz KHLWMYGDGIBFKO-BZUAXINKSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268643 841335348 /nfs/dbraw/zinc/33/53/48/841335348.db2.gz KHLWMYGDGIBFKO-BZUAXINKSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268643 841335335 /nfs/dbraw/zinc/33/53/35/841335335.db2.gz KHLWMYGDGIBFKO-BZUAXINKSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCNC(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196268647 841334695 /nfs/dbraw/zinc/33/46/95/841334695.db2.gz KHLWMYGDGIBFKO-OWCLPIDISA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCNC(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196268647 841334681 /nfs/dbraw/zinc/33/46/81/841334681.db2.gz KHLWMYGDGIBFKO-OWCLPIDISA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268647 841334670 /nfs/dbraw/zinc/33/46/70/841334670.db2.gz KHLWMYGDGIBFKO-OWCLPIDISA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268647 841334662 /nfs/dbraw/zinc/33/46/62/841334662.db2.gz KHLWMYGDGIBFKO-OWCLPIDISA-N 2 2 352.479 -0.070 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196269364 841335281 /nfs/dbraw/zinc/33/52/81/841335281.db2.gz UZKNZIDXHZMDNE-BZUAXINKSA-N 2 2 350.463 -0.622 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196269364 841335267 /nfs/dbraw/zinc/33/52/67/841335267.db2.gz UZKNZIDXHZMDNE-BZUAXINKSA-N 2 2 350.463 -0.622 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196269364 841335256 /nfs/dbraw/zinc/33/52/56/841335256.db2.gz UZKNZIDXHZMDNE-BZUAXINKSA-N 2 2 350.463 -0.622 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196269364 841335247 /nfs/dbraw/zinc/33/52/47/841335247.db2.gz UZKNZIDXHZMDNE-BZUAXINKSA-N 2 2 350.463 -0.622 20 30 FBEDLP C#CCNC(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196269365 841334112 /nfs/dbraw/zinc/33/41/12/841334112.db2.gz UZKNZIDXHZMDNE-OWCLPIDISA-N 2 2 350.463 -0.622 20 30 FBEDLP C#CCNC(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196269365 841334099 /nfs/dbraw/zinc/33/40/99/841334099.db2.gz UZKNZIDXHZMDNE-OWCLPIDISA-N 2 2 350.463 -0.622 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196269365 841334088 /nfs/dbraw/zinc/33/40/88/841334088.db2.gz UZKNZIDXHZMDNE-OWCLPIDISA-N 2 2 350.463 -0.622 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196269365 841334078 /nfs/dbraw/zinc/33/40/78/841334078.db2.gz UZKNZIDXHZMDNE-OWCLPIDISA-N 2 2 350.463 -0.622 20 30 FBEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196276721 841339814 /nfs/dbraw/zinc/33/98/14/841339814.db2.gz VOAIEWDZTQJJRZ-OWCLPIDISA-N 2 2 352.479 -0.312 20 30 FBEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196276721 841339802 /nfs/dbraw/zinc/33/98/02/841339802.db2.gz VOAIEWDZTQJJRZ-OWCLPIDISA-N 2 2 352.479 -0.312 20 30 FBEDLP COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196298961 841340648 /nfs/dbraw/zinc/34/06/48/841340648.db2.gz GOJPAKQJWQYCCD-BRWVUGGUSA-N 2 2 353.463 -0.702 20 30 FBEDLP COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196298961 841340644 /nfs/dbraw/zinc/34/06/44/841340644.db2.gz GOJPAKQJWQYCCD-BRWVUGGUSA-N 2 2 353.463 -0.702 20 30 FBEDLP COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196298962 841340797 /nfs/dbraw/zinc/34/07/97/841340797.db2.gz GOJPAKQJWQYCCD-GVDBMIGSSA-N 2 2 353.463 -0.702 20 30 FBEDLP COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196298962 841340785 /nfs/dbraw/zinc/34/07/85/841340785.db2.gz GOJPAKQJWQYCCD-GVDBMIGSSA-N 2 2 353.463 -0.702 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196636492 841378766 /nfs/dbraw/zinc/37/87/66/841378766.db2.gz BKGXJEAIDVPMEG-FVQBIDKESA-N 2 2 352.479 -0.430 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196636492 841378754 /nfs/dbraw/zinc/37/87/54/841378754.db2.gz BKGXJEAIDVPMEG-FVQBIDKESA-N 2 2 352.479 -0.430 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196636495 841379429 /nfs/dbraw/zinc/37/94/29/841379429.db2.gz BKGXJEAIDVPMEG-NUEKZKHPSA-N 2 2 352.479 -0.430 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196636495 841379419 /nfs/dbraw/zinc/37/94/19/841379419.db2.gz BKGXJEAIDVPMEG-NUEKZKHPSA-N 2 2 352.479 -0.430 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196638208 841379910 /nfs/dbraw/zinc/37/99/10/841379910.db2.gz QXZFQFMZFGZPIN-FVQBIDKESA-N 2 2 350.463 -0.983 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196638208 841379904 /nfs/dbraw/zinc/37/99/04/841379904.db2.gz QXZFQFMZFGZPIN-FVQBIDKESA-N 2 2 350.463 -0.983 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196638209 841380915 /nfs/dbraw/zinc/38/09/15/841380915.db2.gz QXZFQFMZFGZPIN-NUEKZKHPSA-N 2 2 350.463 -0.983 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196638209 841380904 /nfs/dbraw/zinc/38/09/04/841380904.db2.gz QXZFQFMZFGZPIN-NUEKZKHPSA-N 2 2 350.463 -0.983 20 30 FBEDLP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196939364 841410228 /nfs/dbraw/zinc/41/02/28/841410228.db2.gz GJXKYOGUIREONM-IAGOWNOFSA-N 2 2 355.479 -0.147 20 30 FBEDLP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196939364 841410219 /nfs/dbraw/zinc/41/02/19/841410219.db2.gz GJXKYOGUIREONM-IAGOWNOFSA-N 2 2 355.479 -0.147 20 30 FBEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197048780 841418515 /nfs/dbraw/zinc/41/85/15/841418515.db2.gz GIMLUBCJKOIIQG-HZPDHXFCSA-N 2 2 352.479 -0.310 20 30 FBEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197048780 841418511 /nfs/dbraw/zinc/41/85/11/841418511.db2.gz GIMLUBCJKOIIQG-HZPDHXFCSA-N 2 2 352.479 -0.310 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197057370 841420295 /nfs/dbraw/zinc/42/02/95/841420295.db2.gz AECRSVFWMKALTC-HZPDHXFCSA-N 2 2 354.495 -0.086 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197057370 841420290 /nfs/dbraw/zinc/42/02/90/841420290.db2.gz AECRSVFWMKALTC-HZPDHXFCSA-N 2 2 354.495 -0.086 20 30 FBEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493509 841467313 /nfs/dbraw/zinc/46/73/13/841467313.db2.gz QIUKRYJQYKTDCW-HZPDHXFCSA-N 2 2 352.479 -0.310 20 30 FBEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493509 841467304 /nfs/dbraw/zinc/46/73/04/841467304.db2.gz QIUKRYJQYKTDCW-HZPDHXFCSA-N 2 2 352.479 -0.310 20 30 FBEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197493509 841467297 /nfs/dbraw/zinc/46/72/97/841467297.db2.gz QIUKRYJQYKTDCW-HZPDHXFCSA-N 2 2 352.479 -0.310 20 30 FBEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197493509 841467291 /nfs/dbraw/zinc/46/72/91/841467291.db2.gz QIUKRYJQYKTDCW-HZPDHXFCSA-N 2 2 352.479 -0.310 20 30 FBEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197528473 841464982 /nfs/dbraw/zinc/46/49/82/841464982.db2.gz KWAAAGCXIUIZPJ-HUUCEWRRSA-N 2 2 353.467 -0.748 20 30 FBEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197528473 841464978 /nfs/dbraw/zinc/46/49/78/841464978.db2.gz KWAAAGCXIUIZPJ-HUUCEWRRSA-N 2 2 353.467 -0.748 20 30 FBEDLP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197528473 841464976 /nfs/dbraw/zinc/46/49/76/841464976.db2.gz KWAAAGCXIUIZPJ-HUUCEWRRSA-N 2 2 353.467 -0.748 20 30 FBEDLP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197528473 841464973 /nfs/dbraw/zinc/46/49/73/841464973.db2.gz KWAAAGCXIUIZPJ-HUUCEWRRSA-N 2 2 353.467 -0.748 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197528637 841465417 /nfs/dbraw/zinc/46/54/17/841465417.db2.gz RJTGWOAIKGFHCG-HZPDHXFCSA-N 2 2 354.495 -0.086 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197528637 841465410 /nfs/dbraw/zinc/46/54/10/841465410.db2.gz RJTGWOAIKGFHCG-HZPDHXFCSA-N 2 2 354.495 -0.086 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197528637 841465402 /nfs/dbraw/zinc/46/54/02/841465402.db2.gz RJTGWOAIKGFHCG-HZPDHXFCSA-N 2 2 354.495 -0.086 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197528637 841465394 /nfs/dbraw/zinc/46/53/94/841465394.db2.gz RJTGWOAIKGFHCG-HZPDHXFCSA-N 2 2 354.495 -0.086 20 30 FBEDLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001197782031 841495733 /nfs/dbraw/zinc/49/57/33/841495733.db2.gz DXZBTQCOCXEOHQ-HUUCEWRRSA-N 2 2 352.460 -0.141 20 30 FBEDLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001197782031 841495728 /nfs/dbraw/zinc/49/57/28/841495728.db2.gz DXZBTQCOCXEOHQ-HUUCEWRRSA-N 2 2 352.460 -0.141 20 30 FBEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)C1=O ZINC001197950448 841514255 /nfs/dbraw/zinc/51/42/55/841514255.db2.gz ZXHFRILDUPLIKK-BZUAXINKSA-N 2 2 352.479 -0.334 20 30 FBEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)C1=O ZINC001197950448 841514253 /nfs/dbraw/zinc/51/42/53/841514253.db2.gz ZXHFRILDUPLIKK-BZUAXINKSA-N 2 2 352.479 -0.334 20 30 FBEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)C1=O ZINC001197950455 841513963 /nfs/dbraw/zinc/51/39/63/841513963.db2.gz ZXHFRILDUPLIKK-OWCLPIDISA-N 2 2 352.479 -0.334 20 30 FBEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)C1=O ZINC001197950455 841513959 /nfs/dbraw/zinc/51/39/59/841513959.db2.gz ZXHFRILDUPLIKK-OWCLPIDISA-N 2 2 352.479 -0.334 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198021304 841524492 /nfs/dbraw/zinc/52/44/92/841524492.db2.gz XCEKHLQZLLWREJ-HZPDHXFCSA-N 2 2 354.495 -0.086 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198021304 841524490 /nfs/dbraw/zinc/52/44/90/841524490.db2.gz XCEKHLQZLLWREJ-HZPDHXFCSA-N 2 2 354.495 -0.086 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001198021304 841524480 /nfs/dbraw/zinc/52/44/80/841524480.db2.gz XCEKHLQZLLWREJ-HZPDHXFCSA-N 2 2 354.495 -0.086 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001198021304 841524478 /nfs/dbraw/zinc/52/44/78/841524478.db2.gz XCEKHLQZLLWREJ-HZPDHXFCSA-N 2 2 354.495 -0.086 20 30 FBEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C2)C1=O ZINC001198028511 841523400 /nfs/dbraw/zinc/52/34/00/841523400.db2.gz BZMXQLXEEFXIDA-BZUAXINKSA-N 2 2 352.479 -0.334 20 30 FBEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C2)C1=O ZINC001198028511 841523393 /nfs/dbraw/zinc/52/33/93/841523393.db2.gz BZMXQLXEEFXIDA-BZUAXINKSA-N 2 2 352.479 -0.334 20 30 FBEDLP C=CCN1CC[C@@H]([NH+]2C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CCC)C2)C1=O ZINC001198028511 841523385 /nfs/dbraw/zinc/52/33/85/841523385.db2.gz BZMXQLXEEFXIDA-BZUAXINKSA-N 2 2 352.479 -0.334 20 30 FBEDLP C=CCN1CC[C@@H]([NH+]2C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CCC)C2)C1=O ZINC001198028511 841523375 /nfs/dbraw/zinc/52/33/75/841523375.db2.gz BZMXQLXEEFXIDA-BZUAXINKSA-N 2 2 352.479 -0.334 20 30 FBEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C2)C1=O ZINC001198028512 841524051 /nfs/dbraw/zinc/52/40/51/841524051.db2.gz BZMXQLXEEFXIDA-OWCLPIDISA-N 2 2 352.479 -0.334 20 30 FBEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C2)C1=O ZINC001198028512 841524043 /nfs/dbraw/zinc/52/40/43/841524043.db2.gz BZMXQLXEEFXIDA-OWCLPIDISA-N 2 2 352.479 -0.334 20 30 FBEDLP C=CCN1CC[C@H]([NH+]2C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CCC)C2)C1=O ZINC001198028512 841524037 /nfs/dbraw/zinc/52/40/37/841524037.db2.gz BZMXQLXEEFXIDA-OWCLPIDISA-N 2 2 352.479 -0.334 20 30 FBEDLP C=CCN1CC[C@H]([NH+]2C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CCC)C2)C1=O ZINC001198028512 841524027 /nfs/dbraw/zinc/52/40/27/841524027.db2.gz BZMXQLXEEFXIDA-OWCLPIDISA-N 2 2 352.479 -0.334 20 30 FBEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198047436 841520053 /nfs/dbraw/zinc/52/00/53/841520053.db2.gz MKJVNKTZTHUQGN-HZPDHXFCSA-N 2 2 352.479 -0.310 20 30 FBEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198047436 841520044 /nfs/dbraw/zinc/52/00/44/841520044.db2.gz MKJVNKTZTHUQGN-HZPDHXFCSA-N 2 2 352.479 -0.310 20 30 FBEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001198047436 841520033 /nfs/dbraw/zinc/52/00/33/841520033.db2.gz MKJVNKTZTHUQGN-HZPDHXFCSA-N 2 2 352.479 -0.310 20 30 FBEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001198047436 841520025 /nfs/dbraw/zinc/52/00/25/841520025.db2.gz MKJVNKTZTHUQGN-HZPDHXFCSA-N 2 2 352.479 -0.310 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198654839 841578391 /nfs/dbraw/zinc/57/83/91/841578391.db2.gz WQRVQALCJDFFOJ-ARFHVFGLSA-N 2 2 352.479 -0.476 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198654839 841578383 /nfs/dbraw/zinc/57/83/83/841578383.db2.gz WQRVQALCJDFFOJ-ARFHVFGLSA-N 2 2 352.479 -0.476 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198654839 841578378 /nfs/dbraw/zinc/57/83/78/841578378.db2.gz WQRVQALCJDFFOJ-ARFHVFGLSA-N 2 2 352.479 -0.476 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198654839 841578372 /nfs/dbraw/zinc/57/83/72/841578372.db2.gz WQRVQALCJDFFOJ-ARFHVFGLSA-N 2 2 352.479 -0.476 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198654840 841578944 /nfs/dbraw/zinc/57/89/44/841578944.db2.gz WQRVQALCJDFFOJ-BZUAXINKSA-N 2 2 352.479 -0.476 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198654840 841578940 /nfs/dbraw/zinc/57/89/40/841578940.db2.gz WQRVQALCJDFFOJ-BZUAXINKSA-N 2 2 352.479 -0.476 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198654840 841578931 /nfs/dbraw/zinc/57/89/31/841578931.db2.gz WQRVQALCJDFFOJ-BZUAXINKSA-N 2 2 352.479 -0.476 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198654840 841578923 /nfs/dbraw/zinc/57/89/23/841578923.db2.gz WQRVQALCJDFFOJ-BZUAXINKSA-N 2 2 352.479 -0.476 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023271 841616693 /nfs/dbraw/zinc/61/66/93/841616693.db2.gz DGTNOKGNJPTWMI-ARFHVFGLSA-N 2 2 352.479 -0.286 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023271 841616688 /nfs/dbraw/zinc/61/66/88/841616688.db2.gz DGTNOKGNJPTWMI-ARFHVFGLSA-N 2 2 352.479 -0.286 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023281 841616620 /nfs/dbraw/zinc/61/66/20/841616620.db2.gz DGTNOKGNJPTWMI-BZUAXINKSA-N 2 2 352.479 -0.286 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023281 841616616 /nfs/dbraw/zinc/61/66/16/841616616.db2.gz DGTNOKGNJPTWMI-BZUAXINKSA-N 2 2 352.479 -0.286 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023971 841618208 /nfs/dbraw/zinc/61/82/08/841618208.db2.gz WWCKEIYAOAKSQR-ARFHVFGLSA-N 2 2 350.463 -0.838 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023971 841618201 /nfs/dbraw/zinc/61/82/01/841618201.db2.gz WWCKEIYAOAKSQR-ARFHVFGLSA-N 2 2 350.463 -0.838 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023972 841617846 /nfs/dbraw/zinc/61/78/46/841617846.db2.gz WWCKEIYAOAKSQR-BZUAXINKSA-N 2 2 350.463 -0.838 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023972 841617838 /nfs/dbraw/zinc/61/78/38/841617838.db2.gz WWCKEIYAOAKSQR-BZUAXINKSA-N 2 2 350.463 -0.838 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057936 841627058 /nfs/dbraw/zinc/62/70/58/841627058.db2.gz XUZMINBNOLKYOT-ARFHVFGLSA-N 2 2 350.463 -0.838 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057936 841627053 /nfs/dbraw/zinc/62/70/53/841627053.db2.gz XUZMINBNOLKYOT-ARFHVFGLSA-N 2 2 350.463 -0.838 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057937 841627326 /nfs/dbraw/zinc/62/73/26/841627326.db2.gz XUZMINBNOLKYOT-BZUAXINKSA-N 2 2 350.463 -0.838 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057937 841627320 /nfs/dbraw/zinc/62/73/20/841627320.db2.gz XUZMINBNOLKYOT-BZUAXINKSA-N 2 2 350.463 -0.838 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199058015 841626948 /nfs/dbraw/zinc/62/69/48/841626948.db2.gz ZUWNCYGZGVBLJV-ARFHVFGLSA-N 2 2 352.479 -0.286 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199058015 841626944 /nfs/dbraw/zinc/62/69/44/841626944.db2.gz ZUWNCYGZGVBLJV-ARFHVFGLSA-N 2 2 352.479 -0.286 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199058016 841626890 /nfs/dbraw/zinc/62/68/90/841626890.db2.gz ZUWNCYGZGVBLJV-BZUAXINKSA-N 2 2 352.479 -0.286 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199058016 841626888 /nfs/dbraw/zinc/62/68/88/841626888.db2.gz ZUWNCYGZGVBLJV-BZUAXINKSA-N 2 2 352.479 -0.286 20 30 FBEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199097214 841632025 /nfs/dbraw/zinc/63/20/25/841632025.db2.gz XPNMBPBOQCPHMU-HZPDHXFCSA-N 2 2 352.479 -0.312 20 30 FBEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199097214 841632019 /nfs/dbraw/zinc/63/20/19/841632019.db2.gz XPNMBPBOQCPHMU-HZPDHXFCSA-N 2 2 352.479 -0.312 20 30 FBEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199097214 841632007 /nfs/dbraw/zinc/63/20/07/841632007.db2.gz XPNMBPBOQCPHMU-HZPDHXFCSA-N 2 2 352.479 -0.312 20 30 FBEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199097214 841631995 /nfs/dbraw/zinc/63/19/95/841631995.db2.gz XPNMBPBOQCPHMU-HZPDHXFCSA-N 2 2 352.479 -0.312 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199104634 841631938 /nfs/dbraw/zinc/63/19/38/841631938.db2.gz PRVGPTWTEYBGFZ-HZPDHXFCSA-N 2 2 354.495 -0.088 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199104634 841631931 /nfs/dbraw/zinc/63/19/31/841631931.db2.gz PRVGPTWTEYBGFZ-HZPDHXFCSA-N 2 2 354.495 -0.088 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104634 841631927 /nfs/dbraw/zinc/63/19/27/841631927.db2.gz PRVGPTWTEYBGFZ-HZPDHXFCSA-N 2 2 354.495 -0.088 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104634 841631920 /nfs/dbraw/zinc/63/19/20/841631920.db2.gz PRVGPTWTEYBGFZ-HZPDHXFCSA-N 2 2 354.495 -0.088 20 30 FBEDLP C=CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001206585973 843991890 /nfs/dbraw/zinc/99/18/90/843991890.db2.gz JEUWWWRMTVCLPT-MCIONIFRSA-N 2 2 351.451 -0.471 20 30 FBEDLP C=CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001206585973 843991886 /nfs/dbraw/zinc/99/18/86/843991886.db2.gz JEUWWWRMTVCLPT-MCIONIFRSA-N 2 2 351.451 -0.471 20 30 FBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001206585973 843991883 /nfs/dbraw/zinc/99/18/83/843991883.db2.gz JEUWWWRMTVCLPT-MCIONIFRSA-N 2 2 351.451 -0.471 20 30 FBEDLP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001206585973 843991877 /nfs/dbraw/zinc/99/18/77/843991877.db2.gz JEUWWWRMTVCLPT-MCIONIFRSA-N 2 2 351.451 -0.471 20 30 FBEDLP C=CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001206585974 843991418 /nfs/dbraw/zinc/99/14/18/843991418.db2.gz JEUWWWRMTVCLPT-MGPQQGTHSA-N 2 2 351.451 -0.471 20 30 FBEDLP C=CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001206585974 843991417 /nfs/dbraw/zinc/99/14/17/843991417.db2.gz JEUWWWRMTVCLPT-MGPQQGTHSA-N 2 2 351.451 -0.471 20 30 FBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001206585974 843991412 /nfs/dbraw/zinc/99/14/12/843991412.db2.gz JEUWWWRMTVCLPT-MGPQQGTHSA-N 2 2 351.451 -0.471 20 30 FBEDLP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001206585974 843991408 /nfs/dbraw/zinc/99/14/08/843991408.db2.gz JEUWWWRMTVCLPT-MGPQQGTHSA-N 2 2 351.451 -0.471 20 30 FBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001207582788 844048262 /nfs/dbraw/zinc/04/82/62/844048262.db2.gz CVLRYBMUBUVMNX-OAGGEKHMSA-N 2 2 370.519 -0.588 20 30 FBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001207582788 844048255 /nfs/dbraw/zinc/04/82/55/844048255.db2.gz CVLRYBMUBUVMNX-OAGGEKHMSA-N 2 2 370.519 -0.588 20 30 FBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001207582788 844048251 /nfs/dbraw/zinc/04/82/51/844048251.db2.gz CVLRYBMUBUVMNX-OAGGEKHMSA-N 2 2 370.519 -0.588 20 30 FBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001207582788 844048244 /nfs/dbraw/zinc/04/82/44/844048244.db2.gz CVLRYBMUBUVMNX-OAGGEKHMSA-N 2 2 370.519 -0.588 20 30 FBEDLP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207703224 844056529 /nfs/dbraw/zinc/05/65/29/844056529.db2.gz SGLCWCAJGNUELY-MGPQQGTHSA-N 2 2 353.467 -0.225 20 30 FBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207703224 844056521 /nfs/dbraw/zinc/05/65/21/844056521.db2.gz SGLCWCAJGNUELY-MGPQQGTHSA-N 2 2 353.467 -0.225 20 30 FBEDLP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405107 844095569 /nfs/dbraw/zinc/09/55/69/844095569.db2.gz KEVVZIHLYYHFGU-BZUAXINKSA-N 2 2 350.463 -0.719 20 30 FBEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405107 844095558 /nfs/dbraw/zinc/09/55/58/844095558.db2.gz KEVVZIHLYYHFGU-BZUAXINKSA-N 2 2 350.463 -0.719 20 30 FBEDLP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001208405107 844095546 /nfs/dbraw/zinc/09/55/46/844095546.db2.gz KEVVZIHLYYHFGU-BZUAXINKSA-N 2 2 350.463 -0.719 20 30 FBEDLP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001208405107 844095535 /nfs/dbraw/zinc/09/55/35/844095535.db2.gz KEVVZIHLYYHFGU-BZUAXINKSA-N 2 2 350.463 -0.719 20 30 FBEDLP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405108 844095905 /nfs/dbraw/zinc/09/59/05/844095905.db2.gz KEVVZIHLYYHFGU-OAGGEKHMSA-N 2 2 350.463 -0.719 20 30 FBEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405108 844095896 /nfs/dbraw/zinc/09/58/96/844095896.db2.gz KEVVZIHLYYHFGU-OAGGEKHMSA-N 2 2 350.463 -0.719 20 30 FBEDLP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001208405108 844095887 /nfs/dbraw/zinc/09/58/87/844095887.db2.gz KEVVZIHLYYHFGU-OAGGEKHMSA-N 2 2 350.463 -0.719 20 30 FBEDLP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001208405108 844095877 /nfs/dbraw/zinc/09/58/77/844095877.db2.gz KEVVZIHLYYHFGU-OAGGEKHMSA-N 2 2 350.463 -0.719 20 30 FBEDLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001208405149 844095023 /nfs/dbraw/zinc/09/50/23/844095023.db2.gz LXXHXHUSRMBPCQ-KFWWJZLASA-N 2 2 351.451 -0.828 20 30 FBEDLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001208405149 844095012 /nfs/dbraw/zinc/09/50/12/844095012.db2.gz LXXHXHUSRMBPCQ-KFWWJZLASA-N 2 2 351.451 -0.828 20 30 FBEDLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001208405149 844095001 /nfs/dbraw/zinc/09/50/01/844095001.db2.gz LXXHXHUSRMBPCQ-KFWWJZLASA-N 2 2 351.451 -0.828 20 30 FBEDLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001208405149 844094989 /nfs/dbraw/zinc/09/49/89/844094989.db2.gz LXXHXHUSRMBPCQ-KFWWJZLASA-N 2 2 351.451 -0.828 20 30 FBEDLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001208405150 844096270 /nfs/dbraw/zinc/09/62/70/844096270.db2.gz LXXHXHUSRMBPCQ-RBSFLKMASA-N 2 2 351.451 -0.828 20 30 FBEDLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001208405150 844096255 /nfs/dbraw/zinc/09/62/55/844096255.db2.gz LXXHXHUSRMBPCQ-RBSFLKMASA-N 2 2 351.451 -0.828 20 30 FBEDLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001208405150 844096243 /nfs/dbraw/zinc/09/62/43/844096243.db2.gz LXXHXHUSRMBPCQ-RBSFLKMASA-N 2 2 351.451 -0.828 20 30 FBEDLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001208405150 844096232 /nfs/dbraw/zinc/09/62/32/844096232.db2.gz LXXHXHUSRMBPCQ-RBSFLKMASA-N 2 2 351.451 -0.828 20 30 FBEDLP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405214 844095486 /nfs/dbraw/zinc/09/54/86/844095486.db2.gz OAEKDSWXXVILBM-BZUAXINKSA-N 2 2 352.479 -0.166 20 30 FBEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405214 844095475 /nfs/dbraw/zinc/09/54/75/844095475.db2.gz OAEKDSWXXVILBM-BZUAXINKSA-N 2 2 352.479 -0.166 20 30 FBEDLP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001208405214 844095466 /nfs/dbraw/zinc/09/54/66/844095466.db2.gz OAEKDSWXXVILBM-BZUAXINKSA-N 2 2 352.479 -0.166 20 30 FBEDLP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001208405214 844095457 /nfs/dbraw/zinc/09/54/57/844095457.db2.gz OAEKDSWXXVILBM-BZUAXINKSA-N 2 2 352.479 -0.166 20 30 FBEDLP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405215 844094503 /nfs/dbraw/zinc/09/45/03/844094503.db2.gz OAEKDSWXXVILBM-OAGGEKHMSA-N 2 2 352.479 -0.166 20 30 FBEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405215 844094492 /nfs/dbraw/zinc/09/44/92/844094492.db2.gz OAEKDSWXXVILBM-OAGGEKHMSA-N 2 2 352.479 -0.166 20 30 FBEDLP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001208405215 844094482 /nfs/dbraw/zinc/09/44/82/844094482.db2.gz OAEKDSWXXVILBM-OAGGEKHMSA-N 2 2 352.479 -0.166 20 30 FBEDLP 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C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212407588 837361783 /nfs/dbraw/zinc/36/17/83/837361783.db2.gz BRJHTBISCPVPNL-RBSFLKMASA-N 2 2 352.479 -0.023 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212407592 837361624 /nfs/dbraw/zinc/36/16/24/837361624.db2.gz BRJHTBISCPVPNL-RRFJBIMHSA-N 2 2 352.479 -0.023 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212407592 837361612 /nfs/dbraw/zinc/36/16/12/837361612.db2.gz BRJHTBISCPVPNL-RRFJBIMHSA-N 2 2 352.479 -0.023 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212408508 837363238 /nfs/dbraw/zinc/36/32/38/837363238.db2.gz UAKNLVTUJPHSNR-RBSFLKMASA-N 2 2 350.463 -0.576 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212408508 837363221 /nfs/dbraw/zinc/36/32/21/837363221.db2.gz UAKNLVTUJPHSNR-RBSFLKMASA-N 2 2 350.463 -0.576 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212408509 837362371 /nfs/dbraw/zinc/36/23/71/837362371.db2.gz UAKNLVTUJPHSNR-RRFJBIMHSA-N 2 2 350.463 -0.576 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212408509 837362360 /nfs/dbraw/zinc/36/23/60/837362360.db2.gz UAKNLVTUJPHSNR-RRFJBIMHSA-N 2 2 350.463 -0.576 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418569 837368115 /nfs/dbraw/zinc/36/81/15/837368115.db2.gz JLWYGEOIKOCKLH-FVQBIDKESA-N 2 2 350.463 -0.576 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418569 837368110 /nfs/dbraw/zinc/36/81/10/837368110.db2.gz JLWYGEOIKOCKLH-FVQBIDKESA-N 2 2 350.463 -0.576 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418569 837368101 /nfs/dbraw/zinc/36/81/01/837368101.db2.gz JLWYGEOIKOCKLH-FVQBIDKESA-N 2 2 350.463 -0.576 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418569 837368093 /nfs/dbraw/zinc/36/80/93/837368093.db2.gz JLWYGEOIKOCKLH-FVQBIDKESA-N 2 2 350.463 -0.576 20 30 FBEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418570 837367992 /nfs/dbraw/zinc/36/79/92/837367992.db2.gz JLWYGEOIKOCKLH-NUEKZKHPSA-N 2 2 350.463 -0.576 20 30 FBEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418570 837367986 /nfs/dbraw/zinc/36/79/86/837367986.db2.gz JLWYGEOIKOCKLH-NUEKZKHPSA-N 2 2 350.463 -0.576 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418570 837367976 /nfs/dbraw/zinc/36/79/76/837367976.db2.gz JLWYGEOIKOCKLH-NUEKZKHPSA-N 2 2 350.463 -0.576 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418570 837367975 /nfs/dbraw/zinc/36/79/75/837367975.db2.gz JLWYGEOIKOCKLH-NUEKZKHPSA-N 2 2 350.463 -0.576 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212419194 837367673 /nfs/dbraw/zinc/36/76/73/837367673.db2.gz WCFGSCNCOPNIIH-FVQBIDKESA-N 2 2 352.479 -0.023 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212419194 837367668 /nfs/dbraw/zinc/36/76/68/837367668.db2.gz WCFGSCNCOPNIIH-FVQBIDKESA-N 2 2 352.479 -0.023 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212419194 837367658 /nfs/dbraw/zinc/36/76/58/837367658.db2.gz WCFGSCNCOPNIIH-FVQBIDKESA-N 2 2 352.479 -0.023 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212419194 837367646 /nfs/dbraw/zinc/36/76/46/837367646.db2.gz WCFGSCNCOPNIIH-FVQBIDKESA-N 2 2 352.479 -0.023 20 30 FBEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212419195 837367756 /nfs/dbraw/zinc/36/77/56/837367756.db2.gz WCFGSCNCOPNIIH-NUEKZKHPSA-N 2 2 352.479 -0.023 20 30 FBEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212419195 837367744 /nfs/dbraw/zinc/36/77/44/837367744.db2.gz WCFGSCNCOPNIIH-NUEKZKHPSA-N 2 2 352.479 -0.023 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212419195 837367735 /nfs/dbraw/zinc/36/77/35/837367735.db2.gz WCFGSCNCOPNIIH-NUEKZKHPSA-N 2 2 352.479 -0.023 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212419195 837367730 /nfs/dbraw/zinc/36/77/30/837367730.db2.gz WCFGSCNCOPNIIH-NUEKZKHPSA-N 2 2 352.479 -0.023 20 30 FBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCOC)C[C@H]1OC ZINC001212420064 837369724 /nfs/dbraw/zinc/36/97/24/837369724.db2.gz UKYOVXWGDOFDMA-IXDOHACOSA-N 2 2 353.463 -0.438 20 30 FBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCOC)C[C@H]1OC ZINC001212420064 837369714 /nfs/dbraw/zinc/36/97/14/837369714.db2.gz UKYOVXWGDOFDMA-IXDOHACOSA-N 2 2 353.463 -0.438 20 30 FBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1OC ZINC001212420064 837369706 /nfs/dbraw/zinc/36/97/06/837369706.db2.gz UKYOVXWGDOFDMA-IXDOHACOSA-N 2 2 353.463 -0.438 20 30 FBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@H]1OC ZINC001212420064 837369701 /nfs/dbraw/zinc/36/97/01/837369701.db2.gz UKYOVXWGDOFDMA-IXDOHACOSA-N 2 2 353.463 -0.438 20 30 FBEDLP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212427948 837393449 /nfs/dbraw/zinc/39/34/49/837393449.db2.gz IECWHUWTBVYSMN-ARFHVFGLSA-N 2 2 350.463 -0.574 20 30 FBEDLP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212427948 837393438 /nfs/dbraw/zinc/39/34/38/837393438.db2.gz IECWHUWTBVYSMN-ARFHVFGLSA-N 2 2 350.463 -0.574 20 30 FBEDLP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212427948 837393431 /nfs/dbraw/zinc/39/34/31/837393431.db2.gz IECWHUWTBVYSMN-ARFHVFGLSA-N 2 2 350.463 -0.574 20 30 FBEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212427948 837393421 /nfs/dbraw/zinc/39/34/21/837393421.db2.gz IECWHUWTBVYSMN-ARFHVFGLSA-N 2 2 350.463 -0.574 20 30 FBEDLP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212427949 837393140 /nfs/dbraw/zinc/39/31/40/837393140.db2.gz IECWHUWTBVYSMN-BZUAXINKSA-N 2 2 350.463 -0.574 20 30 FBEDLP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212427949 837393129 /nfs/dbraw/zinc/39/31/29/837393129.db2.gz IECWHUWTBVYSMN-BZUAXINKSA-N 2 2 350.463 -0.574 20 30 FBEDLP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212427949 837393117 /nfs/dbraw/zinc/39/31/17/837393117.db2.gz IECWHUWTBVYSMN-BZUAXINKSA-N 2 2 350.463 -0.574 20 30 FBEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212427949 837393109 /nfs/dbraw/zinc/39/31/09/837393109.db2.gz IECWHUWTBVYSMN-BZUAXINKSA-N 2 2 350.463 -0.574 20 30 FBEDLP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212428158 837394182 /nfs/dbraw/zinc/39/41/82/837394182.db2.gz QDAIQOHFNHNOMB-ARFHVFGLSA-N 2 2 352.479 -0.022 20 30 FBEDLP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212428158 837394169 /nfs/dbraw/zinc/39/41/69/837394169.db2.gz QDAIQOHFNHNOMB-ARFHVFGLSA-N 2 2 352.479 -0.022 20 30 FBEDLP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212428158 837394158 /nfs/dbraw/zinc/39/41/58/837394158.db2.gz QDAIQOHFNHNOMB-ARFHVFGLSA-N 2 2 352.479 -0.022 20 30 FBEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212428158 837394147 /nfs/dbraw/zinc/39/41/47/837394147.db2.gz QDAIQOHFNHNOMB-ARFHVFGLSA-N 2 2 352.479 -0.022 20 30 FBEDLP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212428159 837394442 /nfs/dbraw/zinc/39/44/42/837394442.db2.gz QDAIQOHFNHNOMB-BZUAXINKSA-N 2 2 352.479 -0.022 20 30 FBEDLP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212428159 837394432 /nfs/dbraw/zinc/39/44/32/837394432.db2.gz QDAIQOHFNHNOMB-BZUAXINKSA-N 2 2 352.479 -0.022 20 30 FBEDLP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212428159 837394425 /nfs/dbraw/zinc/39/44/25/837394425.db2.gz QDAIQOHFNHNOMB-BZUAXINKSA-N 2 2 352.479 -0.022 20 30 FBEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212428159 837394417 /nfs/dbraw/zinc/39/44/17/837394417.db2.gz QDAIQOHFNHNOMB-BZUAXINKSA-N 2 2 352.479 -0.022 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483491 837544074 /nfs/dbraw/zinc/54/40/74/837544074.db2.gz KBDPQOXHQMFFSX-RBSFLKMASA-N 2 2 352.479 -0.330 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483491 837544073 /nfs/dbraw/zinc/54/40/73/837544073.db2.gz KBDPQOXHQMFFSX-RBSFLKMASA-N 2 2 352.479 -0.330 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1 ZINC001212483491 837544062 /nfs/dbraw/zinc/54/40/62/837544062.db2.gz KBDPQOXHQMFFSX-RBSFLKMASA-N 2 2 352.479 -0.330 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483492 837543418 /nfs/dbraw/zinc/54/34/18/837543418.db2.gz KBDPQOXHQMFFSX-RRFJBIMHSA-N 2 2 352.479 -0.330 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483492 837543409 /nfs/dbraw/zinc/54/34/09/837543409.db2.gz KBDPQOXHQMFFSX-RRFJBIMHSA-N 2 2 352.479 -0.330 20 30 FBEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1 ZINC001212483492 837543390 /nfs/dbraw/zinc/54/33/90/837543390.db2.gz KBDPQOXHQMFFSX-RRFJBIMHSA-N 2 2 352.479 -0.330 20 30 FBEDLP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001213327154 844275063 /nfs/dbraw/zinc/27/50/63/844275063.db2.gz ACODUTFYHZTZQJ-CAOSSQGBSA-N 2 2 352.479 -0.166 20 30 FBEDLP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001213327154 844275058 /nfs/dbraw/zinc/27/50/58/844275058.db2.gz ACODUTFYHZTZQJ-CAOSSQGBSA-N 2 2 352.479 -0.166 20 30 FBEDLP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001213327154 844275048 /nfs/dbraw/zinc/27/50/48/844275048.db2.gz ACODUTFYHZTZQJ-CAOSSQGBSA-N 2 2 352.479 -0.166 20 30 FBEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001213327154 844275042 /nfs/dbraw/zinc/27/50/42/844275042.db2.gz ACODUTFYHZTZQJ-CAOSSQGBSA-N 2 2 352.479 -0.166 20 30 FBEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213328842 844277033 /nfs/dbraw/zinc/27/70/33/844277033.db2.gz CTMGTUOXQBAKNZ-BRWVUGGUSA-N 2 2 353.463 -0.439 20 30 FBEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213328842 844277020 /nfs/dbraw/zinc/27/70/20/844277020.db2.gz CTMGTUOXQBAKNZ-BRWVUGGUSA-N 2 2 353.463 -0.439 20 30 FBEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213328842 844277012 /nfs/dbraw/zinc/27/70/12/844277012.db2.gz CTMGTUOXQBAKNZ-BRWVUGGUSA-N 2 2 353.463 -0.439 20 30 FBEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213328842 844277007 /nfs/dbraw/zinc/27/70/07/844277007.db2.gz CTMGTUOXQBAKNZ-BRWVUGGUSA-N 2 2 353.463 -0.439 20 30 FBEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213328843 844276846 /nfs/dbraw/zinc/27/68/46/844276846.db2.gz CTMGTUOXQBAKNZ-ZACQAIPSSA-N 2 2 353.463 -0.439 20 30 FBEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213328843 844276838 /nfs/dbraw/zinc/27/68/38/844276838.db2.gz CTMGTUOXQBAKNZ-ZACQAIPSSA-N 2 2 353.463 -0.439 20 30 FBEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213328843 844276831 /nfs/dbraw/zinc/27/68/31/844276831.db2.gz CTMGTUOXQBAKNZ-ZACQAIPSSA-N 2 2 353.463 -0.439 20 30 FBEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213328843 844276828 /nfs/dbraw/zinc/27/68/28/844276828.db2.gz CTMGTUOXQBAKNZ-ZACQAIPSSA-N 2 2 353.463 -0.439 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342372 844279673 /nfs/dbraw/zinc/27/96/73/844279673.db2.gz UCNMFSHOMIXGRX-RBSFLKMASA-N 2 2 350.463 -0.719 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342372 844279662 /nfs/dbraw/zinc/27/96/62/844279662.db2.gz UCNMFSHOMIXGRX-RBSFLKMASA-N 2 2 350.463 -0.719 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342373 844279882 /nfs/dbraw/zinc/27/98/82/844279882.db2.gz UCNMFSHOMIXGRX-RRFJBIMHSA-N 2 2 350.463 -0.719 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342373 844279872 /nfs/dbraw/zinc/27/98/72/844279872.db2.gz UCNMFSHOMIXGRX-RRFJBIMHSA-N 2 2 350.463 -0.719 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342415 844280014 /nfs/dbraw/zinc/28/00/14/844280014.db2.gz VZFVOLZGASJQNY-RBSFLKMASA-N 2 2 352.479 -0.166 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342415 844280004 /nfs/dbraw/zinc/28/00/04/844280004.db2.gz VZFVOLZGASJQNY-RBSFLKMASA-N 2 2 352.479 -0.166 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342416 844280119 /nfs/dbraw/zinc/28/01/19/844280119.db2.gz VZFVOLZGASJQNY-RRFJBIMHSA-N 2 2 352.479 -0.166 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342416 844280115 /nfs/dbraw/zinc/28/01/15/844280115.db2.gz VZFVOLZGASJQNY-RRFJBIMHSA-N 2 2 352.479 -0.166 20 30 FBEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C2)C1=O ZINC001213348827 844280846 /nfs/dbraw/zinc/28/08/46/844280846.db2.gz WLIADJWCMCCVKV-BZUAXINKSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C2)C1=O ZINC001213348827 844280835 /nfs/dbraw/zinc/28/08/35/844280835.db2.gz WLIADJWCMCCVKV-BZUAXINKSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C2)C1=O ZINC001213348829 844281138 /nfs/dbraw/zinc/28/11/38/844281138.db2.gz WLIADJWCMCCVKV-OWCLPIDISA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C2)C1=O ZINC001213348829 844281128 /nfs/dbraw/zinc/28/11/28/844281128.db2.gz WLIADJWCMCCVKV-OWCLPIDISA-N 2 2 352.479 -0.070 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213368474 844284379 /nfs/dbraw/zinc/28/43/79/844284379.db2.gz BOJHAMQZEKUSGJ-FVQBIDKESA-N 2 2 350.463 -0.719 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213368474 844284372 /nfs/dbraw/zinc/28/43/72/844284372.db2.gz BOJHAMQZEKUSGJ-FVQBIDKESA-N 2 2 350.463 -0.719 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213368475 844284601 /nfs/dbraw/zinc/28/46/01/844284601.db2.gz BOJHAMQZEKUSGJ-NUEKZKHPSA-N 2 2 350.463 -0.719 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213368475 844284594 /nfs/dbraw/zinc/28/45/94/844284594.db2.gz BOJHAMQZEKUSGJ-NUEKZKHPSA-N 2 2 350.463 -0.719 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213368851 844284320 /nfs/dbraw/zinc/28/43/20/844284320.db2.gz JYDVCNGGPWOZKJ-FVQBIDKESA-N 2 2 352.479 -0.166 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213368851 844284313 /nfs/dbraw/zinc/28/43/13/844284313.db2.gz JYDVCNGGPWOZKJ-FVQBIDKESA-N 2 2 352.479 -0.166 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213368854 844284680 /nfs/dbraw/zinc/28/46/80/844284680.db2.gz JYDVCNGGPWOZKJ-NUEKZKHPSA-N 2 2 352.479 -0.166 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213368854 844284673 /nfs/dbraw/zinc/28/46/73/844284673.db2.gz JYDVCNGGPWOZKJ-NUEKZKHPSA-N 2 2 352.479 -0.166 20 30 FBEDLP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213370350 844285308 /nfs/dbraw/zinc/28/53/08/844285308.db2.gz FZQIPOIKCLMBDK-HUUCEWRRSA-N 2 2 353.467 -0.484 20 30 FBEDLP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213370350 844285300 /nfs/dbraw/zinc/28/53/00/844285300.db2.gz FZQIPOIKCLMBDK-HUUCEWRRSA-N 2 2 353.467 -0.484 20 30 FBEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374376 844285380 /nfs/dbraw/zinc/28/53/80/844285380.db2.gz DQTHBOMLTPSRKQ-HZPDHXFCSA-N 2 2 352.479 -0.046 20 30 FBEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374376 844285373 /nfs/dbraw/zinc/28/53/73/844285373.db2.gz DQTHBOMLTPSRKQ-HZPDHXFCSA-N 2 2 352.479 -0.046 20 30 FBEDLP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526252 844318488 /nfs/dbraw/zinc/31/84/88/844318488.db2.gz DHJFLXNHSIGTIR-HZPDHXFCSA-N 2 2 352.479 -0.164 20 30 FBEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526252 844318482 /nfs/dbraw/zinc/31/84/82/844318482.db2.gz DHJFLXNHSIGTIR-HZPDHXFCSA-N 2 2 352.479 -0.164 20 30 FBEDLP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526529 844317878 /nfs/dbraw/zinc/31/78/78/844317878.db2.gz OYUCLGCMUZRICM-HZPDHXFCSA-N 2 2 350.463 -0.717 20 30 FBEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526529 844317868 /nfs/dbraw/zinc/31/78/68/844317868.db2.gz OYUCLGCMUZRICM-HZPDHXFCSA-N 2 2 350.463 -0.717 20 30 FBEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C2)C1=O ZINC001213596928 844340473 /nfs/dbraw/zinc/34/04/73/844340473.db2.gz QRTGAKYPHUKHPF-BZUAXINKSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C2)C1=O ZINC001213596928 844340461 /nfs/dbraw/zinc/34/04/61/844340461.db2.gz QRTGAKYPHUKHPF-BZUAXINKSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C2)C1=O ZINC001213596929 844339712 /nfs/dbraw/zinc/33/97/12/844339712.db2.gz QRTGAKYPHUKHPF-OWCLPIDISA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C2)C1=O ZINC001213596929 844339702 /nfs/dbraw/zinc/33/97/02/844339702.db2.gz QRTGAKYPHUKHPF-OWCLPIDISA-N 2 2 352.479 -0.070 20 30 FBEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638144 844346536 /nfs/dbraw/zinc/34/65/36/844346536.db2.gz ALWLUFRQNRBGOO-IAGOWNOFSA-N 2 2 353.463 -0.438 20 30 FBEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638144 844346524 /nfs/dbraw/zinc/34/65/24/844346524.db2.gz ALWLUFRQNRBGOO-IAGOWNOFSA-N 2 2 353.463 -0.438 20 30 FBEDLP 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C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C2)C1=O ZINC001213678423 844358862 /nfs/dbraw/zinc/35/88/62/844358862.db2.gz VNWXQECPFAQJQC-OWCLPIDISA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCN1CC[C@H]([NH+]2C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C2)C1=O ZINC001213678423 844358852 /nfs/dbraw/zinc/35/88/52/844358852.db2.gz VNWXQECPFAQJQC-OWCLPIDISA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCN1CC[C@H]([NH+]2C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C2)C1=O ZINC001213678423 844358838 /nfs/dbraw/zinc/35/88/38/844358838.db2.gz VNWXQECPFAQJQC-OWCLPIDISA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213719212 844370489 /nfs/dbraw/zinc/37/04/89/844370489.db2.gz RYKXOJGCCMRJQF-RBSFLKMASA-N 2 2 356.467 -0.929 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213719212 844370478 /nfs/dbraw/zinc/37/04/78/844370478.db2.gz RYKXOJGCCMRJQF-RBSFLKMASA-N 2 2 356.467 -0.929 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213719213 844370179 /nfs/dbraw/zinc/37/01/79/844370179.db2.gz RYKXOJGCCMRJQF-RRFJBIMHSA-N 2 2 356.467 -0.929 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213719213 844370166 /nfs/dbraw/zinc/37/01/66/844370166.db2.gz RYKXOJGCCMRJQF-RRFJBIMHSA-N 2 2 356.467 -0.929 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213728109 844371673 /nfs/dbraw/zinc/37/16/73/844371673.db2.gz AIXGSDYUOWHICJ-RBSFLKMASA-N 2 2 350.463 -0.412 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213728109 844371668 /nfs/dbraw/zinc/37/16/68/844371668.db2.gz AIXGSDYUOWHICJ-RBSFLKMASA-N 2 2 350.463 -0.412 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213728110 844371473 /nfs/dbraw/zinc/37/14/73/844371473.db2.gz AIXGSDYUOWHICJ-RRFJBIMHSA-N 2 2 350.463 -0.412 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213728110 844371460 /nfs/dbraw/zinc/37/14/60/844371460.db2.gz AIXGSDYUOWHICJ-RRFJBIMHSA-N 2 2 350.463 -0.412 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747887 844378512 /nfs/dbraw/zinc/37/85/12/844378512.db2.gz UXIBGAKQGAVZCG-ARFHVFGLSA-N 2 2 352.479 -0.328 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747887 844378499 /nfs/dbraw/zinc/37/84/99/844378499.db2.gz UXIBGAKQGAVZCG-ARFHVFGLSA-N 2 2 352.479 -0.328 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747888 844378940 /nfs/dbraw/zinc/37/89/40/844378940.db2.gz UXIBGAKQGAVZCG-BZUAXINKSA-N 2 2 352.479 -0.328 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747888 844378929 /nfs/dbraw/zinc/37/89/29/844378929.db2.gz UXIBGAKQGAVZCG-BZUAXINKSA-N 2 2 352.479 -0.328 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213765016 844381757 /nfs/dbraw/zinc/38/17/57/844381757.db2.gz PYWUBNLYICROEF-ARFHVFGLSA-N 2 2 352.479 -0.328 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213765016 844381744 /nfs/dbraw/zinc/38/17/44/844381744.db2.gz PYWUBNLYICROEF-ARFHVFGLSA-N 2 2 352.479 -0.328 20 30 FBEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C1 ZINC001213765016 844381734 /nfs/dbraw/zinc/38/17/34/844381734.db2.gz PYWUBNLYICROEF-ARFHVFGLSA-N 2 2 352.479 -0.328 20 30 FBEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213765016 844381721 /nfs/dbraw/zinc/38/17/21/844381721.db2.gz PYWUBNLYICROEF-ARFHVFGLSA-N 2 2 352.479 -0.328 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213765017 844381935 /nfs/dbraw/zinc/38/19/35/844381935.db2.gz PYWUBNLYICROEF-BZUAXINKSA-N 2 2 352.479 -0.328 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213765017 844381923 /nfs/dbraw/zinc/38/19/23/844381923.db2.gz PYWUBNLYICROEF-BZUAXINKSA-N 2 2 352.479 -0.328 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C1 ZINC001213765017 844381918 /nfs/dbraw/zinc/38/19/18/844381918.db2.gz PYWUBNLYICROEF-BZUAXINKSA-N 2 2 352.479 -0.328 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213765017 844381906 /nfs/dbraw/zinc/38/19/06/844381906.db2.gz PYWUBNLYICROEF-BZUAXINKSA-N 2 2 352.479 -0.328 20 30 FBEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C2)C1=O ZINC001213767360 844382762 /nfs/dbraw/zinc/38/27/62/844382762.db2.gz PQCSUQBBOYUDRB-BZUAXINKSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C2)C1=O ZINC001213767360 844382751 /nfs/dbraw/zinc/38/27/51/844382751.db2.gz PQCSUQBBOYUDRB-BZUAXINKSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCN1CC[C@@H]([NH+]2C[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](OC)C2)C1=O ZINC001213767360 844382740 /nfs/dbraw/zinc/38/27/40/844382740.db2.gz PQCSUQBBOYUDRB-BZUAXINKSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCN1CC[C@@H]([NH+]2C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](OC)C2)C1=O ZINC001213767360 844382731 /nfs/dbraw/zinc/38/27/31/844382731.db2.gz PQCSUQBBOYUDRB-BZUAXINKSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C2)C1=O ZINC001213767361 844383051 /nfs/dbraw/zinc/38/30/51/844383051.db2.gz PQCSUQBBOYUDRB-OWCLPIDISA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C2)C1=O ZINC001213767361 844383040 /nfs/dbraw/zinc/38/30/40/844383040.db2.gz PQCSUQBBOYUDRB-OWCLPIDISA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCN1CC[C@H]([NH+]2C[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](OC)C2)C1=O ZINC001213767361 844383029 /nfs/dbraw/zinc/38/30/29/844383029.db2.gz PQCSUQBBOYUDRB-OWCLPIDISA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCN1CC[C@H]([NH+]2C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](OC)C2)C1=O ZINC001213767361 844383018 /nfs/dbraw/zinc/38/30/18/844383018.db2.gz PQCSUQBBOYUDRB-OWCLPIDISA-N 2 2 352.479 -0.070 20 30 FBEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863365 844404045 /nfs/dbraw/zinc/40/40/45/844404045.db2.gz KXLBSTIRDDOSJZ-BRWVUGGUSA-N 2 2 353.463 -0.580 20 30 FBEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863365 844404043 /nfs/dbraw/zinc/40/40/43/844404043.db2.gz KXLBSTIRDDOSJZ-BRWVUGGUSA-N 2 2 353.463 -0.580 20 30 FBEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863366 844404364 /nfs/dbraw/zinc/40/43/64/844404364.db2.gz KXLBSTIRDDOSJZ-GVDBMIGSSA-N 2 2 353.463 -0.580 20 30 FBEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863366 844404360 /nfs/dbraw/zinc/40/43/60/844404360.db2.gz KXLBSTIRDDOSJZ-GVDBMIGSSA-N 2 2 353.463 -0.580 20 30 FBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)NCC)C[C@H]2OC)CC1 ZINC001213914551 844416563 /nfs/dbraw/zinc/41/65/63/844416563.db2.gz KYMGZOOUKFPMRQ-HZPDHXFCSA-N 2 2 350.463 -0.717 20 30 FBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)NCC)C[C@H]2OC)CC1 ZINC001213914551 844416558 /nfs/dbraw/zinc/41/65/58/844416558.db2.gz KYMGZOOUKFPMRQ-HZPDHXFCSA-N 2 2 350.463 -0.717 20 30 FBEDLP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213916641 844416679 /nfs/dbraw/zinc/41/66/79/844416679.db2.gz BJCPPLVEUGNTRU-HZPDHXFCSA-N 2 2 350.463 -0.573 20 30 FBEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213916641 844416674 /nfs/dbraw/zinc/41/66/74/844416674.db2.gz BJCPPLVEUGNTRU-HZPDHXFCSA-N 2 2 350.463 -0.573 20 30 FBEDLP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213916987 844417849 /nfs/dbraw/zinc/41/78/49/844417849.db2.gz VFJGJDUNRDPPPJ-HZPDHXFCSA-N 2 2 352.479 -0.020 20 30 FBEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213916987 844417845 /nfs/dbraw/zinc/41/78/45/844417845.db2.gz VFJGJDUNRDPPPJ-HZPDHXFCSA-N 2 2 352.479 -0.020 20 30 FBEDLP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213920241 844418715 /nfs/dbraw/zinc/41/87/15/844418715.db2.gz TUEFYEUJWHLSAN-HZPDHXFCSA-N 2 2 352.479 -0.020 20 30 FBEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213920241 844418710 /nfs/dbraw/zinc/41/87/10/844418710.db2.gz TUEFYEUJWHLSAN-HZPDHXFCSA-N 2 2 352.479 -0.020 20 30 FBEDLP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213921745 844418544 /nfs/dbraw/zinc/41/85/44/844418544.db2.gz JQMAWVPHVNHPKI-HZPDHXFCSA-N 2 2 350.463 -0.573 20 30 FBEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213921745 844418538 /nfs/dbraw/zinc/41/85/38/844418538.db2.gz JQMAWVPHVNHPKI-HZPDHXFCSA-N 2 2 350.463 -0.573 20 30 FBEDLP C=CCN1CC[C@@H]([NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C2)C1=O ZINC001213929623 844421057 /nfs/dbraw/zinc/42/10/57/844421057.db2.gz DYYHPPZMFFBWHR-BZUAXINKSA-N 2 2 352.479 -0.071 20 30 FBEDLP C=CCN1CC[C@@H]([NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C2)C1=O ZINC001213929623 844421052 /nfs/dbraw/zinc/42/10/52/844421052.db2.gz DYYHPPZMFFBWHR-BZUAXINKSA-N 2 2 352.479 -0.071 20 30 FBEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C2)C1=O ZINC001213929623 844421047 /nfs/dbraw/zinc/42/10/47/844421047.db2.gz DYYHPPZMFFBWHR-BZUAXINKSA-N 2 2 352.479 -0.071 20 30 FBEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C2)C1=O ZINC001213929623 844421041 /nfs/dbraw/zinc/42/10/41/844421041.db2.gz DYYHPPZMFFBWHR-BZUAXINKSA-N 2 2 352.479 -0.071 20 30 FBEDLP C=CCN1CC[C@H]([NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C2)C1=O ZINC001213929624 844421176 /nfs/dbraw/zinc/42/11/76/844421176.db2.gz DYYHPPZMFFBWHR-OWCLPIDISA-N 2 2 352.479 -0.071 20 30 FBEDLP C=CCN1CC[C@H]([NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C2)C1=O ZINC001213929624 844421174 /nfs/dbraw/zinc/42/11/74/844421174.db2.gz DYYHPPZMFFBWHR-OWCLPIDISA-N 2 2 352.479 -0.071 20 30 FBEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C2)C1=O ZINC001213929624 844421171 /nfs/dbraw/zinc/42/11/71/844421171.db2.gz DYYHPPZMFFBWHR-OWCLPIDISA-N 2 2 352.479 -0.071 20 30 FBEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C2)C1=O ZINC001213929624 844421166 /nfs/dbraw/zinc/42/11/66/844421166.db2.gz DYYHPPZMFFBWHR-OWCLPIDISA-N 2 2 352.479 -0.071 20 30 FBEDLP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218162507 844694489 /nfs/dbraw/zinc/69/44/89/844694489.db2.gz PFDWZGIFIYFSBP-YYIAUSFCSA-N 2 2 353.463 -0.180 20 30 FBEDLP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218162507 844694486 /nfs/dbraw/zinc/69/44/86/844694486.db2.gz PFDWZGIFIYFSBP-YYIAUSFCSA-N 2 2 353.463 -0.180 20 30 FBEDLP C=CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218162507 844694482 /nfs/dbraw/zinc/69/44/82/844694482.db2.gz PFDWZGIFIYFSBP-YYIAUSFCSA-N 2 2 353.463 -0.180 20 30 FBEDLP C=CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218162507 844694478 /nfs/dbraw/zinc/69/44/78/844694478.db2.gz PFDWZGIFIYFSBP-YYIAUSFCSA-N 2 2 353.463 -0.180 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557487 844714808 /nfs/dbraw/zinc/71/48/08/844714808.db2.gz AFQONKMMWAPOSQ-HRCADAONSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557487 844714801 /nfs/dbraw/zinc/71/48/01/844714801.db2.gz AFQONKMMWAPOSQ-HRCADAONSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557488 844715366 /nfs/dbraw/zinc/71/53/66/844715366.db2.gz AFQONKMMWAPOSQ-OWCLPIDISA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557488 844715363 /nfs/dbraw/zinc/71/53/63/844715363.db2.gz AFQONKMMWAPOSQ-OWCLPIDISA-N 2 2 352.479 -0.070 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218558086 844715281 /nfs/dbraw/zinc/71/52/81/844715281.db2.gz SKKLDURDHUZKCN-HRCADAONSA-N 2 2 350.463 -0.622 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218558086 844715278 /nfs/dbraw/zinc/71/52/78/844715278.db2.gz SKKLDURDHUZKCN-HRCADAONSA-N 2 2 350.463 -0.622 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218558087 844715108 /nfs/dbraw/zinc/71/51/08/844715108.db2.gz SKKLDURDHUZKCN-OWCLPIDISA-N 2 2 350.463 -0.622 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218558087 844715101 /nfs/dbraw/zinc/71/51/01/844715101.db2.gz SKKLDURDHUZKCN-OWCLPIDISA-N 2 2 350.463 -0.622 20 30 FBEDLP CS(=O)(=O)c1ccc(-n2ncc(C#N)c2NC(=O)[C@@H]([NH3+])CC[NH3+])cc1 ZINC001218723471 844730444 /nfs/dbraw/zinc/73/04/44/844730444.db2.gz ZOMCRNBTYIBZHO-ZDUSSCGKSA-N 2 2 362.415 -0.238 20 30 FBEDLP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789129 844736639 /nfs/dbraw/zinc/73/66/39/844736639.db2.gz APNOLRGDPYXXNZ-DLBZAZTESA-N 2 2 353.463 -0.177 20 30 FBEDLP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789129 844736634 /nfs/dbraw/zinc/73/66/34/844736634.db2.gz APNOLRGDPYXXNZ-DLBZAZTESA-N 2 2 353.463 -0.177 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819572 844739862 /nfs/dbraw/zinc/73/98/62/844739862.db2.gz KOEGLNUEMRKDME-HRCADAONSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819572 844739858 /nfs/dbraw/zinc/73/98/58/844739858.db2.gz KOEGLNUEMRKDME-HRCADAONSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819573 844739577 /nfs/dbraw/zinc/73/95/77/844739577.db2.gz KOEGLNUEMRKDME-OWCLPIDISA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819573 844739571 /nfs/dbraw/zinc/73/95/71/844739571.db2.gz KOEGLNUEMRKDME-OWCLPIDISA-N 2 2 352.479 -0.070 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819915 844739661 /nfs/dbraw/zinc/73/96/61/844739661.db2.gz RSGBXYRCCRLPGE-HRCADAONSA-N 2 2 350.463 -0.622 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819915 844739652 /nfs/dbraw/zinc/73/96/52/844739652.db2.gz RSGBXYRCCRLPGE-HRCADAONSA-N 2 2 350.463 -0.622 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819916 844740093 /nfs/dbraw/zinc/74/00/93/844740093.db2.gz RSGBXYRCCRLPGE-OWCLPIDISA-N 2 2 350.463 -0.622 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819916 844740087 /nfs/dbraw/zinc/74/00/87/844740087.db2.gz RSGBXYRCCRLPGE-OWCLPIDISA-N 2 2 350.463 -0.622 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218905280 844745839 /nfs/dbraw/zinc/74/58/39/844745839.db2.gz PBHMEXDNJLFCMK-HRCADAONSA-N 2 2 350.463 -0.622 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218905280 844745837 /nfs/dbraw/zinc/74/58/37/844745837.db2.gz PBHMEXDNJLFCMK-HRCADAONSA-N 2 2 350.463 -0.622 20 30 FBEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CC)[C@H]2C1 ZINC001218905280 844745831 /nfs/dbraw/zinc/74/58/31/844745831.db2.gz PBHMEXDNJLFCMK-HRCADAONSA-N 2 2 350.463 -0.622 20 30 FBEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CC)[C@H]2C1 ZINC001218905280 844745828 /nfs/dbraw/zinc/74/58/28/844745828.db2.gz PBHMEXDNJLFCMK-HRCADAONSA-N 2 2 350.463 -0.622 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218905281 844746681 /nfs/dbraw/zinc/74/66/81/844746681.db2.gz PBHMEXDNJLFCMK-OWCLPIDISA-N 2 2 350.463 -0.622 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218905281 844746680 /nfs/dbraw/zinc/74/66/80/844746680.db2.gz PBHMEXDNJLFCMK-OWCLPIDISA-N 2 2 350.463 -0.622 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CC)[C@H]2C1 ZINC001218905281 844746676 /nfs/dbraw/zinc/74/66/76/844746676.db2.gz PBHMEXDNJLFCMK-OWCLPIDISA-N 2 2 350.463 -0.622 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CC)[C@H]2C1 ZINC001218905281 844746673 /nfs/dbraw/zinc/74/66/73/844746673.db2.gz PBHMEXDNJLFCMK-OWCLPIDISA-N 2 2 350.463 -0.622 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218905852 844746620 /nfs/dbraw/zinc/74/66/20/844746620.db2.gz YYOPZQLEOQBJFO-HRCADAONSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218905852 844746615 /nfs/dbraw/zinc/74/66/15/844746615.db2.gz YYOPZQLEOQBJFO-HRCADAONSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CC)[C@H]2C1 ZINC001218905852 844746611 /nfs/dbraw/zinc/74/66/11/844746611.db2.gz YYOPZQLEOQBJFO-HRCADAONSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CC)[C@H]2C1 ZINC001218905852 844746608 /nfs/dbraw/zinc/74/66/08/844746608.db2.gz YYOPZQLEOQBJFO-HRCADAONSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218905853 844746299 /nfs/dbraw/zinc/74/62/99/844746299.db2.gz YYOPZQLEOQBJFO-OWCLPIDISA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218905853 844746291 /nfs/dbraw/zinc/74/62/91/844746291.db2.gz YYOPZQLEOQBJFO-OWCLPIDISA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CC)[C@H]2C1 ZINC001218905853 844746283 /nfs/dbraw/zinc/74/62/83/844746283.db2.gz YYOPZQLEOQBJFO-OWCLPIDISA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CC)[C@H]2C1 ZINC001218905853 844746271 /nfs/dbraw/zinc/74/62/71/844746271.db2.gz YYOPZQLEOQBJFO-OWCLPIDISA-N 2 2 352.479 -0.070 20 30 FBEDLP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001219042941 844764969 /nfs/dbraw/zinc/76/49/69/844764969.db2.gz UXHHINAJWQNCER-BBWFWOEESA-N 2 2 353.463 -0.179 20 30 FBEDLP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001219042941 844764960 /nfs/dbraw/zinc/76/49/60/844764960.db2.gz UXHHINAJWQNCER-BBWFWOEESA-N 2 2 353.463 -0.179 20 30 FBEDLP C=CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@H]2C1 ZINC001219042941 844764956 /nfs/dbraw/zinc/76/49/56/844764956.db2.gz UXHHINAJWQNCER-BBWFWOEESA-N 2 2 353.463 -0.179 20 30 FBEDLP C=CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@H]2C1 ZINC001219042941 844764946 /nfs/dbraw/zinc/76/49/46/844764946.db2.gz UXHHINAJWQNCER-BBWFWOEESA-N 2 2 353.463 -0.179 20 30 FBEDLP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001219042942 844764453 /nfs/dbraw/zinc/76/44/53/844764453.db2.gz UXHHINAJWQNCER-GVDBMIGSSA-N 2 2 353.463 -0.179 20 30 FBEDLP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001219042942 844764448 /nfs/dbraw/zinc/76/44/48/844764448.db2.gz UXHHINAJWQNCER-GVDBMIGSSA-N 2 2 353.463 -0.179 20 30 FBEDLP C=CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@H]2C1 ZINC001219042942 844764444 /nfs/dbraw/zinc/76/44/44/844764444.db2.gz UXHHINAJWQNCER-GVDBMIGSSA-N 2 2 353.463 -0.179 20 30 FBEDLP C=CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@H]2C1 ZINC001219042942 844764437 /nfs/dbraw/zinc/76/44/37/844764437.db2.gz UXHHINAJWQNCER-GVDBMIGSSA-N 2 2 353.463 -0.179 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219052155 844765618 /nfs/dbraw/zinc/76/56/18/844765618.db2.gz IMAMFNWBKKYTEU-HRCADAONSA-N 2 2 352.479 -0.071 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219052155 844765613 /nfs/dbraw/zinc/76/56/13/844765613.db2.gz IMAMFNWBKKYTEU-HRCADAONSA-N 2 2 352.479 -0.071 20 30 FBEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219052155 844765605 /nfs/dbraw/zinc/76/56/05/844765605.db2.gz IMAMFNWBKKYTEU-HRCADAONSA-N 2 2 352.479 -0.071 20 30 FBEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219052155 844765594 /nfs/dbraw/zinc/76/55/94/844765594.db2.gz IMAMFNWBKKYTEU-HRCADAONSA-N 2 2 352.479 -0.071 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219052156 844766268 /nfs/dbraw/zinc/76/62/68/844766268.db2.gz IMAMFNWBKKYTEU-OWCLPIDISA-N 2 2 352.479 -0.071 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219052156 844766260 /nfs/dbraw/zinc/76/62/60/844766260.db2.gz IMAMFNWBKKYTEU-OWCLPIDISA-N 2 2 352.479 -0.071 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219052156 844766251 /nfs/dbraw/zinc/76/62/51/844766251.db2.gz IMAMFNWBKKYTEU-OWCLPIDISA-N 2 2 352.479 -0.071 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219052156 844766241 /nfs/dbraw/zinc/76/62/41/844766241.db2.gz IMAMFNWBKKYTEU-OWCLPIDISA-N 2 2 352.479 -0.071 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219054627 844768393 /nfs/dbraw/zinc/76/83/93/844768393.db2.gz HPTYVNYMRXEHAE-HRCADAONSA-N 2 2 350.463 -0.624 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219054627 844768391 /nfs/dbraw/zinc/76/83/91/844768391.db2.gz HPTYVNYMRXEHAE-HRCADAONSA-N 2 2 350.463 -0.624 20 30 FBEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219054627 844768386 /nfs/dbraw/zinc/76/83/86/844768386.db2.gz HPTYVNYMRXEHAE-HRCADAONSA-N 2 2 350.463 -0.624 20 30 FBEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219054627 844768382 /nfs/dbraw/zinc/76/83/82/844768382.db2.gz HPTYVNYMRXEHAE-HRCADAONSA-N 2 2 350.463 -0.624 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219054628 844768488 /nfs/dbraw/zinc/76/84/88/844768488.db2.gz HPTYVNYMRXEHAE-OWCLPIDISA-N 2 2 350.463 -0.624 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219054628 844768485 /nfs/dbraw/zinc/76/84/85/844768485.db2.gz HPTYVNYMRXEHAE-OWCLPIDISA-N 2 2 350.463 -0.624 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219054628 844768481 /nfs/dbraw/zinc/76/84/81/844768481.db2.gz HPTYVNYMRXEHAE-OWCLPIDISA-N 2 2 350.463 -0.624 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219054628 844768477 /nfs/dbraw/zinc/76/84/77/844768477.db2.gz HPTYVNYMRXEHAE-OWCLPIDISA-N 2 2 350.463 -0.624 20 30 FBEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800717 844997393 /nfs/dbraw/zinc/99/73/93/844997393.db2.gz UZFAXTFKSKHPTA-OAGGEKHMSA-N 2 2 351.451 -0.823 20 30 FBEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800717 844997389 /nfs/dbraw/zinc/99/73/89/844997389.db2.gz UZFAXTFKSKHPTA-OAGGEKHMSA-N 2 2 351.451 -0.823 20 30 FBEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800718 844996752 /nfs/dbraw/zinc/99/67/52/844996752.db2.gz UZFAXTFKSKHPTA-PMPSAXMXSA-N 2 2 351.451 -0.823 20 30 FBEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800718 844996745 /nfs/dbraw/zinc/99/67/45/844996745.db2.gz UZFAXTFKSKHPTA-PMPSAXMXSA-N 2 2 351.451 -0.823 20 30 FBEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)C1=O ZINC001219802009 844998971 /nfs/dbraw/zinc/99/89/71/844998971.db2.gz CNWFVRFZSPFCDZ-ILXRZTDVSA-N 2 2 350.463 -0.581 20 30 FBEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)C1=O ZINC001219802010 844998790 /nfs/dbraw/zinc/99/87/90/844998790.db2.gz CNWFVRFZSPFCDZ-KFWWJZLASA-N 2 2 350.463 -0.581 20 30 FBEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)C1=O ZINC001219814050 845005610 /nfs/dbraw/zinc/00/56/10/845005610.db2.gz QAINVRFHYZVWPS-OAGGEKHMSA-N 2 2 350.463 -0.581 20 30 FBEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)C1=O ZINC001219814050 845005608 /nfs/dbraw/zinc/00/56/08/845005608.db2.gz QAINVRFHYZVWPS-OAGGEKHMSA-N 2 2 350.463 -0.581 20 30 FBEDLP C=CCN1CC[C@@H]([NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H](O)C2)C1=O ZINC001219814050 845005603 /nfs/dbraw/zinc/00/56/03/845005603.db2.gz QAINVRFHYZVWPS-OAGGEKHMSA-N 2 2 350.463 -0.581 20 30 FBEDLP C=CCN1CC[C@@H]([NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H](O)C2)C1=O ZINC001219814050 845005600 /nfs/dbraw/zinc/00/56/00/845005600.db2.gz QAINVRFHYZVWPS-OAGGEKHMSA-N 2 2 350.463 -0.581 20 30 FBEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)C1=O ZINC001219814051 845004557 /nfs/dbraw/zinc/00/45/57/845004557.db2.gz QAINVRFHYZVWPS-PMPSAXMXSA-N 2 2 350.463 -0.581 20 30 FBEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)C1=O ZINC001219814051 845004548 /nfs/dbraw/zinc/00/45/48/845004548.db2.gz QAINVRFHYZVWPS-PMPSAXMXSA-N 2 2 350.463 -0.581 20 30 FBEDLP C=CCN1CC[C@H]([NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H](O)C2)C1=O ZINC001219814051 845004544 /nfs/dbraw/zinc/00/45/44/845004544.db2.gz QAINVRFHYZVWPS-PMPSAXMXSA-N 2 2 350.463 -0.581 20 30 FBEDLP C=CCN1CC[C@H]([NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H](O)C2)C1=O ZINC001219814051 845004536 /nfs/dbraw/zinc/00/45/36/845004536.db2.gz QAINVRFHYZVWPS-PMPSAXMXSA-N 2 2 350.463 -0.581 20 30 FBEDLP 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FBEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220977961 845454619 /nfs/dbraw/zinc/45/46/19/845454619.db2.gz GZHZDEHLRHTVLO-OAGGEKHMSA-N 2 2 350.463 -0.700 20 30 FBEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220977961 845454615 /nfs/dbraw/zinc/45/46/15/845454615.db2.gz GZHZDEHLRHTVLO-OAGGEKHMSA-N 2 2 350.463 -0.700 20 30 FBEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220977962 845454960 /nfs/dbraw/zinc/45/49/60/845454960.db2.gz GZHZDEHLRHTVLO-XHSDSOJGSA-N 2 2 350.463 -0.700 20 30 FBEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220977962 845454950 /nfs/dbraw/zinc/45/49/50/845454950.db2.gz GZHZDEHLRHTVLO-XHSDSOJGSA-N 2 2 350.463 -0.700 20 30 FBEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220977962 845454944 /nfs/dbraw/zinc/45/49/44/845454944.db2.gz GZHZDEHLRHTVLO-XHSDSOJGSA-N 2 2 350.463 -0.700 20 30 FBEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220977962 845454924 /nfs/dbraw/zinc/45/49/24/845454924.db2.gz GZHZDEHLRHTVLO-XHSDSOJGSA-N 2 2 350.463 -0.700 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221061775 845487686 /nfs/dbraw/zinc/48/76/86/845487686.db2.gz DGTNOKGNJPTWMI-OAGGEKHMSA-N 2 2 352.479 -0.286 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221061775 845487681 /nfs/dbraw/zinc/48/76/81/845487681.db2.gz DGTNOKGNJPTWMI-OAGGEKHMSA-N 2 2 352.479 -0.286 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221061776 845487887 /nfs/dbraw/zinc/48/78/87/845487887.db2.gz DGTNOKGNJPTWMI-XHSDSOJGSA-N 2 2 352.479 -0.286 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221061776 845487879 /nfs/dbraw/zinc/48/78/79/845487879.db2.gz DGTNOKGNJPTWMI-XHSDSOJGSA-N 2 2 352.479 -0.286 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073436 845493306 /nfs/dbraw/zinc/49/33/06/845493306.db2.gz WWCKEIYAOAKSQR-OAGGEKHMSA-N 2 2 350.463 -0.838 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073436 845493303 /nfs/dbraw/zinc/49/33/03/845493303.db2.gz WWCKEIYAOAKSQR-OAGGEKHMSA-N 2 2 350.463 -0.838 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073437 845493535 /nfs/dbraw/zinc/49/35/35/845493535.db2.gz WWCKEIYAOAKSQR-XHSDSOJGSA-N 2 2 350.463 -0.838 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073437 845493530 /nfs/dbraw/zinc/49/35/30/845493530.db2.gz WWCKEIYAOAKSQR-XHSDSOJGSA-N 2 2 350.463 -0.838 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073539 845493319 /nfs/dbraw/zinc/49/33/19/845493319.db2.gz ZUWNCYGZGVBLJV-OAGGEKHMSA-N 2 2 352.479 -0.286 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073539 845493314 /nfs/dbraw/zinc/49/33/14/845493314.db2.gz ZUWNCYGZGVBLJV-OAGGEKHMSA-N 2 2 352.479 -0.286 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073541 845493809 /nfs/dbraw/zinc/49/38/09/845493809.db2.gz ZUWNCYGZGVBLJV-XHSDSOJGSA-N 2 2 352.479 -0.286 20 30 FBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073541 845493806 /nfs/dbraw/zinc/49/38/06/845493806.db2.gz ZUWNCYGZGVBLJV-XHSDSOJGSA-N 2 2 352.479 -0.286 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081888 845497475 /nfs/dbraw/zinc/49/74/75/845497475.db2.gz XUZMINBNOLKYOT-OAGGEKHMSA-N 2 2 350.463 -0.838 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081888 845497470 /nfs/dbraw/zinc/49/74/70/845497470.db2.gz XUZMINBNOLKYOT-OAGGEKHMSA-N 2 2 350.463 -0.838 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081889 845497493 /nfs/dbraw/zinc/49/74/93/845497493.db2.gz XUZMINBNOLKYOT-XHSDSOJGSA-N 2 2 350.463 -0.838 20 30 FBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081889 845497487 /nfs/dbraw/zinc/49/74/87/845497487.db2.gz XUZMINBNOLKYOT-XHSDSOJGSA-N 2 2 350.463 -0.838 20 30 FBEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091802 845503325 /nfs/dbraw/zinc/50/33/25/845503325.db2.gz XPNMBPBOQCPHMU-CVEARBPZSA-N 2 2 352.479 -0.312 20 30 FBEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091802 845503317 /nfs/dbraw/zinc/50/33/17/845503317.db2.gz XPNMBPBOQCPHMU-CVEARBPZSA-N 2 2 352.479 -0.312 20 30 FBEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091802 845503310 /nfs/dbraw/zinc/50/33/10/845503310.db2.gz XPNMBPBOQCPHMU-CVEARBPZSA-N 2 2 352.479 -0.312 20 30 FBEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091802 845503303 /nfs/dbraw/zinc/50/33/03/845503303.db2.gz XPNMBPBOQCPHMU-CVEARBPZSA-N 2 2 352.479 -0.312 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221093541 845503843 /nfs/dbraw/zinc/50/38/43/845503843.db2.gz PRVGPTWTEYBGFZ-CVEARBPZSA-N 2 2 354.495 -0.088 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221093541 845503836 /nfs/dbraw/zinc/50/38/36/845503836.db2.gz PRVGPTWTEYBGFZ-CVEARBPZSA-N 2 2 354.495 -0.088 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221093541 845503830 /nfs/dbraw/zinc/50/38/30/845503830.db2.gz PRVGPTWTEYBGFZ-CVEARBPZSA-N 2 2 354.495 -0.088 20 30 FBEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221093541 845503820 /nfs/dbraw/zinc/50/38/20/845503820.db2.gz PRVGPTWTEYBGFZ-CVEARBPZSA-N 2 2 354.495 -0.088 20 30 FBEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221587736 845609841 /nfs/dbraw/zinc/60/98/41/845609841.db2.gz GQBFHTGUOVFSDC-BZUAXINKSA-N 2 2 352.454 -0.052 20 30 FBEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221587736 845609835 /nfs/dbraw/zinc/60/98/35/845609835.db2.gz GQBFHTGUOVFSDC-BZUAXINKSA-N 2 2 352.454 -0.052 20 30 FBEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221587737 845610555 /nfs/dbraw/zinc/61/05/55/845610555.db2.gz GQBFHTGUOVFSDC-OWCLPIDISA-N 2 2 352.454 -0.052 20 30 FBEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221587737 845610549 /nfs/dbraw/zinc/61/05/49/845610549.db2.gz GQBFHTGUOVFSDC-OWCLPIDISA-N 2 2 352.454 -0.052 20 30 FBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789326 845652652 /nfs/dbraw/zinc/65/26/52/845652652.db2.gz PSBJCSBWWYXYQK-ZIAGYGMSSA-N 2 2 351.451 -0.517 20 30 FBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789326 845652649 /nfs/dbraw/zinc/65/26/49/845652649.db2.gz PSBJCSBWWYXYQK-ZIAGYGMSSA-N 2 2 351.451 -0.517 20 30 FBEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222488965 845721477 /nfs/dbraw/zinc/72/14/77/845721477.db2.gz IDLJKUPGCNXOLM-OWCLPIDISA-N 2 2 350.463 -0.458 20 30 FBEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222488965 845721472 /nfs/dbraw/zinc/72/14/72/845721472.db2.gz IDLJKUPGCNXOLM-OWCLPIDISA-N 2 2 350.463 -0.458 20 30 FBEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001222488965 845721460 /nfs/dbraw/zinc/72/14/60/845721460.db2.gz IDLJKUPGCNXOLM-OWCLPIDISA-N 2 2 350.463 -0.458 20 30 FBEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001222488965 845721449 /nfs/dbraw/zinc/72/14/49/845721449.db2.gz IDLJKUPGCNXOLM-OWCLPIDISA-N 2 2 350.463 -0.458 20 30 FBEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222488968 845722058 /nfs/dbraw/zinc/72/20/58/845722058.db2.gz IDLJKUPGCNXOLM-PMPSAXMXSA-N 2 2 350.463 -0.458 20 30 FBEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222488968 845722056 /nfs/dbraw/zinc/72/20/56/845722056.db2.gz IDLJKUPGCNXOLM-PMPSAXMXSA-N 2 2 350.463 -0.458 20 30 FBEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001222488968 845722053 /nfs/dbraw/zinc/72/20/53/845722053.db2.gz IDLJKUPGCNXOLM-PMPSAXMXSA-N 2 2 350.463 -0.458 20 30 FBEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001222488968 845722051 /nfs/dbraw/zinc/72/20/51/845722051.db2.gz IDLJKUPGCNXOLM-PMPSAXMXSA-N 2 2 350.463 -0.458 20 30 FBEDLP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001223570113 845760266 /nfs/dbraw/zinc/76/02/66/845760266.db2.gz JIAWRKGXBYUOIU-GDBMZVCRSA-N 2 2 350.463 -0.717 20 30 FBEDLP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001223570113 845760262 /nfs/dbraw/zinc/76/02/62/845760262.db2.gz JIAWRKGXBYUOIU-GDBMZVCRSA-N 2 2 350.463 -0.717 20 30 FBEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+](CC(=O)NCC#N)CC2)O1 ZINC001223571042 845760740 /nfs/dbraw/zinc/76/07/40/845760740.db2.gz XGOSGBYBSDOTTK-UKRRQHHQSA-N 2 2 351.451 -0.827 20 30 FBEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+](CC(=O)NCC#N)CC2)O1 ZINC001223571042 845760737 /nfs/dbraw/zinc/76/07/37/845760737.db2.gz XGOSGBYBSDOTTK-UKRRQHHQSA-N 2 2 351.451 -0.827 20 30 FBEDLP C=CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001223578470 845761343 /nfs/dbraw/zinc/76/13/43/845761343.db2.gz XWNQLBMTMCQSQX-GDBMZVCRSA-N 2 2 352.479 -0.164 20 30 FBEDLP C=CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001223578470 845761340 /nfs/dbraw/zinc/76/13/40/845761340.db2.gz XWNQLBMTMCQSQX-GDBMZVCRSA-N 2 2 352.479 -0.164 20 30 FBEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227953761 845865588 /nfs/dbraw/zinc/86/55/88/845865588.db2.gz JJZDBLDJCWMPNT-IIAWOOMASA-N 2 2 350.463 -0.576 20 30 FBEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227953762 845865843 /nfs/dbraw/zinc/86/58/43/845865843.db2.gz JJZDBLDJCWMPNT-IJEWVQPXSA-N 2 2 350.463 -0.576 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227954290 845865354 /nfs/dbraw/zinc/86/53/54/845865354.db2.gz ROFQJBLXSOLTAR-IIAWOOMASA-N 2 2 352.479 -0.023 20 30 FBEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227954290 845865346 /nfs/dbraw/zinc/86/53/46/845865346.db2.gz ROFQJBLXSOLTAR-IIAWOOMASA-N 2 2 352.479 -0.023 20 30 FBEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227954296 845867131 /nfs/dbraw/zinc/86/71/31/845867131.db2.gz ROFQJBLXSOLTAR-IJEWVQPXSA-N 2 2 352.479 -0.023 20 30 FBEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227954296 845867124 /nfs/dbraw/zinc/86/71/24/845867124.db2.gz ROFQJBLXSOLTAR-IJEWVQPXSA-N 2 2 352.479 -0.023 20 30 FBEDLP C#CCOC[C@H](O)C[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001251839359 846164161 /nfs/dbraw/zinc/16/41/61/846164161.db2.gz DQRWCSYDRAAXLF-CYBMUJFWSA-N 2 2 350.419 -0.665 20 30 FBEDLP C#CCOC[C@H](O)C[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001251839359 846164153 /nfs/dbraw/zinc/16/41/53/846164153.db2.gz DQRWCSYDRAAXLF-CYBMUJFWSA-N 2 2 350.419 -0.665 20 30 FBEDLP C#CCOC[C@@H](O)C[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001251839360 846164358 /nfs/dbraw/zinc/16/43/58/846164358.db2.gz DQRWCSYDRAAXLF-ZDUSSCGKSA-N 2 2 350.419 -0.665 20 30 FBEDLP C#CCOC[C@@H](O)C[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001251839360 846164357 /nfs/dbraw/zinc/16/43/57/846164357.db2.gz DQRWCSYDRAAXLF-ZDUSSCGKSA-N 2 2 350.419 -0.665 20 30 FBEDLP C=CCOC[C@@H](O)CNc1cc(N2CC[NH+](CCO)CC2)nc(C)[nH+]1 ZINC001252454591 846190503 /nfs/dbraw/zinc/19/05/03/846190503.db2.gz QWWAHJMRTBTXQH-HNNXBMFYSA-N 2 2 351.451 -0.125 20 30 FBEDLP C=CCOC[C@H](O)CNc1cc(N2CC[NH+](CCO)CC2)nc(C)[nH+]1 ZINC001252454592 846190063 /nfs/dbraw/zinc/19/00/63/846190063.db2.gz QWWAHJMRTBTXQH-OAHLLOKOSA-N 2 2 351.451 -0.125 20 30 FBEDLP C=CCOC[C@H](O)C[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001252464369 846190223 /nfs/dbraw/zinc/19/02/23/846190223.db2.gz XLUNDJRTSLOGOL-CYBMUJFWSA-N 2 2 352.435 -0.112 20 30 FBEDLP C=CCOC[C@H](O)C[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001252464369 846190220 /nfs/dbraw/zinc/19/02/20/846190220.db2.gz XLUNDJRTSLOGOL-CYBMUJFWSA-N 2 2 352.435 -0.112 20 30 FBEDLP C=CCOC[C@@H](O)C[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001252464371 846190423 /nfs/dbraw/zinc/19/04/23/846190423.db2.gz XLUNDJRTSLOGOL-ZDUSSCGKSA-N 2 2 352.435 -0.112 20 30 FBEDLP C=CCOC[C@@H](O)C[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001252464371 846190421 /nfs/dbraw/zinc/19/04/21/846190421.db2.gz XLUNDJRTSLOGOL-ZDUSSCGKSA-N 2 2 352.435 -0.112 20 30 FBEDLP C[NH+]1CCN(c2ncc(C=[NH+]NC3CCS(=O)(=O)CC3)cn2)CC1 ZINC001254222890 846253589 /nfs/dbraw/zinc/25/35/89/846253589.db2.gz OLAAFIQVQLPTDA-UHFFFAOYSA-N 2 2 352.464 -0.271 20 30 FBEDLP C#CCSCCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001261092925 846484302 /nfs/dbraw/zinc/48/43/02/846484302.db2.gz SZRVCFWDVOHCCA-UHFFFAOYSA-N 2 2 354.520 -0.047 20 30 FBEDLP C#CCSCCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001261092925 846484281 /nfs/dbraw/zinc/48/42/81/846484281.db2.gz SZRVCFWDVOHCCA-UHFFFAOYSA-N 2 2 354.520 -0.047 20 30 FBEDLP CC[NH+]1CCN(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC001262562257 846739351 /nfs/dbraw/zinc/73/93/51/846739351.db2.gz VARUPLQQOYCSFW-UHFFFAOYSA-N 2 2 351.476 -0.046 20 30 FBEDLP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1CC(=O)NCC#N ZINC001264065077 846795250 /nfs/dbraw/zinc/79/52/50/846795250.db2.gz LUOJECGZIISEIG-LSDHHAIUSA-N 2 2 351.451 -0.682 20 30 FBEDLP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1CC(=O)NCC#N ZINC001264065077 846795243 /nfs/dbraw/zinc/79/52/43/846795243.db2.gz LUOJECGZIISEIG-LSDHHAIUSA-N 2 2 351.451 -0.682 20 30 FBEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1CC ZINC001264070047 846796978 /nfs/dbraw/zinc/79/69/78/846796978.db2.gz ITYVBBQHGDWTDV-ARFHVFGLSA-N 2 2 352.479 -0.022 20 30 FBEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1CC ZINC001264070047 846796970 /nfs/dbraw/zinc/79/69/70/846796970.db2.gz ITYVBBQHGDWTDV-ARFHVFGLSA-N 2 2 352.479 -0.022 20 30 FBEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001264070047 846796962 /nfs/dbraw/zinc/79/69/62/846796962.db2.gz ITYVBBQHGDWTDV-ARFHVFGLSA-N 2 2 352.479 -0.022 20 30 FBEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001264070047 846796955 /nfs/dbraw/zinc/79/69/55/846796955.db2.gz ITYVBBQHGDWTDV-ARFHVFGLSA-N 2 2 352.479 -0.022 20 30 FBEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1CC ZINC001264070050 846797778 /nfs/dbraw/zinc/79/77/78/846797778.db2.gz ITYVBBQHGDWTDV-XHSDSOJGSA-N 2 2 352.479 -0.022 20 30 FBEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1CC ZINC001264070050 846797765 /nfs/dbraw/zinc/79/77/65/846797765.db2.gz ITYVBBQHGDWTDV-XHSDSOJGSA-N 2 2 352.479 -0.022 20 30 FBEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001264070050 846797755 /nfs/dbraw/zinc/79/77/55/846797755.db2.gz ITYVBBQHGDWTDV-XHSDSOJGSA-N 2 2 352.479 -0.022 20 30 FBEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001264070050 846797746 /nfs/dbraw/zinc/79/77/46/846797746.db2.gz ITYVBBQHGDWTDV-XHSDSOJGSA-N 2 2 352.479 -0.022 20 30 FBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001264169509 846811530 /nfs/dbraw/zinc/81/15/30/846811530.db2.gz KQWKJCPNVGODGM-HZSPNIEDSA-N 2 2 353.467 -0.083 20 30 FBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001264169509 846811523 /nfs/dbraw/zinc/81/15/23/846811523.db2.gz KQWKJCPNVGODGM-HZSPNIEDSA-N 2 2 353.467 -0.083 20 30 FBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001264169510 846812404 /nfs/dbraw/zinc/81/24/04/846812404.db2.gz KQWKJCPNVGODGM-RDBSUJKOSA-N 2 2 353.467 -0.083 20 30 FBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001264169510 846812398 /nfs/dbraw/zinc/81/23/98/846812398.db2.gz KQWKJCPNVGODGM-RDBSUJKOSA-N 2 2 353.467 -0.083 20 30 FBEDLP C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001264545752 846828361 /nfs/dbraw/zinc/82/83/61/846828361.db2.gz ZBZSZNSMGNGHGQ-ILXRZTDVSA-N 2 2 351.451 -0.827 20 30 FBEDLP C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001264545752 846828351 /nfs/dbraw/zinc/82/83/51/846828351.db2.gz ZBZSZNSMGNGHGQ-ILXRZTDVSA-N 2 2 351.451 -0.827 20 30 FBEDLP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001264545753 846828211 /nfs/dbraw/zinc/82/82/11/846828211.db2.gz ZBZSZNSMGNGHGQ-QLFBSQMISA-N 2 2 351.451 -0.827 20 30 FBEDLP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001264545753 846828202 /nfs/dbraw/zinc/82/82/02/846828202.db2.gz ZBZSZNSMGNGHGQ-QLFBSQMISA-N 2 2 351.451 -0.827 20 30 FBEDLP COCC#CC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001266785064 836010845 /nfs/dbraw/zinc/01/08/45/836010845.db2.gz DYQUJXCIXLJJJI-SJORKVTESA-N 2 2 353.463 -0.436 20 30 FBEDLP C=C[C@H](O)C[NH+]1CC2(C1)COCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276813916 845270942 /nfs/dbraw/zinc/27/09/42/845270942.db2.gz BTIXKAZYIMUZDH-INIZCTEOSA-N 2 2 352.479 -0.916 20 30 FBEDLP C=C[C@@H](O)C[NH+]1CC2(C1)COCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276813927 845271737 /nfs/dbraw/zinc/27/17/37/845271737.db2.gz BTIXKAZYIMUZDH-MRXNPFEDSA-N 2 2 352.479 -0.916 20 30 FBEDLP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001278786118 846265750 /nfs/dbraw/zinc/26/57/50/846265750.db2.gz LZHOKXSWGPVTBU-BBWFWOEESA-N 2 2 353.463 -0.702 20 30 FBEDLP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001278786119 846265366 /nfs/dbraw/zinc/26/53/66/846265366.db2.gz LZHOKXSWGPVTBU-ZACQAIPSSA-N 2 2 353.463 -0.702 20 30 FBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@@H]1O ZINC001289662162 847786646 /nfs/dbraw/zinc/78/66/46/847786646.db2.gz KXJFZGIOELPAKP-PMPSAXMXSA-N 2 2 350.463 -0.888 20 30 FBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@@H]1O ZINC001289662162 847786644 /nfs/dbraw/zinc/78/66/44/847786644.db2.gz KXJFZGIOELPAKP-PMPSAXMXSA-N 2 2 350.463 -0.888 20 30 FBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC001289662162 847786643 /nfs/dbraw/zinc/78/66/43/847786643.db2.gz KXJFZGIOELPAKP-PMPSAXMXSA-N 2 2 350.463 -0.888 20 30 FBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1O ZINC001289662162 847786640 /nfs/dbraw/zinc/78/66/40/847786640.db2.gz KXJFZGIOELPAKP-PMPSAXMXSA-N 2 2 350.463 -0.888 20 30 FBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001289662361 847786586 /nfs/dbraw/zinc/78/65/86/847786586.db2.gz OAHIMOSJKBKBDY-PMPSAXMXSA-N 2 2 350.463 -0.886 20 30 FBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001289662361 847786583 /nfs/dbraw/zinc/78/65/83/847786583.db2.gz OAHIMOSJKBKBDY-PMPSAXMXSA-N 2 2 350.463 -0.886 20 30 FBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCNS(C)(=O)=O)[C@@H]1CC ZINC001316734379 848310806 /nfs/dbraw/zinc/31/08/06/848310806.db2.gz KIQWCJODQKXEJK-XHSDSOJGSA-N 2 2 370.519 -0.398 20 30 FBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCNS(C)(=O)=O)[C@@H]1CC ZINC001316734379 848310797 /nfs/dbraw/zinc/31/07/97/848310797.db2.gz KIQWCJODQKXEJK-XHSDSOJGSA-N 2 2 370.519 -0.398 20 30 FBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)[C@@H]1CC ZINC001316734379 848310788 /nfs/dbraw/zinc/31/07/88/848310788.db2.gz KIQWCJODQKXEJK-XHSDSOJGSA-N 2 2 370.519 -0.398 20 30 FBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)[C@@H]1CC ZINC001316734379 848310780 /nfs/dbraw/zinc/31/07/80/848310780.db2.gz KIQWCJODQKXEJK-XHSDSOJGSA-N 2 2 370.519 -0.398 20 30 FBEDLP C[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@H+]1CC(=O)NCC#N ZINC001316793260 848323357 /nfs/dbraw/zinc/32/33/57/848323357.db2.gz NZZAVSVUYXNHFU-HIFRSBDPSA-N 2 2 351.451 -0.684 20 30 FBEDLP C[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)NCC#N ZINC001316793260 848323352 /nfs/dbraw/zinc/32/33/52/848323352.db2.gz NZZAVSVUYXNHFU-HIFRSBDPSA-N 2 2 351.451 -0.684 20 30 FBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001316800999 848304317 /nfs/dbraw/zinc/30/43/17/848304317.db2.gz HRVJOFXFAXWYLY-KGLIPLIRSA-N 2 2 351.451 -0.327 20 30 FBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001316800999 848304308 /nfs/dbraw/zinc/30/43/08/848304308.db2.gz HRVJOFXFAXWYLY-KGLIPLIRSA-N 2 2 351.451 -0.327 20 30 FBEDLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)[C@@H]1C ZINC001316801314 848303959 /nfs/dbraw/zinc/30/39/59/848303959.db2.gz MGDSTLPPOJVWGO-KFWWJZLASA-N 2 2 351.451 -0.827 20 30 FBEDLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)[C@@H]1C ZINC001316801314 848303953 /nfs/dbraw/zinc/30/39/53/848303953.db2.gz MGDSTLPPOJVWGO-KFWWJZLASA-N 2 2 351.451 -0.827 20 30 FBEDLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)[C@@H]1C ZINC001316801316 848304120 /nfs/dbraw/zinc/30/41/20/848304120.db2.gz MGDSTLPPOJVWGO-ZNMIVQPWSA-N 2 2 351.451 -0.827 20 30 FBEDLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)[C@@H]1C ZINC001316801316 848304110 /nfs/dbraw/zinc/30/41/10/848304110.db2.gz MGDSTLPPOJVWGO-ZNMIVQPWSA-N 2 2 351.451 -0.827 20 30 FBEDLP C=C[C@@H](COC)NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001322021653 848714108 /nfs/dbraw/zinc/71/41/08/848714108.db2.gz VZKGILKVWIKQNX-AWEZNQCLSA-N 2 2 352.479 -0.022 20 30 FBEDLP C=C[C@H](COC)NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001322021654 848713972 /nfs/dbraw/zinc/71/39/72/848713972.db2.gz VZKGILKVWIKQNX-CQSZACIVSA-N 2 2 352.479 -0.022 20 30 FBEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@](F)(C#N)C1 ZINC001325012787 849097263 /nfs/dbraw/zinc/09/72/63/849097263.db2.gz JTOHTXYECYRIER-KRWDZBQOSA-N 2 2 353.442 -0.065 20 30 FBEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@](F)(C#N)C1 ZINC001325012787 849097256 /nfs/dbraw/zinc/09/72/56/849097256.db2.gz JTOHTXYECYRIER-KRWDZBQOSA-N 2 2 353.442 -0.065 20 30 FBEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@](F)(C#N)C1 ZINC001325012795 849097556 /nfs/dbraw/zinc/09/75/56/849097556.db2.gz JTOHTXYECYRIER-QGZVFWFLSA-N 2 2 353.442 -0.065 20 30 FBEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@](F)(C#N)C1 ZINC001325012795 849097550 /nfs/dbraw/zinc/09/75/50/849097550.db2.gz JTOHTXYECYRIER-QGZVFWFLSA-N 2 2 353.442 -0.065 20 30 FBEDLP C=C[C@H](COC)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001325476965 849147055 /nfs/dbraw/zinc/14/70/55/849147055.db2.gz XYAIDTDUIDQERB-GDBMZVCRSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=C[C@H](COC)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001325476965 849147049 /nfs/dbraw/zinc/14/70/49/849147049.db2.gz XYAIDTDUIDQERB-GDBMZVCRSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=C[C@@H](COC)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001325476966 849147186 /nfs/dbraw/zinc/14/71/86/849147186.db2.gz XYAIDTDUIDQERB-GOEBONIOSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=C[C@@H](COC)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001325476966 849147182 /nfs/dbraw/zinc/14/71/82/849147182.db2.gz XYAIDTDUIDQERB-GOEBONIOSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=C[C@@H](COC)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001325476967 849147139 /nfs/dbraw/zinc/14/71/39/849147139.db2.gz XYAIDTDUIDQERB-HOCLYGCPSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=C[C@@H](COC)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001325476967 849147136 /nfs/dbraw/zinc/14/71/36/849147136.db2.gz XYAIDTDUIDQERB-HOCLYGCPSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=C[C@H](COC)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001325476968 849147233 /nfs/dbraw/zinc/14/72/33/849147233.db2.gz XYAIDTDUIDQERB-ZBFHGGJFSA-N 2 2 352.479 -0.070 20 30 FBEDLP C=C[C@H](COC)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001325476968 849147231 /nfs/dbraw/zinc/14/72/31/849147231.db2.gz XYAIDTDUIDQERB-ZBFHGGJFSA-N 2 2 352.479 -0.070 20 30 FBEDLP C#C[C@H]1COCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001325495503 849149594 /nfs/dbraw/zinc/14/95/94/849149594.db2.gz UFIVNDTVGPOJMF-HNNXBMFYSA-N 2 2 350.463 -0.669 20 30 FBEDLP C#C[C@H]1COCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001325495503 849149592 /nfs/dbraw/zinc/14/95/92/849149592.db2.gz UFIVNDTVGPOJMF-HNNXBMFYSA-N 2 2 350.463 -0.669 20 30 FBEDLP C#C[C@@H]1COCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001325495504 849149787 /nfs/dbraw/zinc/14/97/87/849149787.db2.gz UFIVNDTVGPOJMF-OAHLLOKOSA-N 2 2 350.463 -0.669 20 30 FBEDLP C#C[C@@H]1COCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001325495504 849149783 /nfs/dbraw/zinc/14/97/83/849149783.db2.gz UFIVNDTVGPOJMF-OAHLLOKOSA-N 2 2 350.463 -0.669 20 30 FBEDLP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@H](O)CN(C)CCC#N)C2 ZINC001326596514 849290986 /nfs/dbraw/zinc/29/09/86/849290986.db2.gz LZNCRCKFXVDWEN-HMQMGEFJSA-N 2 2 351.495 -0.134 20 30 FBEDLP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@H](O)CN(C)CCC#N)C2 ZINC001326596514 849290975 /nfs/dbraw/zinc/29/09/75/849290975.db2.gz LZNCRCKFXVDWEN-HMQMGEFJSA-N 2 2 351.495 -0.134 20 30 FBEDLP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@@H](O)CN(C)CCC#N)C2 ZINC001326596516 849290809 /nfs/dbraw/zinc/29/08/09/849290809.db2.gz LZNCRCKFXVDWEN-NPYXIHBLSA-N 2 2 351.495 -0.134 20 30 FBEDLP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@@H](O)CN(C)CCC#N)C2 ZINC001326596516 849290804 /nfs/dbraw/zinc/29/08/04/849290804.db2.gz LZNCRCKFXVDWEN-NPYXIHBLSA-N 2 2 351.495 -0.134 20 30 FBEDLP C=CCOCCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001327780519 849482577 /nfs/dbraw/zinc/48/25/77/849482577.db2.gz VTIPGMCYUFKWJM-UHFFFAOYSA-N 2 2 352.479 -0.020 20 30 FBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1O ZINC001341545511 851113580 /nfs/dbraw/zinc/11/35/80/851113580.db2.gz DSKQOWPDQJYPGL-OWCLPIDISA-N 2 2 350.463 -0.886 20 30 FBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1O ZINC001341545511 851113577 /nfs/dbraw/zinc/11/35/77/851113577.db2.gz DSKQOWPDQJYPGL-OWCLPIDISA-N 2 2 350.463 -0.886 20 30 FBEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@](F)(C#N)C3)C2)CC1 ZINC001346304230 851682910 /nfs/dbraw/zinc/68/29/10/851682910.db2.gz GZRSBCFNOMPKDB-CXAGYDPISA-N 2 2 351.426 -0.265 20 30 FBEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@](F)(C#N)C3)C2)CC1 ZINC001346304230 851682904 /nfs/dbraw/zinc/68/29/04/851682904.db2.gz GZRSBCFNOMPKDB-CXAGYDPISA-N 2 2 351.426 -0.265 20 30 FBEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@](F)(C#N)C3)C2)CC1 ZINC001346304247 851682596 /nfs/dbraw/zinc/68/25/96/851682596.db2.gz GZRSBCFNOMPKDB-DYVFJYSZSA-N 2 2 351.426 -0.265 20 30 FBEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@](F)(C#N)C3)C2)CC1 ZINC001346304247 851682591 /nfs/dbraw/zinc/68/25/91/851682591.db2.gz GZRSBCFNOMPKDB-DYVFJYSZSA-N 2 2 351.426 -0.265 20 30 FBEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@](F)(C#N)C3)C2)CC1 ZINC001346304254 851682625 /nfs/dbraw/zinc/68/26/25/851682625.db2.gz GZRSBCFNOMPKDB-GUYCJALGSA-N 2 2 351.426 -0.265 20 30 FBEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@](F)(C#N)C3)C2)CC1 ZINC001346304254 851682621 /nfs/dbraw/zinc/68/26/21/851682621.db2.gz GZRSBCFNOMPKDB-GUYCJALGSA-N 2 2 351.426 -0.265 20 30 FBEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@](F)(C#N)C3)C2)CC1 ZINC001346304258 851682740 /nfs/dbraw/zinc/68/27/40/851682740.db2.gz GZRSBCFNOMPKDB-SUMWQHHRSA-N 2 2 351.426 -0.265 20 30 FBEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@](F)(C#N)C3)C2)CC1 ZINC001346304258 851682737 /nfs/dbraw/zinc/68/27/37/851682737.db2.gz GZRSBCFNOMPKDB-SUMWQHHRSA-N 2 2 351.426 -0.265 20 30 FBEDLP C=C(C)COCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001346304535 851682716 /nfs/dbraw/zinc/68/27/16/851682716.db2.gz IOHLHSKVIINCSF-HNNXBMFYSA-N 2 2 352.479 -0.020 20 30 FBEDLP C=C(C)COCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001346304535 851682712 /nfs/dbraw/zinc/68/27/12/851682712.db2.gz IOHLHSKVIINCSF-HNNXBMFYSA-N 2 2 352.479 -0.020 20 30 FBEDLP C=C(C)COCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001346304539 851682684 /nfs/dbraw/zinc/68/26/84/851682684.db2.gz IOHLHSKVIINCSF-OAHLLOKOSA-N 2 2 352.479 -0.020 20 30 FBEDLP C=C(C)COCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001346304539 851682683 /nfs/dbraw/zinc/68/26/83/851682683.db2.gz IOHLHSKVIINCSF-OAHLLOKOSA-N 2 2 352.479 -0.020 20 30 FBEDLP C#CCOCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001346543696 851705255 /nfs/dbraw/zinc/70/52/55/851705255.db2.gz NQGCCXMCFISPAC-INIZCTEOSA-N 2 2 350.463 -0.621 20 30 FBEDLP C#CCOCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001346543696 851705250 /nfs/dbraw/zinc/70/52/50/851705250.db2.gz NQGCCXMCFISPAC-INIZCTEOSA-N 2 2 350.463 -0.621 20 30 FBEDLP C#CCOCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001346543698 851704848 /nfs/dbraw/zinc/70/48/48/851704848.db2.gz NQGCCXMCFISPAC-MRXNPFEDSA-N 2 2 350.463 -0.621 20 30 FBEDLP C#CCOCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001346543698 851704845 /nfs/dbraw/zinc/70/48/45/851704845.db2.gz NQGCCXMCFISPAC-MRXNPFEDSA-N 2 2 350.463 -0.621 20 30 FBEDLP C#CCSCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001346597514 851710953 /nfs/dbraw/zinc/71/09/53/851710953.db2.gz BIQAHNVPVHKJEO-AWEZNQCLSA-N 2 2 352.504 -0.246 20 30 FBEDLP C#CCSCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001346597514 851710948 /nfs/dbraw/zinc/71/09/48/851710948.db2.gz BIQAHNVPVHKJEO-AWEZNQCLSA-N 2 2 352.504 -0.246 20 30 FBEDLP C#CCSCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001346597515 851711003 /nfs/dbraw/zinc/71/10/03/851711003.db2.gz BIQAHNVPVHKJEO-CQSZACIVSA-N 2 2 352.504 -0.246 20 30 FBEDLP C#CCSCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001346597515 851710996 /nfs/dbraw/zinc/71/09/96/851710996.db2.gz BIQAHNVPVHKJEO-CQSZACIVSA-N 2 2 352.504 -0.246 20 30 FBEDLP C=CCOCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001350024542 851965049 /nfs/dbraw/zinc/96/50/49/851965049.db2.gz WEAKRWRGUFYVFT-INIZCTEOSA-N 2 2 352.479 -0.068 20 30 FBEDLP C=CCOCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001350024542 851965048 /nfs/dbraw/zinc/96/50/48/851965048.db2.gz WEAKRWRGUFYVFT-INIZCTEOSA-N 2 2 352.479 -0.068 20 30 FBEDLP C=CCOCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001350024544 851964982 /nfs/dbraw/zinc/96/49/82/851964982.db2.gz WEAKRWRGUFYVFT-MRXNPFEDSA-N 2 2 352.479 -0.068 20 30 FBEDLP C=CCOCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001350024544 851964977 /nfs/dbraw/zinc/96/49/77/851964977.db2.gz WEAKRWRGUFYVFT-MRXNPFEDSA-N 2 2 352.479 -0.068 20 30 FBEDLP C#CC[NH2+]CC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001353677247 852194714 /nfs/dbraw/zinc/19/47/14/852194714.db2.gz FCMYNPDFANKUQX-UHFFFAOYSA-N 2 2 350.463 -0.714 20 30 FBEDLP