smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1cc(C#N)cnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164706975 719904421 /nfs/dbraw/zinc/90/44/21/719904421.db2.gz MGSWLZUQLRZTKQ-UHFFFAOYSA-N 1 0 412.515 2.673 20 30 HFEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc3c(cc2C#N)CCCC3)CC1 ZINC001164821727 720337628 /nfs/dbraw/zinc/33/76/28/720337628.db2.gz BONGWWXZUQPTHA-FGZHOGPDSA-N 1 0 407.562 2.744 20 30 HFEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc3c(c2C#N)CCCC3)CC1 ZINC001164829567 720354731 /nfs/dbraw/zinc/35/47/31/720354731.db2.gz SPCQMPLJYWSZHB-FCHUYYIVSA-N 1 0 407.562 2.744 20 30 HFEDRO Cc1ccc([C@@H](C#N)c2ccc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)nn2)cc1 ZINC001164732015 720507412 /nfs/dbraw/zinc/50/74/12/720507412.db2.gz SIKKBTAVBPPIIY-AZUAARDMSA-N 1 0 401.518 2.835 20 30 HFEDRO N#CC1(c2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc2)CCOCC1 ZINC001164737045 720579123 /nfs/dbraw/zinc/57/91/23/720579123.db2.gz ZZVDJHWTYGBGCK-UHFFFAOYSA-N 1 0 406.534 2.508 20 30 HFEDRO Cc1c(Cl)c(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1C#N ZINC001164743627 720646820 /nfs/dbraw/zinc/64/68/20/720646820.db2.gz PRQHJZXERVWYSF-QWHCGFSZSA-N 1 0 405.289 2.700 20 30 HFEDRO N#CC1(c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2)CCC1 ZINC001164745129 720828548 /nfs/dbraw/zinc/82/85/48/720828548.db2.gz WMBJYNGOPROJDP-KSEOMHKRSA-N 1 0 417.561 2.998 20 30 HFEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc([C@@H](C#N)c4ccc(C)cc4)nn3)CC[C@@H]2C1 ZINC001164854782 720837007 /nfs/dbraw/zinc/83/70/07/720837007.db2.gz SHMPPQQGLSPNJW-FUPPJEDESA-N 1 0 421.545 2.614 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)ncc4C#N)C[C@@H]3C2)cn1 ZINC001164771776 721141395 /nfs/dbraw/zinc/14/13/95/721141395.db2.gz TVQDTOJGGPFQGO-HOCLYGCPSA-N 1 0 406.868 2.843 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(C#N)cc(Cl)n4)C[C@H]3C2)cn1 ZINC001164769943 721142489 /nfs/dbraw/zinc/14/24/89/721142489.db2.gz QLWJJEBBOZBFID-JKSUJKDBSA-N 1 0 406.868 2.843 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(C#N)ccc4NC(=O)C(C)(C)C)C[C@@H]3C2)cn1 ZINC001164773348 721173837 /nfs/dbraw/zinc/17/38/37/721173837.db2.gz WMOQAHAFDYKDNW-ROUUACIJSA-N 1 0 421.549 2.630 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)ncc1C#N)CC2 ZINC001164784224 721454810 /nfs/dbraw/zinc/45/48/10/721454810.db2.gz DPUABXDASFVOHF-GOSISDBHSA-N 1 0 419.957 2.736 20 30 HFEDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2c(C#N)cnc3cnc(Cl)cc32)CC1 ZINC001165007798 721732061 /nfs/dbraw/zinc/73/20/61/721732061.db2.gz HUGQTDQKBLYJPZ-UHFFFAOYSA-N 1 0 412.925 2.678 20 30 HFEDRO CN(C)S(=O)(=O)c1ccccc1N=NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000793191961 1078097154 /nfs/dbraw/zinc/09/71/54/1078097154.db2.gz QBHORMYGMMYFRY-UHFFFAOYSA-N 1 0 416.547 2.858 20 30 HFEDRO C#C[C@@H](CCC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(C)cc1 ZINC000790691907 1078098038 /nfs/dbraw/zinc/09/80/38/1078098038.db2.gz ZYOKZGUUVIPRAV-OALUTQOASA-N 1 0 414.575 2.796 20 30 HFEDRO CC(C)=CCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1C ZINC000790696468 1078098666 /nfs/dbraw/zinc/09/86/66/1078098666.db2.gz GHGRWUILZNPZGD-GOSISDBHSA-N 1 0 402.564 2.961 20 30 HFEDRO C[C@H](CNC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[NH+]1CCCCC1 ZINC000793707143 1078276877 /nfs/dbraw/zinc/27/68/77/1078276877.db2.gz DTJVVDJDSDZYMG-MRXNPFEDSA-N 1 0 410.543 2.894 20 30 HFEDRO C#C[C@](C)(CC)[NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC ZINC001170452227 1078519344 /nfs/dbraw/zinc/51/93/44/1078519344.db2.gz SUKLRDDAUDHOLV-OAQYLSRUSA-N 1 0 421.563 2.590 20 30 HFEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000804894863 1078751403 /nfs/dbraw/zinc/75/14/03/1078751403.db2.gz BOMHDEILJDMSHG-CQSZACIVSA-N 1 0 413.440 2.919 20 30 HFEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](N(C)c3ccc(C)cc3)C2)CC1 ZINC000804898347 1078754540 /nfs/dbraw/zinc/75/45/40/1078754540.db2.gz JDPAOFIQZYWFEP-QFIPXVFZSA-N 1 0 412.578 2.579 20 30 HFEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@]2(COC)CCCN2C(=O)OC(C)(C)C)CC1 ZINC000805081141 1078912559 /nfs/dbraw/zinc/91/25/59/1078912559.db2.gz TZLAHNPUXHEDCT-QFIPXVFZSA-N 1 0 424.586 2.742 20 30 HFEDRO C=C(Br)CNC(=O)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000805646954 1079200229 /nfs/dbraw/zinc/20/02/29/1079200229.db2.gz IJDOEHKLCNQIMB-HNNXBMFYSA-N 1 0 408.340 2.791 20 30 HFEDRO C=CCn1ccc2c1ncnc2-n1ccc(=NC(=O)C2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC001170486691 1079224609 /nfs/dbraw/zinc/22/46/09/1079224609.db2.gz MLHNLLBWPXEAJJ-WWDZGPRUSA-N 1 0 404.518 2.989 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)c1ccncc1 ZINC000805806141 1079282284 /nfs/dbraw/zinc/28/22/84/1079282284.db2.gz IZQXAPKFGOQVFH-UGKGYDQZSA-N 1 0 406.530 2.938 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000805807417 1079282677 /nfs/dbraw/zinc/28/26/77/1079282677.db2.gz HIOQWQHUBXOSQM-NYVOZVTQSA-N 1 0 406.530 2.842 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805814124 1079288314 /nfs/dbraw/zinc/28/83/14/1079288314.db2.gz PTEZEUCVIQUSOU-NYVOZVTQSA-N 1 0 406.530 2.842 20 30 HFEDRO C[C@@H](OC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)C(=O)NC1(C#N)CCC1 ZINC000787706792 1076920137 /nfs/dbraw/zinc/92/01/37/1076920137.db2.gz SFLCJBGUMCTBTF-QRWLVFNGSA-N 1 0 423.435 2.935 20 30 HFEDRO C[NH+](C)[C@H]1CCCC(N=Nc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C1 ZINC000788408054 1077153085 /nfs/dbraw/zinc/15/30/85/1077153085.db2.gz KUQLXBOFZFKZPM-HNNXBMFYSA-N 1 0 409.512 2.651 20 30 HFEDRO CC(C)(C)OC(=O)N1CCN(CC[N@@H+]2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000788483450 1077176617 /nfs/dbraw/zinc/17/66/17/1077176617.db2.gz RHSLMQKUUXPUKY-UHFFFAOYSA-N 1 0 413.566 2.623 20 30 HFEDRO C#CCn1ccc(CN(CC)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2OCC)n1 ZINC000788625060 1077233829 /nfs/dbraw/zinc/23/38/29/1077233829.db2.gz YYJGBSNFWQGZJC-UHFFFAOYSA-N 1 0 424.549 2.721 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)n1 ZINC000788850601 1077319249 /nfs/dbraw/zinc/31/92/49/1077319249.db2.gz SJEXKQREHXICTO-LJQANCHMSA-N 1 0 415.563 2.573 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](CC)[N@@H+]2CCc3ccccc3C2)n1 ZINC000788867692 1077324775 /nfs/dbraw/zinc/32/47/75/1077324775.db2.gz YJIUSMVFHQCVBG-HSZRJFAPSA-N 1 0 423.561 2.511 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000788876854 1077327030 /nfs/dbraw/zinc/32/70/30/1077327030.db2.gz ZNGJTHXCCGUEIN-UHFFFAOYSA-N 1 0 423.561 2.511 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)n1 ZINC000788928807 1077339715 /nfs/dbraw/zinc/33/97/15/1077339715.db2.gz LOUVWMCJGNYKFC-QHCPKHFHSA-N 1 0 423.561 2.820 20 30 HFEDRO COc1cccc(C2=NO[C@H](C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000791698552 1077532487 /nfs/dbraw/zinc/53/24/87/1077532487.db2.gz HLPVZRFSCCXWAA-QFIPXVFZSA-N 1 0 418.497 2.863 20 30 HFEDRO C=CCNC(=S)C(C(=O)c1cccc(S(C)(=O)=O)c1)[n+]1ccc(CC)cc1 ZINC000789391188 1077535330 /nfs/dbraw/zinc/53/53/30/1077535330.db2.gz DEDFPIKJASNCNK-UHFFFAOYSA-O 1 0 403.549 2.927 20 30 HFEDRO CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000789845702 1077818759 /nfs/dbraw/zinc/81/87/59/1077818759.db2.gz NSEHDRAEZNUXPD-LJQANCHMSA-N 1 0 424.545 2.918 20 30 HFEDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2nc3ccc([N+](=O)[O-])cc3c(Cl)c2C#N)O1 ZINC001170276544 1077928411 /nfs/dbraw/zinc/92/84/11/1077928411.db2.gz CZJXXSCIMVKMKU-IIDMSEBBSA-N 1 0 405.842 2.805 20 30 HFEDRO CNC(=O)CO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170382614 1077964354 /nfs/dbraw/zinc/96/43/54/1077964354.db2.gz BPBBKQLHZIASHV-RTIYUPOBSA-N 1 0 411.546 2.777 20 30 HFEDRO C=CCCCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(C)cc1 ZINC000790278929 1077983066 /nfs/dbraw/zinc/98/30/66/1077983066.db2.gz CHMPKYWBVGWIAI-GOSISDBHSA-N 1 0 402.564 2.961 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(C)cc1C ZINC000792751416 1077985197 /nfs/dbraw/zinc/98/51/97/1077985197.db2.gz OQWUMHOFVBJTMG-IEBWSBKVSA-N 1 0 414.575 2.715 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000792752648 1077986131 /nfs/dbraw/zinc/98/61/31/1077986131.db2.gz JXFNFLDGLAGKRP-HOTGVXAUSA-N 1 0 406.577 2.549 20 30 HFEDRO C=CCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cc(Cl)ccc1OC ZINC000792753864 1077986457 /nfs/dbraw/zinc/98/64/57/1077986457.db2.gz VDKAFACIBUQZRD-MRXNPFEDSA-N 1 0 424.954 2.534 20 30 HFEDRO C=CC[C@]1(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790329719 1077998138 /nfs/dbraw/zinc/99/81/38/1077998138.db2.gz IYIMWFRVLXFSAE-HSZRJFAPSA-N 1 0 421.582 2.903 20 30 HFEDRO C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)c3cccc(F)c3C#N)cc2)CC1 ZINC000790439863 1078031756 /nfs/dbraw/zinc/03/17/56/1078031756.db2.gz TXKRLOLWKMLXFO-UHFFFAOYSA-N 1 0 403.479 2.649 20 30 HFEDRO C=CC[NH+]1CCC(NC(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000792987514 1078041511 /nfs/dbraw/zinc/04/15/11/1078041511.db2.gz CBTRDEZKSSCKRW-JOCHJYFZSA-N 1 0 400.523 2.737 20 30 HFEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)c1C#N ZINC000806381280 1079629982 /nfs/dbraw/zinc/62/99/82/1079629982.db2.gz XEISZZQJASFJBE-IBGZPJMESA-N 1 0 400.870 2.609 20 30 HFEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000806503491 1079753307 /nfs/dbraw/zinc/75/33/07/1079753307.db2.gz PHLNQEHGBVKRHW-ZWKOTPCHSA-N 1 0 410.543 2.892 20 30 HFEDRO C#CCOc1cccc(NC(=O)C(=O)Nc2cccc(NC(=O)C[NH+](CC)CC)c2)c1 ZINC000807011110 1080209686 /nfs/dbraw/zinc/20/96/86/1080209686.db2.gz WRQSHJZHWKCLDJ-UHFFFAOYSA-N 1 0 422.485 2.556 20 30 HFEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807249121 1080405287 /nfs/dbraw/zinc/40/52/87/1080405287.db2.gz MPAVVGYMKKBJDD-QGZVFWFLSA-N 1 0 410.543 2.703 20 30 HFEDRO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)c2)s1 ZINC000807249757 1080407963 /nfs/dbraw/zinc/40/79/63/1080407963.db2.gz GLJBJFMYKPFXGF-IBGZPJMESA-N 1 0 422.554 2.990 20 30 HFEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807249988 1080408074 /nfs/dbraw/zinc/40/80/74/1080408074.db2.gz NPBKLWKAGKYZFR-KXBFYZLASA-N 1 0 410.543 2.702 20 30 HFEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC[C@@H]21 ZINC000807249849 1080408137 /nfs/dbraw/zinc/40/81/37/1080408137.db2.gz JEFGTOATRMSKCY-QUCCMNQESA-N 1 0 422.554 2.846 20 30 HFEDRO C=CCOc1ccc(CNC(=O)C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)cc1 ZINC000807288513 1080454775 /nfs/dbraw/zinc/45/47/75/1080454775.db2.gz VYWIXLJAXDWCDJ-UHFFFAOYSA-N 1 0 422.529 2.648 20 30 HFEDRO C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000807405351 1080599041 /nfs/dbraw/zinc/59/90/41/1080599041.db2.gz VOSVGUMUDXRCKE-UHFFFAOYSA-N 1 0 418.541 2.737 20 30 HFEDRO CC(C)Oc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(OCC#N)c2)[NH+](C)C)cc1 ZINC000807510080 1080714511 /nfs/dbraw/zinc/71/45/11/1080714511.db2.gz RMJNMIHDFDMTRW-OAQYLSRUSA-N 1 0 424.501 2.734 20 30 HFEDRO C#C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1)C(C)(C)C ZINC000807536191 1080750897 /nfs/dbraw/zinc/75/08/97/1080750897.db2.gz LYTPZCQVECQBRK-SFHVURJKSA-N 1 0 404.942 2.585 20 30 HFEDRO C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000807544712 1080761332 /nfs/dbraw/zinc/76/13/32/1080761332.db2.gz ZGTMKNVSEYBFHF-QFBILLFUSA-N 1 0 409.461 2.555 20 30 HFEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NCC(C)(C)CCC#N)cc2F)CC1 ZINC000807515635 1080769262 /nfs/dbraw/zinc/76/92/62/1080769262.db2.gz OKIZECCHWPHNEC-UHFFFAOYSA-N 1 0 417.529 2.741 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC)CC1 ZINC000747403824 1080782397 /nfs/dbraw/zinc/78/23/97/1080782397.db2.gz AMZMEGFGIWIJKJ-FQEVSTJZSA-N 1 0 415.534 2.865 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)CC1 ZINC000747405173 1080785625 /nfs/dbraw/zinc/78/56/25/1080785625.db2.gz WHUGMFXKOZLHAS-KRWDZBQOSA-N 1 0 400.498 2.674 20 30 HFEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CCO[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164390107 718826202 /nfs/dbraw/zinc/82/62/02/718826202.db2.gz MMDOEWGUJIFFIR-NVXWUHKLSA-N 1 0 405.836 2.781 20 30 HFEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCN4CC[NH2+]C[C@@H]4C3)cnc2Cl)c1 ZINC001164399882 718844631 /nfs/dbraw/zinc/84/46/31/718844631.db2.gz IYRGWXGCKMATKI-QGZVFWFLSA-N 1 0 403.864 2.912 20 30 HFEDRO CCOC(=O)c1cc(C)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c1C#N ZINC001164813145 720093659 /nfs/dbraw/zinc/09/36/59/720093659.db2.gz SSVDQTNNSFKFNA-FDDCHVKYSA-N 1 0 412.534 2.623 20 30 HFEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(OC)c1C#N)CC2 ZINC001164717360 720110892 /nfs/dbraw/zinc/11/08/92/720110892.db2.gz NQEUYQDBHYGYMD-IBGZPJMESA-N 1 0 407.518 2.864 20 30 HFEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746349 720625218 /nfs/dbraw/zinc/62/52/18/720625218.db2.gz XYCVIVZTELVWSN-UXHICEINSA-N 1 0 416.460 2.891 20 30 HFEDRO N#CCc1cncc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164750949 720904487 /nfs/dbraw/zinc/90/44/87/720904487.db2.gz CGUOBQBHVQVUJM-URXFXBBRSA-N 1 0 418.545 2.693 20 30 HFEDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(C#N)c3cc(Cl)ccc3n1)CC2 ZINC001164754883 720967816 /nfs/dbraw/zinc/96/78/16/720967816.db2.gz ZAKNINMYHFHFBJ-UHFFFAOYSA-N 1 0 424.892 2.602 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc(Cl)nc4C#N)C[C@@H]3C2)cn1 ZINC001164763443 721107786 /nfs/dbraw/zinc/10/77/86/721107786.db2.gz FYDSHOHOUVACNF-GJZGRUSLSA-N 1 0 406.868 2.843 20 30 HFEDRO N#CC1(c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2)CCOCC1 ZINC001164879480 721132218 /nfs/dbraw/zinc/13/22/18/721132218.db2.gz SQNAFUPPIUSQKP-FGZHOGPDSA-N 1 0 419.529 2.528 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(OC)c(C#N)cn1)CC2 ZINC001164790439 721450088 /nfs/dbraw/zinc/45/00/88/721450088.db2.gz ZBJZVOHEDSZSIC-FQEVSTJZSA-N 1 0 414.550 2.696 20 30 HFEDRO Cc1nc(Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1C#N ZINC001164963261 722056377 /nfs/dbraw/zinc/05/63/77/722056377.db2.gz KGFKHLOZGIWISV-UHFFFAOYSA-N 1 0 412.925 2.824 20 30 HFEDRO N#Cc1cc(F)c(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976541 722100169 /nfs/dbraw/zinc/10/01/69/722100169.db2.gz DVHMIVDJRKCSBU-YJBOKZPZSA-N 1 0 401.873 2.868 20 30 HFEDRO C=CC[C@@]1(C(=O)NC2CC[NH+](CCCOC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790572043 1078058487 /nfs/dbraw/zinc/05/84/87/1078058487.db2.gz MYOQMBZOUWIVRB-QFIPXVFZSA-N 1 0 409.571 2.949 20 30 HFEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccnn2-c2ccc(Br)cn2)CC1 ZINC000790579633 1078060635 /nfs/dbraw/zinc/06/06/35/1078060635.db2.gz MPDVZJFYCFTEBO-UHFFFAOYSA-N 1 0 405.300 2.802 20 30 HFEDRO C=CC[NH+]1CCC(NC(=O)NCC2(COC)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000790733072 1078118816 /nfs/dbraw/zinc/11/88/16/1078118816.db2.gz UPXZOBIOJZMLMZ-UHFFFAOYSA-N 1 0 424.586 2.600 20 30 HFEDRO C#CCCCCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790742070 1078121979 /nfs/dbraw/zinc/12/19/79/1078121979.db2.gz MABUIKRQAFTISB-INIZCTEOSA-N 1 0 406.577 2.551 20 30 HFEDRO C#CCNc1nc(NCCc2ccncc2C)[nH+]c(NCCc2ccncc2C)n1 ZINC000804575297 1078615735 /nfs/dbraw/zinc/61/57/35/1078615735.db2.gz NFXAHZPRNLRIBF-UHFFFAOYSA-N 1 0 402.506 2.633 20 30 HFEDRO C#C[C@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)c1ccc(Cl)cc1F ZINC000805003667 1078848644 /nfs/dbraw/zinc/84/86/44/1078848644.db2.gz SFRWJYHCZHZIQE-IBGZPJMESA-N 1 0 415.900 2.800 20 30 HFEDRO N#Cc1ccc(F)c(CNC(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000805158146 1078950220 /nfs/dbraw/zinc/95/02/20/1078950220.db2.gz SQQNYCLVLXOQII-JOCHJYFZSA-N 1 0 421.520 2.799 20 30 HFEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C[C@@H]3C(=O)Nc4c3cccc4F)CC2)c1 ZINC001130341280 1079212865 /nfs/dbraw/zinc/21/28/65/1079212865.db2.gz FEYISIITYBBMCX-IBGZPJMESA-N 1 0 406.461 2.904 20 30 HFEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc4c(c3)NC(=O)CS4)CC2)c1 ZINC001130341587 1079213190 /nfs/dbraw/zinc/21/31/90/1079213190.db2.gz OWBKKAJZUVYVNR-UHFFFAOYSA-N 1 0 406.511 2.997 20 30 HFEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CC(=O)N(c4cccc(F)c4)C3)CC2)c1 ZINC001130341114 1079228726 /nfs/dbraw/zinc/22/87/26/1079228726.db2.gz BOSITEPYIKSJDE-IBGZPJMESA-N 1 0 420.488 2.831 20 30 HFEDRO C#CCNC(=O)C1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@@H+](C)CCC)CC1 ZINC000805753058 1079231616 /nfs/dbraw/zinc/23/16/16/1079231616.db2.gz MTFBYRZBNSNHFD-FQEVSTJZSA-N 1 0 418.969 2.894 20 30 HFEDRO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000805764326 1079265139 /nfs/dbraw/zinc/26/51/39/1079265139.db2.gz CFTHIAQEVUPFKF-IBGZPJMESA-N 1 0 400.523 2.944 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC)c1ccncc1 ZINC000805808928 1079284734 /nfs/dbraw/zinc/28/47/34/1079284734.db2.gz KNBCYDDCDSSTOI-FGZHOGPDSA-N 1 0 421.545 2.723 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805805917 1079282315 /nfs/dbraw/zinc/28/23/15/1079282315.db2.gz GSZOQRHFOGAXQG-VXKWHMMOSA-N 1 0 406.530 2.938 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805808615 1079283670 /nfs/dbraw/zinc/28/36/70/1079283670.db2.gz VSNDSGJUVOZXMG-YADHBBJMSA-N 1 0 406.530 2.938 20 30 HFEDRO CC[NH+](CC)CCO[C@H]1CCN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000746676107 1076749429 /nfs/dbraw/zinc/74/94/29/1076749429.db2.gz SFFHSLCWOJGNDX-IRXDYDNUSA-N 1 0 400.548 2.905 20 30 HFEDRO CCOCCC[N@@H+]1CC[C@H](NCc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H](C)C1 ZINC000787303824 1076751605 /nfs/dbraw/zinc/75/16/05/1076751605.db2.gz MAUCLPBGZKAVFN-RLLQIKCJSA-N 1 0 421.545 2.950 20 30 HFEDRO N#Cc1ncc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)cc1C(F)(F)F ZINC001170074609 1076848991 /nfs/dbraw/zinc/84/89/91/1076848991.db2.gz SRADPARPDAXWPS-UHFFFAOYSA-N 1 0 421.404 2.674 20 30 HFEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCc1cc(C#N)ccc1F)c1ccsc1 ZINC000787617940 1076880685 /nfs/dbraw/zinc/88/06/85/1076880685.db2.gz WAWSYJHWRDMZOZ-GOSISDBHSA-N 1 0 402.495 2.574 20 30 HFEDRO C#CCOc1ccc(C[NH2+]C[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1 ZINC000788529978 1077203850 /nfs/dbraw/zinc/20/38/50/1077203850.db2.gz SUPYZEHBMAXTRM-OAQYLSRUSA-N 1 0 410.489 2.645 20 30 HFEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000788766730 1077282262 /nfs/dbraw/zinc/28/22/62/1077282262.db2.gz SMHCWMZOKKHXLR-IBGZPJMESA-N 1 0 412.534 2.705 20 30 HFEDRO C#CCn1ccc(CN(CC)C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)n1 ZINC000788851406 1077319808 /nfs/dbraw/zinc/31/98/08/1077319808.db2.gz WJAHWKACHCZRKM-NRFANRHFSA-N 1 0 409.534 2.894 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000788898652 1077344011 /nfs/dbraw/zinc/34/40/11/1077344011.db2.gz SWOPBLRWUWZBBT-TZIWHRDSSA-N 1 0 409.534 2.510 20 30 HFEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccc(OC)c(C#N)c3)CC2)cc1 ZINC000746784359 1077383772 /nfs/dbraw/zinc/38/37/72/1077383772.db2.gz DXRBNZTXWQXTSD-UHFFFAOYSA-N 1 0 408.502 2.993 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000789068673 1077396339 /nfs/dbraw/zinc/39/63/39/1077396339.db2.gz YKJRCVQUOKIKLQ-REWPJTCUSA-N 1 0 423.561 2.585 20 30 HFEDRO N#Cc1ccccc1N1CCC(NC(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001170155332 1077407828 /nfs/dbraw/zinc/40/78/28/1077407828.db2.gz NMQOPIOVZKFHDF-RUZDIDTESA-N 1 0 418.541 2.670 20 30 HFEDRO C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CCN(c2cnccn2)CC1 ZINC000789367122 1077540050 /nfs/dbraw/zinc/54/00/50/1077540050.db2.gz QMVCKERFWRVWCR-SFHVURJKSA-N 1 0 413.485 2.614 20 30 HFEDRO CC(=O)N=C1C=CC(C(=O)C(C(=S)NC2(C)CC2)n2ccc(=[N+](C)C)cc2)=CC1 ZINC000789418484 1077550430 /nfs/dbraw/zinc/55/04/30/1077550430.db2.gz GBJSCGRMOMDRRR-UHFFFAOYSA-O 1 0 411.551 2.644 20 30 HFEDRO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000789739243 1077773380 /nfs/dbraw/zinc/77/33/80/1077773380.db2.gz JSDWKBRMBKYGNN-RXVVDRJESA-N 1 0 405.506 2.538 20 30 HFEDRO C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)NC(=O)OC(C)(C)C ZINC000792257337 1077783009 /nfs/dbraw/zinc/78/30/09/1077783009.db2.gz KJHWPRAEFGUZCL-KRWDZBQOSA-N 1 0 415.538 2.689 20 30 HFEDRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3ccc(F)c(C#N)c3)cc2)CC1 ZINC000792307080 1077798167 /nfs/dbraw/zinc/79/81/67/1077798167.db2.gz OGDGVOVISGWMHW-UHFFFAOYSA-N 1 0 410.449 2.635 20 30 HFEDRO N#Cc1cc(Br)cc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)n1 ZINC001170171215 1077904983 /nfs/dbraw/zinc/90/49/83/1077904983.db2.gz XTFIQMUROLYJMS-UHFFFAOYSA-N 1 0 401.268 2.584 20 30 HFEDRO CCOC(=O)c1ccc(OC(=O)CCCCCNC(=[NH2+])Nc2ncc(C#N)cn2)cc1 ZINC001170269363 1077923193 /nfs/dbraw/zinc/92/31/93/1077923193.db2.gz JNDXPYIOMVRCJI-UHFFFAOYSA-N 1 0 424.461 2.627 20 30 HFEDRO COC(=O)c1coc(C(=O)C(C(=S)Nc2ccsc2)[n+]2cccc(CO)c2)c1 ZINC000790117386 1077943802 /nfs/dbraw/zinc/94/38/02/1077943802.db2.gz HEVYAUJJWSXCKB-UHFFFAOYSA-O 1 0 417.488 2.958 20 30 HFEDRO N#CC1(c2ccccc2)CCC(N([C@H]2CC[NH2+]C2)S(=O)(=O)c2ccccn2)CC1 ZINC001170398332 1077960829 /nfs/dbraw/zinc/96/08/29/1077960829.db2.gz NQBDXZHIDQFMIC-FUHYEJFZSA-N 1 0 410.543 2.838 20 30 HFEDRO COCCN1CCN(C)C2(CC[NH+](C3CCC(C#N)(c4ccccc4)CC3)CC2)C1=O ZINC001170384094 1077964562 /nfs/dbraw/zinc/96/45/62/1077964562.db2.gz VENGPNZJAFOQTQ-UHFFFAOYSA-N 1 0 424.589 2.646 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccccc1F ZINC000792748315 1077983947 /nfs/dbraw/zinc/98/39/47/1077983947.db2.gz CJFRENXGMSKGOI-MAUKXSAKSA-N 1 0 418.538 2.627 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1CC ZINC000792749210 1077984381 /nfs/dbraw/zinc/98/43/81/1077984381.db2.gz NXPWVCWUVISVNA-HKUYNNGSSA-N 1 0 414.575 2.660 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(CC)cc1 ZINC000792748634 1077984675 /nfs/dbraw/zinc/98/46/75/1077984675.db2.gz OGUMOWWZTRLMFI-MOPGFXCFSA-N 1 0 414.575 2.660 20 30 HFEDRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000790292271 1077987576 /nfs/dbraw/zinc/98/75/76/1077987576.db2.gz AGYOIXAMPZIAMR-UHFFFAOYSA-N 1 0 403.404 2.987 20 30 HFEDRO CCOC(=O)C1=C(N=c2[nH]c3ccc([N+](=O)[O-])cc3c(Cl)c2C#N)CC[NH2+]C1 ZINC001170514862 1080140822 /nfs/dbraw/zinc/14/08/22/1080140822.db2.gz AVCVPNZTUPOOQQ-UHFFFAOYSA-N 1 0 401.810 2.890 20 30 HFEDRO C#CC[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1)c1ccccc1 ZINC000806951906 1080160338 /nfs/dbraw/zinc/16/03/38/1080160338.db2.gz PPWLCMFNXBQVFW-OAQYLSRUSA-N 1 0 420.513 2.786 20 30 HFEDRO COc1ccc(CNC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)cc1C#N ZINC000807117745 1080292983 /nfs/dbraw/zinc/29/29/83/1080292983.db2.gz CDZWRILNCGSYHH-UHFFFAOYSA-N 1 0 403.486 2.922 20 30 HFEDRO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)c2)s1 ZINC000807249640 1080408831 /nfs/dbraw/zinc/40/88/31/1080408831.db2.gz BEWZSKFBMJSTFE-GOSISDBHSA-N 1 0 422.554 2.847 20 30 HFEDRO CCOC(=O)C1C[N@H+](Cc2ccccc2)CCC1=Nc1nc(C#N)c(C#N)nc1C ZINC001170522049 1080495432 /nfs/dbraw/zinc/49/54/32/1080495432.db2.gz VQDDQHCEAILQMM-UHFFFAOYSA-N 1 0 402.458 2.663 20 30 HFEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000807466586 1080644321 /nfs/dbraw/zinc/64/43/21/1080644321.db2.gz XMYILWVVWIHWSW-NOZRDPDXSA-N 1 0 405.542 2.899 20 30 HFEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000807467602 1080645095 /nfs/dbraw/zinc/64/50/95/1080645095.db2.gz VPTQEUMQLZIKJN-QHCPKHFHSA-N 1 0 424.589 2.645 20 30 HFEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000807469771 1080648818 /nfs/dbraw/zinc/64/88/18/1080648818.db2.gz LHAXOEWPNKUHCT-RBZQAINGSA-N 1 0 405.542 2.803 20 30 HFEDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(Cl)nc(Cl)c1C#N ZINC001164614043 719012307 /nfs/dbraw/zinc/01/23/07/719012307.db2.gz BNNIFOSZVNTVNS-UWJYBYFXSA-N 1 0 405.232 2.535 20 30 HFEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cnc1C#N)CC2 ZINC001164712683 720104792 /nfs/dbraw/zinc/10/47/92/720104792.db2.gz XXWBQTDSJZLZNA-KRWDZBQOSA-N 1 0 412.925 2.904 20 30 HFEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc3c(cc2C#N)CCCC3)CC1 ZINC001164821730 720337759 /nfs/dbraw/zinc/33/77/59/720337759.db2.gz BONGWWXZUQPTHA-YADHBBJMSA-N 1 0 407.562 2.744 20 30 HFEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc(CC#N)cc2Cl)CC1 ZINC001164827870 720347940 /nfs/dbraw/zinc/34/79/40/720347940.db2.gz MXVQTASVVUDLNY-RBUKOAKNSA-N 1 0 401.942 2.713 20 30 HFEDRO Cc1ncc(C#N)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757474 720883362 /nfs/dbraw/zinc/88/33/62/720883362.db2.gz VCUDZDOBLSRDLW-VWNXMTODSA-N 1 0 418.545 2.807 20 30 HFEDRO N#CCc1cncc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164750957 720904233 /nfs/dbraw/zinc/90/42/33/720904233.db2.gz CGUOBQBHVQVUJM-ZJSXRUAMSA-N 1 0 418.545 2.693 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)cc4C#N)C[C@@H]3C2)cn1 ZINC001164770168 721173707 /nfs/dbraw/zinc/17/37/07/721173707.db2.gz NZYVDRCEAFFQJZ-ZBFHGGJFSA-N 1 0 406.868 2.843 20 30 HFEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)c(F)cc4C#N)C3)O2)CC1 ZINC001164890946 721381613 /nfs/dbraw/zinc/38/16/13/721381613.db2.gz PMWPKTNMOZYTIS-OXJNMPFZSA-N 1 0 407.921 2.511 20 30 HFEDRO Cc1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1C#N ZINC001164885033 721384822 /nfs/dbraw/zinc/38/48/22/721384822.db2.gz BXEJHKVQYIDSBU-UTKZUKDTSA-N 1 0 403.958 2.681 20 30 HFEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(C#N)c5ccccc5n4)C3)O2)CC1 ZINC001164893081 721434182 /nfs/dbraw/zinc/43/41/82/721434182.db2.gz IYMHOTLSOJLMOW-GBXCKJPGSA-N 1 0 405.546 2.872 20 30 HFEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc(CC#N)cc4Cl)C3)O2)CC1 ZINC001164889579 721444198 /nfs/dbraw/zinc/44/41/98/721444198.db2.gz BVOGKBHACPPRSX-WIYYLYMNSA-N 1 0 403.958 2.566 20 30 HFEDRO N#Cc1ccc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164982749 722105646 /nfs/dbraw/zinc/10/56/46/722105646.db2.gz ONMFLMKXRFRKSI-DENIHFKCSA-N 1 0 400.486 2.624 20 30 HFEDRO C=CC[C@@]1(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000790629494 1078067777 /nfs/dbraw/zinc/06/77/77/1078067777.db2.gz OJNGRSZUSUKTDM-MBSDFSHPSA-N 1 0 420.598 2.617 20 30 HFEDRO C=CC[C@]1(C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790634117 1078069605 /nfs/dbraw/zinc/06/96/05/1078069605.db2.gz RAQDBWDFSZBYFP-WMZHIEFXSA-N 1 0 422.614 2.722 20 30 HFEDRO C=CC[C@]1(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000790677171 1078087963 /nfs/dbraw/zinc/08/79/63/1078087963.db2.gz RAZPWXGERFZLSD-XMSQKQJNSA-N 1 0 407.555 2.513 20 30 HFEDRO N#Cc1ccc(O[C@@H]2CCN(C(=S)NC3CC[NH+](Cc4ccccc4)CC3)C2)nc1 ZINC000793266944 1078113970 /nfs/dbraw/zinc/11/39/70/1078113970.db2.gz OSHLSFPPACYQHB-OAQYLSRUSA-N 1 0 421.570 2.945 20 30 HFEDRO CN1CC[NH+](CC2(C)CCN(C(=O)C#Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000790883292 1078170015 /nfs/dbraw/zinc/17/00/15/1078170015.db2.gz BWLQMFLDMPKZIO-UHFFFAOYSA-N 1 0 407.480 2.933 20 30 HFEDRO C#CCNc1nc(NCCc2cccc(C)n2)[nH+]c(NCCc2cccc(C)n2)n1 ZINC000804678551 1078514900 /nfs/dbraw/zinc/51/49/00/1078514900.db2.gz JEJHDCLEMDKGNL-UHFFFAOYSA-N 1 0 402.506 2.633 20 30 HFEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000804726257 1078552688 /nfs/dbraw/zinc/55/26/88/1078552688.db2.gz ILUIOUYUJPXLGH-MRXNPFEDSA-N 1 0 408.340 2.795 20 30 HFEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC001129742863 1078715667 /nfs/dbraw/zinc/71/56/67/1078715667.db2.gz VWZOXCBVHRGYPX-XZOQPEGZSA-N 1 0 416.525 2.675 20 30 HFEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000804944978 1078774441 /nfs/dbraw/zinc/77/44/41/1078774441.db2.gz LUQXLDIEJUNJFU-MRXNPFEDSA-N 1 0 408.477 2.655 20 30 HFEDRO C#C[C@@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)c1ccc(Cl)cc1F ZINC000805003668 1078848806 /nfs/dbraw/zinc/84/88/06/1078848806.db2.gz SFRWJYHCZHZIQE-LJQANCHMSA-N 1 0 415.900 2.800 20 30 HFEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CN(Cc4ccccc4)CCO3)CC2)c1 ZINC001130341411 1079213059 /nfs/dbraw/zinc/21/30/59/1079213059.db2.gz LEGILQLCCMNGSQ-DEOSSOPVSA-N 1 0 418.541 2.540 20 30 HFEDRO Cn1cnc(-c2ccc(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)cc2)n1 ZINC001130341838 1079213539 /nfs/dbraw/zinc/21/35/39/1079213539.db2.gz ULXFILBGCSJSNQ-UHFFFAOYSA-N 1 0 400.486 2.748 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805805797 1079281869 /nfs/dbraw/zinc/28/18/69/1079281869.db2.gz FFRSUBIEROAAGZ-ZJSXRUAMSA-N 1 0 406.530 2.843 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)c1ccncc1 ZINC000805806139 1079282226 /nfs/dbraw/zinc/28/22/26/1079282226.db2.gz IZQXAPKFGOQVFH-SIKLNZKXSA-N 1 0 406.530 2.938 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000805808623 1079283645 /nfs/dbraw/zinc/28/36/45/1079283645.db2.gz HXPMQCXSOACECQ-KNQAVFIVSA-N 1 0 406.530 2.938 20 30 HFEDRO CCc1nnc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)c(C#N)c1CC ZINC001170489704 1079294645 /nfs/dbraw/zinc/29/46/45/1079294645.db2.gz MENUAAUQDAMEKA-KLAILNCOSA-N 1 0 406.534 2.845 20 30 HFEDRO C#CCNC(=O)C[N@H+]1CCCC[C@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000788275537 1077095509 /nfs/dbraw/zinc/09/55/09/1077095509.db2.gz NLWOVYORNWFICO-RTWAWAEBSA-N 1 0 413.562 2.974 20 30 HFEDRO C=CCSc1nc2ccccc2n1C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000788388238 1077139593 /nfs/dbraw/zinc/13/95/93/1077139593.db2.gz QUAYGDISDMJBAM-INIZCTEOSA-N 1 0 406.577 2.772 20 30 HFEDRO Cc1c(NC(=S)NN=C2CCC[C@@H]([NH+](C)C)C2)c(=O)n(-c2ccccc2)n1C ZINC000788415907 1077158150 /nfs/dbraw/zinc/15/81/50/1077158150.db2.gz SJUJKGYHUFKSSG-QGZVFWFLSA-N 1 0 400.552 2.631 20 30 HFEDRO C#CCn1ccc(CN(CC)C(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)n1 ZINC000788863860 1077323883 /nfs/dbraw/zinc/32/38/83/1077323883.db2.gz HQTAMAZNHSDESW-UHFFFAOYSA-N 1 0 422.577 2.569 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)n1 ZINC000788866147 1077324246 /nfs/dbraw/zinc/32/42/46/1077324246.db2.gz CYRBHBMNRKNPRI-JOCHJYFZSA-N 1 0 409.534 2.511 20 30 HFEDRO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000746810161 1077551122 /nfs/dbraw/zinc/55/11/22/1077551122.db2.gz CTRGNDSCVNBGDK-GOSISDBHSA-N 1 0 417.868 2.849 20 30 HFEDRO C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000746813020 1077573971 /nfs/dbraw/zinc/57/39/71/1077573971.db2.gz XLDZBXYAJRBPEP-KRWDZBQOSA-N 1 0 411.477 2.803 20 30 HFEDRO C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000746813021 1077574002 /nfs/dbraw/zinc/57/40/02/1077574002.db2.gz XLDZBXYAJRBPEP-QGZVFWFLSA-N 1 0 411.477 2.803 20 30 HFEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)c1ccc(Cl)cc1 ZINC000746814012 1077577998 /nfs/dbraw/zinc/57/79/98/1077577998.db2.gz QTYOBVOMMDBDMC-SFHVURJKSA-N 1 0 400.866 2.600 20 30 HFEDRO C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)ccc1F ZINC000746846271 1077728552 /nfs/dbraw/zinc/72/85/52/1077728552.db2.gz CVPXYEKIGPZBSQ-BQFCYCMXSA-N 1 0 423.554 2.767 20 30 HFEDRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CC(=O)N[C@](C)(C#N)C1CC1)CC2 ZINC000792326102 1077807728 /nfs/dbraw/zinc/80/77/28/1077807728.db2.gz HHCULRLJMCIWLA-OAQYLSRUSA-N 1 0 404.555 2.908 20 30 HFEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](N3CCOCC3)CC1)CCC2 ZINC001170216042 1077909318 /nfs/dbraw/zinc/90/93/18/1077909318.db2.gz HDCSLGZBMWUAER-MRXNPFEDSA-N 1 0 402.564 2.624 20 30 HFEDRO COC(OC)c1c(C#C[Si](C)(C)C)ccnc1NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170272328 1077925562 /nfs/dbraw/zinc/92/55/62/1077925562.db2.gz IJOZAZRGHNDLTE-HLIPFELVSA-N 1 0 421.614 2.739 20 30 HFEDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2nc3ccc([N+](=O)[O-])cc3c(Cl)c2C#N)O1 ZINC001170276545 1077928459 /nfs/dbraw/zinc/92/84/59/1077928459.db2.gz CZJXXSCIMVKMKU-RKVPGOIHSA-N 1 0 405.842 2.805 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000790104701 1077950306 /nfs/dbraw/zinc/95/03/06/1077950306.db2.gz KVDGQVBSWLJJIX-NRFANRHFSA-N 1 0 422.573 2.835 20 30 HFEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC(CO)([NH2+]CC(C)C)CC2)c1C ZINC001170366538 1077951172 /nfs/dbraw/zinc/95/11/72/1077951172.db2.gz YVPCGCZZEPKTNM-UHFFFAOYSA-N 1 0 400.567 2.623 20 30 HFEDRO C[NH+]1CCN(c2ccc(CNC(=O)C#Cc3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000790252186 1077977607 /nfs/dbraw/zinc/97/76/07/1077977607.db2.gz MUKLJQKNMOQSEX-UHFFFAOYSA-N 1 0 402.420 2.520 20 30 HFEDRO C=CCCCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1F ZINC000790279921 1077983299 /nfs/dbraw/zinc/98/32/99/1077983299.db2.gz VBZLVVIUJWYMBL-KRWDZBQOSA-N 1 0 406.527 2.791 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cc(C)ccc1F ZINC000792748399 1077983868 /nfs/dbraw/zinc/98/38/68/1077983868.db2.gz OZGPMCCGVYWGSP-QAPCUYQASA-N 1 0 418.538 2.545 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccccc1F ZINC000792748319 1077984146 /nfs/dbraw/zinc/98/41/46/1077984146.db2.gz CJFRENXGMSKGOI-YJBOKZPZSA-N 1 0 418.538 2.627 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1cccc(C)c1 ZINC000792749436 1077984440 /nfs/dbraw/zinc/98/44/40/1077984440.db2.gz HEJWGYXNLHAWBB-RBUKOAKNSA-N 1 0 414.575 2.796 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cccc(CC)c1 ZINC000792749933 1077984863 /nfs/dbraw/zinc/98/48/63/1077984863.db2.gz RRKSSVIRXWEAPS-OALUTQOASA-N 1 0 414.575 2.660 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cc(C)ccc1C ZINC000792750073 1077984881 /nfs/dbraw/zinc/98/48/81/1077984881.db2.gz IQTNBWCSFPKVDZ-PKOBYXMFSA-N 1 0 414.575 2.715 20 30 HFEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)CC1 ZINC000792953158 1078034189 /nfs/dbraw/zinc/03/41/89/1078034189.db2.gz NAZQONVILKDZSC-HXUWFJFHSA-N 1 0 414.550 2.985 20 30 HFEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CC(c4cccc(F)c4)=NO3)CC2)c1 ZINC001130563448 1079517219 /nfs/dbraw/zinc/51/72/19/1079517219.db2.gz OINWFRQNIFMSJT-JOCHJYFZSA-N 1 0 406.461 2.971 20 30 HFEDRO C#CCOc1ccc(NC(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000806262795 1079527901 /nfs/dbraw/zinc/52/79/01/1079527901.db2.gz RIBVALARYPEIDL-UHFFFAOYSA-N 1 0 406.530 2.980 20 30 HFEDRO C#C[C@H](NC(=O)C(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000807536780 1080752259 /nfs/dbraw/zinc/75/22/59/1080752259.db2.gz ZVVJRVALLXEMRS-PMACEKPBSA-N 1 0 421.545 2.741 20 30 HFEDRO C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1)C(C)(C)C ZINC000807536825 1080752382 /nfs/dbraw/zinc/75/23/82/1080752382.db2.gz QXXMWUSCPFHGBE-IBGZPJMESA-N 1 0 418.969 2.975 20 30 HFEDRO C#C[C@H](NC(=O)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000807536781 1080752410 /nfs/dbraw/zinc/75/24/10/1080752410.db2.gz ZVVJRVALLXEMRS-UXHICEINSA-N 1 0 421.545 2.741 20 30 HFEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000807543096 1080758649 /nfs/dbraw/zinc/75/86/49/1080758649.db2.gz BCOBMXNIZRCVOJ-ZIFCJYIRSA-N 1 0 406.486 2.695 20 30 HFEDRO C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000807544710 1080761781 /nfs/dbraw/zinc/76/17/81/1080761781.db2.gz ZGTMKNVSEYBFHF-APWZRJJASA-N 1 0 409.461 2.555 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](CC(C)C)NC(=O)NCc2ccc(C)cc2)CC1 ZINC000747404328 1080789272 /nfs/dbraw/zinc/78/92/72/1080789272.db2.gz IMPLOMOVZDUPIB-JOCHJYFZSA-N 1 0 412.578 2.813 20 30 HFEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(OC)c1C#N)CC2 ZINC001164717361 720110382 /nfs/dbraw/zinc/11/03/82/720110382.db2.gz NQEUYQDBHYGYMD-LJQANCHMSA-N 1 0 407.518 2.864 20 30 HFEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3c(C#N)c[nH]c3n1)CC2 ZINC001164712664 720131988 /nfs/dbraw/zinc/13/19/88/720131988.db2.gz OAKVEFDBUOZEFU-LJQANCHMSA-N 1 0 417.517 2.732 20 30 HFEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)c(F)cc2C#N)CC1 ZINC001164820254 720289786 /nfs/dbraw/zinc/28/97/86/720289786.db2.gz VGBWYESHSWZLHY-SJORKVTESA-N 1 0 405.905 2.657 20 30 HFEDRO Cc1cc(Cl)nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C#N ZINC001164826663 720294001 /nfs/dbraw/zinc/29/40/01/720294001.db2.gz WDQKSXSLSYLFLT-QZTJIDSGSA-N 1 0 401.942 2.827 20 30 HFEDRO Cc1nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)cc1C#N ZINC001164821787 720352946 /nfs/dbraw/zinc/35/29/46/720352946.db2.gz BZJNIZOXYFFPJD-MOPGFXCFSA-N 1 0 401.942 2.827 20 30 HFEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164733423 720463670 /nfs/dbraw/zinc/46/36/70/720463670.db2.gz PLCKWQYTZREYBM-QRVBRYPASA-N 1 0 420.517 2.674 20 30 HFEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc4c(cc3C#N)COCC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837761 720629932 /nfs/dbraw/zinc/62/99/32/720629932.db2.gz JHHYXLXFVIRILT-RCZSKKKRSA-N 1 0 406.534 2.600 20 30 HFEDRO Cc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164746836 720741902 /nfs/dbraw/zinc/74/19/02/720741902.db2.gz YUORESNZHKTFIQ-PMACEKPBSA-N 1 0 407.594 2.751 20 30 HFEDRO N#Cc1cc(F)c(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741719 720810569 /nfs/dbraw/zinc/81/05/69/720810569.db2.gz BQBGQFZYOINXTI-SOLBZPMBSA-N 1 0 415.904 2.717 20 30 HFEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc([C@@H](C#N)c4ccc(C)cc4)nn3)CC[C@H]2C1 ZINC001164854784 720836716 /nfs/dbraw/zinc/83/67/16/720836716.db2.gz SHMPPQQGLSPNJW-QNWVGRARSA-N 1 0 421.545 2.614 20 30 HFEDRO Cc1nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(C#N)c(C)c1Cl ZINC001164884364 721385222 /nfs/dbraw/zinc/38/52/22/721385222.db2.gz AKRGWHJCWXSGMI-XMSQKQJNSA-N 1 0 417.985 2.989 20 30 HFEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(C#N)c5ccccc5n4)C3)O2)CC1 ZINC001164893083 721434069 /nfs/dbraw/zinc/43/40/69/721434069.db2.gz IYMHOTLSOJLMOW-HYBUGGRVSA-N 1 0 405.546 2.872 20 30 HFEDRO Cc1nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(Cl)cc1C#N ZINC001164885338 721451271 /nfs/dbraw/zinc/45/12/71/721451271.db2.gz DFBVQJOPKLEWRE-NQIIRXRSSA-N 1 0 403.958 2.681 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(F)cc1C#N)CC2 ZINC001164790161 721453285 /nfs/dbraw/zinc/45/32/85/721453285.db2.gz XBSOAALHYZPKJH-HXUWFJFHSA-N 1 0 402.514 2.826 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc(Cl)c1C#N)CC2 ZINC001164789415 721453733 /nfs/dbraw/zinc/45/37/33/721453733.db2.gz VPAKVOFTIZQZPQ-QGZVFWFLSA-N 1 0 419.957 2.736 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(F)c1C#N)CC2 ZINC001164784670 721461933 /nfs/dbraw/zinc/46/19/33/721461933.db2.gz JIKCICACNNULNS-SFHVURJKSA-N 1 0 402.514 2.826 20 30 HFEDRO N#Cc1c[nH]c2nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)ncc12 ZINC001164906230 721718167 /nfs/dbraw/zinc/71/81/67/721718167.db2.gz LJZTXFUHQKXBKQ-HXUWFJFHSA-N 1 0 409.444 2.962 20 30 HFEDRO CCc1nc(C#N)c(C#N)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164912259 721733846 /nfs/dbraw/zinc/73/38/46/721733846.db2.gz NLDZZZCXKHJZGK-OAQYLSRUSA-N 1 0 423.471 2.915 20 30 HFEDRO Cc1nc(C#N)c(N2CCC(C(=O)N(CCc3ccccc3)CC[NH+](C)C)CC2)o1 ZINC000793108304 1078080799 /nfs/dbraw/zinc/08/07/99/1078080799.db2.gz YILPHCQGOOIQFT-UHFFFAOYSA-N 1 0 409.534 2.704 20 30 HFEDRO C#C[C@@H](CCC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1C ZINC000790697311 1078098901 /nfs/dbraw/zinc/09/89/01/1078098901.db2.gz ISPWRWKRQAJISI-HKUYNNGSSA-N 1 0 414.575 2.796 20 30 HFEDRO C#C[C@@H](CCC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cccc(C)c1 ZINC000790696506 1078099021 /nfs/dbraw/zinc/09/90/21/1078099021.db2.gz HABIPKBWBORWCL-RBUKOAKNSA-N 1 0 414.575 2.796 20 30 HFEDRO C#C[C@@H](CCC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790728634 1078117744 /nfs/dbraw/zinc/11/77/44/1078117744.db2.gz VTPRAVUAWDRJAJ-JKSUJKDBSA-N 1 0 406.577 2.549 20 30 HFEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000804465287 1078528305 /nfs/dbraw/zinc/52/83/05/1078528305.db2.gz IVAHCWGZEXCGSK-UHFFFAOYSA-N 1 0 421.538 2.666 20 30 HFEDRO C=CCNS(=O)(=O)c1cc(C(=O)N(CCC)CC[NH+]2CCCCC2)ccc1F ZINC000804566983 1078602383 /nfs/dbraw/zinc/60/23/83/1078602383.db2.gz IXTWRMOJIGVBRW-UHFFFAOYSA-N 1 0 411.543 2.628 20 30 HFEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CC(C)C)C[C@H](O)c2ccc(F)cc2)CC1 ZINC000804897949 1078754461 /nfs/dbraw/zinc/75/44/61/1078754461.db2.gz DHVJNYQFJGLBTO-NRFANRHFSA-N 1 0 419.541 2.500 20 30 HFEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000804899310 1078754968 /nfs/dbraw/zinc/75/49/68/1078754968.db2.gz VBDKUQNVDPZGOK-UHFFFAOYSA-N 1 0 411.502 2.671 20 30 HFEDRO CSc1nc(C)c(C#N)c(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)n1 ZINC001170486040 1079206264 /nfs/dbraw/zinc/20/62/64/1079206264.db2.gz ALUXTOCFFSFMQN-IUDNXUCKSA-N 1 0 410.547 2.750 20 30 HFEDRO C=CCOc1ccc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)nc1C#N ZINC001170489728 1079295002 /nfs/dbraw/zinc/29/50/02/1079295002.db2.gz MXAAWOZODBBGAB-WWDZGPRUSA-N 1 0 405.502 2.890 20 30 HFEDRO CCOCCC[N@@H+]1CC[C@H](NCc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H](C)C1 ZINC000787303827 1076751533 /nfs/dbraw/zinc/75/15/33/1076751533.db2.gz MAUCLPBGZKAVFN-SXLOBPIMSA-N 1 0 421.545 2.950 20 30 HFEDRO C#CCN(C(=O)C(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C)C1CCCC1 ZINC000787753564 1076927979 /nfs/dbraw/zinc/92/79/79/1076927979.db2.gz YZOHZXKUFSNOJT-QFIPXVFZSA-N 1 0 409.574 2.980 20 30 HFEDRO COc1ccc(CCS(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000788596402 1077217571 /nfs/dbraw/zinc/21/75/71/1077217571.db2.gz FNEDGMCWVLOUAA-UHFFFAOYSA-N 1 0 401.532 2.503 20 30 HFEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000788749140 1077289800 /nfs/dbraw/zinc/28/98/00/1077289800.db2.gz YRXPVHLBABLNSA-LJQANCHMSA-N 1 0 412.534 2.705 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000788898649 1077344097 /nfs/dbraw/zinc/34/40/97/1077344097.db2.gz SWOPBLRWUWZBBT-PZJWPPBQSA-N 1 0 409.534 2.510 20 30 HFEDRO C#CCn1ccc(CN(CC)[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000789329010 1077522280 /nfs/dbraw/zinc/52/22/80/1077522280.db2.gz HWSJCEYHSAASKH-HXUWFJFHSA-N 1 0 407.562 2.508 20 30 HFEDRO C[C@@H]1CC[C@@H]([N@H+](CC(=O)N2C[C@@H](F)C[C@H]2C#N)C(C)(C)CC(=O)N2CCCC2)C1 ZINC001170159224 1077537024 /nfs/dbraw/zinc/53/70/24/1077537024.db2.gz RRHVUQPJZVPFAV-HCXYKTFWSA-N 1 0 406.546 2.731 20 30 HFEDRO C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746807653 1077565621 /nfs/dbraw/zinc/56/56/21/1077565621.db2.gz PPGHMBXWNRMQSN-HXUWFJFHSA-N 1 0 423.488 2.899 20 30 HFEDRO CC[NH+]1CCN(c2ccc(C(=O)O[C@@H]3CCCN(c4cc(C#N)ccn4)C3)cc2)CC1 ZINC000791975195 1077617238 /nfs/dbraw/zinc/61/72/38/1077617238.db2.gz IGGCOVFWWDBTMQ-JOCHJYFZSA-N 1 0 419.529 2.921 20 30 HFEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000789714753 1077753779 /nfs/dbraw/zinc/75/37/79/1077753779.db2.gz BELAZWXJTRIENK-QGZVFWFLSA-N 1 0 408.329 2.950 20 30 HFEDRO C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000792453889 1077856331 /nfs/dbraw/zinc/85/63/31/1077856331.db2.gz VNZGLUZWBCBEGF-SFHVURJKSA-N 1 0 412.534 2.748 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000790105394 1077950802 /nfs/dbraw/zinc/95/08/02/1077950802.db2.gz HEQQIQFXBRPIJV-HXUWFJFHSA-N 1 0 412.509 2.543 20 30 HFEDRO CN(C)C(=O)NC[C@H]1OC[C@@H]2CC[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]21 ZINC001170383102 1077964378 /nfs/dbraw/zinc/96/43/78/1077964378.db2.gz HWMJLCVURYVBQK-WDOMSKHVSA-N 1 0 410.562 2.999 20 30 HFEDRO C=CC[C@]1(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CCCN1C(=O)OC(C)(C)C ZINC000790250764 1077977172 /nfs/dbraw/zinc/97/71/72/1077977172.db2.gz YZWVNJZGDXNDKH-NPPFBWRTSA-N 1 0 409.571 2.948 20 30 HFEDRO C=CCCCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(F)cc1F ZINC000790280714 1077983965 /nfs/dbraw/zinc/98/39/65/1077983965.db2.gz KDDFVYWTAAMAGD-QGZVFWFLSA-N 1 0 424.517 2.930 20 30 HFEDRO C[NH+]1CCN(c2cc(CNC(=O)C#Cc3ccc(C(F)(F)F)cc3)ccn2)CC1 ZINC000790334477 1078006198 /nfs/dbraw/zinc/00/61/98/1078006198.db2.gz YDAILTMYQSBOGM-UHFFFAOYSA-N 1 0 402.420 2.520 20 30 HFEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCN(c3cc[nH+]cc3OC)CC2)c1 ZINC000792940342 1078022159 /nfs/dbraw/zinc/02/21/59/1078022159.db2.gz QPAKSBHSTVFDPA-GOSISDBHSA-N 1 0 409.490 2.803 20 30 HFEDRO C[C@@H](C#N)N(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)C1CC1 ZINC001130671274 1079821203 /nfs/dbraw/zinc/82/12/03/1079821203.db2.gz DKNVQYWHZGQKTE-KRWDZBQOSA-N 1 0 400.523 2.916 20 30 HFEDRO C[C@H]1C[C@H](NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C[N@@H+]1C1CC1 ZINC000807249941 1080407424 /nfs/dbraw/zinc/40/74/24/1080407424.db2.gz MKDBMSGAOVWQCM-YOEHRIQHSA-N 1 0 408.527 2.644 20 30 HFEDRO CCOC(=O)C1C[N@H+](Cc2ccccc2)CCC1=Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC001170522051 1080495552 /nfs/dbraw/zinc/49/55/52/1080495552.db2.gz VSZWCAOLNPHOID-UHFFFAOYSA-N 1 0 407.430 2.996 20 30 HFEDRO C#CCOc1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000807355735 1080517687 /nfs/dbraw/zinc/51/76/87/1080517687.db2.gz XVUGJGUSVMDYIZ-VWLOTQADSA-N 1 0 417.509 2.762 20 30 HFEDRO C#C[C@H](NC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)c1ccc(Cl)cc1F ZINC000807331190 1080529098 /nfs/dbraw/zinc/52/90/98/1080529098.db2.gz TVEROESQPDNWAW-IBGZPJMESA-N 1 0 417.868 2.849 20 30 HFEDRO C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000807407789 1080602425 /nfs/dbraw/zinc/60/24/25/1080602425.db2.gz STSDXESACWGCLM-UHFFFAOYSA-N 1 0 407.539 2.836 20 30 HFEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000807466587 1080644392 /nfs/dbraw/zinc/64/43/92/1080644392.db2.gz XMYILWVVWIHWSW-UKILVPOCSA-N 1 0 405.542 2.899 20 30 HFEDRO C#C[C@H](NC(=O)C(=O)Nc1c(C)cnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000807535931 1080751356 /nfs/dbraw/zinc/75/13/56/1080751356.db2.gz GUTDUKLTVVDKPP-PMACEKPBSA-N 1 0 421.545 2.741 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)CC1 ZINC000747405174 1080785648 /nfs/dbraw/zinc/78/56/48/1080785648.db2.gz WHUGMFXKOZLHAS-QGZVFWFLSA-N 1 0 400.498 2.674 20 30 HFEDRO N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)cnc2Cl)cc1 ZINC001164408246 718855085 /nfs/dbraw/zinc/85/50/85/718855085.db2.gz ROMJRYJFVGDTFH-APWZRJJASA-N 1 0 404.848 2.837 20 30 HFEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(C3(C#N)CCOCC3)cn1)C2 ZINC001164816240 720156151 /nfs/dbraw/zinc/15/61/51/720156151.db2.gz KGWLVMNJVAKHGH-ZJSXRUAMSA-N 1 0 410.562 2.838 20 30 HFEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4c(cc3C#N)COCC4)CC[C@@H]21 ZINC001164837762 720629395 /nfs/dbraw/zinc/62/93/95/720629395.db2.gz JHHYXLXFVIRILT-VCOUNFBDSA-N 1 0 406.534 2.600 20 30 HFEDRO N#Cc1cc(F)c(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741694 720810541 /nfs/dbraw/zinc/81/05/41/720810541.db2.gz BQBGQFZYOINXTI-JFIYKMOQSA-N 1 0 415.904 2.717 20 30 HFEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(F)cc4)ccc3C#N)CC[C@H]2C1 ZINC001164852985 720835824 /nfs/dbraw/zinc/83/58/24/720835824.db2.gz MVFBQHSUKWBFNW-SIKLNZKXSA-N 1 0 410.493 2.933 20 30 HFEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4ccccc4c(Cl)c3C#N)CC[C@@H]2C1 ZINC001164864450 720873761 /nfs/dbraw/zinc/87/37/61/720873761.db2.gz VUESBOHPDLNBJR-DNVCBOLYSA-N 1 0 400.910 2.933 20 30 HFEDRO Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C#N)n1 ZINC001164753480 720893961 /nfs/dbraw/zinc/89/39/61/720893961.db2.gz HBLRZPDLWHEBBW-QPPBQGQZSA-N 1 0 418.545 2.807 20 30 HFEDRO Cc1nc(C#N)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754242 720935872 /nfs/dbraw/zinc/93/58/72/720935872.db2.gz VFDYTRXBBWITKZ-QPPBQGQZSA-N 1 0 418.545 2.807 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)ncc4C#N)C[C@@H]3C2)cn1 ZINC001164771777 721141201 /nfs/dbraw/zinc/14/12/01/721141201.db2.gz TVQDTOJGGPFQGO-ZBFHGGJFSA-N 1 0 406.868 2.843 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(OC)c1C#N)CC2 ZINC001164786907 721457339 /nfs/dbraw/zinc/45/73/39/721457339.db2.gz QMLIYAOEMBWVDM-IBGZPJMESA-N 1 0 414.550 2.696 20 30 HFEDRO COC(=O)c1cc(C#N)cnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165031239 721844623 /nfs/dbraw/zinc/84/46/23/721844623.db2.gz ZHLGSAJMMREQKW-UHFFFAOYSA-N 1 0 424.501 2.858 20 30 HFEDRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)c(Cl)cc1C#N)CCC2 ZINC001165002910 722253799 /nfs/dbraw/zinc/25/37/99/722253799.db2.gz XFXLLBPBIVUHCR-UHFFFAOYSA-N 1 0 409.321 2.945 20 30 HFEDRO C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3cnc4ccc(C#N)cn34)cc2)C1=O ZINC000790612033 1078075486 /nfs/dbraw/zinc/07/54/86/1078075486.db2.gz ZYSFTZDUZRJWQZ-HSZRJFAPSA-N 1 0 414.469 2.721 20 30 HFEDRO C=CC[C@@]1(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000790677169 1078087888 /nfs/dbraw/zinc/08/78/88/1078087888.db2.gz RAZPWXGERFZLSD-GCJKJVERSA-N 1 0 407.555 2.513 20 30 HFEDRO C=CC[C@@]1(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790654854 1078094636 /nfs/dbraw/zinc/09/46/36/1078094636.db2.gz IEYZWBZCRFBWRZ-MBSDFSHPSA-N 1 0 421.582 2.949 20 30 HFEDRO C#C[C@@H](CCC)N1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790746473 1078122820 /nfs/dbraw/zinc/12/28/20/1078122820.db2.gz ILOWDERIPZWFJD-DLBZAZTESA-N 1 0 420.604 2.940 20 30 HFEDRO C#C[C@H](CCC)N1C(=O)[C@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790746476 1078123319 /nfs/dbraw/zinc/12/33/19/1078123319.db2.gz ILOWDERIPZWFJD-SJORKVTESA-N 1 0 420.604 2.940 20 30 HFEDRO C=C(Br)CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000793785455 1078294041 /nfs/dbraw/zinc/29/40/41/1078294041.db2.gz QPWVQODFWKAGOR-QGZVFWFLSA-N 1 0 408.340 2.601 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000793843327 1078312312 /nfs/dbraw/zinc/31/23/12/1078312312.db2.gz UCCOSTBCPPGXLZ-IRLDBZIGSA-N 1 0 406.530 2.843 20 30 HFEDRO CON=Cc1ccc(C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000804446492 1078513842 /nfs/dbraw/zinc/51/38/42/1078513842.db2.gz IMFPTFDRPZEVEM-HSZRJFAPSA-N 1 0 406.530 2.699 20 30 HFEDRO CC(C)(C)Nc1nc(NCc2ccc(C#N)cn2)[nH+]c(NCc2ccc(C#N)cn2)n1 ZINC000804630971 1078686353 /nfs/dbraw/zinc/68/63/53/1078686353.db2.gz KKBFHKPNCAQGPH-UHFFFAOYSA-N 1 0 414.477 2.840 20 30 HFEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)C[C@H]3C(=O)Nc4c3cccc4F)CC2)c1 ZINC001130341281 1079212744 /nfs/dbraw/zinc/21/27/44/1079212744.db2.gz FEYISIITYBBMCX-LJQANCHMSA-N 1 0 406.461 2.904 20 30 HFEDRO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000805765184 1079266068 /nfs/dbraw/zinc/26/60/68/1079266068.db2.gz KLBOLTGZDRRXPS-IBGZPJMESA-N 1 0 400.523 2.944 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000805808621 1079283805 /nfs/dbraw/zinc/28/38/05/1079283805.db2.gz HXPMQCXSOACECQ-DENIHFKCSA-N 1 0 406.530 2.938 20 30 HFEDRO CCOC(=O)c1cnc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)c(C#N)c1 ZINC001170493852 1079360056 /nfs/dbraw/zinc/36/00/56/1079360056.db2.gz UOBZLKRUAGQUMZ-KLAILNCOSA-N 1 0 421.501 2.502 20 30 HFEDRO CC[NH+](CC)Cc1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000787352759 1076792619 /nfs/dbraw/zinc/79/26/19/1076792619.db2.gz HOQCBLTUBKUCPF-UHFFFAOYSA-N 1 0 414.531 2.596 20 30 HFEDRO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000788275535 1077095407 /nfs/dbraw/zinc/09/54/07/1077095407.db2.gz NLWOVYORNWFICO-LEWJYISDSA-N 1 0 413.562 2.974 20 30 HFEDRO CCN(CC)S(=O)(=O)c1ccc(N=NC2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000788409480 1077154389 /nfs/dbraw/zinc/15/43/89/1077154389.db2.gz YVXQNZMGSDTBKS-OAHLLOKOSA-N 1 0 411.528 2.897 20 30 HFEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCCc2nc(C)sc21)C(C)C ZINC000788444362 1077161966 /nfs/dbraw/zinc/16/19/66/1077161966.db2.gz QEPMGFXIGDODHR-MSOLQXFVSA-N 1 0 404.580 2.760 20 30 HFEDRO N#CCCn1cc(C[NH2+]CCS(=O)(=O)Cc2ccccc2)c(-c2ccncc2)n1 ZINC000788508247 1077185934 /nfs/dbraw/zinc/18/59/34/1077185934.db2.gz HXOGZNDLBKUCJT-UHFFFAOYSA-N 1 0 409.515 2.563 20 30 HFEDRO C#CCn1ccc(CN(CC)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)n1 ZINC000790926071 1077235027 /nfs/dbraw/zinc/23/50/27/1077235027.db2.gz KTCQWOAWYUFXRU-UHFFFAOYSA-N 1 0 409.534 2.721 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](CC)C2)n1 ZINC000788997909 1077377108 /nfs/dbraw/zinc/37/71/08/1077377108.db2.gz RYQHQQHXUFZUNC-IBGZPJMESA-N 1 0 403.571 2.575 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)n1 ZINC000789028244 1077388569 /nfs/dbraw/zinc/38/85/69/1077388569.db2.gz UBNIZDNESACZBW-FQEVSTJZSA-N 1 0 423.561 2.900 20 30 HFEDRO C#CCOc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000746807266 1077563603 /nfs/dbraw/zinc/56/36/03/1077563603.db2.gz OJTUGNUOEBISCL-OAQYLSRUSA-N 1 0 405.498 2.760 20 30 HFEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)c1ccc(Cl)cc1 ZINC000746814011 1077577958 /nfs/dbraw/zinc/57/79/58/1077577958.db2.gz QTYOBVOMMDBDMC-GOSISDBHSA-N 1 0 400.866 2.600 20 30 HFEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000789753712 1077785406 /nfs/dbraw/zinc/78/54/06/1077785406.db2.gz CTYGZGCCPJIREN-UHFFFAOYSA-N 1 0 412.534 2.740 20 30 HFEDRO C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)n1 ZINC000789793918 1077800598 /nfs/dbraw/zinc/80/05/98/1077800598.db2.gz SMOWXZVLLTWYMS-UHFFFAOYSA-N 1 0 421.545 2.735 20 30 HFEDRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2 ZINC000792331789 1077821506 /nfs/dbraw/zinc/82/15/06/1077821506.db2.gz OVIUMARMDKIXTG-UHFFFAOYSA-N 1 0 417.554 2.755 20 30 HFEDRO C#CCOc1cccc(NC(=O)C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000792401589 1077836403 /nfs/dbraw/zinc/83/64/03/1077836403.db2.gz YUWFPSYHIUJWRN-UHFFFAOYSA-N 1 0 423.435 2.559 20 30 HFEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792406095 1077838365 /nfs/dbraw/zinc/83/83/65/1077838365.db2.gz RSZFSBFTHQZXSD-YSIASYRMSA-N 1 0 418.497 2.506 20 30 HFEDRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000792552509 1077901048 /nfs/dbraw/zinc/90/10/48/1077901048.db2.gz KYHWDSMHNLEZLK-UHFFFAOYSA-N 1 0 401.344 2.678 20 30 HFEDRO CCOC(=O)c1ccc(OC(=O)CCCCCNC(=[NH2+])Nc2ccc(C#N)nn2)cc1 ZINC001170268959 1077923297 /nfs/dbraw/zinc/92/32/97/1077923297.db2.gz FUVCSMBAFGBIBE-UHFFFAOYSA-N 1 0 424.461 2.627 20 30 HFEDRO CN(C)C(=O)Cn1cc2c(n1)[C@@H](C[NH2+]C1CCC(C#N)(c3ccccc3)CC1)OCC2 ZINC001170359839 1077950289 /nfs/dbraw/zinc/95/02/89/1077950289.db2.gz IXOXDCSONMFYHT-ZPGVXSSASA-N 1 0 421.545 2.579 20 30 HFEDRO CNC(=O)CN1C(=O)CC[C@@]12CCC[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170384447 1077956251 /nfs/dbraw/zinc/95/62/51/1077956251.db2.gz YBOIHQHKYPIMJR-VZYOYLOZSA-N 1 0 408.546 2.594 20 30 HFEDRO C=CC[C@]1(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CCCN1C(=O)OC(C)(C)C ZINC000790250762 1077977141 /nfs/dbraw/zinc/97/71/41/1077977141.db2.gz YZWVNJZGDXNDKH-JBYIUTFZSA-N 1 0 409.571 2.948 20 30 HFEDRO C=CCCCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(F)cc1 ZINC000790280548 1077983921 /nfs/dbraw/zinc/98/39/21/1077983921.db2.gz LHVQKGRZBFXOGI-QGZVFWFLSA-N 1 0 406.527 2.791 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cccc(CC)c1 ZINC000792749935 1077984925 /nfs/dbraw/zinc/98/49/25/1077984925.db2.gz RRKSSVIRXWEAPS-RBUKOAKNSA-N 1 0 414.575 2.660 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(C)cc1C ZINC000792751418 1077985181 /nfs/dbraw/zinc/98/51/81/1077985181.db2.gz OQWUMHOFVBJTMG-PKOBYXMFSA-N 1 0 414.575 2.715 20 30 HFEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)/C=C/c3ccc4c(c3)NC(=O)CO4)CC2)c1 ZINC001130563257 1079516852 /nfs/dbraw/zinc/51/68/52/1079516852.db2.gz LHZOVMQADQDOLE-FNORWQNLSA-N 1 0 416.481 2.683 20 30 HFEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000806503490 1079753382 /nfs/dbraw/zinc/75/33/82/1079753382.db2.gz PHLNQEHGBVKRHW-ROUUACIJSA-N 1 0 410.543 2.892 20 30 HFEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1 ZINC001130742375 1080006311 /nfs/dbraw/zinc/00/63/11/1080006311.db2.gz UKAHNFMYWWCBLX-IBGZPJMESA-N 1 0 422.529 2.981 20 30 HFEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000763677199 1080150970 /nfs/dbraw/zinc/15/09/70/1080150970.db2.gz YYXCNGQWORKZQU-GOSISDBHSA-N 1 0 403.486 2.701 20 30 HFEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1ccco1 ZINC000807109295 1080288588 /nfs/dbraw/zinc/28/85/88/1080288588.db2.gz FNBWNSWLUMVHJH-MWDXBVQZSA-N 1 0 419.526 2.767 20 30 HFEDRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807248902 1080406048 /nfs/dbraw/zinc/40/60/48/1080406048.db2.gz YQNVBRQZTVKBRA-UHFFFAOYSA-N 1 0 412.559 2.949 20 30 HFEDRO C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000807355149 1080516421 /nfs/dbraw/zinc/51/64/21/1080516421.db2.gz NOBVWIRRKVOFSA-RUZDIDTESA-N 1 0 417.509 2.762 20 30 HFEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000807465236 1080642380 /nfs/dbraw/zinc/64/23/80/1080642380.db2.gz GWAHEPQWCVFLEU-SMIHKQSGSA-N 1 0 405.542 2.803 20 30 HFEDRO C#CCn1ccc(CN(CC)C(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)n1 ZINC000807435434 1080656295 /nfs/dbraw/zinc/65/62/95/1080656295.db2.gz LTNGLANPFNQRQB-UHFFFAOYSA-N 1 0 404.518 2.604 20 30 HFEDRO C#CCOc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c1 ZINC000807509607 1080715756 /nfs/dbraw/zinc/71/57/56/1080715756.db2.gz LXBNKYDZEXLWQK-JOCHJYFZSA-N 1 0 423.513 2.843 20 30 HFEDRO C#C[C@@H](NC(=O)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000807536783 1080752179 /nfs/dbraw/zinc/75/21/79/1080752179.db2.gz ZVVJRVALLXEMRS-WOJBJXKFSA-N 1 0 421.545 2.741 20 30 HFEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000747403046 1080767316 /nfs/dbraw/zinc/76/73/16/1080767316.db2.gz MGZMVLKMMCPXMI-UHFFFAOYSA-N 1 0 400.523 2.691 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC000747402301 1080769309 /nfs/dbraw/zinc/76/93/09/1080769309.db2.gz KCJHJYLTWHJIPV-HXUWFJFHSA-N 1 0 403.935 2.873 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)CC1 ZINC000747403994 1080770580 /nfs/dbraw/zinc/77/05/80/1080770580.db2.gz FCHSOANMPUKVJR-IBGZPJMESA-N 1 0 420.351 2.620 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]2C[C@H]2C)CC1 ZINC000747404988 1080787298 /nfs/dbraw/zinc/78/72/98/1080787298.db2.gz RSAKBVKJKRYEQR-NVXWUHKLSA-N 1 0 413.518 2.516 20 30 HFEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(Cl)nc1C#N)CC2 ZINC001164710699 720102927 /nfs/dbraw/zinc/10/29/27/720102927.db2.gz LEKIAIGZRXFXDG-QGZVFWFLSA-N 1 0 412.925 2.904 20 30 HFEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C#N)cc1C#N)CC2 ZINC001164717409 720107899 /nfs/dbraw/zinc/10/78/99/720107899.db2.gz OPGLDJKTWPSTKU-NRFANRHFSA-N 1 0 402.502 2.727 20 30 HFEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164733426 720465059 /nfs/dbraw/zinc/46/50/59/720465059.db2.gz PLCKWQYTZREYBM-QYZOEREBSA-N 1 0 420.517 2.674 20 30 HFEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164737020 720574149 /nfs/dbraw/zinc/57/41/49/720574149.db2.gz YUWJFAVJNGPODK-UHFFFAOYSA-N 1 0 421.549 2.793 20 30 HFEDRO N#Cc1cc2c(nc1N1CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C1)CCCC2 ZINC001164742512 720846727 /nfs/dbraw/zinc/84/67/27/720846727.db2.gz HEGWTXOJIZEJBD-QNWVGRARSA-N 1 0 417.561 2.803 20 30 HFEDRO Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cnc1C#N ZINC001164756261 720902267 /nfs/dbraw/zinc/90/22/67/720902267.db2.gz OWYDKFJPUFDCTL-XUZZJYLKSA-N 1 0 418.545 2.807 20 30 HFEDRO Cc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C#N)n1 ZINC001164752096 720905310 /nfs/dbraw/zinc/90/53/10/720905310.db2.gz NCYVYRHSBOIQAL-XUZZJYLKSA-N 1 0 418.545 2.807 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc(C#N)c(Cl)n4)C[C@H]3C2)cn1 ZINC001164762202 721078907 /nfs/dbraw/zinc/07/89/07/721078907.db2.gz CYVXSWJCZNSXLV-JKSUJKDBSA-N 1 0 406.868 2.843 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc(Cl)nc4C#N)C[C@H]3C2)cn1 ZINC001164763445 721107136 /nfs/dbraw/zinc/10/71/36/721107136.db2.gz FYDSHOHOUVACNF-LSDHHAIUSA-N 1 0 406.868 2.843 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc(C#N)c4)C[C@H]3C2)cn1 ZINC001164773268 721126325 /nfs/dbraw/zinc/12/63/25/721126325.db2.gz XQDQMMLRGYVANP-HUUCEWRRSA-N 1 0 406.868 2.843 20 30 HFEDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(-c4cccs4)ccc2C#N)CC3)CC1 ZINC001164799206 721519209 /nfs/dbraw/zinc/51/92/09/721519209.db2.gz YQGALMINNKXUNY-UHFFFAOYSA-N 1 0 419.558 2.646 20 30 HFEDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(C#N)c4cc(Cl)ccc4n2)CC3)CC1 ZINC001164795784 721521602 /nfs/dbraw/zinc/52/16/02/721521602.db2.gz SBJDQPSAZWKQRL-UHFFFAOYSA-N 1 0 421.936 2.724 20 30 HFEDRO N#Cc1ccc([N+](=O)[O-])c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906201 721702697 /nfs/dbraw/zinc/70/26/97/721702697.db2.gz KWYLLUXPZBNWIE-IBGZPJMESA-N 1 0 414.416 2.994 20 30 HFEDRO COC(=O)c1cc(C#N)cnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165030164 721829203 /nfs/dbraw/zinc/82/92/03/721829203.db2.gz YDIDZNGZJIWWMQ-IOMROCGXSA-N 1 0 405.502 2.872 20 30 HFEDRO CCc1nc(C#N)c(C#N)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165022310 721829688 /nfs/dbraw/zinc/82/96/88/721829688.db2.gz GVIJSUSBWIDJMK-ZJBJCVSYSA-N 1 0 401.518 2.914 20 30 HFEDRO CCc1nc(C#N)c(C#N)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165022267 721829722 /nfs/dbraw/zinc/82/97/22/721829722.db2.gz GVIJSUSBWIDJMK-AQOAWAETSA-N 1 0 401.518 2.914 20 30 HFEDRO CC(C)=CCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cccc(C)c1 ZINC000790699287 1078099297 /nfs/dbraw/zinc/09/92/97/1078099297.db2.gz QTDMECCLRJFHIS-GOSISDBHSA-N 1 0 402.564 2.961 20 30 HFEDRO C=CC[C@@]1(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)CCCN1C(=O)OC(C)(C)C ZINC000790817387 1078153612 /nfs/dbraw/zinc/15/36/12/1078153612.db2.gz GSNHRBUOFLGILE-QFIPXVFZSA-N 1 0 418.538 2.694 20 30 HFEDRO Cc1ncc(S(=O)(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)cc1C#N ZINC000794019704 1078362074 /nfs/dbraw/zinc/36/20/74/1078362074.db2.gz XXZZLPDXYJSGOR-UHFFFAOYSA-N 1 0 417.510 2.732 20 30 HFEDRO C=CCN1C(=O)c2ccc(C(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)cc2C1=O ZINC001129800779 1078477245 /nfs/dbraw/zinc/47/72/45/1078477245.db2.gz STRJEYWIWMLHPZ-UHFFFAOYSA-N 1 0 423.435 2.957 20 30 HFEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC(c3ccc(N(C)C)cc3)CC2)CC1 ZINC000804897943 1078754453 /nfs/dbraw/zinc/75/44/53/1078754453.db2.gz CWLCXKLIKTZCQZ-UHFFFAOYSA-N 1 0 412.578 2.615 20 30 HFEDRO N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000747226972 1078855004 /nfs/dbraw/zinc/85/50/04/1078855004.db2.gz RPJDPLPRSDUZGI-QFIPXVFZSA-N 1 0 410.543 2.698 20 30 HFEDRO CC[NH+]1CCN(c2ccc(C(=O)OCCOc3ccc(C#N)cc3OC)cc2)CC1 ZINC000805463372 1079084701 /nfs/dbraw/zinc/08/47/01/1079084701.db2.gz AVXNNJAWPHUXPP-UHFFFAOYSA-N 1 0 409.486 2.945 20 30 HFEDRO CC(=O)N(CCc1ccccc1)CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001130341382 1079212729 /nfs/dbraw/zinc/21/27/29/1079212729.db2.gz JMLVMZKLCATWSD-UHFFFAOYSA-N 1 0 418.541 2.730 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805805915 1079282166 /nfs/dbraw/zinc/28/21/66/1079282166.db2.gz GSZOQRHFOGAXQG-FGZHOGPDSA-N 1 0 406.530 2.938 20 30 HFEDRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3nc4ncccc4cc3C#N)cc2)CC1 ZINC001170490451 1079316944 /nfs/dbraw/zinc/31/69/44/1079316944.db2.gz TXPISAYETBKXHL-KLAILNCOSA-N 1 0 400.486 2.873 20 30 HFEDRO COC(=O)c1cc(C#N)ccc1-n1ccc(=NC(=O)C2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC001170493859 1079356777 /nfs/dbraw/zinc/35/67/77/1079356777.db2.gz UYJVOKQOWWUWKI-FAEJEUNOSA-N 1 0 406.486 2.716 20 30 HFEDRO C[C@@H](NC(=O)OCc1ccccc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000747306070 1079430702 /nfs/dbraw/zinc/43/07/02/1079430702.db2.gz GZVMQPMJLPDETF-GOSISDBHSA-N 1 0 408.502 2.763 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)CC1 ZINC000787382359 1076782011 /nfs/dbraw/zinc/78/20/11/1076782011.db2.gz TXCUPBAYIATTBM-UHFFFAOYSA-N 1 0 417.579 2.908 20 30 HFEDRO C=C(Br)CNC(=O)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000787497526 1076826489 /nfs/dbraw/zinc/82/64/89/1076826489.db2.gz JKBXIMWDZMHSTE-GASCZTMLSA-N 1 0 422.367 2.806 20 30 HFEDRO N#Cc1ccc2cc(N(CC[NH3+])S(=O)(=O)c3cccc4cnccc43)ccc2n1 ZINC001170074545 1076847787 /nfs/dbraw/zinc/84/77/87/1076847787.db2.gz KHEJPYOXXSVTEE-UHFFFAOYSA-N 1 0 403.467 2.809 20 30 HFEDRO C[NH+](C)[C@@H]1CCCC(N=Nc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C1 ZINC000788408057 1077153098 /nfs/dbraw/zinc/15/30/98/1077153098.db2.gz KUQLXBOFZFKZPM-OAHLLOKOSA-N 1 0 409.512 2.651 20 30 HFEDRO CSC1(CN2C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC2=Nc2ccccc2)CC1 ZINC000788410198 1077154373 /nfs/dbraw/zinc/15/43/73/1077154373.db2.gz KELRIKMBIZHGTN-INIZCTEOSA-N 1 0 420.604 2.582 20 30 HFEDRO CC[NH+]1CCN(c2ccc(NC(=O)Cn3cc(C#N)c(=O)c4ccccc43)cc2)CC1 ZINC000788494597 1077181206 /nfs/dbraw/zinc/18/12/06/1077181206.db2.gz QGBYVFMPBMEMHP-UHFFFAOYSA-N 1 0 415.497 2.654 20 30 HFEDRO CCOC(=O)[C@H]1[C@H]([NH2+]Cc2ccc(OCC#N)cc2)CCN1C(=O)OC(C)(C)C ZINC000788650924 1077225863 /nfs/dbraw/zinc/22/58/63/1077225863.db2.gz ZAHHRWNNCSTMKI-QZTJIDSGSA-N 1 0 403.479 2.620 20 30 HFEDRO C=CCNC(=O)c1ccc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)nc1 ZINC001170149526 1077319821 /nfs/dbraw/zinc/31/98/21/1077319821.db2.gz GLJHRWYAZUTVDX-UHFFFAOYSA-N 1 0 415.501 2.907 20 30 HFEDRO C#CCn1ccc(CN(CC)C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000788858783 1077322350 /nfs/dbraw/zinc/32/23/50/1077322350.db2.gz IMNGAHWYAXKAJM-BGYRXZFFSA-N 1 0 423.561 2.857 20 30 HFEDRO COc1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1C#N ZINC000746774855 1077363967 /nfs/dbraw/zinc/36/39/67/1077363967.db2.gz DEWBHXVJKJHWLO-UHFFFAOYSA-N 1 0 403.486 2.856 20 30 HFEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cccnc1Br ZINC000791324709 1077374254 /nfs/dbraw/zinc/37/42/54/1077374254.db2.gz BDADSTSNSKSXJB-UHFFFAOYSA-N 1 0 401.308 2.849 20 30 HFEDRO COc1ccc(CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cc1C#N ZINC000746782675 1077390953 /nfs/dbraw/zinc/39/09/53/1077390953.db2.gz XEDUYDQGPLRFLM-UHFFFAOYSA-N 1 0 400.523 2.649 20 30 HFEDRO C[NH+](C)CCNC(=O)CC1SC(=Nc2cccc(Oc3ccccc3)c2)NC1=O ZINC000746806963 1077564715 /nfs/dbraw/zinc/56/47/15/1077564715.db2.gz KLHMENIIIXOBKS-SFHVURJKSA-N 1 0 412.515 2.766 20 30 HFEDRO C#CCn1ccc(CN(CCOC)Cc2ccccc2N(C)C2CC[NH+](C)CC2)n1 ZINC000789761040 1077765825 /nfs/dbraw/zinc/76/58/25/1077765825.db2.gz WDOWIUJECHXUDT-UHFFFAOYSA-N 1 0 409.578 2.695 20 30 HFEDRO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000789739244 1077773337 /nfs/dbraw/zinc/77/33/37/1077773337.db2.gz JSDWKBRMBKYGNN-WIYYLYMNSA-N 1 0 405.506 2.538 20 30 HFEDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)cn1 ZINC000789738633 1077773926 /nfs/dbraw/zinc/77/39/26/1077773926.db2.gz FZHRKGKJYGBHBG-LEWJYISDSA-N 1 0 405.506 2.680 20 30 HFEDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)cn1 ZINC000789738635 1077774018 /nfs/dbraw/zinc/77/40/18/1077774018.db2.gz FZHRKGKJYGBHBG-RTWAWAEBSA-N 1 0 405.506 2.680 20 30 HFEDRO CNC(=O)CO[C@@H]1COC2(C1)CC[NH+](C1CCC(C#N)(c3ccccc3)CC1)CC2 ZINC001170384614 1077956593 /nfs/dbraw/zinc/95/65/93/1077956593.db2.gz ZLDPISKEQCWEQJ-QKDPSFTKSA-N 1 0 411.546 2.777 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1c(C)cccc1C ZINC000792741910 1077981864 /nfs/dbraw/zinc/98/18/64/1077981864.db2.gz FBQCWOONURTLKP-ZWKOTPCHSA-N 1 0 414.575 2.715 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cc(C)cc(C)c1 ZINC000792747349 1077983594 /nfs/dbraw/zinc/98/35/94/1077983594.db2.gz JQQSKPKKTBDBQE-RTBURBONSA-N 1 0 414.575 2.715 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cc(C)ccc1F ZINC000792748402 1077983840 /nfs/dbraw/zinc/98/38/40/1077983840.db2.gz OZGPMCCGVYWGSP-YJBOKZPZSA-N 1 0 418.538 2.545 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccc(C)cc1 ZINC000792748522 1077983918 /nfs/dbraw/zinc/98/39/18/1077983918.db2.gz NTMBGZWERJELDP-OALUTQOASA-N 1 0 414.575 2.796 20 30 HFEDRO C=CCCCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1C#N ZINC000790283577 1077984471 /nfs/dbraw/zinc/98/44/71/1077984471.db2.gz VUGKJUNGPCCQET-SFHVURJKSA-N 1 0 413.547 2.524 20 30 HFEDRO Cc1ccnc(C2CCN(CC#CC[NH+]3CCC(c4nccc(C)n4)CC3)CC2)n1 ZINC000792878299 1078016076 /nfs/dbraw/zinc/01/60/76/1078016076.db2.gz USPAGIQKFGWSTD-UHFFFAOYSA-N 1 0 404.562 2.946 20 30 HFEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cccc(Br)n1)C(C)C ZINC000792955742 1078034638 /nfs/dbraw/zinc/03/46/38/1078034638.db2.gz XXKZXTBUHXAIDB-AWEZNQCLSA-N 1 0 409.328 2.597 20 30 HFEDRO Cc1cn(C2CCOCC2)nc1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001130563034 1079516342 /nfs/dbraw/zinc/51/63/42/1079516342.db2.gz FIPQEVNQMPQZRM-UHFFFAOYSA-N 1 0 407.518 2.809 20 30 HFEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(F)ccc3N3CCOCC3)CC2)c1 ZINC001130563499 1079517209 /nfs/dbraw/zinc/51/72/09/1079517209.db2.gz POOLTSPCOKEMGR-UHFFFAOYSA-N 1 0 422.504 2.928 20 30 HFEDRO Cc1ccccc1-n1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nn1 ZINC001130563574 1079517291 /nfs/dbraw/zinc/51/72/91/1079517291.db2.gz TYRWAITWCRQNRQ-UHFFFAOYSA-N 1 0 400.486 2.842 20 30 HFEDRO C=CCN1C(=O)c2ccc(C(=O)N[C@]3(C)CC[N@H+](Cc4ccccc4)C3)cc2C1=O ZINC001130609269 1079628265 /nfs/dbraw/zinc/62/82/65/1079628265.db2.gz DQYYWNKEFGUEEI-XMMPIXPASA-N 1 0 403.482 2.863 20 30 HFEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001130609965 1079629388 /nfs/dbraw/zinc/62/93/88/1079629388.db2.gz OHXPSSVFPZPNMU-XMMPIXPASA-N 1 0 416.529 2.931 20 30 HFEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2nc(Br)sc2C2CC2)c1C#N ZINC000806380913 1079629972 /nfs/dbraw/zinc/62/99/72/1079629972.db2.gz KFYHYYVGDJUCNT-UHFFFAOYSA-N 1 0 409.313 2.782 20 30 HFEDRO N#CCOc1ccc(CC(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001130733002 1079970846 /nfs/dbraw/zinc/97/08/46/1079970846.db2.gz HHNRATBFZBNPBJ-PKTZIBPZSA-N 1 0 405.498 2.633 20 30 HFEDRO COc1ccc(CNC(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC000807004636 1080181667 /nfs/dbraw/zinc/18/16/67/1080181667.db2.gz QNWZQKVWWWAYGW-UHFFFAOYSA-N 1 0 421.545 2.526 20 30 HFEDRO C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000807110102 1080287485 /nfs/dbraw/zinc/28/74/85/1080287485.db2.gz PZLVGAAUFKCCFW-AITUJVMLSA-N 1 0 415.538 2.736 20 30 HFEDRO C[C@H]1C[C@@H](NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C[N@@H+]1C1CC1 ZINC000807249940 1080407343 /nfs/dbraw/zinc/40/73/43/1080407343.db2.gz MKDBMSGAOVWQCM-WMLDXEAASA-N 1 0 408.527 2.644 20 30 HFEDRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC[N@@H+]1C ZINC000807250378 1080410208 /nfs/dbraw/zinc/41/02/08/1080410208.db2.gz ZCYLIOXKPWCJLT-QAPCUYQASA-N 1 0 410.543 2.844 20 30 HFEDRO C=CCCN(OCc1ccccc1)C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000807297824 1080492281 /nfs/dbraw/zinc/49/22/81/1080492281.db2.gz MSWFOTIGRWNEPT-UHFFFAOYSA-N 1 0 421.541 2.738 20 30 HFEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000807338281 1080538491 /nfs/dbraw/zinc/53/84/91/1080538491.db2.gz FIWIGYIMEWJOFQ-NRFANRHFSA-N 1 0 421.566 2.925 20 30 HFEDRO C#CCN(C(=O)C(=O)NCc1ccccc1CN(C)Cc1ccco1)C1CCCC1 ZINC000807451155 1080630680 /nfs/dbraw/zinc/63/06/80/1080630680.db2.gz DWSCHJBIYDNGLH-UHFFFAOYSA-N 1 0 407.514 2.932 20 30 HFEDRO C=CCCN(OCc1ccccc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000807514116 1080722670 /nfs/dbraw/zinc/72/26/70/1080722670.db2.gz KIZKDUJSYJIZGC-SEJPIABJSA-N 1 0 414.550 2.790 20 30 HFEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@@H]4C[NH2+]C[C@]4(CO)C3)cc2c1Cl ZINC001164406203 718855166 /nfs/dbraw/zinc/85/51/66/718855166.db2.gz MYPDPJZUKMDKQQ-APPDUMDISA-N 1 0 413.255 2.976 20 30 HFEDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(Cl)nc(Cl)c1C#N ZINC001164614042 719012620 /nfs/dbraw/zinc/01/26/20/719012620.db2.gz BNNIFOSZVNTVNS-KPXOXKRLSA-N 1 0 405.232 2.535 20 30 HFEDRO C[NH+](C)Cc1ccnc(N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)c1 ZINC001164664911 719359247 /nfs/dbraw/zinc/35/92/47/719359247.db2.gz RZRVVHMMXFHUKZ-QHCPKHFHSA-N 1 0 406.534 2.533 20 30 HFEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc([C@@H](C#N)c3ccccc3F)nn2)C1 ZINC001164731416 720518574 /nfs/dbraw/zinc/51/85/74/720518574.db2.gz XELTUEPOLAYOOP-AEFFLSMTSA-N 1 0 405.481 2.666 20 30 HFEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc4c(cc3C#N)COCC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837760 720630491 /nfs/dbraw/zinc/63/04/91/720630491.db2.gz JHHYXLXFVIRILT-KAGYGMCKSA-N 1 0 406.534 2.600 20 30 HFEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccc(F)cc4)ccc3C#N)CC[C@@H]2C1 ZINC001164852984 720836060 /nfs/dbraw/zinc/83/60/60/720836060.db2.gz MVFBQHSUKWBFNW-KNQAVFIVSA-N 1 0 410.493 2.933 20 30 HFEDRO Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C#N)n1 ZINC001164752092 720905182 /nfs/dbraw/zinc/90/51/82/720905182.db2.gz NCYVYRHSBOIQAL-QPPBQGQZSA-N 1 0 418.545 2.807 20 30 HFEDRO CSc1nc(Cl)c(C#N)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164871479 721040990 /nfs/dbraw/zinc/04/09/90/721040990.db2.gz ZDHIEDGSPKWISI-CABCVRRESA-N 1 0 416.938 2.598 20 30 HFEDRO N#CC1(c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2)CCOCC1 ZINC001164879481 721133343 /nfs/dbraw/zinc/13/33/43/721133343.db2.gz SQNAFUPPIUSQKP-VXKWHMMOSA-N 1 0 419.529 2.528 20 30 HFEDRO N#Cc1ccc(-c2ccncc2)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880919 721136361 /nfs/dbraw/zinc/13/63/61/721136361.db2.gz XOTYTKQOAWVBAS-FCHUYYIVSA-N 1 0 412.497 2.890 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(C#N)c5cc([N+](=O)[O-])ccc5n4)C[C@H]3C2)cn1 ZINC001164761029 721236852 /nfs/dbraw/zinc/23/68/52/721236852.db2.gz HATIGMGRQSEYFM-SJLPKXTDSA-N 1 0 417.473 2.706 20 30 HFEDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4[nH]cc(C#N)c43)C2)C1 ZINC001164777463 721332480 /nfs/dbraw/zinc/33/24/80/721332480.db2.gz NZCMOYAHHRLPFC-JOCHJYFZSA-N 1 0 421.505 2.553 20 30 HFEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc5c(c4C#N)CCCC5)C3)O2)CC1 ZINC001164891154 721451758 /nfs/dbraw/zinc/45/17/58/721451758.db2.gz UGDRHNANJVNGGI-YKSBVNFPSA-N 1 0 409.578 2.597 20 30 HFEDRO N#Cc1cc(C#N)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164981589 722116652 /nfs/dbraw/zinc/11/66/52/722116652.db2.gz UPMQZFDHYQOJTD-LPHOPBHVSA-N 1 0 408.893 2.601 20 30 HFEDRO C[NH+](C)CCOCc1ncn2c1CN(c1ncccc1C#C[Si](C)(C)C)CCC2 ZINC001165001897 722254837 /nfs/dbraw/zinc/25/48/37/722254837.db2.gz IKZVJWZZYFCBMZ-UHFFFAOYSA-N 1 0 411.626 2.996 20 30 HFEDRO C=CC[C@]1(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790654855 1078094720 /nfs/dbraw/zinc/09/47/20/1078094720.db2.gz IEYZWBZCRFBWRZ-WZONZLPQSA-N 1 0 421.582 2.949 20 30 HFEDRO C#C[C@@H](CCC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(F)cc1 ZINC000790697222 1078098847 /nfs/dbraw/zinc/09/88/47/1078098847.db2.gz WBAZWSWZYBMPLO-ROUUACIJSA-N 1 0 418.538 2.627 20 30 HFEDRO C#C[C@H](CCC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cccc(C)c1 ZINC000790696499 1078098968 /nfs/dbraw/zinc/09/89/68/1078098968.db2.gz HABIPKBWBORWCL-MOPGFXCFSA-N 1 0 414.575 2.796 20 30 HFEDRO C#CCCCN1C(=O)[C@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790755517 1078111391 /nfs/dbraw/zinc/11/13/91/1078111391.db2.gz ABTJQHPTMOZJBL-INIZCTEOSA-N 1 0 406.577 2.551 20 30 HFEDRO C=C(Cl)CN1C(=O)[C@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790759149 1078112315 /nfs/dbraw/zinc/11/23/15/1078112315.db2.gz QIVXKZYJMGUXMV-AWEZNQCLSA-N 1 0 414.984 2.890 20 30 HFEDRO N#Cc1ccncc1N1CC[NH+](Cn2ccc(=O)c3cccc(Br)c32)CC1 ZINC000793675059 1078250128 /nfs/dbraw/zinc/25/01/28/1078250128.db2.gz SYPAWIPFPAEIQG-UHFFFAOYSA-N 1 0 424.302 2.810 20 30 HFEDRO C=CCOc1ccc(/C=C/C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1OC ZINC000747150318 1078323829 /nfs/dbraw/zinc/32/38/29/1078323829.db2.gz OQKISNWDNUQBQB-KGQZGZMQSA-N 1 0 400.519 2.983 20 30 HFEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(I)cc2Cl)CC1 ZINC000794347113 1078421580 /nfs/dbraw/zinc/42/15/80/1078421580.db2.gz OLNFPBBDULCQTH-UHFFFAOYSA-N 1 0 416.690 2.906 20 30 HFEDRO N#Cc1ccc(CN2CC[N@H+](Cc3ccccc3)[C@H](CO)C2)c(Br)c1 ZINC001137632858 1078554752 /nfs/dbraw/zinc/55/47/52/1078554752.db2.gz MPDHVYVAHBHTHA-IBGZPJMESA-N 1 0 400.320 2.999 20 30 HFEDRO C#CCCOc1ccc(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC001129873158 1078569708 /nfs/dbraw/zinc/56/97/08/1078569708.db2.gz XIODSSXCKGMNDY-UHFFFAOYSA-N 1 0 419.525 2.716 20 30 HFEDRO C#CCNc1nc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)[nH+]c(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)n1 ZINC000804552897 1078579715 /nfs/dbraw/zinc/57/97/15/1078579715.db2.gz ILGGSSNICWIIMN-QMROVXIMSA-N 1 0 412.538 2.656 20 30 HFEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC000804895588 1078752290 /nfs/dbraw/zinc/75/22/90/1078752290.db2.gz DOKTZUMFOVMPGK-UHFFFAOYSA-N 1 0 412.578 2.696 20 30 HFEDRO N#Cc1ccc(NCCNC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC000804959594 1078799060 /nfs/dbraw/zinc/79/90/60/1078799060.db2.gz KQIMIAARLZURSX-HSZRJFAPSA-N 1 0 404.518 2.673 20 30 HFEDRO N#Cc1ccncc1C(=O)OCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000805716474 1079233938 /nfs/dbraw/zinc/23/39/38/1079233938.db2.gz STLZZKRMIIFEJM-LJQANCHMSA-N 1 0 412.877 2.717 20 30 HFEDRO CNC(=O)C1([NH2+]CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCCC1 ZINC000746675004 1076748537 /nfs/dbraw/zinc/74/85/37/1076748537.db2.gz ZCZGFVBBOZCJFW-UHFFFAOYSA-N 1 0 411.506 2.595 20 30 HFEDRO C=C(Br)CNC(=O)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000787501382 1076827694 /nfs/dbraw/zinc/82/76/94/1076827694.db2.gz QDPVUHZIJYMMQZ-GASCZTMLSA-N 1 0 422.367 2.806 20 30 HFEDRO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@H]([N@@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC000787716907 1076924629 /nfs/dbraw/zinc/92/46/29/1076924629.db2.gz KFKSIANHQIECRJ-NFBKMPQASA-N 1 0 414.550 2.831 20 30 HFEDRO C#CCN(C(=O)C(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C)C1CCCC1 ZINC000787753563 1076927995 /nfs/dbraw/zinc/92/79/95/1076927995.db2.gz YZOHZXKUFSNOJT-JOCHJYFZSA-N 1 0 409.574 2.980 20 30 HFEDRO N#Cc1cccc(OCc2ccoc2C(=O)O[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)c1 ZINC000788065579 1077048210 /nfs/dbraw/zinc/04/82/10/1077048210.db2.gz DUHISJXWXGRFAS-GOSISDBHSA-N 1 0 419.441 2.928 20 30 HFEDRO Cc1c(Br)c(C)n(N=Cc2ccc(OCC[NH+](C)C)cc2)c(=O)c1C#N ZINC000788454115 1077164813 /nfs/dbraw/zinc/16/48/13/1077164813.db2.gz OOALWJBGHIBYJR-UHFFFAOYSA-N 1 0 417.307 2.922 20 30 HFEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)C1CC1 ZINC000788640686 1077243879 /nfs/dbraw/zinc/24/38/79/1077243879.db2.gz BSNSHMZSMIKLPF-YTLYVFJMSA-N 1 0 418.538 2.671 20 30 HFEDRO Cc1cnc2c(N(CC[NH3+])c3ncc(C#N)cc3[N+](=O)[O-])nc3ccc(C)cc3n12 ZINC001170146879 1077269848 /nfs/dbraw/zinc/26/98/48/1077269848.db2.gz TZFGDWRNJOVHHO-UHFFFAOYSA-N 1 0 402.418 2.771 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000789068662 1077396194 /nfs/dbraw/zinc/39/61/94/1077396194.db2.gz YKJRCVQUOKIKLQ-NFBKMPQASA-N 1 0 423.561 2.585 20 30 HFEDRO C#CCn1ccc(CN(CC)[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000789329008 1077522312 /nfs/dbraw/zinc/52/23/12/1077522312.db2.gz HWSJCEYHSAASKH-FQEVSTJZSA-N 1 0 407.562 2.508 20 30 HFEDRO C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)n1 ZINC000789793311 1077799040 /nfs/dbraw/zinc/79/90/40/1077799040.db2.gz HACYPTIVMLDKGH-GOSISDBHSA-N 1 0 421.545 2.864 20 30 HFEDRO C=CCNS(=O)(=O)c1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)ccc1F ZINC000746874250 1077929913 /nfs/dbraw/zinc/92/99/13/1077929913.db2.gz HLYGZNGHMXLSQP-UHFFFAOYSA-N 1 0 423.554 2.817 20 30 HFEDRO Cn1cccc1C(=O)N[C@@H]1C[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)[C@@H]2COC[C@H]12 ZINC001170386850 1077957451 /nfs/dbraw/zinc/95/74/51/1077957451.db2.gz NTUKAZXBYPJSNQ-KIBNFWIMSA-N 1 0 418.541 2.858 20 30 HFEDRO CC(C)(C)OC(=O)N1CC[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C[C@@H]1C(N)=O ZINC001170389621 1077958183 /nfs/dbraw/zinc/95/81/83/1077958183.db2.gz WICDYVVPGGGWED-FVRICEFQSA-N 1 0 412.534 2.797 20 30 HFEDRO N#CC1(c2ccccc2)CCC([N@@H+]2C[C@@H](NC(=O)c3cscn3)[C@H]3COC[C@H]32)CC1 ZINC001170384132 1077964546 /nfs/dbraw/zinc/96/45/46/1077964546.db2.gz VMBSPKOXGJCFLD-LDWHKAQRSA-N 1 0 422.554 2.976 20 30 HFEDRO C=CC[C@]1(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCCN1C(=O)OC(C)(C)C ZINC000790250763 1077977188 /nfs/dbraw/zinc/97/71/88/1077977188.db2.gz YZWVNJZGDXNDKH-KGVIQGDOSA-N 1 0 409.571 2.948 20 30 HFEDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000792994567 1078043119 /nfs/dbraw/zinc/04/31/19/1078043119.db2.gz GRSZYZFPVOZDIU-MRXNPFEDSA-N 1 0 422.533 2.580 20 30 HFEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)c1C#N ZINC000806380776 1079629933 /nfs/dbraw/zinc/62/99/33/1079629933.db2.gz FLBUBFOFNKMQBP-INIZCTEOSA-N 1 0 421.288 2.872 20 30 HFEDRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807248957 1080406069 /nfs/dbraw/zinc/40/60/69/1080406069.db2.gz HOLOJJXHFPEDSE-UHFFFAOYSA-N 1 0 410.543 2.703 20 30 HFEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC[C@H]21 ZINC000807249850 1080408118 /nfs/dbraw/zinc/40/81/18/1080408118.db2.gz JEFGTOATRMSKCY-UYAOXDASSA-N 1 0 422.554 2.846 20 30 HFEDRO C[NH+]1CCC2(CCCN2C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000807249529 1080409592 /nfs/dbraw/zinc/40/95/92/1080409592.db2.gz YAWNCSFWELIBQM-UHFFFAOYSA-N 1 0 422.554 2.990 20 30 HFEDRO C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]([NH2+][C@H](C)CC)c1ccco1 ZINC000807311094 1080503882 /nfs/dbraw/zinc/50/38/82/1080503882.db2.gz YHIOEFGLVMITCG-PBHICJAKSA-N 1 0 401.438 2.615 20 30 HFEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000807338033 1080539472 /nfs/dbraw/zinc/53/94/72/1080539472.db2.gz BAXPJGMMVGGBSB-GHTZIAJQSA-N 1 0 405.498 2.761 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2OC)CC1 ZINC000747403825 1080782699 /nfs/dbraw/zinc/78/26/99/1080782699.db2.gz AMZMEGFGIWIJKJ-HXUWFJFHSA-N 1 0 415.534 2.865 20 30 HFEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CCO[C@H]4C3)c(Cl)nn2)cc1 ZINC001164390108 718826113 /nfs/dbraw/zinc/82/61/13/718826113.db2.gz MMDOEWGUJIFFIR-RDJZCZTQSA-N 1 0 405.836 2.781 20 30 HFEDRO N#Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH2+]C[C@@]4(CO)C3)cnc2Cl)c1 ZINC001164409997 718855081 /nfs/dbraw/zinc/85/50/81/718855081.db2.gz YKQFBHDCUVSABQ-LPHOPBHVSA-N 1 0 404.848 2.837 20 30 HFEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(SC)nc(Cl)c3C#N)CC2)CC1 ZINC001164615573 719020592 /nfs/dbraw/zinc/02/05/92/719020592.db2.gz IVUKCHZVRLLEOF-UHFFFAOYSA-N 1 0 423.970 2.967 20 30 HFEDRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)c(-c2cccc(C#N)c2)c1 ZINC001164629405 719138263 /nfs/dbraw/zinc/13/82/63/719138263.db2.gz AQVZOJLIQAANMS-INIZCTEOSA-N 1 0 406.820 2.770 20 30 HFEDRO C[N@@H+]1CCO[C@H]2CN(c3nc(C#C[Si](C)(C)C)ccc3NC(=O)C(C)(C)C)C[C@@H]21 ZINC001164674295 719418420 /nfs/dbraw/zinc/41/84/20/719418420.db2.gz WAGIRDSORFPNGA-OALUTQOASA-N 1 0 414.626 2.814 20 30 HFEDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc([C@H](C#N)c3ccc(C)cc3)nn1)CC2 ZINC001164685187 719699855 /nfs/dbraw/zinc/69/98/55/719699855.db2.gz RWXZCWOPYJVMFE-HXUWFJFHSA-N 1 0 418.545 2.621 20 30 HFEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C#N)cc1C#N)CC2 ZINC001164717410 720108003 /nfs/dbraw/zinc/10/80/03/720108003.db2.gz OPGLDJKTWPSTKU-OAQYLSRUSA-N 1 0 402.502 2.727 20 30 HFEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(C3(C#N)CCC3)cn1)CCC2 ZINC001164814073 720222642 /nfs/dbraw/zinc/22/26/42/720222642.db2.gz SBHGIPKLPNJFHR-UHFFFAOYSA-N 1 0 406.534 2.834 20 30 HFEDRO COC(=O)c1cc(C#N)cnc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164837070 720724323 /nfs/dbraw/zinc/72/43/23/720724323.db2.gz DEGYRBIXBWBQNS-HXUWFJFHSA-N 1 0 420.513 3.000 20 30 HFEDRO N#Cc1c(Cl)c2ccccc2nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746330 720754879 /nfs/dbraw/zinc/75/48/79/720754879.db2.gz XORPHNWLMPVUMU-CABCVRRESA-N 1 0 406.877 2.892 20 30 HFEDRO N#Cc1c2c(cnc1N1CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C1)CCCC2 ZINC001164754002 720860344 /nfs/dbraw/zinc/86/03/44/720860344.db2.gz ZQIKCFXWLZUQFL-SXWKCWPCSA-N 1 0 417.561 2.803 20 30 HFEDRO N#Cc1c2c(cnc1N1CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C1)CCCC2 ZINC001164754009 720860533 /nfs/dbraw/zinc/86/05/33/720860533.db2.gz ZQIKCFXWLZUQFL-ZRCGQRJVSA-N 1 0 417.561 2.803 20 30 HFEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4ccccc4c(Cl)c3C#N)CC[C@H]2C1 ZINC001164864454 720873666 /nfs/dbraw/zinc/87/36/66/720873666.db2.gz VUESBOHPDLNBJR-HNAYVOBHSA-N 1 0 400.910 2.933 20 30 HFEDRO Cc1nc(C#N)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753328 720901702 /nfs/dbraw/zinc/90/17/02/720901702.db2.gz GNCBMHDGMGUZOT-QPPBQGQZSA-N 1 0 418.545 2.807 20 30 HFEDRO N#CCc1cncc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164750945 720903590 /nfs/dbraw/zinc/90/35/90/720903590.db2.gz CGUOBQBHVQVUJM-QPPBQGQZSA-N 1 0 418.545 2.693 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc(C#N)c(Cl)n4)C[C@@H]3C2)cn1 ZINC001164762198 721078974 /nfs/dbraw/zinc/07/89/74/721078974.db2.gz CYVXSWJCZNSXLV-HOTGVXAUSA-N 1 0 406.868 2.843 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)ncc4C#N)C[C@H]3C2)cn1 ZINC001164771774 721141288 /nfs/dbraw/zinc/14/12/88/721141288.db2.gz TVQDTOJGGPFQGO-GDBMZVCRSA-N 1 0 406.868 2.843 20 30 HFEDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4[nH]cc(C#N)c43)C2)C1 ZINC001164777464 721332261 /nfs/dbraw/zinc/33/22/61/721332261.db2.gz NZCMOYAHHRLPFC-QFIPXVFZSA-N 1 0 421.505 2.553 20 30 HFEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)c(F)cc4C#N)C3)O2)CC1 ZINC001164890948 721381699 /nfs/dbraw/zinc/38/16/99/721381699.db2.gz PMWPKTNMOZYTIS-UZLBHIALSA-N 1 0 407.921 2.511 20 30 HFEDRO Cc1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1C#N ZINC001164885032 721385414 /nfs/dbraw/zinc/38/54/14/721385414.db2.gz BXEJHKVQYIDSBU-LAUBAEHRSA-N 1 0 403.958 2.681 20 30 HFEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc5c(cc4C#N)CCCC5)C3)O2)CC1 ZINC001164893055 721434043 /nfs/dbraw/zinc/43/40/43/721434043.db2.gz IVBCXMSJIQHOSI-ZJSXRUAMSA-N 1 0 409.578 2.597 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3[nH]cc(C#N)c31)CC2 ZINC001164789407 721448230 /nfs/dbraw/zinc/44/82/30/721448230.db2.gz VNLWUTHCMISZIX-LJQANCHMSA-N 1 0 424.549 2.563 20 30 HFEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc5c(c4C#N)CCCC5)C3)O2)CC1 ZINC001164891147 721451711 /nfs/dbraw/zinc/45/17/11/721451711.db2.gz UGDRHNANJVNGGI-RDPSFJRHSA-N 1 0 409.578 2.597 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C#N)cc1C#N)CC2 ZINC001164786413 721455174 /nfs/dbraw/zinc/45/51/74/721455174.db2.gz MKZNAYMTTILUDK-NRFANRHFSA-N 1 0 409.534 2.559 20 30 HFEDRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(-c3ccncc3)ccc1C#N)CCC2 ZINC001165002906 722256044 /nfs/dbraw/zinc/25/60/44/722256044.db2.gz XBRXIXFPYRZBOF-UHFFFAOYSA-N 1 0 417.517 2.700 20 30 HFEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000793039467 1078053701 /nfs/dbraw/zinc/05/37/01/1078053701.db2.gz MQABCEQDRBCEKT-UHFFFAOYSA-N 1 0 403.483 2.525 20 30 HFEDRO C=CC[C@]1(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790634125 1078069569 /nfs/dbraw/zinc/06/95/69/1078069569.db2.gz RBJZEAJHCDPMFK-HSZRJFAPSA-N 1 0 422.614 2.817 20 30 HFEDRO C=CC[C@]1(C(=O)NCC2CC[NH+](CCN(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790638402 1078071610 /nfs/dbraw/zinc/07/16/10/1078071610.db2.gz ANFFATKDNFABHV-HSZRJFAPSA-N 1 0 422.614 2.722 20 30 HFEDRO CN(C)S(=O)(=O)c1ccccc1N=NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000793182731 1078095620 /nfs/dbraw/zinc/09/56/20/1078095620.db2.gz NFXWRYDOEHBMMM-UHFFFAOYSA-N 1 0 408.568 2.617 20 30 HFEDRO CC(C)=CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1C ZINC000790696470 1078098723 /nfs/dbraw/zinc/09/87/23/1078098723.db2.gz GHGRWUILZNPZGD-SFHVURJKSA-N 1 0 402.564 2.961 20 30 HFEDRO C#C[C@@H](CCC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cccc(C)c1 ZINC000790696503 1078098984 /nfs/dbraw/zinc/09/89/84/1078098984.db2.gz HABIPKBWBORWCL-OALUTQOASA-N 1 0 414.575 2.796 20 30 HFEDRO CSCCCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790738349 1078120407 /nfs/dbraw/zinc/12/04/07/1078120407.db2.gz RFSHSQXKDTUPCG-CQSZACIVSA-N 1 0 414.622 2.501 20 30 HFEDRO C#Cc1cccc(NC(=O)CNC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000790919913 1078184109 /nfs/dbraw/zinc/18/41/09/1078184109.db2.gz BQDQRTTZKXRPRR-UHFFFAOYSA-N 1 0 420.513 2.579 20 30 HFEDRO COc1cccc([C@H](C)[NH+]2CCN(Cn3cc4c(c(C#N)c3=O)CCCC4)CC2)c1 ZINC000793500744 1078203891 /nfs/dbraw/zinc/20/38/91/1078203891.db2.gz WNTYBVUBVLSOSP-SFHVURJKSA-N 1 0 406.530 2.944 20 30 HFEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000793589486 1078217036 /nfs/dbraw/zinc/21/70/36/1078217036.db2.gz KPYYOPLYJSUDSC-PMACEKPBSA-N 1 0 401.599 2.948 20 30 HFEDRO C=C(Br)CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000793785453 1078294103 /nfs/dbraw/zinc/29/41/03/1078294103.db2.gz QPWVQODFWKAGOR-KRWDZBQOSA-N 1 0 408.340 2.601 20 30 HFEDRO C#C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1F ZINC000804424750 1078471962 /nfs/dbraw/zinc/47/19/62/1078471962.db2.gz NENOLHPVWHGERH-LJQANCHMSA-N 1 0 400.885 2.877 20 30 HFEDRO C#C[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1F ZINC000804424748 1078472016 /nfs/dbraw/zinc/47/20/16/1078472016.db2.gz NENOLHPVWHGERH-IBGZPJMESA-N 1 0 400.885 2.877 20 30 HFEDRO N#CC1(c2ccc(C(=O)NCc3ccc(C[NH+]4CCC(C(N)=O)CC4)cc3)cc2)CC1 ZINC001129873327 1078570021 /nfs/dbraw/zinc/57/00/21/1078570021.db2.gz ZPKFIJKMCPLQMW-UHFFFAOYSA-N 1 0 416.525 2.869 20 30 HFEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000804916672 1078737439 /nfs/dbraw/zinc/73/74/39/1078737439.db2.gz BAZSMZNICFFVRO-QFIPXVFZSA-N 1 0 405.546 2.657 20 30 HFEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000804945659 1078773622 /nfs/dbraw/zinc/77/36/22/1078773622.db2.gz MTZQSYGHOUAVKL-XMMPIXPASA-N 1 0 404.558 2.868 20 30 HFEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000805179370 1078964597 /nfs/dbraw/zinc/96/45/97/1078964597.db2.gz ASSXLKCFOAUGIV-DNQXCXABSA-N 1 0 404.558 2.909 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccncc1 ZINC000805812935 1079287415 /nfs/dbraw/zinc/28/74/15/1079287415.db2.gz GANDYKNIPRGFAK-DAWZGUTISA-N 1 0 424.467 2.737 20 30 HFEDRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1cccc(OCC#N)c1 ZINC000806212290 1079497164 /nfs/dbraw/zinc/49/71/64/1079497164.db2.gz XFACLJFSCOPHMY-UHFFFAOYSA-N 1 0 407.518 2.870 20 30 HFEDRO CC(C)(C)OC(=O)NCCOCC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000787687210 1076911434 /nfs/dbraw/zinc/91/14/34/1076911434.db2.gz KCUKHTAZEJLMKF-UHFFFAOYSA-N 1 0 402.539 2.607 20 30 HFEDRO COc1ccc(CNC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1C#N ZINC000746712799 1076990899 /nfs/dbraw/zinc/99/08/99/1076990899.db2.gz MUUNVFJUHVZJHE-UHFFFAOYSA-N 1 0 407.518 2.578 20 30 HFEDRO CSC1(CN2C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC2=Nc2ccccc2)CC1 ZINC000788410199 1077154406 /nfs/dbraw/zinc/15/44/06/1077154406.db2.gz KELRIKMBIZHGTN-MRXNPFEDSA-N 1 0 420.604 2.582 20 30 HFEDRO COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000788507782 1077186253 /nfs/dbraw/zinc/18/62/53/1077186253.db2.gz OYYKEUMUJZZAAE-FQEVSTJZSA-N 1 0 407.474 2.699 20 30 HFEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000788766732 1077281947 /nfs/dbraw/zinc/28/19/47/1077281947.db2.gz SMHCWMZOKKHXLR-LJQANCHMSA-N 1 0 412.534 2.705 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)n1 ZINC000788991058 1077375200 /nfs/dbraw/zinc/37/52/00/1077375200.db2.gz WIHISSZYKVPRRR-JOCHJYFZSA-N 1 0 415.582 2.719 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)n1 ZINC000789021681 1077387022 /nfs/dbraw/zinc/38/70/22/1077387022.db2.gz NNZWPUVOZTWGJY-QHCPKHFHSA-N 1 0 423.561 2.902 20 30 HFEDRO C#CC[NH+]1CCC(C(=O)NC2(c3noc([C@@H]4CCCO4)n3)CCCCCC2)CC1 ZINC000747022977 1077490872 /nfs/dbraw/zinc/49/08/72/1077490872.db2.gz WYNRIBJNJKIAAJ-SFHVURJKSA-N 1 0 400.523 2.932 20 30 HFEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCN1C(=O)c2ccccc2C1=O ZINC000792038400 1077688309 /nfs/dbraw/zinc/68/83/09/1077688309.db2.gz KCKXUYIEBCTWAA-UHFFFAOYSA-N 1 0 411.531 2.838 20 30 HFEDRO C#CCn1ccc(CN(CC)C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)n1 ZINC000792279103 1077773357 /nfs/dbraw/zinc/77/33/57/1077773357.db2.gz RHQYJNZNPSWWAB-UHFFFAOYSA-N 1 0 411.472 2.853 20 30 HFEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792368101 1077817811 /nfs/dbraw/zinc/81/78/11/1077817811.db2.gz ITYMNBUNRZGAIS-PKOBYXMFSA-N 1 0 406.486 2.554 20 30 HFEDRO CCc1nnc(C2CC[NH+](Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)CC2)[nH]1 ZINC000792397540 1077834085 /nfs/dbraw/zinc/83/40/85/1077834085.db2.gz LZVFZDHZAUGTJZ-INIZCTEOSA-N 1 0 401.474 2.784 20 30 HFEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1CC ZINC001170351517 1077956105 /nfs/dbraw/zinc/95/61/05/1077956105.db2.gz JZAFLANFQQKEJI-XLIONFOSSA-N 1 0 418.563 2.664 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)S/C1=N/[C@H](C)c1cccs1 ZINC000792748222 1077984115 /nfs/dbraw/zinc/98/41/15/1077984115.db2.gz UYVFSYVWUIKMTB-WTKXBRNWSA-N 1 0 420.604 2.589 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cccc(CC)c1 ZINC000792749937 1077984858 /nfs/dbraw/zinc/98/48/58/1077984858.db2.gz RRKSSVIRXWEAPS-RTBURBONSA-N 1 0 414.575 2.660 20 30 HFEDRO CC(C)Oc1ccc([C@H](CNC(=O)NCCNc2ccc(C#N)cn2)[NH+](C)C)cc1 ZINC000806412911 1079661003 /nfs/dbraw/zinc/66/10/03/1079661003.db2.gz WAMIMDVUGZEGEF-FQEVSTJZSA-N 1 0 410.522 2.754 20 30 HFEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000807110001 1080286857 /nfs/dbraw/zinc/28/68/57/1080286857.db2.gz OXFGUTJPRHVLOC-FUHWJXTLSA-N 1 0 419.526 2.502 20 30 HFEDRO CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000807109184 1080288381 /nfs/dbraw/zinc/28/83/81/1080288381.db2.gz CMSCZIFLYINFAI-ZWKOTPCHSA-N 1 0 407.559 2.653 20 30 HFEDRO CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000807109182 1080288569 /nfs/dbraw/zinc/28/85/69/1080288569.db2.gz CMSCZIFLYINFAI-QZTJIDSGSA-N 1 0 407.559 2.653 20 30 HFEDRO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)c2)s1 ZINC000807249087 1080405279 /nfs/dbraw/zinc/40/52/79/1080405279.db2.gz LNAJXDMYRMBLMB-IBGZPJMESA-N 1 0 422.554 2.990 20 30 HFEDRO C#C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)c1ccc(Cl)cc1F ZINC000807329590 1080528831 /nfs/dbraw/zinc/52/88/31/1080528831.db2.gz AZIQCWQCJZNJJK-IBGZPJMESA-N 1 0 417.868 2.849 20 30 HFEDRO C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000807335812 1080536107 /nfs/dbraw/zinc/53/61/07/1080536107.db2.gz ONGGVQQPRRFTDY-OAQYLSRUSA-N 1 0 418.541 2.518 20 30 HFEDRO C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000807406238 1080599935 /nfs/dbraw/zinc/59/99/35/1080599935.db2.gz KSKUTRNWSGCJEO-UHFFFAOYSA-N 1 0 418.541 2.818 20 30 HFEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000807469774 1080648777 /nfs/dbraw/zinc/64/87/77/1080648777.db2.gz LHAXOEWPNKUHCT-WXFUMESZSA-N 1 0 405.542 2.803 20 30 HFEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000807543094 1080758929 /nfs/dbraw/zinc/75/89/29/1080758929.db2.gz BCOBMXNIZRCVOJ-ZHALLVOQSA-N 1 0 406.486 2.695 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000747404754 1080787243 /nfs/dbraw/zinc/78/72/43/1080787243.db2.gz PBVBKTKVCDSDMZ-UHFFFAOYSA-N 1 0 402.292 2.508 20 30 HFEDRO N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4C[NH2+]C[C@]4(CO)C3)cnc2Cl)c1 ZINC001164410002 718855098 /nfs/dbraw/zinc/85/50/98/718855098.db2.gz YKQFBHDCUVSABQ-VQIMIIECSA-N 1 0 404.848 2.837 20 30 HFEDRO CC(C)N(C)Cc1nn(-c2ccc([C@@H](C#N)c3ccccc3F)nn2)c2c1CC[NH2+]C2 ZINC001164681280 719630132 /nfs/dbraw/zinc/63/01/32/719630132.db2.gz FSZJPTLBHBJLJL-SFHVURJKSA-N 1 0 419.508 2.943 20 30 HFEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(SC)nc(Cl)c1C#N)C2 ZINC001164813695 720067009 /nfs/dbraw/zinc/06/70/09/720067009.db2.gz VIUIXBCRKSUCRD-AUUYWEPGSA-N 1 0 407.971 2.908 20 30 HFEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])cc1C#N)CC2 ZINC001164719564 720112551 /nfs/dbraw/zinc/11/25/51/720112551.db2.gz YYEUDGQEKAUNIA-HXUWFJFHSA-N 1 0 422.489 2.764 20 30 HFEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746350 720625351 /nfs/dbraw/zinc/62/53/51/720625351.db2.gz XYCVIVZTELVWSN-VQTJNVASSA-N 1 0 416.460 2.891 20 30 HFEDRO COC(=O)c1cc(C#N)cnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164837064 720724661 /nfs/dbraw/zinc/72/46/61/720724661.db2.gz DEGYRBIXBWBQNS-FQEVSTJZSA-N 1 0 420.513 3.000 20 30 HFEDRO N#Cc1c(Cl)c2ccccc2nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746339 720754470 /nfs/dbraw/zinc/75/44/70/720754470.db2.gz XORPHNWLMPVUMU-HUUCEWRRSA-N 1 0 406.877 2.892 20 30 HFEDRO Cc1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C#N ZINC001164743936 720812229 /nfs/dbraw/zinc/81/22/29/720812229.db2.gz GZMWRCAHVHYKHQ-JENIJYKNSA-N 1 0 411.941 2.886 20 30 HFEDRO N#Cc1c2c(cnc1N1CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C1)CCCC2 ZINC001164753999 720860631 /nfs/dbraw/zinc/86/06/31/720860631.db2.gz ZQIKCFXWLZUQFL-MIZPHKNDSA-N 1 0 417.561 2.803 20 30 HFEDRO Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cnc1C#N ZINC001164756259 720902331 /nfs/dbraw/zinc/90/23/31/720902331.db2.gz OWYDKFJPUFDCTL-QPPBQGQZSA-N 1 0 418.545 2.807 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(C#N)cc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164769941 721141094 /nfs/dbraw/zinc/14/10/94/721141094.db2.gz QLWJJEBBOZBFID-HOTGVXAUSA-N 1 0 406.868 2.843 20 30 HFEDRO N#Cc1ccc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164982752 722105835 /nfs/dbraw/zinc/10/58/35/722105835.db2.gz ONMFLMKXRFRKSI-SIKLNZKXSA-N 1 0 400.486 2.624 20 30 HFEDRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cnc(Cl)c(C#N)c1)CCC2 ZINC001165001482 722253738 /nfs/dbraw/zinc/25/37/38/722253738.db2.gz ABEFZGAGQZYEFH-UHFFFAOYSA-N 1 0 424.883 2.837 20 30 HFEDRO Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(N4CCC[N@@H+](C)CC4)cc3)CC2)o1 ZINC000793103770 1078078066 /nfs/dbraw/zinc/07/80/66/1078078066.db2.gz UWVQSNKQZMPXQI-UHFFFAOYSA-N 1 0 422.533 2.852 20 30 HFEDRO C=CCn1c(=S)n(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1-c1cnccn1 ZINC000772829457 1078094460 /nfs/dbraw/zinc/09/44/60/1078094460.db2.gz SKIZLIUMPQYTAU-LPHOPBHVSA-N 1 0 411.579 2.963 20 30 HFEDRO CC(C)=CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1C#N ZINC000790700405 1078099496 /nfs/dbraw/zinc/09/94/96/1078099496.db2.gz DZSWOLXJCNXSOF-SFHVURJKSA-N 1 0 413.547 2.524 20 30 HFEDRO C=CC[C@@]1(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790741221 1078121247 /nfs/dbraw/zinc/12/12/47/1078121247.db2.gz FHIMAPIDIXYLSC-AVRDEDQJSA-N 1 0 407.555 2.513 20 30 HFEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000790778448 1078131167 /nfs/dbraw/zinc/13/11/67/1078131167.db2.gz YTXBVQWXXZIVTE-HXUWFJFHSA-N 1 0 402.416 2.592 20 30 HFEDRO C=CC[C@@]1(C(=O)N2CCC([N@H+](C)CCCO)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790820913 1078156003 /nfs/dbraw/zinc/15/60/03/1078156003.db2.gz BKFSZBZINXDDQI-QFIPXVFZSA-N 1 0 409.571 2.637 20 30 HFEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000790866355 1078163742 /nfs/dbraw/zinc/16/37/42/1078163742.db2.gz NGZPMQHBCFNNLA-HXUWFJFHSA-N 1 0 402.416 2.940 20 30 HFEDRO CN(C(=O)c1ccc(NCc2cnc3ccc(C#N)cn23)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000793604325 1078221622 /nfs/dbraw/zinc/22/16/22/1078221622.db2.gz FOQJLIKTQFOLEW-FQEVSTJZSA-N 1 0 402.502 2.984 20 30 HFEDRO NC(=[NH+]OCc1cccc(Br)n1)c1ccc(N2CCC(O)CC2)cc1 ZINC000793828154 1078319204 /nfs/dbraw/zinc/31/92/04/1078319204.db2.gz KGIZNOLKXSEMHR-UHFFFAOYSA-N 1 0 405.296 2.642 20 30 HFEDRO C#CCNc1nc(N[C@@H]2CCOC3(CCC3)C2)[nH+]c(N[C@@H]2CCOC3(CCC3)C2)n1 ZINC000804562691 1078598400 /nfs/dbraw/zinc/59/84/00/1078598400.db2.gz QNWGDTOCFRHVPR-IAGOWNOFSA-N 1 0 412.538 2.944 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccncc1 ZINC000804643503 1078693195 /nfs/dbraw/zinc/69/31/95/1078693195.db2.gz KMORVHYVECUZJV-BWAGFHJFSA-N 1 0 406.530 2.984 20 30 HFEDRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1ccc(C#N)cn1 ZINC001129975623 1078719097 /nfs/dbraw/zinc/71/90/97/1078719097.db2.gz CPGODOCOLNWAOH-UHFFFAOYSA-N 1 0 402.296 2.966 20 30 HFEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000804891061 1078750281 /nfs/dbraw/zinc/75/02/81/1078750281.db2.gz FYXBDGUZCGPWES-INIZCTEOSA-N 1 0 409.452 2.788 20 30 HFEDRO Cc1cc(=O)cc(C)n1CCCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001130341436 1079213144 /nfs/dbraw/zinc/21/31/44/1079213144.db2.gz MLKBQHQUTQFLPL-UHFFFAOYSA-N 1 0 406.530 2.898 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)c1ccncc1 ZINC000805806137 1079282179 /nfs/dbraw/zinc/28/21/79/1079282179.db2.gz IZQXAPKFGOQVFH-KNQAVFIVSA-N 1 0 406.530 2.938 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccncc1 ZINC000805809894 1079285632 /nfs/dbraw/zinc/28/56/32/1079285632.db2.gz ZMXYZJNKQNTNBI-JOCHJYFZSA-N 1 0 421.545 2.975 20 30 HFEDRO N#Cc1ccc(NCCNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)nc1 ZINC000747296680 1079397686 /nfs/dbraw/zinc/39/76/86/1079397686.db2.gz KMFOBRPSISRRNI-UHFFFAOYSA-N 1 0 410.547 2.778 20 30 HFEDRO COc1ccc(CNC(=O)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1C#N ZINC000787735769 1076935783 /nfs/dbraw/zinc/93/57/83/1076935783.db2.gz HKIULVOKLZLMIP-OAQYLSRUSA-N 1 0 420.513 2.526 20 30 HFEDRO COc1ccc(CNC(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1C#N ZINC000746712810 1076991228 /nfs/dbraw/zinc/99/12/28/1076991228.db2.gz NOIWTWCHRVHQLW-JOCHJYFZSA-N 1 0 421.545 2.745 20 30 HFEDRO C#CCOc1ccccc1C[NH2+]C[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000788530009 1077203799 /nfs/dbraw/zinc/20/37/99/1077203799.db2.gz UYZSWODHYGJQEH-NRFANRHFSA-N 1 0 410.489 2.645 20 30 HFEDRO C#CCn1ccc(CN(CC)C(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)n1 ZINC000788848213 1077318676 /nfs/dbraw/zinc/31/86/76/1077318676.db2.gz DDABHXLPPDTVPG-JOCHJYFZSA-N 1 0 409.534 2.894 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)n1 ZINC000788866148 1077324441 /nfs/dbraw/zinc/32/44/41/1077324441.db2.gz CYRBHBMNRKNPRI-QFIPXVFZSA-N 1 0 409.534 2.511 20 30 HFEDRO CC1(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000791285803 1077370437 /nfs/dbraw/zinc/37/04/37/1077370437.db2.gz JVSDTJLFMHJHHH-UHFFFAOYSA-N 1 0 403.530 2.904 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)n1 ZINC000789028245 1077388653 /nfs/dbraw/zinc/38/86/53/1077388653.db2.gz UBNIZDNESACZBW-HXUWFJFHSA-N 1 0 423.561 2.900 20 30 HFEDRO CC(=O)C1C(C)=NC(C(=O)C(C(=S)NC2(C)CC2)[n+]2ccc(N(C)C)cc2)=C1C ZINC000789419485 1077550759 /nfs/dbraw/zinc/55/07/59/1077550759.db2.gz KVMZXAUVTYOGNN-UHFFFAOYSA-O 1 0 413.567 2.868 20 30 HFEDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(C(=O)N(CCC#N)c3ccccc3)cn2)O1 ZINC001170279433 1077935464 /nfs/dbraw/zinc/93/54/64/1077935464.db2.gz YRNFTFQXRGGBGX-VIZSFHNOSA-N 1 0 423.517 2.779 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cc(C)ccc1C ZINC000792750067 1077984665 /nfs/dbraw/zinc/98/46/65/1077984665.db2.gz IQTNBWCSFPKVDZ-HKUYNNGSSA-N 1 0 414.575 2.715 20 30 HFEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)CC1 ZINC000792953157 1078034086 /nfs/dbraw/zinc/03/40/86/1078034086.db2.gz NAZQONVILKDZSC-FQEVSTJZSA-N 1 0 414.550 2.985 20 30 HFEDRO CC(=O)N[C@H](CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cccs1 ZINC001130563283 1079516693 /nfs/dbraw/zinc/51/66/93/1079516693.db2.gz MDZPDVLGGBJUQH-HXUWFJFHSA-N 1 0 410.543 2.968 20 30 HFEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cn(Cc4ccccc4)nn3)CC2)c1 ZINC001130563624 1079517361 /nfs/dbraw/zinc/51/73/61/1079517361.db2.gz VNSGWUWKDMHCMW-UHFFFAOYSA-N 1 0 400.486 2.592 20 30 HFEDRO C=CCN1C(=O)c2ccc(C(=O)N[C@@]3(C)CC[N@H+](Cc4ccccc4)C3)cc2C1=O ZINC001130609268 1079628300 /nfs/dbraw/zinc/62/83/00/1079628300.db2.gz DQYYWNKEFGUEEI-DEOSSOPVSA-N 1 0 403.482 2.863 20 30 HFEDRO C#CCOc1ccccc1NC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000806438703 1079706913 /nfs/dbraw/zinc/70/69/13/1079706913.db2.gz MAYHCEZVNQDTJQ-UHFFFAOYSA-N 1 0 406.530 2.980 20 30 HFEDRO C[NH+](C)CCn1ncc(C(=O)NCc2ccc(OCC#N)cc2)c1-c1ccccc1 ZINC000806772130 1079992150 /nfs/dbraw/zinc/99/21/50/1079992150.db2.gz LEGRYVBLSQDLBM-UHFFFAOYSA-N 1 0 403.486 2.944 20 30 HFEDRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807248039 1080403899 /nfs/dbraw/zinc/40/38/99/1080403899.db2.gz IEOAKRLLQYUXKU-UHFFFAOYSA-N 1 0 410.543 2.847 20 30 HFEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807250032 1080406813 /nfs/dbraw/zinc/40/68/13/1080406813.db2.gz PDWPJUFNWLFPQM-KUHUBIRLSA-N 1 0 408.527 2.502 20 30 HFEDRO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)c2)s1 ZINC000807249458 1080408842 /nfs/dbraw/zinc/40/88/42/1080408842.db2.gz VLMSOIXMRKNKSS-UHFFFAOYSA-N 1 0 422.554 2.894 20 30 HFEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000807249302 1080409645 /nfs/dbraw/zinc/40/96/45/1080409645.db2.gz PHSLFJWPLGHBIU-UYAOXDASSA-N 1 0 422.554 2.846 20 30 HFEDRO C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000807355151 1080516308 /nfs/dbraw/zinc/51/63/08/1080516308.db2.gz NOBVWIRRKVOFSA-VWLOTQADSA-N 1 0 417.509 2.762 20 30 HFEDRO C#C[C@H](NC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1OC)c1ccc(Cl)cc1F ZINC000807327989 1080525996 /nfs/dbraw/zinc/52/59/96/1080525996.db2.gz FHFPMPGHKCDRGR-KRWDZBQOSA-N 1 0 417.868 2.979 20 30 HFEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000807335223 1080534389 /nfs/dbraw/zinc/53/43/89/1080534389.db2.gz AARWRPZVSHGSCH-QFIPXVFZSA-N 1 0 418.541 2.518 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)n1 ZINC000807407255 1080600981 /nfs/dbraw/zinc/60/09/81/1080600981.db2.gz MIAIHUGJUWDBKT-DENIHFKCSA-N 1 0 411.550 2.674 20 30 HFEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000807465234 1080642568 /nfs/dbraw/zinc/64/25/68/1080642568.db2.gz GWAHEPQWCVFLEU-RBZQAINGSA-N 1 0 405.542 2.803 20 30 HFEDRO C#C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)C(C)(C)C ZINC000807534513 1080748351 /nfs/dbraw/zinc/74/83/51/1080748351.db2.gz HFMYSHABYJYCKR-IBGZPJMESA-N 1 0 412.534 2.604 20 30 HFEDRO C#C[C@@H](NC(=O)C(=O)Nc1c(C)cnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000807535933 1080751269 /nfs/dbraw/zinc/75/12/69/1080751269.db2.gz GUTDUKLTVVDKPP-VQTJNVASSA-N 1 0 421.545 2.741 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]2C[C@@H]2C)CC1 ZINC000747404986 1080787315 /nfs/dbraw/zinc/78/73/15/1080787315.db2.gz RSAKBVKJKRYEQR-DOTOQJQBSA-N 1 0 413.518 2.516 20 30 HFEDRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)c(-c2ccc(C#N)cc2)c1 ZINC001164630608 719138863 /nfs/dbraw/zinc/13/88/63/719138863.db2.gz JUOGQOFJLNASQN-INIZCTEOSA-N 1 0 406.820 2.770 20 30 HFEDRO C[NH+](C)Cc1ccnc(N2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)c1 ZINC001164664910 719359111 /nfs/dbraw/zinc/35/91/11/719359111.db2.gz RZRVVHMMXFHUKZ-HSZRJFAPSA-N 1 0 406.534 2.533 20 30 HFEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncc3c(c2C#N)CCCC3)CC1 ZINC001164829574 720354701 /nfs/dbraw/zinc/35/47/01/720354701.db2.gz SPCQMPLJYWSZHB-YADHBBJMSA-N 1 0 407.562 2.744 20 30 HFEDRO Cc1ccc([C@@H](C#N)c2ccc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)nn2)cc1 ZINC001164732018 720507370 /nfs/dbraw/zinc/50/73/70/720507370.db2.gz SIKKBTAVBPPIIY-UYAOXDASSA-N 1 0 401.518 2.835 20 30 HFEDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(-c3cccs3)ccc1C#N)CC2 ZINC001164754586 720963908 /nfs/dbraw/zinc/96/39/08/720963908.db2.gz UEZSRWDAKCKXBC-UHFFFAOYSA-N 1 0 422.514 2.524 20 30 HFEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc(CC#N)cc4Cl)C3)O2)CC1 ZINC001164889577 721443780 /nfs/dbraw/zinc/44/37/80/721443780.db2.gz BVOGKBHACPPRSX-NQIIRXRSSA-N 1 0 403.958 2.566 20 30 HFEDRO N#Cc1ccc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164982751 722105750 /nfs/dbraw/zinc/10/57/50/722105750.db2.gz ONMFLMKXRFRKSI-KNQAVFIVSA-N 1 0 400.486 2.624 20 30 HFEDRO C=CC[C@]1(C(=O)N2CCC(OCC[NH+](C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790637915 1078071825 /nfs/dbraw/zinc/07/18/25/1078071825.db2.gz YAIQAKJNPOFOPQ-JOCHJYFZSA-N 1 0 409.571 2.901 20 30 HFEDRO C#C[C@H](CCC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1F ZINC000790696427 1078098671 /nfs/dbraw/zinc/09/86/71/1078098671.db2.gz FTZMGHXMCARFIQ-QAPCUYQASA-N 1 0 418.538 2.627 20 30 HFEDRO CC(C)=CCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(F)cc1 ZINC000790696649 1078099053 /nfs/dbraw/zinc/09/90/53/1078099053.db2.gz VBNDIMYWNTWRGQ-QGZVFWFLSA-N 1 0 406.527 2.791 20 30 HFEDRO C=CC[C@]1(C(=O)N2CCC([N@H+](C)CCCO)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790820912 1078156025 /nfs/dbraw/zinc/15/60/25/1078156025.db2.gz BKFSZBZINXDDQI-JOCHJYFZSA-N 1 0 409.571 2.637 20 30 HFEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000793589490 1078216993 /nfs/dbraw/zinc/21/69/93/1078216993.db2.gz KPYYOPLYJSUDSC-UXHICEINSA-N 1 0 401.599 2.948 20 30 HFEDRO C#C[C@H](NC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1)c1ccc(Cl)cc1F ZINC000804419398 1078468613 /nfs/dbraw/zinc/46/86/13/1078468613.db2.gz MCVDDYJMQHTMLZ-GMBSWORKSA-N 1 0 405.901 2.602 20 30 HFEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC001129585693 1078584087 /nfs/dbraw/zinc/58/40/87/1078584087.db2.gz VYCZRYIUQGLOEO-UHFFFAOYSA-N 1 0 410.547 2.802 20 30 HFEDRO COC(OC)c1c(C#N)ccnc1-n1ccc(=NC(=O)C2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC001170486415 1079208555 /nfs/dbraw/zinc/20/85/55/1079208555.db2.gz JDGSHPRATVFTBT-KLAILNCOSA-N 1 0 423.517 2.616 20 30 HFEDRO N#Cc1ccncc1C(=O)OCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000805716472 1079234013 /nfs/dbraw/zinc/23/40/13/1079234013.db2.gz STLZZKRMIIFEJM-IBGZPJMESA-N 1 0 412.877 2.717 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)c1ccncc1 ZINC000805807252 1079282758 /nfs/dbraw/zinc/28/27/58/1079282758.db2.gz CZVGTIFFOMRGRS-JOCHJYFZSA-N 1 0 406.530 2.858 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1ccncc1 ZINC000805813523 1079286921 /nfs/dbraw/zinc/28/69/21/1079286921.db2.gz GVRCQKAUDZHCEE-IBGZPJMESA-N 1 0 416.591 2.683 20 30 HFEDRO C#C[C@@H](NC(=O)NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(Cl)cc1F ZINC000805242429 1079351095 /nfs/dbraw/zinc/35/10/95/1079351095.db2.gz MSLDZVGJAUPEDD-GOSISDBHSA-N 1 0 404.873 2.988 20 30 HFEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 ZINC000806170916 1079460977 /nfs/dbraw/zinc/46/09/77/1079460977.db2.gz JYTJUUDIZOJNTQ-NVXWUHKLSA-N 1 0 401.960 2.739 20 30 HFEDRO C[NH+]1CCC(C#N)(NC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000787330297 1076743024 /nfs/dbraw/zinc/74/30/24/1076743024.db2.gz BDRQGJQQWDZXKV-UHFFFAOYSA-N 1 0 418.497 2.629 20 30 HFEDRO CC[NH+](CC)CCO[C@@H]1CCN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000746676108 1076749612 /nfs/dbraw/zinc/74/96/12/1076749612.db2.gz SFFHSLCWOJGNDX-SJORKVTESA-N 1 0 400.548 2.905 20 30 HFEDRO COc1ccc(CNC(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)cc1C#N ZINC000746712811 1076991272 /nfs/dbraw/zinc/99/12/72/1076991272.db2.gz NOIWTWCHRVHQLW-QFIPXVFZSA-N 1 0 421.545 2.745 20 30 HFEDRO N#Cc1cccc(OCc2ccoc2C(=O)O[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)c1 ZINC000788065580 1077048174 /nfs/dbraw/zinc/04/81/74/1077048174.db2.gz DUHISJXWXGRFAS-SFHVURJKSA-N 1 0 419.441 2.928 20 30 HFEDRO C#CCN1CCN(Cn2[nH]c(-c3ccc(OC)c(Br)c3)nc2=S)CC1 ZINC000788768118 1077282152 /nfs/dbraw/zinc/28/21/52/1077282152.db2.gz BMAJUQBYIZJKIQ-UHFFFAOYSA-N 1 0 422.352 2.587 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000788925846 1077338501 /nfs/dbraw/zinc/33/85/01/1077338501.db2.gz MKTFEVZIKHETBI-UHFFFAOYSA-N 1 0 415.582 2.719 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000789045586 1077393690 /nfs/dbraw/zinc/39/36/90/1077393690.db2.gz DDOCNNBWNCQGEV-HXUWFJFHSA-N 1 0 417.941 2.631 20 30 HFEDRO C[C@@H]1CC[C@H]([N@H+](CC(=O)N2C[C@@H](F)C[C@H]2C#N)C(C)(C)CC(=O)N2CCCC2)C1 ZINC001170159227 1077537058 /nfs/dbraw/zinc/53/70/58/1077537058.db2.gz RRHVUQPJZVPFAV-XWSJACJDSA-N 1 0 406.546 2.731 20 30 HFEDRO C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CCN(c2cnccn2)CC1 ZINC000789367116 1077540118 /nfs/dbraw/zinc/54/01/18/1077540118.db2.gz QMVCKERFWRVWCR-GOSISDBHSA-N 1 0 413.485 2.614 20 30 HFEDRO CN(C(=O)C(=O)Nc1cccc(OCC#N)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746808392 1077566001 /nfs/dbraw/zinc/56/60/01/1077566001.db2.gz UQDIYOBLBVSWJI-FQEVSTJZSA-N 1 0 406.486 2.650 20 30 HFEDRO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000746839896 1077708913 /nfs/dbraw/zinc/70/89/13/1077708913.db2.gz KTTRELUBVCRNTE-QGZVFWFLSA-N 1 0 402.539 2.951 20 30 HFEDRO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000746839895 1077708937 /nfs/dbraw/zinc/70/89/37/1077708937.db2.gz KTTRELUBVCRNTE-KRWDZBQOSA-N 1 0 402.539 2.951 20 30 HFEDRO C#CCN(C(=O)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1)C1CCCC1 ZINC000792292158 1077778285 /nfs/dbraw/zinc/77/82/85/1077778285.db2.gz GWWBKDSCPLCITR-UHFFFAOYSA-N 1 0 410.562 2.868 20 30 HFEDRO C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000789794760 1077801250 /nfs/dbraw/zinc/80/12/50/1077801250.db2.gz KTWKGZJIYGRKDA-LJQANCHMSA-N 1 0 421.545 2.735 20 30 HFEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792368098 1077817776 /nfs/dbraw/zinc/81/77/76/1077817776.db2.gz ITYMNBUNRZGAIS-HKUYNNGSSA-N 1 0 406.486 2.554 20 30 HFEDRO C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC000792450204 1077854140 /nfs/dbraw/zinc/85/41/40/1077854140.db2.gz OOFMJFMMAPGZLE-INIZCTEOSA-N 1 0 404.942 2.729 20 30 HFEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC001170183289 1077903375 /nfs/dbraw/zinc/90/33/75/1077903375.db2.gz FOIZCBMXDQTFLH-PKTZIBPZSA-N 1 0 421.541 2.901 20 30 HFEDRO CN(C)C(=O)CN1CC[C@@]2(CCC[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C2)C1=O ZINC001170381127 1077963638 /nfs/dbraw/zinc/96/36/38/1077963638.db2.gz HVXPREDDJMOLDD-ZZVXHFGESA-N 1 0 422.573 2.793 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cc(C)ccc1F ZINC000792748397 1077983855 /nfs/dbraw/zinc/98/38/55/1077983855.db2.gz OZGPMCCGVYWGSP-MAUKXSAKSA-N 1 0 418.538 2.545 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccccc1C ZINC000792748919 1077984697 /nfs/dbraw/zinc/98/46/97/1077984697.db2.gz GTUJVXBMFYWCFO-MJGOQNOKSA-N 1 0 414.575 2.796 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(C)c(C)c1 ZINC000792751727 1077985700 /nfs/dbraw/zinc/98/57/00/1077985700.db2.gz RFMHHTBQHHUMCD-RTBURBONSA-N 1 0 414.575 2.715 20 30 HFEDRO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)c2)s1 ZINC000790275518 1077993833 /nfs/dbraw/zinc/99/38/33/1077993833.db2.gz ZLJPWWQOLTUHIG-RTBURBONSA-N 1 0 408.527 2.646 20 30 HFEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(C)c(Br)n1)C(C)C ZINC000792955191 1078034847 /nfs/dbraw/zinc/03/48/47/1078034847.db2.gz SQZQOKGKRRXPIH-OAHLLOKOSA-N 1 0 423.355 2.906 20 30 HFEDRO Cc1cc(F)ccc1-n1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nn1 ZINC001130563538 1079517250 /nfs/dbraw/zinc/51/72/50/1079517250.db2.gz RVOOVODMWSATFO-UHFFFAOYSA-N 1 0 418.476 2.981 20 30 HFEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CC(c3ccc(Cl)cc3Cl)=NO2)c1C#N ZINC000806380777 1079630566 /nfs/dbraw/zinc/63/05/66/1079630566.db2.gz FLBUBFOFNKMQBP-MRXNPFEDSA-N 1 0 421.288 2.872 20 30 HFEDRO C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1c1cn(C)cn1 ZINC001130630754 1079710854 /nfs/dbraw/zinc/71/08/54/1079710854.db2.gz UIHSIWDPARAAOV-TZWCSUAMSA-N 1 0 400.567 2.866 20 30 HFEDRO C#CCOc1ccc(NC(=O)C(=O)Nc2cccc(NC(=O)C[NH+](CC)CC)c2)cc1 ZINC000807011127 1080210198 /nfs/dbraw/zinc/21/01/98/1080210198.db2.gz WTGSZXQOFVVQIH-UHFFFAOYSA-N 1 0 422.485 2.556 20 30 HFEDRO C[C@@H](NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C(C)(C)C[NH+](C)C ZINC000807246727 1080402506 /nfs/dbraw/zinc/40/25/06/1080402506.db2.gz SJTFEZQRIITPRT-OAHLLOKOSA-N 1 0 412.559 2.995 20 30 HFEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC[C@@H]21 ZINC000807249848 1080408002 /nfs/dbraw/zinc/40/80/02/1080408002.db2.gz JEFGTOATRMSKCY-ICSRJNTNSA-N 1 0 422.554 2.846 20 30 HFEDRO C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000807406477 1080601813 /nfs/dbraw/zinc/60/18/13/1080601813.db2.gz QLIYUBJZEQVLOS-UHFFFAOYSA-N 1 0 418.541 2.818 20 30 HFEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000807469773 1080648728 /nfs/dbraw/zinc/64/87/28/1080648728.db2.gz LHAXOEWPNKUHCT-VXNXHJTFSA-N 1 0 405.542 2.803 20 30 HFEDRO C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1)C(C)(C)C ZINC000807536826 1080752301 /nfs/dbraw/zinc/75/23/01/1080752301.db2.gz QXXMWUSCPFHGBE-LJQANCHMSA-N 1 0 418.969 2.975 20 30 HFEDRO COCCn1cc([C@H]2[C@H](C[NH2+]Cc3cccc(C#N)c3)CC(=O)N2C(C)(C)C)cn1 ZINC000328602161 569416443 /nfs/dbraw/zinc/41/64/43/569416443.db2.gz ANXGYWQSKCDHBM-SIKLNZKXSA-N 1 0 409.534 2.879 20 30 HFEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CCO[C@@H]4C3)c(Cl)nn2)c1 ZINC001164391355 718826212 /nfs/dbraw/zinc/82/62/12/718826212.db2.gz UQKGJKQEQZAEIL-NVXWUHKLSA-N 1 0 405.836 2.781 20 30 HFEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCN4CC[NH2+]C[C@H]4C3)cnc2Cl)c1 ZINC001164399881 718844581 /nfs/dbraw/zinc/84/45/81/718844581.db2.gz IYRGWXGCKMATKI-KRWDZBQOSA-N 1 0 403.864 2.912 20 30 HFEDRO COc1cc(C(F)(F)n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c(C#N)c(Cl)n1 ZINC001164681299 719630050 /nfs/dbraw/zinc/63/00/50/719630050.db2.gz GKLSUPNFRQQISD-UHFFFAOYSA-N 1 0 424.883 2.895 20 30 HFEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1C#N)CC2 ZINC001164709720 720104950 /nfs/dbraw/zinc/10/49/50/720104950.db2.gz CNZUIYZMJQPGRH-GOSISDBHSA-N 1 0 412.925 2.904 20 30 HFEDRO N#Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc2ccc(Cl)cc12 ZINC001164750498 720799374 /nfs/dbraw/zinc/79/93/74/720799374.db2.gz VVUAQQKUMXFGFF-IAGOWNOFSA-N 1 0 406.877 2.892 20 30 HFEDRO N#Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc2ccc(Cl)cc12 ZINC001164750509 720800309 /nfs/dbraw/zinc/80/03/09/720800309.db2.gz VVUAQQKUMXFGFF-SJORKVTESA-N 1 0 406.877 2.892 20 30 HFEDRO CC1(C)CCCc2cc(C#N)c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc21 ZINC001164742726 720804473 /nfs/dbraw/zinc/80/44/73/720804473.db2.gz DCZSZLRKYWAXJH-RTBURBONSA-N 1 0 404.518 2.699 20 30 HFEDRO N#CCc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164749643 720854016 /nfs/dbraw/zinc/85/40/16/720854016.db2.gz NZQKDRYDJYBDML-CMKODMSKSA-N 1 0 411.941 2.772 20 30 HFEDRO Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C#N)n1 ZINC001164753484 720894091 /nfs/dbraw/zinc/89/40/91/720894091.db2.gz HBLRZPDLWHEBBW-XUZZJYLKSA-N 1 0 418.545 2.807 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(C#N)c4)C[C@@H]3C2)cn1 ZINC001164769915 721137833 /nfs/dbraw/zinc/13/78/33/721137833.db2.gz QAOCCRYURDHEFH-ZBFHGGJFSA-N 1 0 406.868 2.843 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(C#N)c4)C[C@@H]3C2)cn1 ZINC001164769914 721138899 /nfs/dbraw/zinc/13/88/99/721138899.db2.gz QAOCCRYURDHEFH-HOCLYGCPSA-N 1 0 406.868 2.843 20 30 HFEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc(CC#N)cc4Cl)C3)O2)CC1 ZINC001164889576 721443439 /nfs/dbraw/zinc/44/34/39/721443439.db2.gz BVOGKBHACPPRSX-GHTZIAJQSA-N 1 0 403.958 2.566 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3c(C#N)c[nH]c3n1)CC2 ZINC001164784433 721463964 /nfs/dbraw/zinc/46/39/64/721463964.db2.gz IALBNNUJEZSMBU-IBGZPJMESA-N 1 0 424.549 2.563 20 30 HFEDRO CSc1nc(-c2ccccc2)nc(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1C#N ZINC001164927399 721869943 /nfs/dbraw/zinc/86/99/43/721869943.db2.gz UUZIDXCTAHIGGZ-RBUKOAKNSA-N 1 0 408.575 2.952 20 30 HFEDRO N#Cc1cc(F)c(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976532 722100374 /nfs/dbraw/zinc/10/03/74/722100374.db2.gz DVHMIVDJRKCSBU-CRAIPNDOSA-N 1 0 401.873 2.868 20 30 HFEDRO C=CC[NH+]1CCC(NC(=O)c2nc(Br)ccc2Br)CC1 ZINC000790596654 1078063771 /nfs/dbraw/zinc/06/37/71/1078063771.db2.gz IAJOFGJAOQIMDV-UHFFFAOYSA-N 1 0 403.118 2.987 20 30 HFEDRO C=CC[C@]1(C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790634111 1078069487 /nfs/dbraw/zinc/06/94/87/1078069487.db2.gz RAQDBWDFSZBYFP-AUSIDOKSSA-N 1 0 422.614 2.722 20 30 HFEDRO C=CC[C@]1(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000790677170 1078087908 /nfs/dbraw/zinc/08/79/08/1078087908.db2.gz RAZPWXGERFZLSD-PGRDOPGGSA-N 1 0 407.555 2.513 20 30 HFEDRO C=CC[C@@]1(C(=O)N2CC[NH+](C3CCOCC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790716655 1078106718 /nfs/dbraw/zinc/10/67/18/1078106718.db2.gz XBXPSZYLCBWZDS-QFIPXVFZSA-N 1 0 407.555 2.655 20 30 HFEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000804916669 1078737520 /nfs/dbraw/zinc/73/75/20/1078737520.db2.gz BAZSMZNICFFVRO-JOCHJYFZSA-N 1 0 405.546 2.657 20 30 HFEDRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3cccc(Br)c3C#N)C2)CC1 ZINC000805088024 1078916240 /nfs/dbraw/zinc/91/62/40/1078916240.db2.gz SCDWFPIEJGIWRS-UHFFFAOYSA-N 1 0 412.353 2.817 20 30 HFEDRO N#Cc1ccc(F)c(CNC(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000805158147 1078950271 /nfs/dbraw/zinc/95/02/71/1078950271.db2.gz SQQNYCLVLXOQII-QFIPXVFZSA-N 1 0 421.520 2.799 20 30 HFEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CN(Cc4ccccc4)CCO3)CC2)c1 ZINC001130341412 1079213091 /nfs/dbraw/zinc/21/30/91/1079213091.db2.gz LEGILQLCCMNGSQ-XMMPIXPASA-N 1 0 418.541 2.540 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805805913 1079282246 /nfs/dbraw/zinc/28/22/46/1079282246.db2.gz GSZOQRHFOGAXQG-FCHUYYIVSA-N 1 0 406.530 2.938 20 30 HFEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](C(=O)OCc2ccccc2)c2ccccc2)CC1 ZINC000787541560 1076854707 /nfs/dbraw/zinc/85/47/07/1076854707.db2.gz KZJDEOXYPFEYKG-HSZRJFAPSA-N 1 0 404.510 2.975 20 30 HFEDRO N#Cc1nccc2cc(N(CC[NH3+])S(=O)(=O)c3cccc4cnccc43)ccc12 ZINC001170075263 1076870324 /nfs/dbraw/zinc/87/03/24/1076870324.db2.gz RRRUGCZCTJTTNV-UHFFFAOYSA-N 1 0 403.467 2.809 20 30 HFEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCc1cc(C#N)ccc1F)c1ccsc1 ZINC000787617942 1076880542 /nfs/dbraw/zinc/88/05/42/1076880542.db2.gz WAWSYJHWRDMZOZ-SFHVURJKSA-N 1 0 402.495 2.574 20 30 HFEDRO CC(C)(C)OC(=O)NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000788273769 1077095013 /nfs/dbraw/zinc/09/50/13/1077095013.db2.gz BKPASSWIDJKZOI-UXHICEINSA-N 1 0 414.550 2.864 20 30 HFEDRO C#CCn1ccc(CN(CC)C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)n1 ZINC000788381012 1077135654 /nfs/dbraw/zinc/13/56/54/1077135654.db2.gz SYSKANFUKWPGOV-JOCHJYFZSA-N 1 0 409.534 2.894 20 30 HFEDRO COc1cc(OC)cc([C@@H](O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000788521485 1077190501 /nfs/dbraw/zinc/19/05/01/1077190501.db2.gz KNYHCLZJUHCKDP-NRFANRHFSA-N 1 0 407.474 2.699 20 30 HFEDRO CCOC(=O)[C@@H]1[C@H]([NH2+]Cc2ccc(OCC#N)cc2)CCN1C(=O)OC(C)(C)C ZINC000788650922 1077225903 /nfs/dbraw/zinc/22/59/03/1077225903.db2.gz ZAHHRWNNCSTMKI-MSOLQXFVSA-N 1 0 403.479 2.620 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NCc2ccccc2C[NH+]2CCCCC2)n1 ZINC000788853002 1077321096 /nfs/dbraw/zinc/32/10/96/1077321096.db2.gz DBFUPJMZOGTYEN-UHFFFAOYSA-N 1 0 423.561 2.860 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000788924441 1077337322 /nfs/dbraw/zinc/33/73/22/1077337322.db2.gz DHCGGHXPLWKRRW-JOCHJYFZSA-N 1 0 423.561 2.587 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)n1 ZINC000788928806 1077339840 /nfs/dbraw/zinc/33/98/40/1077339840.db2.gz LOUVWMCJGNYKFC-HSZRJFAPSA-N 1 0 423.561 2.820 20 30 HFEDRO COc1cccc(C2=NO[C@@H](C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000791698551 1077532538 /nfs/dbraw/zinc/53/25/38/1077532538.db2.gz HLPVZRFSCCXWAA-JOCHJYFZSA-N 1 0 418.497 2.863 20 30 HFEDRO C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000746812305 1077554392 /nfs/dbraw/zinc/55/43/92/1077554392.db2.gz KKZMCHVVRRJWBZ-SFHVURJKSA-N 1 0 417.868 2.849 20 30 HFEDRO C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746806110 1077556166 /nfs/dbraw/zinc/55/61/66/1077556166.db2.gz AWDPPVKFQCJEKA-FQEVSTJZSA-N 1 0 423.488 2.899 20 30 HFEDRO N#CC1(c2ccccc2)CCC([N@H+]2CCc3nnc(Cn4cccn4)n3CC2)CC1 ZINC001170386432 1077957461 /nfs/dbraw/zinc/95/74/61/1077957461.db2.gz GHAURLMLKKNLBZ-UHFFFAOYSA-N 1 0 401.518 2.785 20 30 HFEDRO CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170382603 1077964107 /nfs/dbraw/zinc/96/41/07/1077964107.db2.gz BPBBKQLHZIASHV-FULISQOKSA-N 1 0 411.546 2.777 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1c(C)cccc1C ZINC000792741907 1077981912 /nfs/dbraw/zinc/98/19/12/1077981912.db2.gz FBQCWOONURTLKP-MSOLQXFVSA-N 1 0 414.575 2.715 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cc(C)ccc1F ZINC000792748395 1077983941 /nfs/dbraw/zinc/98/39/41/1077983941.db2.gz OZGPMCCGVYWGSP-CRAIPNDOSA-N 1 0 418.538 2.545 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1cccc(C)c1 ZINC000792749427 1077984354 /nfs/dbraw/zinc/98/43/54/1077984354.db2.gz HEJWGYXNLHAWBB-MOPGFXCFSA-N 1 0 414.575 2.796 20 30 HFEDRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCc1cc(C#N)ccc1F ZINC000806874816 1080074546 /nfs/dbraw/zinc/07/45/46/1080074546.db2.gz DLOVCIOPJYSHKL-UHFFFAOYSA-N 1 0 409.509 2.657 20 30 HFEDRO CCOC(=O)C1C[NH2+]CC=C1Nc1c(C#N)cnc2cc(Br)ccc21 ZINC001170516858 1080242699 /nfs/dbraw/zinc/24/26/99/1080242699.db2.gz IGSOQOUJJNWWSL-UHFFFAOYSA-N 1 0 401.264 2.513 20 30 HFEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N)c1ccco1 ZINC000807310585 1080505269 /nfs/dbraw/zinc/50/52/69/1080505269.db2.gz NLUOIBIQJYZNRT-CZUORRHYSA-N 1 0 402.426 2.505 20 30 HFEDRO C#CCOc1cccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000807354649 1080517141 /nfs/dbraw/zinc/51/71/41/1080517141.db2.gz FBQOHYMFCSTSJJ-RUZDIDTESA-N 1 0 417.509 2.762 20 30 HFEDRO C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000807405543 1080600942 /nfs/dbraw/zinc/60/09/42/1080600942.db2.gz DKXDSHXKWXUNEC-UHFFFAOYSA-N 1 0 421.566 2.878 20 30 HFEDRO C#CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000807509903 1080715265 /nfs/dbraw/zinc/71/52/65/1080715265.db2.gz PXJSDVRXLMMEFG-OAQYLSRUSA-N 1 0 423.513 2.843 20 30 HFEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NCC(C)(C)CCC#N)cc2)CC1 ZINC000807515659 1080769325 /nfs/dbraw/zinc/76/93/25/1080769325.db2.gz PJMNNPCNBAGNEO-UHFFFAOYSA-N 1 0 413.566 2.849 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC000747402298 1080769335 /nfs/dbraw/zinc/76/93/35/1080769335.db2.gz KCJHJYLTWHJIPV-FQEVSTJZSA-N 1 0 403.935 2.873 20 30 HFEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)c(F)cc2C#N)CC1 ZINC001164820251 720289562 /nfs/dbraw/zinc/28/95/62/720289562.db2.gz VGBWYESHSWZLHY-IRXDYDNUSA-N 1 0 405.905 2.657 20 30 HFEDRO COc1cc(C(F)(F)N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c(C#N)c(Cl)n1 ZINC001164726088 720518879 /nfs/dbraw/zinc/51/88/79/720518879.db2.gz ANBYQIDWLNZKKT-LBPRGKRZSA-N 1 0 410.856 2.555 20 30 HFEDRO N#Cc1cc2c(nc1N1CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C1)CCCC2 ZINC001164742513 720846390 /nfs/dbraw/zinc/84/63/90/720846390.db2.gz HEGWTXOJIZEJBD-QZNHQXDQSA-N 1 0 417.561 2.803 20 30 HFEDRO N#Cc1c2c(cnc1N1CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C1)CCCC2 ZINC001164754005 720860306 /nfs/dbraw/zinc/86/03/06/720860306.db2.gz ZQIKCFXWLZUQFL-TXTKFYIRSA-N 1 0 417.561 2.803 20 30 HFEDRO Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C#N)n1 ZINC001164753486 720893680 /nfs/dbraw/zinc/89/36/80/720893680.db2.gz HBLRZPDLWHEBBW-ZJSXRUAMSA-N 1 0 418.545 2.807 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(C#N)c(Cl)n4)C[C@H]3C2)cn1 ZINC001164762200 721078737 /nfs/dbraw/zinc/07/87/37/721078737.db2.gz CYVXSWJCZNSXLV-HZPDHXFCSA-N 1 0 406.868 2.843 20 30 HFEDRO Cc1cnc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c(C#C[Si](C)(C)C)c1 ZINC001164796851 721517489 /nfs/dbraw/zinc/51/74/89/721517489.db2.gz DZJWBAGKGIHFJW-UHFFFAOYSA-N 1 0 422.653 2.583 20 30 HFEDRO C=CCNC(=O)c1cccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960709 722060058 /nfs/dbraw/zinc/06/00/58/722060058.db2.gz INJJTEMACIELJA-UHFFFAOYSA-N 1 0 421.545 2.511 20 30 HFEDRO N#Cc1cc(C#N)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164981577 722116943 /nfs/dbraw/zinc/11/69/43/722116943.db2.gz UPMQZFDHYQOJTD-APWZRJJASA-N 1 0 408.893 2.601 20 30 HFEDRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cc(Cl)ncc1C#N)CCC2 ZINC001165001633 722254068 /nfs/dbraw/zinc/25/40/68/722254068.db2.gz DQEYLXSLMHKUAD-UHFFFAOYSA-N 1 0 424.883 2.837 20 30 HFEDRO C=CC[C@@]1(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000790629492 1078067881 /nfs/dbraw/zinc/06/78/81/1078067881.db2.gz OJNGRSZUSUKTDM-JPYJTQIMSA-N 1 0 420.598 2.617 20 30 HFEDRO C=CC[C@@]1(C(=O)N2CCC(OCC[NH+](C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790637916 1078071839 /nfs/dbraw/zinc/07/18/39/1078071839.db2.gz YAIQAKJNPOFOPQ-QFIPXVFZSA-N 1 0 409.571 2.901 20 30 HFEDRO C=CC[C@]1(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790654852 1078094682 /nfs/dbraw/zinc/09/46/82/1078094682.db2.gz IEYZWBZCRFBWRZ-FDDCHVKYSA-N 1 0 421.582 2.949 20 30 HFEDRO CC(C)=CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(C)cc1 ZINC000790688293 1078096930 /nfs/dbraw/zinc/09/69/30/1078096930.db2.gz BGXOUCPSKSNVDZ-SFHVURJKSA-N 1 0 402.564 2.961 20 30 HFEDRO C=CC[C@]1(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)CCCN1C(=O)OC(C)(C)C ZINC000790817386 1078153664 /nfs/dbraw/zinc/15/36/64/1078153664.db2.gz GSNHRBUOFLGILE-JOCHJYFZSA-N 1 0 418.538 2.694 20 30 HFEDRO CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C1=O ZINC000793987189 1078357245 /nfs/dbraw/zinc/35/72/45/1078357245.db2.gz QGVNLUZWJATSBB-NRFANRHFSA-N 1 0 422.570 2.724 20 30 HFEDRO N#Cc1cc(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)ccc1Cl ZINC001129872755 1078569281 /nfs/dbraw/zinc/56/92/81/1078569281.db2.gz PGWDPAHFCFZEPC-UHFFFAOYSA-N 1 0 410.905 2.839 20 30 HFEDRO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)c2)s1 ZINC000804731428 1078589286 /nfs/dbraw/zinc/58/92/86/1078589286.db2.gz NITVFCJTXHOINY-GOSISDBHSA-N 1 0 408.527 2.503 20 30 HFEDRO C#CCNc1nc(NC2CCC(O)(CC)CC2)[nH+]c(NC2CCC(O)(CC)CC2)n1 ZINC000804589528 1078623103 /nfs/dbraw/zinc/62/31/03/1078623103.db2.gz DWSJHRFALOWAIX-UHFFFAOYSA-N 1 0 416.570 2.908 20 30 HFEDRO C=CCNC(=S)C(C(=O)c1ccc(C(F)(F)F)cn1)[n+]1ccc(N(C)C)cc1 ZINC000804600759 1078645780 /nfs/dbraw/zinc/64/57/80/1078645780.db2.gz DWQOXEWHGIDHPA-UHFFFAOYSA-O 1 0 409.457 2.921 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccncc1 ZINC000804643504 1078693182 /nfs/dbraw/zinc/69/31/82/1078693182.db2.gz KMORVHYVECUZJV-COPCDDAFSA-N 1 0 406.530 2.984 20 30 HFEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000804898876 1078754112 /nfs/dbraw/zinc/75/41/12/1078754112.db2.gz QDNJUGLWONYQDZ-UHFFFAOYSA-N 1 0 412.578 2.792 20 30 HFEDRO C#CCOCCC(=O)OC1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000788050010 1077041847 /nfs/dbraw/zinc/04/18/47/1077041847.db2.gz NAWNOWUNYKQVOO-UHFFFAOYSA-N 1 0 410.308 2.875 20 30 HFEDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cnc1Br ZINC000788176230 1077067352 /nfs/dbraw/zinc/06/73/52/1077067352.db2.gz CULBBNUCMPCJGM-UHFFFAOYSA-N 1 0 417.307 2.928 20 30 HFEDRO C#CC[C@]1(C(=O)NC2CC[NH+](CCOC(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000788305650 1077092957 /nfs/dbraw/zinc/09/29/57/1077092957.db2.gz OHJOFVDMRFZOOV-HSZRJFAPSA-N 1 0 421.582 2.785 20 30 HFEDRO COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1NCc1ccc(C#N)c(F)c1 ZINC001170089234 1077280274 /nfs/dbraw/zinc/28/02/74/1077280274.db2.gz IGPCUHIKLVNJJA-MRXNPFEDSA-N 1 0 414.481 2.810 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)n1 ZINC000788850598 1077319176 /nfs/dbraw/zinc/31/91/76/1077319176.db2.gz SJEXKQREHXICTO-IBGZPJMESA-N 1 0 415.563 2.573 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000788924442 1077337339 /nfs/dbraw/zinc/33/73/39/1077337339.db2.gz DHCGGHXPLWKRRW-QFIPXVFZSA-N 1 0 423.561 2.587 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000789068665 1077396204 /nfs/dbraw/zinc/39/62/04/1077396204.db2.gz YKJRCVQUOKIKLQ-NZQKXSOJSA-N 1 0 423.561 2.585 20 30 HFEDRO N#Cc1ccccc1N1CCC(NC(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001170155333 1077409750 /nfs/dbraw/zinc/40/97/50/1077409750.db2.gz NMQOPIOVZKFHDF-VWLOTQADSA-N 1 0 418.541 2.670 20 30 HFEDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2F)CC1 ZINC000791573615 1077467399 /nfs/dbraw/zinc/46/73/99/1077467399.db2.gz NLGAWEVVNUKEEY-OAQYLSRUSA-N 1 0 419.504 2.838 20 30 HFEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000792319986 1077805120 /nfs/dbraw/zinc/80/51/20/1077805120.db2.gz ALPXKXGIEONCAN-UHFFFAOYSA-N 1 0 409.461 2.897 20 30 HFEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000792324085 1077806678 /nfs/dbraw/zinc/80/66/78/1077806678.db2.gz NWJOBEZVLBRPCN-UHFFFAOYSA-N 1 0 409.461 2.943 20 30 HFEDRO C=CCc1ccnc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)c1C(OC)OC ZINC001170165668 1077845363 /nfs/dbraw/zinc/84/53/63/1077845363.db2.gz BUAHHFHQBOYWJO-UHFFFAOYSA-N 1 0 411.506 2.970 20 30 HFEDRO C=CC[C@@]1(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCCN1C(=O)OC(C)(C)C ZINC000790219879 1077972926 /nfs/dbraw/zinc/97/29/26/1077972926.db2.gz NLGNEEKVKMFHCZ-AVRDEDQJSA-N 1 0 409.571 2.805 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccc(F)cc1 ZINC000792749788 1077984933 /nfs/dbraw/zinc/98/49/33/1077984933.db2.gz RRAWDEGUPBTDCO-QZTJIDSGSA-N 1 0 418.538 2.627 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(C)c(F)c1 ZINC000792751399 1077985185 /nfs/dbraw/zinc/98/51/85/1077985185.db2.gz ZYQREZGYXQRHPD-SJLPKXTDSA-N 1 0 418.538 2.545 20 30 HFEDRO C=CCCCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1C ZINC000790273733 1077993027 /nfs/dbraw/zinc/99/30/27/1077993027.db2.gz BVDJCYWLKVHUQK-GOSISDBHSA-N 1 0 402.564 2.961 20 30 HFEDRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000792994566 1078043180 /nfs/dbraw/zinc/04/31/80/1078043180.db2.gz GRSZYZFPVOZDIU-INIZCTEOSA-N 1 0 422.533 2.580 20 30 HFEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807249986 1080407289 /nfs/dbraw/zinc/40/72/89/1080407289.db2.gz NPBKLWKAGKYZFR-DNVCBOLYSA-N 1 0 410.543 2.702 20 30 HFEDRO C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]([NH2+][C@H](C)CC)c1ccco1 ZINC000807311096 1080504031 /nfs/dbraw/zinc/50/40/31/1080504031.db2.gz YHIOEFGLVMITCG-RHSMWYFYSA-N 1 0 401.438 2.615 20 30 HFEDRO C#CCOc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c1 ZINC000807509609 1080715842 /nfs/dbraw/zinc/71/58/42/1080715842.db2.gz LXBNKYDZEXLWQK-QFIPXVFZSA-N 1 0 423.513 2.843 20 30 HFEDRO C#C[C@@H](NC(=O)C(=O)Nc1c(C)cnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000807535934 1080751306 /nfs/dbraw/zinc/75/13/06/1080751306.db2.gz GUTDUKLTVVDKPP-WOJBJXKFSA-N 1 0 421.545 2.741 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]2C[C@H]2C)CC1 ZINC000747404994 1080785992 /nfs/dbraw/zinc/78/59/92/1080785992.db2.gz RSAKBVKJKRYEQR-WBVHZDCISA-N 1 0 413.518 2.516 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)CCNC(=O)Nc2ccc(Br)cc2)CC1 ZINC000747405086 1080786359 /nfs/dbraw/zinc/78/63/59/1080786359.db2.gz UHBZNUOBCFIFIK-UHFFFAOYSA-N 1 0 421.339 2.565 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)CC1 ZINC000747404788 1080787252 /nfs/dbraw/zinc/78/72/52/1080787252.db2.gz QIPACIJFRRHORL-UHFFFAOYSA-N 1 0 411.546 2.653 20 30 HFEDRO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000328606094 569418336 /nfs/dbraw/zinc/41/83/36/569418336.db2.gz QLCSWLWGJHODKV-INIZCTEOSA-N 1 0 409.490 2.994 20 30 HFEDRO CC(C)N(C)Cc1nn(-c2nc(C#N)ccc2NC(=O)C(C)(C)C)c2c1CC[NH2+]C2 ZINC001164681307 719632280 /nfs/dbraw/zinc/63/22/80/719632280.db2.gz GQQGMJOVJLNPAJ-UHFFFAOYSA-N 1 0 409.538 2.609 20 30 HFEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc(CC#N)cc2Cl)CC1 ZINC001164827873 720347862 /nfs/dbraw/zinc/34/78/62/720347862.db2.gz MXVQTASVVUDLNY-RTBURBONSA-N 1 0 401.942 2.713 20 30 HFEDRO Cc1ccc([C@H](C#N)c2ccc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)nn2)cc1 ZINC001164732017 720507060 /nfs/dbraw/zinc/50/70/60/720507060.db2.gz SIKKBTAVBPPIIY-QUCCMNQESA-N 1 0 401.518 2.835 20 30 HFEDRO CSc1nc(Cl)c(C=NO)c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164734123 720555680 /nfs/dbraw/zinc/55/56/80/720555680.db2.gz VMBYEDWCGNTCGX-UHFFFAOYSA-N 1 0 421.958 2.515 20 30 HFEDRO Cc1c(Cl)c(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1C#N ZINC001164743625 720649006 /nfs/dbraw/zinc/64/90/06/720649006.db2.gz PRQHJZXERVWYSF-CHWSQXEVSA-N 1 0 405.289 2.700 20 30 HFEDRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)cc1C#N ZINC001164750407 720858900 /nfs/dbraw/zinc/85/89/00/720858900.db2.gz PSQBMKWTRSSQSX-NLWGTHIKSA-N 1 0 411.941 2.886 20 30 HFEDRO Cc1ncc(C#N)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757473 720883228 /nfs/dbraw/zinc/88/32/28/720883228.db2.gz VCUDZDOBLSRDLW-UPVQGACJSA-N 1 0 418.545 2.807 20 30 HFEDRO N#CC1(c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2)CCOCC1 ZINC001164879482 721132851 /nfs/dbraw/zinc/13/28/51/721132851.db2.gz SQNAFUPPIUSQKP-YADHBBJMSA-N 1 0 419.529 2.528 20 30 HFEDRO N#Cc1ccc(-c2ccncc2)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880920 721137140 /nfs/dbraw/zinc/13/71/40/721137140.db2.gz XOTYTKQOAWVBAS-FGZHOGPDSA-N 1 0 412.497 2.890 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(C#N)c4)C[C@H]3C2)cn1 ZINC001164769913 721138738 /nfs/dbraw/zinc/13/87/38/721138738.db2.gz QAOCCRYURDHEFH-GOEBONIOSA-N 1 0 406.868 2.843 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)ncc4C#N)C[C@H]3C2)cn1 ZINC001164771775 721141950 /nfs/dbraw/zinc/14/19/50/721141950.db2.gz TVQDTOJGGPFQGO-GOEBONIOSA-N 1 0 406.868 2.843 20 30 HFEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(C5(C#N)CCC5)cn4)C3)O2)CC1 ZINC001164883591 721411175 /nfs/dbraw/zinc/41/11/75/721411175.db2.gz BEDWCIDMUODPKY-URXFXBBRSA-N 1 0 409.578 2.792 20 30 HFEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(C#N)c5ccccc5n4)C3)O2)CC1 ZINC001164893086 721434193 /nfs/dbraw/zinc/43/41/93/721434193.db2.gz IYMHOTLSOJLMOW-YKSBVNFPSA-N 1 0 405.546 2.872 20 30 HFEDRO Cc1nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(Cl)cc1C#N ZINC001164885335 721451206 /nfs/dbraw/zinc/45/12/06/721451206.db2.gz DFBVQJOPKLEWRE-GHTZIAJQSA-N 1 0 403.958 2.681 20 30 HFEDRO N#Cc1cc2c(nc1N1CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C1)CCCC2 ZINC001164983357 722140042 /nfs/dbraw/zinc/14/00/42/722140042.db2.gz UQJWDRMQKXJHST-NZQKXSOJSA-N 1 0 403.530 2.954 20 30 HFEDRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccc(Cl)nc1C#N)CCC2 ZINC001164999622 722252118 /nfs/dbraw/zinc/25/21/18/722252118.db2.gz FKJDHSCCIJXMCX-UHFFFAOYSA-N 1 0 424.883 2.837 20 30 HFEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000793068591 1078061629 /nfs/dbraw/zinc/06/16/29/1078061629.db2.gz SQSNOTMDQXMNAM-ZDUSSCGKSA-N 1 0 407.317 2.803 20 30 HFEDRO CC(C)=CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cccc(C)c1 ZINC000790699289 1078099285 /nfs/dbraw/zinc/09/92/85/1078099285.db2.gz QTDMECCLRJFHIS-SFHVURJKSA-N 1 0 402.564 2.961 20 30 HFEDRO CSCCCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790738348 1078120281 /nfs/dbraw/zinc/12/02/81/1078120281.db2.gz RFSHSQXKDTUPCG-AWEZNQCLSA-N 1 0 414.622 2.501 20 30 HFEDRO CCCCCCC[C@@H](C)CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000793789203 1078297045 /nfs/dbraw/zinc/29/70/45/1078297045.db2.gz FGGDAYJLAQCZCC-IZCSPVGOSA-N 1 0 420.642 2.869 20 30 HFEDRO C#CCNc1nc(N(C)[C@H](C)c2ccccn2)nc(N(C)[C@H](C)c2ccccn2)n1 ZINC000804387759 1078446715 /nfs/dbraw/zinc/44/67/15/1078446715.db2.gz FLKGSJLKDRJJPT-IAGOWNOFSA-N 1 0 402.506 2.523 20 30 HFEDRO N#Cc1ccc(CCC(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC001129740962 1078711050 /nfs/dbraw/zinc/71/10/50/1078711050.db2.gz RIOBMRIHTLYXJK-UHFFFAOYSA-N 1 0 404.514 2.505 20 30 HFEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000804891313 1078749828 /nfs/dbraw/zinc/74/98/28/1078749828.db2.gz KRPRBUQTPGCDNX-UHFFFAOYSA-N 1 0 408.527 2.670 20 30 HFEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000805179371 1078964635 /nfs/dbraw/zinc/96/46/35/1078964635.db2.gz ASSXLKCFOAUGIV-RPWUZVMVSA-N 1 0 404.558 2.909 20 30 HFEDRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ncnc4cc(C#N)ccc43)cc2)CC1 ZINC001170486736 1079228029 /nfs/dbraw/zinc/22/80/29/1079228029.db2.gz OCIABOLCXMBZEL-FAEJEUNOSA-N 1 0 400.486 2.873 20 30 HFEDRO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000805765185 1079265945 /nfs/dbraw/zinc/26/59/45/1079265945.db2.gz KLBOLTGZDRRXPS-LJQANCHMSA-N 1 0 400.523 2.944 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805814752 1079287859 /nfs/dbraw/zinc/28/78/59/1079287859.db2.gz GLZQGEFRTSUUTJ-IRLDBZIGSA-N 1 0 406.530 2.796 20 30 HFEDRO COc1ccc(C[NH2+]C[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1C#N ZINC000788530364 1077204468 /nfs/dbraw/zinc/20/44/68/1077204468.db2.gz YSNUXAPHJKTWPH-HXUWFJFHSA-N 1 0 411.477 2.513 20 30 HFEDRO C#CCn1ccc(CN(CC)C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)n1 ZINC000788851409 1077319950 /nfs/dbraw/zinc/31/99/50/1077319950.db2.gz WJAHWKACHCZRKM-OAQYLSRUSA-N 1 0 409.534 2.894 20 30 HFEDRO C#CCn1ccc(CN(CC)C(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)n1 ZINC000788923278 1077337101 /nfs/dbraw/zinc/33/71/01/1077337101.db2.gz OEIWEGPQVUCWNI-UHFFFAOYSA-N 1 0 423.561 2.969 20 30 HFEDRO C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746806111 1077556231 /nfs/dbraw/zinc/55/62/31/1077556231.db2.gz AWDPPVKFQCJEKA-HXUWFJFHSA-N 1 0 423.488 2.899 20 30 HFEDRO C#CCNC(=S)C(C(=O)c1cccc(S(C)(=O)=O)c1)[n+]1ccc(CCC)cc1 ZINC000789406742 1077562949 /nfs/dbraw/zinc/56/29/49/1077562949.db2.gz ZWGOCKYMVFSILN-UHFFFAOYSA-O 1 0 415.560 2.764 20 30 HFEDRO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000792214903 1077767721 /nfs/dbraw/zinc/76/77/21/1077767721.db2.gz ANQZDFPVUILSNO-KRWDZBQOSA-N 1 0 404.486 2.550 20 30 HFEDRO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000789739242 1077772973 /nfs/dbraw/zinc/77/29/73/1077772973.db2.gz JSDWKBRMBKYGNN-NQIIRXRSSA-N 1 0 405.506 2.538 20 30 HFEDRO COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1NCc1ccc(C#N)s1 ZINC001170198933 1077912693 /nfs/dbraw/zinc/91/26/93/1077912693.db2.gz DMLGEUPBXRFGFU-AWEZNQCLSA-N 1 0 402.520 2.732 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cccc(Cl)c1 ZINC000792747375 1077983224 /nfs/dbraw/zinc/98/32/24/1077983224.db2.gz JSEAWTSNTJSXRI-IAGOWNOFSA-N 1 0 420.966 2.751 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccccc1F ZINC000792748314 1077983883 /nfs/dbraw/zinc/98/38/83/1077983883.db2.gz CJFRENXGMSKGOI-CRAIPNDOSA-N 1 0 418.538 2.627 20 30 HFEDRO CC[NH+](CC)CCN1C(=O)C(=N[N-]c2[nH+]ccn2C)c2cc(Br)ccc21 ZINC000790302556 1077999489 /nfs/dbraw/zinc/99/94/89/1077999489.db2.gz UXNUAYNHPBVNIC-UHFFFAOYSA-N 1 0 419.327 2.687 20 30 HFEDRO N#Cc1ccc(CN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC(F)(F)F)cc1 ZINC000790372662 1078017226 /nfs/dbraw/zinc/01/72/26/1078017226.db2.gz ZXJNPNUVXJVPCP-LJQANCHMSA-N 1 0 408.424 2.797 20 30 HFEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(C)Cc2cnn(C)c2C)c1=S ZINC000790419862 1078022267 /nfs/dbraw/zinc/02/22/67/1078022267.db2.gz CMVVGVNOLHIAQV-UHFFFAOYSA-N 1 0 403.600 2.760 20 30 HFEDRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 ZINC000806400237 1079687466 /nfs/dbraw/zinc/68/74/66/1079687466.db2.gz FIQVNEUKLCJXMD-QGZVFWFLSA-N 1 0 404.511 2.569 20 30 HFEDRO C[NH+]1CCN(CCCOc2ccc(NC(=O)c3ccc(C#N)c(Cl)n3)cc2)CC1 ZINC001130742468 1080006732 /nfs/dbraw/zinc/00/67/32/1080006732.db2.gz YRKAHTFYLRYCEO-UHFFFAOYSA-N 1 0 413.909 2.875 20 30 HFEDRO CCOC(=O)C1C[NH2+]CCC1=Nc1ncc2c(c1C#N)N(Cc1ccccc1)CC2 ZINC001170514071 1080100157 /nfs/dbraw/zinc/10/01/57/1080100157.db2.gz PIBZCLFAKAKVTQ-UHFFFAOYSA-N 1 0 403.486 2.738 20 30 HFEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000807113159 1080291483 /nfs/dbraw/zinc/29/14/83/1080291483.db2.gz ACQMENYYRISSEC-IRXDYDNUSA-N 1 0 422.504 2.586 20 30 HFEDRO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)c2)s1 ZINC000807248181 1080403951 /nfs/dbraw/zinc/40/39/51/1080403951.db2.gz MBQNLCYWTCTCPX-GOSISDBHSA-N 1 0 408.527 2.600 20 30 HFEDRO CN(C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000807247794 1080404680 /nfs/dbraw/zinc/40/46/80/1080404680.db2.gz FQTNCWKBRKYETA-GOSISDBHSA-N 1 0 408.527 2.598 20 30 HFEDRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807248990 1080405212 /nfs/dbraw/zinc/40/52/12/1080405212.db2.gz IANZKCFMDPDFBN-UHFFFAOYSA-N 1 0 410.543 2.846 20 30 HFEDRO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]([NH2+][C@H](C)CC)c1ccco1 ZINC000807310435 1080503543 /nfs/dbraw/zinc/50/35/43/1080503543.db2.gz IOJHTKKBRWAZDT-RHSMWYFYSA-N 1 0 401.438 2.615 20 30 HFEDRO N#CCOc1cccc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000807354730 1080516764 /nfs/dbraw/zinc/51/67/64/1080516764.db2.gz HXVFIMLRCLICTL-DEOSSOPVSA-N 1 0 418.497 2.652 20 30 HFEDRO C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000807338036 1080539292 /nfs/dbraw/zinc/53/92/92/1080539292.db2.gz BAXPJGMMVGGBSB-WIYYLYMNSA-N 1 0 405.498 2.761 20 30 HFEDRO CCOC(=O)C1C[N@H+](Cc2ccccc2)CCC1=Nc1ccc(C(=O)OC)nc1C#N ZINC001170522327 1080539926 /nfs/dbraw/zinc/53/99/26/1080539926.db2.gz JEOZALCTLUNPCM-UHFFFAOYSA-N 1 0 420.469 2.875 20 30 HFEDRO C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000807404690 1080599829 /nfs/dbraw/zinc/59/98/29/1080599829.db2.gz CNUSEKZKBCCOCV-UHFFFAOYSA-N 1 0 418.541 2.818 20 30 HFEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000807466585 1080644270 /nfs/dbraw/zinc/64/42/70/1080644270.db2.gz XMYILWVVWIHWSW-ILBGXUMGSA-N 1 0 405.542 2.899 20 30 HFEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000807466588 1080644312 /nfs/dbraw/zinc/64/43/12/1080644312.db2.gz XMYILWVVWIHWSW-ZCYQVOJMSA-N 1 0 405.542 2.899 20 30 HFEDRO CC(C)Oc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(OCC#N)c2)[NH+](C)C)cc1 ZINC000807510079 1080714451 /nfs/dbraw/zinc/71/44/51/1080714451.db2.gz RMJNMIHDFDMTRW-NRFANRHFSA-N 1 0 424.501 2.734 20 30 HFEDRO C#C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)C(C)(C)C ZINC000807534515 1080748256 /nfs/dbraw/zinc/74/82/56/1080748256.db2.gz HFMYSHABYJYCKR-LJQANCHMSA-N 1 0 412.534 2.604 20 30 HFEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000807543090 1080758835 /nfs/dbraw/zinc/75/88/35/1080758835.db2.gz BCOBMXNIZRCVOJ-AOIWGVFYSA-N 1 0 406.486 2.695 20 30 HFEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CCO[C@H]4C3)c(Cl)nn2)c1 ZINC001164391356 718826307 /nfs/dbraw/zinc/82/63/07/718826307.db2.gz UQKGJKQEQZAEIL-RDJZCZTQSA-N 1 0 405.836 2.781 20 30 HFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001164619208 719119962 /nfs/dbraw/zinc/11/99/62/719119962.db2.gz CYDUMDGZPKPCHF-WCQYABFASA-N 1 0 416.831 2.841 20 30 HFEDRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1ccc2nc(Cl)c(C#N)c(Cl)c2c1 ZINC001164630289 719138812 /nfs/dbraw/zinc/13/88/12/719138812.db2.gz INFWHYNZDFQJKH-CYBMUJFWSA-N 1 0 415.227 2.909 20 30 HFEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(OC)cc(C#N)n1)CC2 ZINC001164714306 720121995 /nfs/dbraw/zinc/12/19/95/720121995.db2.gz BTGVJYJZLFZRGV-HXUWFJFHSA-N 1 0 407.518 2.864 20 30 HFEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(C3(C#N)CCOCC3)cn1)C2 ZINC001164816239 720156572 /nfs/dbraw/zinc/15/65/72/720156572.db2.gz KGWLVMNJVAKHGH-XUZZJYLKSA-N 1 0 410.562 2.838 20 30 HFEDRO Cc1cc(Cl)nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C#N ZINC001164826661 720294613 /nfs/dbraw/zinc/29/46/13/720294613.db2.gz WDQKSXSLSYLFLT-MSOLQXFVSA-N 1 0 401.942 2.827 20 30 HFEDRO Cc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164746880 720742050 /nfs/dbraw/zinc/74/20/50/720742050.db2.gz YUORESNZHKTFIQ-UXHICEINSA-N 1 0 407.594 2.751 20 30 HFEDRO N#Cc1c(Cl)c2ccccc2nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746336 720753906 /nfs/dbraw/zinc/75/39/06/720753906.db2.gz XORPHNWLMPVUMU-GJZGRUSLSA-N 1 0 406.877 2.892 20 30 HFEDRO CC1(C)CCCc2cc(C#N)c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc21 ZINC001164742725 720804597 /nfs/dbraw/zinc/80/45/97/720804597.db2.gz DCZSZLRKYWAXJH-RBUKOAKNSA-N 1 0 404.518 2.699 20 30 HFEDRO N#Cc1cc2c(nc1N1CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C1)CCCC2 ZINC001164742511 720846632 /nfs/dbraw/zinc/84/66/32/720846632.db2.gz HEGWTXOJIZEJBD-MQSCRBSSSA-N 1 0 417.561 2.803 20 30 HFEDRO Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C#N)n1 ZINC001164753482 720893811 /nfs/dbraw/zinc/89/38/11/720893811.db2.gz HBLRZPDLWHEBBW-URXFXBBRSA-N 1 0 418.545 2.807 20 30 HFEDRO Cc1nc(C#N)cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753334 720904272 /nfs/dbraw/zinc/90/42/72/720904272.db2.gz GNCBMHDGMGUZOT-XUZZJYLKSA-N 1 0 418.545 2.807 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc(C#N)c4)C[C@@H]3C2)cn1 ZINC001164773266 721125214 /nfs/dbraw/zinc/12/52/14/721125214.db2.gz XQDQMMLRGYVANP-CABCVRRESA-N 1 0 406.868 2.843 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(Cl)nc1C#N)CC2 ZINC001164788739 721453837 /nfs/dbraw/zinc/45/38/37/721453837.db2.gz TZWYJGBYEGNJFN-KRWDZBQOSA-N 1 0 419.957 2.736 20 30 HFEDRO N#Cc1c[nH]c2nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)ncc12 ZINC001164906228 721717331 /nfs/dbraw/zinc/71/73/31/721717331.db2.gz LJZTXFUHQKXBKQ-FQEVSTJZSA-N 1 0 409.444 2.962 20 30 HFEDRO COC(=O)c1cc(C#N)cnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165030165 721829413 /nfs/dbraw/zinc/82/94/13/721829413.db2.gz YDIDZNGZJIWWMQ-WMQCIHAUSA-N 1 0 405.502 2.872 20 30 HFEDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(COc2ccc(CC#N)cc2)cn1 ZINC001164935101 721881110 /nfs/dbraw/zinc/88/11/10/721881110.db2.gz VVMCIFGBVGZYRM-DHIUTWEWSA-N 1 0 405.546 2.941 20 30 HFEDRO C=CC[C@]1(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000790629502 1078067914 /nfs/dbraw/zinc/06/79/14/1078067914.db2.gz OJNGRSZUSUKTDM-WZONZLPQSA-N 1 0 420.598 2.617 20 30 HFEDRO C#C[C@H](CCC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(C)cc1 ZINC000790691911 1078098090 /nfs/dbraw/zinc/09/80/90/1078098090.db2.gz ZYOKZGUUVIPRAV-RTBURBONSA-N 1 0 414.575 2.796 20 30 HFEDRO C=C(Cl)CN1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790759153 1078112373 /nfs/dbraw/zinc/11/23/73/1078112373.db2.gz QIVXKZYJMGUXMV-CQSZACIVSA-N 1 0 414.984 2.890 20 30 HFEDRO CCCCCCC[C@H](C)CNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000793793739 1078299742 /nfs/dbraw/zinc/29/97/42/1078299742.db2.gz WQNARRRHRMDOGA-HBMCJLEFSA-N 1 0 408.631 2.584 20 30 HFEDRO C=CCOc1ccc(CC(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC001129873310 1078570059 /nfs/dbraw/zinc/57/00/59/1078570059.db2.gz YVIRDUZDQWCWNI-UHFFFAOYSA-N 1 0 421.541 2.808 20 30 HFEDRO C#C[C@H](NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Cl)cc1F ZINC000804918464 1078739789 /nfs/dbraw/zinc/73/97/89/1078739789.db2.gz OWPXVYMMKMXDBT-IBGZPJMESA-N 1 0 415.900 2.800 20 30 HFEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000804944975 1078774448 /nfs/dbraw/zinc/77/44/48/1078774448.db2.gz LUQXLDIEJUNJFU-INIZCTEOSA-N 1 0 408.477 2.655 20 30 HFEDRO CC(C)(C)OC(=O)c1cnc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1 ZINC001130341930 1079213390 /nfs/dbraw/zinc/21/33/90/1079213390.db2.gz YLHAVECALANSAZ-UHFFFAOYSA-N 1 0 421.501 2.698 20 30 HFEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3c(C(F)F)nc4cnccn43)CC2)c1 ZINC001130341881 1079213409 /nfs/dbraw/zinc/21/34/09/1079213409.db2.gz VXSCNDUGSCPWOO-UHFFFAOYSA-N 1 0 410.428 2.933 20 30 HFEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C2CC[NH+](C3CC3)CC2)nc1C ZINC000787331264 1076744020 /nfs/dbraw/zinc/74/40/20/1076744020.db2.gz GUQMQZZQSHWZCL-UHFFFAOYSA-N 1 0 404.565 2.998 20 30 HFEDRO CC[NH+](CC)CCO[C@@H]1CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000746676106 1076749562 /nfs/dbraw/zinc/74/95/62/1076749562.db2.gz SFFHSLCWOJGNDX-IAGOWNOFSA-N 1 0 400.548 2.905 20 30 HFEDRO N#CCc1c[nH]c2cccc(N(CC[NH3+])S(=O)(=O)c3cccc4cnccc43)c12 ZINC001170074877 1076872980 /nfs/dbraw/zinc/87/29/80/1076872980.db2.gz LHJAZSQCBPPKDP-UHFFFAOYSA-N 1 0 405.483 2.936 20 30 HFEDRO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000787611309 1076877545 /nfs/dbraw/zinc/87/75/45/1076877545.db2.gz VCNQWIXGKUHTRU-QGZVFWFLSA-N 1 0 402.514 2.862 20 30 HFEDRO N#Cc1ccc(F)c(CNC(=O)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000787735877 1076935728 /nfs/dbraw/zinc/93/57/28/1076935728.db2.gz IEPYKRVRFSOZPE-OAQYLSRUSA-N 1 0 408.477 2.657 20 30 HFEDRO CSc1ncc(C#N)c(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)n1 ZINC001170146828 1077269341 /nfs/dbraw/zinc/26/93/41/1077269341.db2.gz QZXIFZWYDJOSSS-UHFFFAOYSA-N 1 0 404.503 2.980 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000789165685 1077440611 /nfs/dbraw/zinc/44/06/11/1077440611.db2.gz ACXSCCNKCDTFJS-IRLDBZIGSA-N 1 0 423.561 2.585 20 30 HFEDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc2F)CC1 ZINC000791573614 1077467436 /nfs/dbraw/zinc/46/74/36/1077467436.db2.gz NLGAWEVVNUKEEY-NRFANRHFSA-N 1 0 419.504 2.838 20 30 HFEDRO C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000746812302 1077554347 /nfs/dbraw/zinc/55/43/47/1077554347.db2.gz KKZMCHVVRRJWBZ-GOSISDBHSA-N 1 0 417.868 2.849 20 30 HFEDRO C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1F ZINC000746846274 1077728499 /nfs/dbraw/zinc/72/84/99/1077728499.db2.gz CVPXYEKIGPZBSQ-JZXOWHBKSA-N 1 0 423.554 2.767 20 30 HFEDRO C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000792249399 1077764810 /nfs/dbraw/zinc/76/48/10/1077764810.db2.gz IVAOFASGUVDUTA-MRXNPFEDSA-N 1 0 403.527 2.545 20 30 HFEDRO CCN(CC)C(=O)C1CC[NH+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000746858820 1077792467 /nfs/dbraw/zinc/79/24/67/1077792467.db2.gz FYYGEHLPBQBUQR-SFHVURJKSA-N 1 0 405.502 2.804 20 30 HFEDRO C#C[C@H](CCC)NC(=O)C(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC000792450208 1077854084 /nfs/dbraw/zinc/85/40/84/1077854084.db2.gz OOFMJFMMAPGZLE-MRXNPFEDSA-N 1 0 404.942 2.729 20 30 HFEDRO CCOC(=O)c1ccc(OC(=O)CCCCCNC(=[NH2+])Nc2ccnc(C#N)c2)cc1 ZINC001170268752 1077923260 /nfs/dbraw/zinc/92/32/60/1077923260.db2.gz ZJEVCQGPSKQQMB-UHFFFAOYSA-N 1 0 423.473 2.654 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000790104614 1077950095 /nfs/dbraw/zinc/95/00/95/1077950095.db2.gz GORDPOFKBOXHSU-UHFFFAOYSA-N 1 0 408.546 2.794 20 30 HFEDRO CNC(=O)CO[C@H]1COC2(C1)CC[NH+](C1CCC(C#N)(c3ccccc3)CC1)CC2 ZINC001170384620 1077956544 /nfs/dbraw/zinc/95/65/44/1077956544.db2.gz ZLDPISKEQCWEQJ-WQMHRJNTSA-N 1 0 411.546 2.777 20 30 HFEDRO C=CC[C@@]1(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790231166 1077981443 /nfs/dbraw/zinc/98/14/43/1077981443.db2.gz OQGXZBIZJPGUHM-QHCPKHFHSA-N 1 0 420.598 2.572 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1c(C)cccc1C ZINC000792741909 1077981884 /nfs/dbraw/zinc/98/18/84/1077981884.db2.gz FBQCWOONURTLKP-ROUUACIJSA-N 1 0 414.575 2.715 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(Cl)cc1 ZINC000792746386 1077983060 /nfs/dbraw/zinc/98/30/60/1077983060.db2.gz GESDNZGEDWCYAL-SJORKVTESA-N 1 0 420.966 2.751 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)S/C1=N\[C@@H](C)c1cccs1 ZINC000792748219 1077984167 /nfs/dbraw/zinc/98/41/67/1077984167.db2.gz UYVFSYVWUIKMTB-IGBROQSWSA-N 1 0 420.604 2.589 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1CC ZINC000792749216 1077984432 /nfs/dbraw/zinc/98/44/32/1077984432.db2.gz NXPWVCWUVISVNA-MJGOQNOKSA-N 1 0 414.575 2.660 20 30 HFEDRO C=CCCCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1C#N ZINC000790283576 1077984416 /nfs/dbraw/zinc/98/44/16/1077984416.db2.gz VUGKJUNGPCCQET-GOSISDBHSA-N 1 0 413.547 2.524 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(C)c(F)c1 ZINC000792751398 1077985145 /nfs/dbraw/zinc/98/51/45/1077985145.db2.gz ZYQREZGYXQRHPD-FUHWJXTLSA-N 1 0 418.538 2.545 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(C)c(F)c1 ZINC000792751397 1077985190 /nfs/dbraw/zinc/98/51/90/1077985190.db2.gz ZYQREZGYXQRHPD-AEFFLSMTSA-N 1 0 418.538 2.545 20 30 HFEDRO CC[NH+]1CCN(c2ccc(CNC(=O)C#Cc3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000790332999 1078005675 /nfs/dbraw/zinc/00/56/75/1078005675.db2.gz HYBXMRGMTQVEHA-UHFFFAOYSA-N 1 0 416.447 2.910 20 30 HFEDRO Cc1nc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nn1-c1ccccc1 ZINC001130563646 1079517267 /nfs/dbraw/zinc/51/72/67/1079517267.db2.gz WWZPXXKVBDAZSP-UHFFFAOYSA-N 1 0 400.486 2.842 20 30 HFEDRO CN1c2ccccc2[C@@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1=O ZINC001130563702 1079517867 /nfs/dbraw/zinc/51/78/67/1079517867.db2.gz ZMHKITSFQLWYAU-NRFANRHFSA-N 1 0 402.498 2.789 20 30 HFEDRO CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1cn(C)cn1 ZINC001130628380 1079663716 /nfs/dbraw/zinc/66/37/16/1079663716.db2.gz OHPBPOPWHFJVLP-QZEKEZNHSA-N 1 0 400.567 2.698 20 30 HFEDRO COCC[N@@H+]1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C(C)(C)C1 ZINC001130635503 1079724634 /nfs/dbraw/zinc/72/46/34/1079724634.db2.gz CRIQQQPSWASDJS-QGZVFWFLSA-N 1 0 410.559 2.533 20 30 HFEDRO C#CCCCNC(=O)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000806910969 1080116544 /nfs/dbraw/zinc/11/65/44/1080116544.db2.gz STYRJCUVFJVNDX-UHFFFAOYSA-N 1 0 410.345 2.947 20 30 HFEDRO C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@H](c1ccccc1)[NH+](C)C ZINC000807110113 1080288988 /nfs/dbraw/zinc/28/89/88/1080288988.db2.gz PZLVGAAUFKCCFW-JCHJZTRSSA-N 1 0 415.538 2.736 20 30 HFEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000807246456 1080403499 /nfs/dbraw/zinc/40/34/99/1080403499.db2.gz PRLMUMBPHMCHMG-SFHVURJKSA-N 1 0 424.570 2.997 20 30 HFEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000807249300 1080409530 /nfs/dbraw/zinc/40/95/30/1080409530.db2.gz PHSLFJWPLGHBIU-ICSRJNTNSA-N 1 0 422.554 2.846 20 30 HFEDRO C#CCOc1cccc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000807354651 1080517107 /nfs/dbraw/zinc/51/71/07/1080517107.db2.gz FBQOHYMFCSTSJJ-VWLOTQADSA-N 1 0 417.509 2.762 20 30 HFEDRO C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000807336748 1080536978 /nfs/dbraw/zinc/53/69/78/1080536978.db2.gz KFHDIWFMIDWPOZ-HXUWFJFHSA-N 1 0 407.514 2.625 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)n1 ZINC000807407256 1080600909 /nfs/dbraw/zinc/60/09/09/1080600909.db2.gz MIAIHUGJUWDBKT-KNQAVFIVSA-N 1 0 411.550 2.674 20 30 HFEDRO C#CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc1 ZINC000807509274 1080712559 /nfs/dbraw/zinc/71/25/59/1080712559.db2.gz GJIJCBDVJKHBPH-JOCHJYFZSA-N 1 0 423.513 2.843 20 30 HFEDRO C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000807543739 1080760462 /nfs/dbraw/zinc/76/04/62/1080760462.db2.gz KZTVZXSGQQCFNM-QFBILLFUSA-N 1 0 409.461 2.555 20 30 HFEDRO C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000807543737 1080760519 /nfs/dbraw/zinc/76/05/19/1080760519.db2.gz KZTVZXSGQQCFNM-LPHOPBHVSA-N 1 0 409.461 2.555 20 30 HFEDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2cc(C#N)ccc2F)[C@H]1c1cccs1 ZINC000807582973 1080795307 /nfs/dbraw/zinc/79/53/07/1080795307.db2.gz XIFXSGBPXWWKOV-KXBFYZLASA-N 1 0 414.506 2.574 20 30 HFEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc3c(cc2C#N)CCCC3)CC1 ZINC001164821726 720338001 /nfs/dbraw/zinc/33/80/01/720338001.db2.gz BONGWWXZUQPTHA-FCHUYYIVSA-N 1 0 407.562 2.744 20 30 HFEDRO CSc1nc(Cl)c(C#N)c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164733036 720549895 /nfs/dbraw/zinc/54/98/95/720549895.db2.gz INMABDRMEYLPII-UHFFFAOYSA-N 1 0 403.943 2.579 20 30 HFEDRO C=CCNC(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164840740 720603269 /nfs/dbraw/zinc/60/32/69/720603269.db2.gz QMKWJGOVNHQLMQ-SVFBPWRDSA-N 1 0 408.550 2.572 20 30 HFEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4c(cc3C#N)COCC4)CC[C@@H]21 ZINC001164837759 720630062 /nfs/dbraw/zinc/63/00/62/720630062.db2.gz JHHYXLXFVIRILT-CBQOVEMMSA-N 1 0 406.534 2.600 20 30 HFEDRO N#Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc2ccc(Cl)cc12 ZINC001164750494 720800158 /nfs/dbraw/zinc/80/01/58/720800158.db2.gz VVUAQQKUMXFGFF-DLBZAZTESA-N 1 0 406.877 2.892 20 30 HFEDRO CC1(C)CCCc2cc(C#N)c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc21 ZINC001164742723 720804347 /nfs/dbraw/zinc/80/43/47/720804347.db2.gz DCZSZLRKYWAXJH-OALUTQOASA-N 1 0 404.518 2.699 20 30 HFEDRO N#CC1(c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2)CCC1 ZINC001164745126 720828259 /nfs/dbraw/zinc/82/82/59/720828259.db2.gz WMBJYNGOPROJDP-BAGYTPMASA-N 1 0 417.561 2.998 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4c(C#N)cnc5cnc(Cl)cc54)C[C@@H]3C2)cn1 ZINC001164774300 721087203 /nfs/dbraw/zinc/08/72/03/721087203.db2.gz ZRRFTWLIOMGMSK-RDJZCZTQSA-N 1 0 407.909 2.847 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(C#N)ccc4NC(=O)C(C)(C)C)C[C@H]3C2)cn1 ZINC001164773347 721173499 /nfs/dbraw/zinc/17/34/99/721173499.db2.gz WMOQAHAFDYKDNW-QZTJIDSGSA-N 1 0 421.549 2.630 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(C#N)c5cc([N+](=O)[O-])ccc5n4)C[C@H]3C2)cn1 ZINC001164761026 721236591 /nfs/dbraw/zinc/23/65/91/721236591.db2.gz HATIGMGRQSEYFM-FUHWJXTLSA-N 1 0 417.473 2.706 20 30 HFEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc5c(cc4C#N)CCCC5)C3)O2)CC1 ZINC001164893049 721434226 /nfs/dbraw/zinc/43/42/26/721434226.db2.gz IVBCXMSJIQHOSI-QPPBQGQZSA-N 1 0 409.578 2.597 20 30 HFEDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc4c(cc2C#N)CCCC4(C)C)CC3)CC1 ZINC001164795645 721522137 /nfs/dbraw/zinc/52/21/37/721522137.db2.gz PZZSUFMTQLHROY-UHFFFAOYSA-N 1 0 419.577 2.531 20 30 HFEDRO CCOC(=O)c1cc(C)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C#N ZINC001164900190 721523540 /nfs/dbraw/zinc/52/35/40/721523540.db2.gz PATMDNUVCBZZLP-MJGOQNOKSA-N 1 0 424.476 2.919 20 30 HFEDRO CSc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)c1C#N ZINC001164927397 721870016 /nfs/dbraw/zinc/87/00/16/721870016.db2.gz UUZIDXCTAHIGGZ-MOPGFXCFSA-N 1 0 408.575 2.952 20 30 HFEDRO C#C[C@H](CCC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(C)cc1 ZINC000790691905 1078098101 /nfs/dbraw/zinc/09/81/01/1078098101.db2.gz ZYOKZGUUVIPRAV-MOPGFXCFSA-N 1 0 414.575 2.796 20 30 HFEDRO C#C[C@@H](CCC)N1C(=O)[C@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccccc1 ZINC000790699910 1078099670 /nfs/dbraw/zinc/09/96/70/1078099670.db2.gz SUECSVCZUCYEHF-OALUTQOASA-N 1 0 414.575 2.878 20 30 HFEDRO N#Cc1ccc(O[C@H]2CCN(C(=S)NC3CC[NH+](Cc4ccccc4)CC3)C2)nc1 ZINC000793266490 1078113945 /nfs/dbraw/zinc/11/39/45/1078113945.db2.gz OSHLSFPPACYQHB-NRFANRHFSA-N 1 0 421.570 2.945 20 30 HFEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000793443980 1078173037 /nfs/dbraw/zinc/17/30/37/1078173037.db2.gz JOPRWUUCCMMCKV-SFTDATJTSA-N 1 0 422.529 2.735 20 30 HFEDRO Cc1ncc(S(=O)(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)cc1C#N ZINC000794018770 1078361826 /nfs/dbraw/zinc/36/18/26/1078361826.db2.gz HOTQQJQDCVRBGC-UHFFFAOYSA-N 1 0 413.547 2.841 20 30 HFEDRO N#CCOc1ccccc1C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446697 1078513162 /nfs/dbraw/zinc/51/31/62/1078513162.db2.gz ASDOAPORUBVDCR-OAQYLSRUSA-N 1 0 404.514 2.621 20 30 HFEDRO N#CCOc1ccccc1C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446696 1078513223 /nfs/dbraw/zinc/51/32/23/1078513223.db2.gz ASDOAPORUBVDCR-NRFANRHFSA-N 1 0 404.514 2.621 20 30 HFEDRO CCC1([NH+]2CCCC2)CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 ZINC001170468842 1078676596 /nfs/dbraw/zinc/67/65/96/1078676596.db2.gz TWNLTXPKJZJHPQ-UHFFFAOYSA-N 1 0 407.511 2.604 20 30 HFEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000804891283 1078749844 /nfs/dbraw/zinc/74/98/44/1078749844.db2.gz JOKSOLFNPHYFRZ-MRXNPFEDSA-N 1 0 409.452 2.788 20 30 HFEDRO C#CCCCS(=O)(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000804986135 1078823070 /nfs/dbraw/zinc/82/30/70/1078823070.db2.gz LWPPKGLQEBNKHN-UHFFFAOYSA-N 1 0 412.559 2.601 20 30 HFEDRO C=C(Br)CNC(=O)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000805646955 1079200268 /nfs/dbraw/zinc/20/02/68/1079200268.db2.gz IJDOEHKLCNQIMB-OAHLLOKOSA-N 1 0 408.340 2.791 20 30 HFEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Cc3n[nH]c(=O)c4ccccc34)CC2)c1 ZINC001130341347 1079212704 /nfs/dbraw/zinc/21/27/04/1079212704.db2.gz HYRSOXSEJQGVML-UHFFFAOYSA-N 1 0 401.470 2.530 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805805795 1079281777 /nfs/dbraw/zinc/28/17/77/1079281777.db2.gz FFRSUBIEROAAGZ-XUZZJYLKSA-N 1 0 406.530 2.843 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)c1ccncc1 ZINC000805807253 1079282659 /nfs/dbraw/zinc/28/26/59/1079282659.db2.gz CZVGTIFFOMRGRS-QFIPXVFZSA-N 1 0 406.530 2.858 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccncc1 ZINC000805808268 1079283761 /nfs/dbraw/zinc/28/37/61/1079283761.db2.gz DIMHCORPOZCZDB-RTBURBONSA-N 1 0 400.910 2.888 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805814123 1079288274 /nfs/dbraw/zinc/28/82/74/1079288274.db2.gz PTEZEUCVIQUSOU-COPCDDAFSA-N 1 0 406.530 2.842 20 30 HFEDRO C#C[C@H](NC(=O)NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(Cl)cc1F ZINC000805242430 1079351064 /nfs/dbraw/zinc/35/10/64/1079351064.db2.gz MSLDZVGJAUPEDD-SFHVURJKSA-N 1 0 404.873 2.988 20 30 HFEDRO C[C@H](NC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000787350308 1076791670 /nfs/dbraw/zinc/79/16/70/1076791670.db2.gz QSMIWJBKPLNLDQ-UUOWRZLLSA-N 1 0 404.514 2.764 20 30 HFEDRO COc1ccc(CNC(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1C#N ZINC000746715063 1077002037 /nfs/dbraw/zinc/00/20/37/1077002037.db2.gz WMISORMRSABCGA-UHFFFAOYSA-N 1 0 421.545 2.887 20 30 HFEDRO COc1ccc(CNC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC000746712110 1077003844 /nfs/dbraw/zinc/00/38/44/1077003844.db2.gz DIRUKWZBJAVXEL-UHFFFAOYSA-N 1 0 421.545 2.574 20 30 HFEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)c1C#N ZINC000787990712 1077020212 /nfs/dbraw/zinc/02/02/12/1077020212.db2.gz GEGZMSJATMLFIJ-UHFFFAOYSA-N 1 0 412.494 2.710 20 30 HFEDRO O=C1CCC2=C(CCCC2=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)N1 ZINC000788015671 1077029271 /nfs/dbraw/zinc/02/92/71/1077029271.db2.gz XNYFYLVJZCBBJX-UHFFFAOYSA-N 1 0 411.575 2.819 20 30 HFEDRO C#CC[C@@]1(C(=O)NC2CC[NH+](CCOC(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000788305651 1077093073 /nfs/dbraw/zinc/09/30/73/1077093073.db2.gz OHJOFVDMRFZOOV-QHCPKHFHSA-N 1 0 421.582 2.785 20 30 HFEDRO CC(C)(C)OC(=O)NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000788273770 1077094989 /nfs/dbraw/zinc/09/49/89/1077094989.db2.gz BKPASSWIDJKZOI-VQTJNVASSA-N 1 0 414.550 2.864 20 30 HFEDRO C#CCNC(=O)C[N@H+]1CCCC[C@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000788275538 1077095387 /nfs/dbraw/zinc/09/53/87/1077095387.db2.gz NLWOVYORNWFICO-SFTDATJTSA-N 1 0 413.562 2.974 20 30 HFEDRO CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC1CCC[C@@H]([NH+](C)C)C1 ZINC000788408743 1077153285 /nfs/dbraw/zinc/15/32/85/1077153285.db2.gz OOHIUDHIABUMCM-OAHLLOKOSA-N 1 0 411.528 2.897 20 30 HFEDRO C=CCCCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000790974174 1077268206 /nfs/dbraw/zinc/26/82/06/1077268206.db2.gz VHADTWXTISXRND-UHFFFAOYSA-N 1 0 400.523 2.912 20 30 HFEDRO C#CC[NH+]1CCC(C(=O)N(CCC(=O)OC)Cc2cccc(Br)c2)CC1 ZINC000791047341 1077282573 /nfs/dbraw/zinc/28/25/73/1077282573.db2.gz DDNJVWJIJXPYIT-UHFFFAOYSA-N 1 0 421.335 2.686 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)n1 ZINC000788849336 1077319024 /nfs/dbraw/zinc/31/90/24/1077319024.db2.gz PDMOCEXDZNTMHD-UHFFFAOYSA-N 1 0 415.582 2.863 20 30 HFEDRO C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000791176489 1077328722 /nfs/dbraw/zinc/32/87/22/1077328722.db2.gz OSBBQWFOVVMQAX-UHFFFAOYSA-N 1 0 422.451 2.727 20 30 HFEDRO Cc1cnc2c(N(CC[NH3+])c3nccc(C#N)c3[N+](=O)[O-])nc3ccc(C)cc3n12 ZINC001170150868 1077332762 /nfs/dbraw/zinc/33/27/62/1077332762.db2.gz MXXHPUSRNJRUBH-UHFFFAOYSA-N 1 0 402.418 2.771 20 30 HFEDRO COc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1C#N ZINC000746768694 1077335512 /nfs/dbraw/zinc/33/55/12/1077335512.db2.gz RKDBVKQOXWOZLO-UHFFFAOYSA-N 1 0 408.502 2.523 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000789062718 1077395036 /nfs/dbraw/zinc/39/50/36/1077395036.db2.gz PSNXWPFPWYNXCQ-UNMCSNQZSA-N 1 0 423.561 2.727 20 30 HFEDRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)CC1 ZINC000792209883 1077765076 /nfs/dbraw/zinc/76/50/76/1077765076.db2.gz XHJPZQSWLTTXPT-NRFANRHFSA-N 1 0 411.546 2.829 20 30 HFEDRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)cc2)CC1 ZINC000789749075 1077781029 /nfs/dbraw/zinc/78/10/29/1077781029.db2.gz JXUUGLALAUDEDY-UHFFFAOYSA-N 1 0 422.533 2.834 20 30 HFEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000792380536 1077845414 /nfs/dbraw/zinc/84/54/14/1077845414.db2.gz JYYLUWKRXMKSOI-UHFFFAOYSA-N 1 0 406.530 2.982 20 30 HFEDRO COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1NCc1ccc(C#N)s1 ZINC001170198934 1077912718 /nfs/dbraw/zinc/91/27/18/1077912718.db2.gz DMLGEUPBXRFGFU-CQSZACIVSA-N 1 0 402.520 2.732 20 30 HFEDRO C=CC[C@@]1(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCCN1C(=O)OC(C)(C)C ZINC000790219880 1077972917 /nfs/dbraw/zinc/97/29/17/1077972917.db2.gz NLGNEEKVKMFHCZ-GCJKJVERSA-N 1 0 409.571 2.805 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccccc1C ZINC000792748923 1077984659 /nfs/dbraw/zinc/98/46/59/1077984659.db2.gz GTUJVXBMFYWCFO-PKOBYXMFSA-N 1 0 414.575 2.796 20 30 HFEDRO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)c2)s1 ZINC000790275516 1077993873 /nfs/dbraw/zinc/99/38/73/1077993873.db2.gz ZLJPWWQOLTUHIG-OALUTQOASA-N 1 0 408.527 2.646 20 30 HFEDRO C=CC[NH+]1CCC(NC(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000792987515 1078041458 /nfs/dbraw/zinc/04/14/58/1078041458.db2.gz CBTRDEZKSSCKRW-QFIPXVFZSA-N 1 0 400.523 2.737 20 30 HFEDRO C#CCN(Cc1ccccc1)C(=O)NCc1ccccc1OCCN1CCOCC1 ZINC000806620112 1079859691 /nfs/dbraw/zinc/85/96/91/1079859691.db2.gz OVASJPLDZODPDY-UHFFFAOYSA-N 1 0 407.514 2.743 20 30 HFEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000806931772 1080097862 /nfs/dbraw/zinc/09/78/62/1080097862.db2.gz QMXSOAKQWABQTM-OAQYLSRUSA-N 1 0 412.578 2.547 20 30 HFEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000806931771 1080097911 /nfs/dbraw/zinc/09/79/11/1080097911.db2.gz QMXSOAKQWABQTM-NRFANRHFSA-N 1 0 412.578 2.547 20 30 HFEDRO CCOC(=O)C1=C(Nc2nccc(C#C[Si](C)(C)C)c2C(OC)OC)CC[NH2+]C1 ZINC001170514096 1080101377 /nfs/dbraw/zinc/10/13/77/1080101377.db2.gz QTORCCGXZAZPPX-UHFFFAOYSA-N 1 0 417.582 2.824 20 30 HFEDRO C#CCCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000806916891 1080121079 /nfs/dbraw/zinc/12/10/79/1080121079.db2.gz DABLSTWVLSNDTJ-FUHWJXTLSA-N 1 0 409.452 2.734 20 30 HFEDRO C[NH+]1CCC2(CCCN(C(=O)C(=O)Nc3ccc(C#N)c(Br)c3)C2)CC1 ZINC000807074359 1080257096 /nfs/dbraw/zinc/25/70/96/1080257096.db2.gz MVDDPHBVGBLBHV-UHFFFAOYSA-N 1 0 419.323 2.594 20 30 HFEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000807249699 1080408845 /nfs/dbraw/zinc/40/88/45/1080408845.db2.gz DFAIFEJZPYAJDF-GOSISDBHSA-N 1 0 410.543 2.846 20 30 HFEDRO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H]([NH2+][C@H](C)CC)c1ccco1 ZINC000807310434 1080503620 /nfs/dbraw/zinc/50/36/20/1080503620.db2.gz IOJHTKKBRWAZDT-PBHICJAKSA-N 1 0 401.438 2.615 20 30 HFEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000807465241 1080642345 /nfs/dbraw/zinc/64/23/45/1080642345.db2.gz GWAHEPQWCVFLEU-WXFUMESZSA-N 1 0 405.542 2.803 20 30 HFEDRO C=CCNC(=O)c1cccnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164697079 719898040 /nfs/dbraw/zinc/89/80/40/719898040.db2.gz JKLFHQKJHZAJNW-UHFFFAOYSA-N 1 0 412.559 2.930 20 30 HFEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3[nH]cc(C#N)c31)CC2 ZINC001164709965 720094008 /nfs/dbraw/zinc/09/40/08/720094008.db2.gz DOGRDRWKEUGXFY-IBGZPJMESA-N 1 0 417.517 2.732 20 30 HFEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1C#N)CC2 ZINC001164709724 720104849 /nfs/dbraw/zinc/10/48/49/720104849.db2.gz CNZUIYZMJQPGRH-SFHVURJKSA-N 1 0 412.925 2.904 20 30 HFEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)c(F)cc2C#N)CC1 ZINC001164820244 720290005 /nfs/dbraw/zinc/29/00/05/720290005.db2.gz VGBWYESHSWZLHY-DLBZAZTESA-N 1 0 405.905 2.657 20 30 HFEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746347 720625107 /nfs/dbraw/zinc/62/51/07/720625107.db2.gz XYCVIVZTELVWSN-PMACEKPBSA-N 1 0 416.460 2.891 20 30 HFEDRO N#CCc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164749661 720854919 /nfs/dbraw/zinc/85/49/19/720854919.db2.gz NZQKDRYDJYBDML-QWFCFKBJSA-N 1 0 411.941 2.772 20 30 HFEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C#N)c4cc(Cl)ccc4n3)CC[C@H]2C1 ZINC001164860799 720886676 /nfs/dbraw/zinc/88/66/76/720886676.db2.gz PEAHJJLXKICGDY-MGPUTAFESA-N 1 0 400.910 2.933 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccnc(Cl)c4C#N)C[C@@H]3C2)cn1 ZINC001164765892 721084250 /nfs/dbraw/zinc/08/42/50/721084250.db2.gz KDTYEXZREUJICB-CABCVRRESA-N 1 0 406.868 2.843 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(C#N)c5cc([N+](=O)[O-])ccc5n4)C[C@@H]3C2)cn1 ZINC001164761031 721236434 /nfs/dbraw/zinc/23/64/34/721236434.db2.gz HATIGMGRQSEYFM-WMZOPIPTSA-N 1 0 417.473 2.706 20 30 HFEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)c(F)cc4C#N)C3)O2)CC1 ZINC001164890944 721382041 /nfs/dbraw/zinc/38/20/41/721382041.db2.gz PMWPKTNMOZYTIS-JXFKEZNVSA-N 1 0 407.921 2.511 20 30 HFEDRO Cc1nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(C#N)c(C)c1Cl ZINC001164884358 721385282 /nfs/dbraw/zinc/38/52/82/721385282.db2.gz AKRGWHJCWXSGMI-AVRDEDQJSA-N 1 0 417.985 2.989 20 30 HFEDRO Cc1nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c(C#N)c(C)c1Cl ZINC001165000497 722250857 /nfs/dbraw/zinc/25/08/57/722250857.db2.gz QKZKWSJLWBPCFO-UHFFFAOYSA-N 1 0 402.930 2.909 20 30 HFEDRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)cc(Cl)c1C#N)CCC2 ZINC001165004680 722257680 /nfs/dbraw/zinc/25/76/80/722257680.db2.gz UQRYQJJBYPDCEG-UHFFFAOYSA-N 1 0 409.321 2.945 20 30 HFEDRO C=CC[C@@]1(C(=O)NCC2CC[NH+](CCN(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790638403 1078071552 /nfs/dbraw/zinc/07/15/52/1078071552.db2.gz ANFFATKDNFABHV-QHCPKHFHSA-N 1 0 422.614 2.722 20 30 HFEDRO C#C[C@H](CCC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(F)cc1 ZINC000790697218 1078098855 /nfs/dbraw/zinc/09/88/55/1078098855.db2.gz WBAZWSWZYBMPLO-MSOLQXFVSA-N 1 0 418.538 2.627 20 30 HFEDRO C#C[C@@H](CCC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(F)cc1 ZINC000790697224 1078098896 /nfs/dbraw/zinc/09/88/96/1078098896.db2.gz WBAZWSWZYBMPLO-ZWKOTPCHSA-N 1 0 418.538 2.627 20 30 HFEDRO C#CCCCCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790742072 1078121962 /nfs/dbraw/zinc/12/19/62/1078121962.db2.gz MABUIKRQAFTISB-MRXNPFEDSA-N 1 0 406.577 2.551 20 30 HFEDRO COCC[N@H+](C)CCCC1CCN(Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 ZINC000793511460 1078195346 /nfs/dbraw/zinc/19/53/46/1078195346.db2.gz KYZOMMGSENQNDQ-UHFFFAOYSA-N 1 0 400.567 2.627 20 30 HFEDRO CCCCCCC[C@H](C)CNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000793793737 1078299706 /nfs/dbraw/zinc/29/97/06/1078299706.db2.gz WQNARRRHRMDOGA-ACRUOGEOSA-N 1 0 408.631 2.584 20 30 HFEDRO CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C1=O ZINC000793987192 1078357267 /nfs/dbraw/zinc/35/72/67/1078357267.db2.gz QGVNLUZWJATSBB-OAQYLSRUSA-N 1 0 422.570 2.724 20 30 HFEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000804726256 1078552598 /nfs/dbraw/zinc/55/25/98/1078552598.db2.gz ILUIOUYUJPXLGH-INIZCTEOSA-N 1 0 408.340 2.795 20 30 HFEDRO C#CCNc1nc(N[C@@H](C)Cc2ccncc2)[nH+]c(N[C@@H](C)Cc2ccncc2)n1 ZINC000804534016 1078571459 /nfs/dbraw/zinc/57/14/59/1078571459.db2.gz CVCRVJSMRSGRFB-IRXDYDNUSA-N 1 0 402.506 2.793 20 30 HFEDRO COc1ccc(CNC(=O)C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1C#N ZINC000804943617 1078770562 /nfs/dbraw/zinc/77/05/62/1078770562.db2.gz LWRWTTTUPSPURY-QGZVFWFLSA-N 1 0 420.513 2.525 20 30 HFEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)CC1 ZINC000805080517 1078911337 /nfs/dbraw/zinc/91/13/37/1078911337.db2.gz KQFGAZGMCBBDQO-DZKIICNBSA-N 1 0 404.477 2.514 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000805808628 1079283727 /nfs/dbraw/zinc/28/37/27/1079283727.db2.gz HXPMQCXSOACECQ-UGKGYDQZSA-N 1 0 406.530 2.938 20 30 HFEDRO CCCN(CCC[NH+](C)C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000787402958 1076808746 /nfs/dbraw/zinc/80/87/46/1076808746.db2.gz LVPTWJITGFUCNQ-ZBJSNUHESA-N 1 0 423.583 2.695 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1ccncc1 ZINC000787623462 1076882520 /nfs/dbraw/zinc/88/25/20/1076882520.db2.gz ADZZICCMCRTQIY-NRFANRHFSA-N 1 0 406.530 2.768 20 30 HFEDRO COC(=O)c1cc2ccccc2c(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)c1O ZINC000788045629 1077040092 /nfs/dbraw/zinc/04/00/92/1077040092.db2.gz TYBYXJKZBMYOJY-UHFFFAOYSA-N 1 0 419.485 2.568 20 30 HFEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC([C@@H](O)c3ncc[nH]3)CC1)CCCC2 ZINC000788473862 1077171415 /nfs/dbraw/zinc/17/14/15/1077171415.db2.gz XCSCUAIGKDEDTI-LJQANCHMSA-N 1 0 413.547 2.996 20 30 HFEDRO COc1cc(OC)cc([C@H](O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000788521486 1077190489 /nfs/dbraw/zinc/19/04/89/1077190489.db2.gz KNYHCLZJUHCKDP-OAQYLSRUSA-N 1 0 407.474 2.699 20 30 HFEDRO Cc1cnc2c(N(CC[NH3+])c3ccc([N+](=O)[O-])c(C#N)n3)nc3ccc(C)cc3n12 ZINC001170145809 1077237087 /nfs/dbraw/zinc/23/70/87/1077237087.db2.gz GXJDBQWSNZUSGA-UHFFFAOYSA-N 1 0 402.418 2.771 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000789220814 1077448874 /nfs/dbraw/zinc/44/88/74/1077448874.db2.gz SOGMCRZBTKSHID-DEOSSOPVSA-N 1 0 423.561 2.729 20 30 HFEDRO COc1cccc(C2=NO[C@H](C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)C2)c1 ZINC000791590065 1077494128 /nfs/dbraw/zinc/49/41/28/1077494128.db2.gz JSQQHXJJHVBRGD-QFIPXVFZSA-N 1 0 406.486 2.650 20 30 HFEDRO C#CC[NH+]1CCC(C(=O)NCc2nc3cc(Br)ccc3n2CC)CC1 ZINC000791957172 1077630607 /nfs/dbraw/zinc/63/06/07/1077630607.db2.gz FRDRLWORJSJZSC-UHFFFAOYSA-N 1 0 403.324 2.780 20 30 HFEDRO C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)ccc1F ZINC000746846278 1077728605 /nfs/dbraw/zinc/72/86/05/1077728605.db2.gz CVPXYEKIGPZBSQ-NUJGCVRESA-N 1 0 423.554 2.767 20 30 HFEDRO C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)n1 ZINC000789792883 1077799837 /nfs/dbraw/zinc/79/98/37/1077799837.db2.gz CBOMLZYIDASHII-UHFFFAOYSA-N 1 0 421.545 2.532 20 30 HFEDRO CNC(=O)CN1C(=O)CC[C@]12CCC[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170384445 1077956297 /nfs/dbraw/zinc/95/62/97/1077956297.db2.gz YBOIHQHKYPIMJR-BOYUCYPVSA-N 1 0 408.546 2.594 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(Cl)cc1 ZINC000792746382 1077983048 /nfs/dbraw/zinc/98/30/48/1077983048.db2.gz GESDNZGEDWCYAL-IRXDYDNUSA-N 1 0 420.966 2.751 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(C)c(C)c1 ZINC000792751726 1077985657 /nfs/dbraw/zinc/98/56/57/1077985657.db2.gz RFMHHTBQHHUMCD-RBUKOAKNSA-N 1 0 414.575 2.715 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000792752652 1077986141 /nfs/dbraw/zinc/98/61/41/1077986141.db2.gz JXFNFLDGLAGKRP-HZPDHXFCSA-N 1 0 406.577 2.549 20 30 HFEDRO C[NH+]1CCN(c2ccc(/C=C3/CCc4c(cnn4-c4ncccn4)C3=O)cc2)CC1 ZINC000792904482 1078020010 /nfs/dbraw/zinc/02/00/10/1078020010.db2.gz GAIRBUABLLBTPH-SDXDJHTJSA-N 1 0 400.486 2.627 20 30 HFEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)c1C#N ZINC000806381281 1079630092 /nfs/dbraw/zinc/63/00/92/1079630092.db2.gz XEISZZQJASFJBE-LJQANCHMSA-N 1 0 400.870 2.609 20 30 HFEDRO C[C@H](C#N)N(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)C1CC1 ZINC001130671275 1079821002 /nfs/dbraw/zinc/82/10/02/1079821002.db2.gz DKNVQYWHZGQKTE-QGZVFWFLSA-N 1 0 400.523 2.916 20 30 HFEDRO C#CCCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000806916890 1080120194 /nfs/dbraw/zinc/12/01/94/1080120194.db2.gz DABLSTWVLSNDTJ-AEFFLSMTSA-N 1 0 409.452 2.734 20 30 HFEDRO CCOC(=O)C1=C(Nc2ccc(C(=O)N(CCC#N)c3ccccc3)cn2)CC[NH2+]C1 ZINC001170516710 1080240364 /nfs/dbraw/zinc/24/03/64/1080240364.db2.gz VKICBCPLKLTVCW-UHFFFAOYSA-N 1 0 419.485 2.864 20 30 HFEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1ccco1 ZINC000807109296 1080288523 /nfs/dbraw/zinc/28/85/23/1080288523.db2.gz FNBWNSWLUMVHJH-NXOAAHMSSA-N 1 0 419.526 2.767 20 30 HFEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000807113160 1080291613 /nfs/dbraw/zinc/29/16/13/1080291613.db2.gz ACQMENYYRISSEC-YPGOJHLTSA-N 1 0 422.504 2.586 20 30 HFEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000807249930 1080407314 /nfs/dbraw/zinc/40/73/14/1080407314.db2.gz LZBLDPKRNFGQMU-QGZVFWFLSA-N 1 0 410.543 2.703 20 30 HFEDRO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC[N@@H+]1C ZINC000807250376 1080410247 /nfs/dbraw/zinc/41/02/47/1080410247.db2.gz ZCYLIOXKPWCJLT-MAUKXSAKSA-N 1 0 410.543 2.844 20 30 HFEDRO C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]([NH2+][C@@H](C)CC)c1ccco1 ZINC000807311098 1080503961 /nfs/dbraw/zinc/50/39/61/1080503961.db2.gz YHIOEFGLVMITCG-WMLDXEAASA-N 1 0 401.438 2.615 20 30 HFEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N)c1ccco1 ZINC000807310586 1080505198 /nfs/dbraw/zinc/50/51/98/1080505198.db2.gz NLUOIBIQJYZNRT-XJKSGUPXSA-N 1 0 402.426 2.505 20 30 HFEDRO C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000807335222 1080534522 /nfs/dbraw/zinc/53/45/22/1080534522.db2.gz AARWRPZVSHGSCH-JOCHJYFZSA-N 1 0 418.541 2.518 20 30 HFEDRO C=C(CNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)c1ccccc1 ZINC000807488736 1080677526 /nfs/dbraw/zinc/67/75/26/1080677526.db2.gz FBVCTPBSCXIMBM-UHFFFAOYSA-N 1 0 406.530 2.985 20 30 HFEDRO C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000807543741 1080760312 /nfs/dbraw/zinc/76/03/12/1080760312.db2.gz KZTVZXSGQQCFNM-VQIMIIECSA-N 1 0 409.461 2.555 20 30 HFEDRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCc2cc(C#N)ccc2F)[C@H]1c1cccs1 ZINC000807582964 1080795472 /nfs/dbraw/zinc/79/54/72/1080795472.db2.gz XIFXSGBPXWWKOV-BEFAXECRSA-N 1 0 414.506 2.574 20 30 HFEDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc([C@@H](C#N)c3ccc(C)cc3)nn1)CC2 ZINC001164685184 719699260 /nfs/dbraw/zinc/69/92/60/719699260.db2.gz RWXZCWOPYJVMFE-FQEVSTJZSA-N 1 0 418.545 2.621 20 30 HFEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3c(C#N)c[nH]c3n1)CC2 ZINC001164712662 720132786 /nfs/dbraw/zinc/13/27/86/720132786.db2.gz OAKVEFDBUOZEFU-IBGZPJMESA-N 1 0 417.517 2.732 20 30 HFEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)c(F)cc1C#N)CCC2 ZINC001164815466 720209349 /nfs/dbraw/zinc/20/93/49/720209349.db2.gz ZQRHULVKODWHRM-UHFFFAOYSA-N 1 0 404.877 2.553 20 30 HFEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncc(CC#N)cc2Cl)CC1 ZINC001164827867 720347840 /nfs/dbraw/zinc/34/78/40/720347840.db2.gz MXVQTASVVUDLNY-OALUTQOASA-N 1 0 401.942 2.713 20 30 HFEDRO Cc1ccc([C@H](C#N)c2ccc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)nn2)cc1 ZINC001164732016 720507320 /nfs/dbraw/zinc/50/73/20/720507320.db2.gz SIKKBTAVBPPIIY-ICSRJNTNSA-N 1 0 401.518 2.835 20 30 HFEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc([C@H](C#N)c4ccc(C)cc4)nn3)CC[C@@H]2C1 ZINC001164854783 720836670 /nfs/dbraw/zinc/83/66/70/720836670.db2.gz SHMPPQQGLSPNJW-MQSCRBSSSA-N 1 0 421.545 2.614 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)cc4C#N)C[C@H]3C2)cn1 ZINC001164770166 721172935 /nfs/dbraw/zinc/17/29/35/721172935.db2.gz NZYVDRCEAFFQJZ-GOEBONIOSA-N 1 0 406.868 2.843 20 30 HFEDRO Cc1nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(C#N)c(C)c1Cl ZINC001164884363 721385001 /nfs/dbraw/zinc/38/50/01/721385001.db2.gz AKRGWHJCWXSGMI-PGRDOPGGSA-N 1 0 417.985 2.989 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(OC)cc(C#N)n1)CC2 ZINC001164785748 721460965 /nfs/dbraw/zinc/46/09/65/721460965.db2.gz NGCHOHUDGPVOAL-FQEVSTJZSA-N 1 0 414.550 2.696 20 30 HFEDRO CCCc1cc(C#N)c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc1Cl ZINC001164799129 721514901 /nfs/dbraw/zinc/51/49/01/721514901.db2.gz XCRQYKRGBITDDI-UHFFFAOYSA-N 1 0 413.957 2.523 20 30 HFEDRO CCOC(=O)c1cc(C)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1C#N ZINC001164900191 721523915 /nfs/dbraw/zinc/52/39/15/721523915.db2.gz PATMDNUVCBZZLP-PKOBYXMFSA-N 1 0 424.476 2.919 20 30 HFEDRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000790575811 1078067051 /nfs/dbraw/zinc/06/70/51/1078067051.db2.gz FTDCDLJQAYOEPB-UHFFFAOYSA-N 1 0 417.431 2.665 20 30 HFEDRO C#C[C@H](CCC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790728633 1078117739 /nfs/dbraw/zinc/11/77/39/1078117739.db2.gz VTPRAVUAWDRJAJ-HZPDHXFCSA-N 1 0 406.577 2.549 20 30 HFEDRO C=C(C)C[NH+]1CCC(NC(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)CC1 ZINC000793446805 1078173609 /nfs/dbraw/zinc/17/36/09/1078173609.db2.gz XJZQQRKYXLVQGL-UHFFFAOYSA-N 1 0 408.568 2.981 20 30 HFEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000793443978 1078173015 /nfs/dbraw/zinc/17/30/15/1078173015.db2.gz JOPRWUUCCMMCKV-OYRHEFFESA-N 1 0 422.529 2.735 20 30 HFEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000804418600 1078468945 /nfs/dbraw/zinc/46/89/45/1078468945.db2.gz QSOUYWJARSWWHE-SFHVURJKSA-N 1 0 410.543 2.894 20 30 HFEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000804945658 1078773680 /nfs/dbraw/zinc/77/36/80/1078773680.db2.gz MTZQSYGHOUAVKL-DEOSSOPVSA-N 1 0 404.558 2.868 20 30 HFEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C ZINC000747230383 1078947593 /nfs/dbraw/zinc/94/75/93/1078947593.db2.gz RFANTDPGSQBCQI-VQTJNVASSA-N 1 0 407.518 2.674 20 30 HFEDRO Cc1c(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cnn1-c1ccccn1 ZINC001130341410 1079213157 /nfs/dbraw/zinc/21/31/57/1079213157.db2.gz LCEQGTXVSPPRDO-UHFFFAOYSA-N 1 0 400.486 2.842 20 30 HFEDRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000787402837 1076808656 /nfs/dbraw/zinc/80/86/56/1076808656.db2.gz JNZOSXWKYBJROR-ZBJSNUHESA-N 1 0 423.583 2.695 20 30 HFEDRO C[C@H](OC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)C(=O)NC1(C#N)CCC1 ZINC000787706790 1076920164 /nfs/dbraw/zinc/92/01/64/1076920164.db2.gz SFLCJBGUMCTBTF-MGPUTAFESA-N 1 0 423.435 2.935 20 30 HFEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)NCc2ccc(OC)c(C#N)c2)CC1 ZINC000746712801 1076990938 /nfs/dbraw/zinc/99/09/38/1076990938.db2.gz MUZPADTUGAHLHP-UHFFFAOYSA-N 1 0 421.545 2.704 20 30 HFEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)NCc3ccc(OC)c(C#N)c3)cc2)CC1 ZINC000746712892 1076992114 /nfs/dbraw/zinc/99/21/14/1076992114.db2.gz OYFFPCZKPWAEIN-UHFFFAOYSA-N 1 0 421.545 2.704 20 30 HFEDRO Cc1nn(-c2cc[nH+]cc2)cc1C=Nn1c(C)c(Br)c(C)c(C#N)c1=O ZINC000788453357 1077164833 /nfs/dbraw/zinc/16/48/33/1077164833.db2.gz DJWIFVZEBWSTSQ-UHFFFAOYSA-N 1 0 411.263 2.871 20 30 HFEDRO CCOC(=O)C1([C@@H](C)[NH2+]C2CCN(CC#N)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788594643 1077216677 /nfs/dbraw/zinc/21/66/77/1077216677.db2.gz NYUAWURTUFSOCE-QGZVFWFLSA-N 1 0 422.570 2.533 20 30 HFEDRO CCOC(=O)[C@H]1[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)CCN1C(=O)OC(C)(C)C ZINC000788650929 1077225838 /nfs/dbraw/zinc/22/58/38/1077225838.db2.gz ZAHHRWNNCSTMKI-ZWKOTPCHSA-N 1 0 403.479 2.620 20 30 HFEDRO CN(C)c1cc(F)c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000791328104 1077375262 /nfs/dbraw/zinc/37/52/62/1077375262.db2.gz YTOKPZRPBTXFAX-UHFFFAOYSA-N 1 0 413.453 2.876 20 30 HFEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3cccnc3Br)CC2)cc1 ZINC000791310350 1077382543 /nfs/dbraw/zinc/38/25/43/1077382543.db2.gz YRGKHKMTNUIUMH-UHFFFAOYSA-N 1 0 413.319 2.993 20 30 HFEDRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000789377931 1077546144 /nfs/dbraw/zinc/54/61/44/1077546144.db2.gz MPOAYOQLSOTXCE-UHFFFAOYSA-N 1 0 409.534 2.686 20 30 HFEDRO C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)n1 ZINC000789793313 1077798912 /nfs/dbraw/zinc/79/89/12/1077798912.db2.gz HACYPTIVMLDKGH-SFHVURJKSA-N 1 0 421.545 2.864 20 30 HFEDRO COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)c1 ZINC000792397482 1077834399 /nfs/dbraw/zinc/83/43/99/1077834399.db2.gz LGZDBBNZEGOLLM-KRWDZBQOSA-N 1 0 424.501 2.515 20 30 HFEDRO C#C[C@H](CCC)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000792453888 1077856309 /nfs/dbraw/zinc/85/63/09/1077856309.db2.gz VNZGLUZWBCBEGF-GOSISDBHSA-N 1 0 412.534 2.748 20 30 HFEDRO CCOC(=O)c1ccc(OC(=O)CCCCCNC(=[NH2+])Nc2nccc(C#N)n2)cc1 ZINC001170270372 1077924114 /nfs/dbraw/zinc/92/41/14/1077924114.db2.gz YWPQXVBLIMSITA-UHFFFAOYSA-N 1 0 424.461 2.627 20 30 HFEDRO C=CC[NH+](CC=C)CCN1CCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170355016 1077948938 /nfs/dbraw/zinc/94/89/38/1077948938.db2.gz UQJOVLRGEZAJJP-IBGZPJMESA-N 1 0 402.539 2.826 20 30 HFEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+](C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001170366539 1077951140 /nfs/dbraw/zinc/95/11/40/1077951140.db2.gz YXHNUYXODZFJMT-HKBOAZHASA-N 1 0 415.534 2.986 20 30 HFEDRO C[C@H](CNC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C[NH+]1CCCC1 ZINC000790186452 1077966547 /nfs/dbraw/zinc/96/65/47/1077966547.db2.gz JMWLYXVXROSDCK-MRXNPFEDSA-N 1 0 410.543 2.751 20 30 HFEDRO C=CC[C@]1(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790231165 1077981406 /nfs/dbraw/zinc/98/14/06/1077981406.db2.gz OQGXZBIZJPGUHM-HSZRJFAPSA-N 1 0 420.598 2.572 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1Cl ZINC000792745074 1077982719 /nfs/dbraw/zinc/98/27/19/1077982719.db2.gz BRAVVSMOMXDIDF-RHSMWYFYSA-N 1 0 420.966 2.751 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cc(C)cc(C)c1 ZINC000792747348 1077983629 /nfs/dbraw/zinc/98/36/29/1077983629.db2.gz JQQSKPKKTBDBQE-RBUKOAKNSA-N 1 0 414.575 2.715 20 30 HFEDRO C=CCCCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cccc(C)c1 ZINC000790281441 1077984173 /nfs/dbraw/zinc/98/41/73/1077984173.db2.gz QEVLPLACDXPFQG-GOSISDBHSA-N 1 0 402.564 2.961 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(CC)cc1 ZINC000792748640 1077984702 /nfs/dbraw/zinc/98/47/02/1077984702.db2.gz OGUMOWWZTRLMFI-RBUKOAKNSA-N 1 0 414.575 2.660 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccc(F)cc1 ZINC000792749786 1077984893 /nfs/dbraw/zinc/98/48/93/1077984893.db2.gz RRAWDEGUPBTDCO-MSOLQXFVSA-N 1 0 418.538 2.627 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(C)cc1C ZINC000792751415 1077985178 /nfs/dbraw/zinc/98/51/78/1077985178.db2.gz OQWUMHOFVBJTMG-HKUYNNGSSA-N 1 0 414.575 2.715 20 30 HFEDRO C=CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cc(Cl)ccc1OC ZINC000792753862 1077986391 /nfs/dbraw/zinc/98/63/91/1077986391.db2.gz VDKAFACIBUQZRD-INIZCTEOSA-N 1 0 424.954 2.534 20 30 HFEDRO CC[NH+]1CCN(c2ccc(NC(=O)C3CCN(c4oc(C)nc4C#N)CC3)cc2)CC1 ZINC000792841260 1078012677 /nfs/dbraw/zinc/01/26/77/1078012677.db2.gz LYEBHPLFFBRMFV-UHFFFAOYSA-N 1 0 422.533 2.852 20 30 HFEDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000806503488 1079753325 /nfs/dbraw/zinc/75/33/25/1079753325.db2.gz PHLNQEHGBVKRHW-MSOLQXFVSA-N 1 0 410.543 2.892 20 30 HFEDRO C#CCCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000806916893 1080120948 /nfs/dbraw/zinc/12/09/48/1080120948.db2.gz DABLSTWVLSNDTJ-WMZOPIPTSA-N 1 0 409.452 2.734 20 30 HFEDRO C#CCCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000806916892 1080121063 /nfs/dbraw/zinc/12/10/63/1080121063.db2.gz DABLSTWVLSNDTJ-SJLPKXTDSA-N 1 0 409.452 2.734 20 30 HFEDRO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)c2)s1 ZINC000807248182 1080403991 /nfs/dbraw/zinc/40/39/91/1080403991.db2.gz MBQNLCYWTCTCPX-SFHVURJKSA-N 1 0 408.527 2.600 20 30 HFEDRO C#CC[NH+]1CCC(C(=O)NCc2cc(Cl)ccc2I)CC1 ZINC001130907875 1080500635 /nfs/dbraw/zinc/50/06/35/1080500635.db2.gz UZOYMBWEFFKUAI-UHFFFAOYSA-N 1 0 416.690 2.906 20 30 HFEDRO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]([NH2+][C@@H](C)CC)c1ccco1 ZINC000807310436 1080503493 /nfs/dbraw/zinc/50/34/93/1080503493.db2.gz IOJHTKKBRWAZDT-WMLDXEAASA-N 1 0 401.438 2.615 20 30 HFEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000807336146 1080535199 /nfs/dbraw/zinc/53/51/99/1080535199.db2.gz WWJPGPRCLXCACG-QFIPXVFZSA-N 1 0 418.541 2.518 20 30 HFEDRO C=C(CNC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000807489452 1080675747 /nfs/dbraw/zinc/67/57/47/1080675747.db2.gz RERWTCOOLMRUPQ-UHFFFAOYSA-N 1 0 406.530 2.985 20 30 HFEDRO C#C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1)C(C)(C)C ZINC000807536190 1080750807 /nfs/dbraw/zinc/75/08/07/1080750807.db2.gz LYTPZCQVECQBRK-GOSISDBHSA-N 1 0 404.942 2.585 20 30 HFEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000807543093 1080758911 /nfs/dbraw/zinc/75/89/11/1080758911.db2.gz BCOBMXNIZRCVOJ-LMMKCTJWSA-N 1 0 406.486 2.695 20 30 HFEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCN4CC[NH2+]C[C@H]4C3)cnc2Cl)cc1 ZINC001164400254 718844600 /nfs/dbraw/zinc/84/46/00/718844600.db2.gz UMQMKJBXKMLRNB-KRWDZBQOSA-N 1 0 403.864 2.912 20 30 HFEDRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)c(-c2cccc(C#N)c2)c1 ZINC001164629406 719138391 /nfs/dbraw/zinc/13/83/91/719138391.db2.gz AQVZOJLIQAANMS-MRXNPFEDSA-N 1 0 406.820 2.770 20 30 HFEDRO C[N@@H+]1CCO[C@H]2CN(c3nc(C#C[Si](C)(C)C)ccc3NC(=O)C(C)(C)C)C[C@H]21 ZINC001164674293 719417694 /nfs/dbraw/zinc/41/76/94/719417694.db2.gz WAGIRDSORFPNGA-MOPGFXCFSA-N 1 0 414.626 2.814 20 30 HFEDRO C[N@@H+]1CCO[C@@H]2CN(c3nc(C#C[Si](C)(C)C)ccc3NC(=O)C(C)(C)C)C[C@H]21 ZINC001164674297 719418083 /nfs/dbraw/zinc/41/80/83/719418083.db2.gz WAGIRDSORFPNGA-RTBURBONSA-N 1 0 414.626 2.814 20 30 HFEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(SC)nc(Cl)c1C#N)C2 ZINC001164813699 720066163 /nfs/dbraw/zinc/06/61/63/720066163.db2.gz VIUIXBCRKSUCRD-IFXJQAMLSA-N 1 0 407.971 2.908 20 30 HFEDRO Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)cc1C#N ZINC001164750411 720859287 /nfs/dbraw/zinc/85/92/87/720859287.db2.gz PSQBMKWTRSSQSX-WSTZPKSXSA-N 1 0 411.941 2.886 20 30 HFEDRO Cc1nc(C#N)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753331 720903232 /nfs/dbraw/zinc/90/32/32/720903232.db2.gz GNCBMHDGMGUZOT-URXFXBBRSA-N 1 0 418.545 2.807 20 30 HFEDRO N#CCc1cncc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164750953 720904147 /nfs/dbraw/zinc/90/41/47/720904147.db2.gz CGUOBQBHVQVUJM-XUZZJYLKSA-N 1 0 418.545 2.693 20 30 HFEDRO Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C#N)n1 ZINC001164752094 720905924 /nfs/dbraw/zinc/90/59/24/720905924.db2.gz NCYVYRHSBOIQAL-URXFXBBRSA-N 1 0 418.545 2.807 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(Cl)nc4C#N)C[C@@H]3C2)cn1 ZINC001164763442 721106837 /nfs/dbraw/zinc/10/68/37/721106837.db2.gz FYDSHOHOUVACNF-CABCVRRESA-N 1 0 406.868 2.843 20 30 HFEDRO Cc1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1C#N ZINC001164885034 721384959 /nfs/dbraw/zinc/38/49/59/721384959.db2.gz BXEJHKVQYIDSBU-UWJYYQICSA-N 1 0 403.958 2.681 20 30 HFEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc5c(cc4C#N)CCCC5)C3)O2)CC1 ZINC001164893050 721434205 /nfs/dbraw/zinc/43/42/05/721434205.db2.gz IVBCXMSJIQHOSI-URXFXBBRSA-N 1 0 409.578 2.597 20 30 HFEDRO C=CC[C@@]1(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000790677168 1078087971 /nfs/dbraw/zinc/08/79/71/1078087971.db2.gz RAZPWXGERFZLSD-AVRDEDQJSA-N 1 0 407.555 2.513 20 30 HFEDRO C=CCn1c(=S)n(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1-c1cnccn1 ZINC000772829459 1078094537 /nfs/dbraw/zinc/09/45/37/1078094537.db2.gz SKIZLIUMPQYTAU-QFBILLFUSA-N 1 0 411.579 2.963 20 30 HFEDRO C#C[C@H](CCC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cccc(C)c1 ZINC000790696509 1078098979 /nfs/dbraw/zinc/09/89/79/1078098979.db2.gz HABIPKBWBORWCL-RTBURBONSA-N 1 0 414.575 2.796 20 30 HFEDRO C=CC[C@]1(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790771981 1078129476 /nfs/dbraw/zinc/12/94/76/1078129476.db2.gz JBMHMXUSFDJDTO-PGRDOPGGSA-N 1 0 407.555 2.702 20 30 HFEDRO CCCCCCC[C@H](C)CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000793789190 1078297020 /nfs/dbraw/zinc/29/70/20/1078297020.db2.gz FGGDAYJLAQCZCC-CCDCCJRHSA-N 1 0 420.642 2.869 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000793843333 1078312298 /nfs/dbraw/zinc/31/22/98/1078312298.db2.gz UCCOSTBCPPGXLZ-UNMCSNQZSA-N 1 0 406.530 2.843 20 30 HFEDRO C#CC[NH+]1CCC(C(=O)N(CC2CCOCC2)c2ccc(Br)cn2)CC1 ZINC001129419057 1078448241 /nfs/dbraw/zinc/44/82/41/1078448241.db2.gz CQVCQQXGNGZCHT-UHFFFAOYSA-N 1 0 420.351 2.949 20 30 HFEDRO C#CCNc1nc(N(C)[C@@H](C)c2ccccn2)nc(N(C)[C@@H](C)c2ccccn2)n1 ZINC000804387760 1078446660 /nfs/dbraw/zinc/44/66/60/1078446660.db2.gz FLKGSJLKDRJJPT-IRXDYDNUSA-N 1 0 402.506 2.523 20 30 HFEDRO Cn1c(C#N)ccc1C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001129497201 1078517724 /nfs/dbraw/zinc/51/77/24/1078517724.db2.gz AHNCNBYJTRGYTA-UHFFFAOYSA-N 1 0 411.937 2.977 20 30 HFEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001129742643 1078714915 /nfs/dbraw/zinc/71/49/15/1078714915.db2.gz NGJRDOZCUNMSSW-GOSISDBHSA-N 1 0 418.541 2.751 20 30 HFEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC001130341297 1079212815 /nfs/dbraw/zinc/21/28/15/1079212815.db2.gz FVBYUXOWAQIGAC-UHFFFAOYSA-N 1 0 418.457 2.597 20 30 HFEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)c1 ZINC001130341842 1079213514 /nfs/dbraw/zinc/21/35/14/1079213514.db2.gz URWVJOPKKBULNG-FQEVSTJZSA-N 1 0 402.498 2.692 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805805794 1079281920 /nfs/dbraw/zinc/28/19/20/1079281920.db2.gz FFRSUBIEROAAGZ-URXFXBBRSA-N 1 0 406.530 2.843 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000805807415 1079282700 /nfs/dbraw/zinc/28/27/00/1079282700.db2.gz HIOQWQHUBXOSQM-BWAGFHJFSA-N 1 0 406.530 2.842 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000805807416 1079282740 /nfs/dbraw/zinc/28/27/40/1079282740.db2.gz HIOQWQHUBXOSQM-COPCDDAFSA-N 1 0 406.530 2.842 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)c1ccncc1 ZINC000805812922 1079287439 /nfs/dbraw/zinc/28/74/39/1079287439.db2.gz BGLMEUJBFPAPCI-HXUWFJFHSA-N 1 0 416.472 2.684 20 30 HFEDRO C=CC[NH+]1CCC(NC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787330599 1076742923 /nfs/dbraw/zinc/74/29/23/1076742923.db2.gz ZUFKKVBKAZPQHL-HNNXBMFYSA-N 1 0 403.527 2.514 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)c2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)CC1 ZINC000787380493 1076780651 /nfs/dbraw/zinc/78/06/51/1076780651.db2.gz FSTYSHNRHWPGCQ-UHFFFAOYSA-N 1 0 419.451 2.871 20 30 HFEDRO CC[NH+](CC)CCN1c2ccc(Br)cc2C(=NOC[C@H]2CCOC2)C1=O ZINC000788030525 1077035014 /nfs/dbraw/zinc/03/50/14/1077035014.db2.gz OOZFEIUFBCRVIT-AWEZNQCLSA-N 1 0 424.339 2.895 20 30 HFEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@H]1CCCc2nc(C)sc21)C(C)C ZINC000788444374 1077162050 /nfs/dbraw/zinc/16/20/50/1077162050.db2.gz QEPMGFXIGDODHR-ROUUACIJSA-N 1 0 404.580 2.760 20 30 HFEDRO CCOc1ccc(OCC)c(NC(=S)NN=C2CC[NH+](CCC(=O)OC)CC2)c1 ZINC000788714520 1077269276 /nfs/dbraw/zinc/26/92/76/1077269276.db2.gz DFGIDPPFAWVBTP-UHFFFAOYSA-N 1 0 422.551 2.785 20 30 HFEDRO COC(=O)CCC[NH+]1CCC(=NNCc2cc(OC)ccc2Br)CC1 ZINC000788731554 1077284595 /nfs/dbraw/zinc/28/45/95/1077284595.db2.gz OOSCVACIIFETIF-UHFFFAOYSA-N 1 0 412.328 2.952 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000788853527 1077320728 /nfs/dbraw/zinc/32/07/28/1077320728.db2.gz GMJZOALFRZVRQN-UHFFFAOYSA-N 1 0 423.561 2.860 20 30 HFEDRO C#CCn1ccc(CN(CC)C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000788879591 1077327736 /nfs/dbraw/zinc/32/77/36/1077327736.db2.gz CHZHKAWYCUDHFR-UHFFFAOYSA-N 1 0 422.577 2.650 20 30 HFEDRO C#CC[NH+]1CCC(C(=O)N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000791233333 1077339200 /nfs/dbraw/zinc/33/92/00/1077339200.db2.gz SDFDHLIKGGLRQY-UHFFFAOYSA-N 1 0 410.436 2.740 20 30 HFEDRO N#CCNC(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000789276481 1077493373 /nfs/dbraw/zinc/49/33/73/1077493373.db2.gz CARVFPNMPQFGJB-VQTJNVASSA-N 1 0 411.889 2.739 20 30 HFEDRO C#CCOc1ccc(NC(=O)C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000746807264 1077563532 /nfs/dbraw/zinc/56/35/32/1077563532.db2.gz OJTUGNUOEBISCL-NRFANRHFSA-N 1 0 405.498 2.760 20 30 HFEDRO CC[NH+]1CCN(c2ccc(C(=O)O[C@H]3CCCN(c4cc(C#N)ccn4)C3)cc2)CC1 ZINC000791975197 1077617301 /nfs/dbraw/zinc/61/73/01/1077617301.db2.gz IGGCOVFWWDBTMQ-QFIPXVFZSA-N 1 0 419.529 2.921 20 30 HFEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC001170183287 1077903326 /nfs/dbraw/zinc/90/33/26/1077903326.db2.gz FOIZCBMXDQTFLH-DHIUTWEWSA-N 1 0 421.541 2.901 20 30 HFEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](N3CCOCC3)CC1)CCC2 ZINC001170216041 1077909261 /nfs/dbraw/zinc/90/92/61/1077909261.db2.gz HDCSLGZBMWUAER-INIZCTEOSA-N 1 0 402.564 2.624 20 30 HFEDRO COC(OC)c1c(C#C[Si](C)(C)C)ccnc1NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170272329 1077925526 /nfs/dbraw/zinc/92/55/26/1077925526.db2.gz IJOZAZRGHNDLTE-MBOZVWFJSA-N 1 0 421.614 2.739 20 30 HFEDRO CC(C)(C)OC(=O)N1CC[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C[C@H]1C(N)=O ZINC001170389622 1077958210 /nfs/dbraw/zinc/95/82/10/1077958210.db2.gz WICDYVVPGGGWED-KPRXVCGWSA-N 1 0 412.534 2.797 20 30 HFEDRO C=CC[C@@]1(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCCN1C(=O)OC(C)(C)C ZINC000790250766 1077977126 /nfs/dbraw/zinc/97/71/26/1077977126.db2.gz YZWVNJZGDXNDKH-SVMVAKDDSA-N 1 0 409.571 2.948 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cccc(Cl)c1 ZINC000792747379 1077983281 /nfs/dbraw/zinc/98/32/81/1077983281.db2.gz JSEAWTSNTJSXRI-SJORKVTESA-N 1 0 420.966 2.751 20 30 HFEDRO C=CCCCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1F ZINC000790279930 1077983639 /nfs/dbraw/zinc/98/36/39/1077983639.db2.gz VBZLVVIUJWYMBL-QGZVFWFLSA-N 1 0 406.527 2.791 20 30 HFEDRO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2)s1 ZINC000790275486 1077993826 /nfs/dbraw/zinc/99/38/26/1077993826.db2.gz ZLJPWWQOLTUHIG-MOPGFXCFSA-N 1 0 408.527 2.646 20 30 HFEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCN(c3cc[nH+]cc3OC)CC2)c1 ZINC000792940348 1078022147 /nfs/dbraw/zinc/02/21/47/1078022147.db2.gz QPAKSBHSTVFDPA-SFHVURJKSA-N 1 0 409.490 2.803 20 30 HFEDRO C#CCOc1cccc(NC(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000806262355 1079527882 /nfs/dbraw/zinc/52/78/82/1079527882.db2.gz FHDNTCIBOPGGKI-UHFFFAOYSA-N 1 0 406.530 2.980 20 30 HFEDRO N#CCOc1ccc(CC(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001130733000 1079971014 /nfs/dbraw/zinc/97/10/14/1079971014.db2.gz HHNRATBFZBNPBJ-DHIUTWEWSA-N 1 0 405.498 2.633 20 30 HFEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1 ZINC001130742376 1080006199 /nfs/dbraw/zinc/00/61/99/1080006199.db2.gz UKAHNFMYWWCBLX-LJQANCHMSA-N 1 0 422.529 2.981 20 30 HFEDRO C[NH+]1CCN(CCCOc2ccc(NC(=O)c3ncc(C#N)cc3Cl)cc2)CC1 ZINC001130742465 1080006774 /nfs/dbraw/zinc/00/67/74/1080006774.db2.gz YJLXPDRBWLRYDQ-UHFFFAOYSA-N 1 0 413.909 2.875 20 30 HFEDRO CN(C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000807247796 1080404590 /nfs/dbraw/zinc/40/45/90/1080404590.db2.gz FQTNCWKBRKYETA-SFHVURJKSA-N 1 0 408.527 2.598 20 30 HFEDRO C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000807338034 1080539445 /nfs/dbraw/zinc/53/94/45/1080539445.db2.gz BAXPJGMMVGGBSB-NQIIRXRSSA-N 1 0 405.498 2.761 20 30 HFEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000807469772 1080648890 /nfs/dbraw/zinc/64/88/90/1080648890.db2.gz LHAXOEWPNKUHCT-SMIHKQSGSA-N 1 0 405.542 2.803 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)CC1 ZINC000747403996 1080770375 /nfs/dbraw/zinc/77/03/75/1080770375.db2.gz FCHSOANMPUKVJR-LJQANCHMSA-N 1 0 420.351 2.620 20 30 HFEDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2cc(C#N)ccc2F)[C@@H]1c1cccs1 ZINC000807582970 1080795418 /nfs/dbraw/zinc/79/54/18/1080795418.db2.gz XIFXSGBPXWWKOV-HNAYVOBHSA-N 1 0 414.506 2.574 20 30 HFEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CCO[C@H]4C3)c(Cl)nn2)cc1 ZINC001164390109 718826269 /nfs/dbraw/zinc/82/62/69/718826269.db2.gz MMDOEWGUJIFFIR-WBVHZDCISA-N 1 0 405.836 2.781 20 30 HFEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cnc1C#N)CC2 ZINC001164712685 720103932 /nfs/dbraw/zinc/10/39/32/720103932.db2.gz XXWBQTDSJZLZNA-QGZVFWFLSA-N 1 0 412.925 2.904 20 30 HFEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(OC)cc(C#N)n1)CC2 ZINC001164714305 720122221 /nfs/dbraw/zinc/12/22/21/720122221.db2.gz BTGVJYJZLFZRGV-FQEVSTJZSA-N 1 0 407.518 2.864 20 30 HFEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C3(C#N)CCOCC3)cn1)C2 ZINC001164816238 720157123 /nfs/dbraw/zinc/15/71/23/720157123.db2.gz KGWLVMNJVAKHGH-URXFXBBRSA-N 1 0 410.562 2.838 20 30 HFEDRO Cc1cc(Cl)nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C#N ZINC001164826667 720294144 /nfs/dbraw/zinc/29/41/44/720294144.db2.gz WDQKSXSLSYLFLT-ZWKOTPCHSA-N 1 0 401.942 2.827 20 30 HFEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncc3c(c2C#N)CCCC3)CC1 ZINC001164829571 720354277 /nfs/dbraw/zinc/35/42/77/720354277.db2.gz SPCQMPLJYWSZHB-VXKWHMMOSA-N 1 0 407.562 2.744 20 30 HFEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc([C@H](C#N)c3ccccc3F)nn2)C1 ZINC001164731430 720518533 /nfs/dbraw/zinc/51/85/33/720518533.db2.gz XELTUEPOLAYOOP-SJLPKXTDSA-N 1 0 405.481 2.666 20 30 HFEDRO Cc1ncc(C#N)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757471 720883787 /nfs/dbraw/zinc/88/37/87/720883787.db2.gz VCUDZDOBLSRDLW-ISKFKSNPSA-N 1 0 418.545 2.807 20 30 HFEDRO N#CC1(c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2)CCOCC1 ZINC001164879479 721131642 /nfs/dbraw/zinc/13/16/42/721131642.db2.gz SQNAFUPPIUSQKP-FCHUYYIVSA-N 1 0 419.529 2.528 20 30 HFEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)c(F)cc4C#N)C3)O2)CC1 ZINC001164890947 721381833 /nfs/dbraw/zinc/38/18/33/721381833.db2.gz PMWPKTNMOZYTIS-OXQOHEQNSA-N 1 0 407.921 2.511 20 30 HFEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nccc5ccc(C#N)cc54)C3)O2)CC1 ZINC001164886129 721404083 /nfs/dbraw/zinc/40/40/83/721404083.db2.gz HVESEXSGDFFCFK-URXFXBBRSA-N 1 0 405.546 2.872 20 30 HFEDRO N#Cc1ccc([N+](=O)[O-])c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906203 721702655 /nfs/dbraw/zinc/70/26/55/721702655.db2.gz KWYLLUXPZBNWIE-LJQANCHMSA-N 1 0 414.416 2.994 20 30 HFEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(C#N)ccc2[N+](=O)[O-])CC1 ZINC001165020226 721840712 /nfs/dbraw/zinc/84/07/12/721840712.db2.gz GJTITVJNBOLCDK-UHFFFAOYSA-N 1 0 411.462 2.979 20 30 HFEDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(COc2ccc(CC#N)cc2)cn1 ZINC001164935104 721880861 /nfs/dbraw/zinc/88/08/61/721880861.db2.gz VVMCIFGBVGZYRM-XZOQPEGZSA-N 1 0 405.546 2.941 20 30 HFEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1nc(Br)ccc1Br ZINC000790506370 1078047462 /nfs/dbraw/zinc/04/74/62/1078047462.db2.gz FBLCEGLJAFEBOE-UHFFFAOYSA-N 1 0 418.133 2.914 20 30 HFEDRO C=CC[C@]1(C(=O)NC2CC[NH+](CCCOC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790572039 1078058513 /nfs/dbraw/zinc/05/85/13/1078058513.db2.gz MYOQMBZOUWIVRB-JOCHJYFZSA-N 1 0 409.571 2.949 20 30 HFEDRO C=CC[C@]1(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790648443 1078093494 /nfs/dbraw/zinc/09/34/94/1078093494.db2.gz YKQMFWBWAIDVLC-WMZHIEFXSA-N 1 0 420.598 2.571 20 30 HFEDRO CC(C)=CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(F)cc1 ZINC000790696647 1078099026 /nfs/dbraw/zinc/09/90/26/1078099026.db2.gz VBNDIMYWNTWRGQ-KRWDZBQOSA-N 1 0 406.527 2.791 20 30 HFEDRO CC(C)=CCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1C#N ZINC000790700403 1078099435 /nfs/dbraw/zinc/09/94/35/1078099435.db2.gz DZSWOLXJCNXSOF-GOSISDBHSA-N 1 0 413.547 2.524 20 30 HFEDRO C=CC[C@]1(C(=O)N2CC[NH+](C3CCOCC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790716652 1078106687 /nfs/dbraw/zinc/10/66/87/1078106687.db2.gz XBXPSZYLCBWZDS-JOCHJYFZSA-N 1 0 407.555 2.655 20 30 HFEDRO COCCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000793287885 1078118694 /nfs/dbraw/zinc/11/86/94/1078118694.db2.gz KZMZZCGQRNLYSV-UHFFFAOYSA-N 1 0 402.502 2.785 20 30 HFEDRO C=C(Cl)CN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790737429 1078119766 /nfs/dbraw/zinc/11/97/66/1078119766.db2.gz ULELZZVPSARQIP-CYBMUJFWSA-N 1 0 400.957 2.500 20 30 HFEDRO CCCCCCC[C@H](C)CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000793793741 1078299764 /nfs/dbraw/zinc/29/97/64/1078299764.db2.gz WQNARRRHRMDOGA-PCCBWWKXSA-N 1 0 408.631 2.584 20 30 HFEDRO C=CCOc1ccc(/C=C/C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1OC ZINC000747150321 1078323967 /nfs/dbraw/zinc/32/39/67/1078323967.db2.gz OQKISNWDNUQBQB-MEJPMMASSA-N 1 0 400.519 2.983 20 30 HFEDRO C[C@H](NC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000804403245 1078466722 /nfs/dbraw/zinc/46/67/22/1078466722.db2.gz ZJBHVMBKVBNVGP-UUOWRZLLSA-N 1 0 404.514 2.764 20 30 HFEDRO C#C[C@H](NC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1)c1ccc(Cl)cc1F ZINC000804419397 1078468597 /nfs/dbraw/zinc/46/85/97/1078468597.db2.gz MCVDDYJMQHTMLZ-ALKREAHSSA-N 1 0 405.901 2.602 20 30 HFEDRO CSC1(CNC(=O)COc2cccc(Br)c2C#N)CC[NH+](C)CC1 ZINC001129524490 1078534589 /nfs/dbraw/zinc/53/45/89/1078534589.db2.gz QYQMHHOUZZNOSO-UHFFFAOYSA-N 1 0 412.353 2.643 20 30 HFEDRO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)[nH]1 ZINC001130223175 1079105367 /nfs/dbraw/zinc/10/53/67/1079105367.db2.gz PQZBSUDOOWFPLF-FKSLSLAPSA-N 1 0 401.555 2.676 20 30 HFEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)c1 ZINC001130341843 1079213443 /nfs/dbraw/zinc/21/34/43/1079213443.db2.gz URWVJOPKKBULNG-HXUWFJFHSA-N 1 0 402.498 2.692 20 30 HFEDRO CCc1nc(C#N)c(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)nc1Cl ZINC001170486682 1079224629 /nfs/dbraw/zinc/22/46/29/1079224629.db2.gz MBMPTCKSGRCTGL-WLYUNCDWSA-N 1 0 412.925 2.936 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccncc1 ZINC000805810139 1079285570 /nfs/dbraw/zinc/28/55/70/1079285570.db2.gz AGNAYPGMYFYDJV-UWJYYQICSA-N 1 0 407.518 2.552 20 30 HFEDRO N#CCOc1cccc(CC(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001130528513 1079465043 /nfs/dbraw/zinc/46/50/43/1079465043.db2.gz NQTBZKGNSFLKNH-GOTSBHOMSA-N 1 0 405.498 2.633 20 30 HFEDRO CC[NH+](CC)CCO[C@H]1CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000746676105 1076749715 /nfs/dbraw/zinc/74/97/15/1076749715.db2.gz SFFHSLCWOJGNDX-DLBZAZTESA-N 1 0 400.548 2.905 20 30 HFEDRO N#Cc1c(F)c(F)c(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c(F)c1F ZINC001170074931 1076861984 /nfs/dbraw/zinc/86/19/84/1076861984.db2.gz NNBAJEDTIGCSDB-UHFFFAOYSA-N 1 0 424.379 2.817 20 30 HFEDRO CN(C[C@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)C(=O)OC(C)(C)C ZINC001170075893 1076901705 /nfs/dbraw/zinc/90/17/05/1076901705.db2.gz WLBAZYGNEAUKDV-INIZCTEOSA-N 1 0 407.486 2.768 20 30 HFEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000787751534 1076926278 /nfs/dbraw/zinc/92/62/78/1076926278.db2.gz MOZFCMKUBYIVEC-MRXNPFEDSA-N 1 0 410.543 2.894 20 30 HFEDRO N#Cc1ncc(Br)cc1NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000787888743 1076978839 /nfs/dbraw/zinc/97/88/39/1076978839.db2.gz DNOJTMDHOPZLRV-UHFFFAOYSA-N 1 0 400.324 2.945 20 30 HFEDRO CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC1CCC[C@H]([NH+](C)C)C1 ZINC000788408742 1077153342 /nfs/dbraw/zinc/15/33/42/1077153342.db2.gz OOHIUDHIABUMCM-HNNXBMFYSA-N 1 0 411.528 2.897 20 30 HFEDRO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)s1 ZINC000788573330 1077209804 /nfs/dbraw/zinc/20/98/04/1077209804.db2.gz OUBAUNOZPJQKMP-ROUUACIJSA-N 1 0 408.527 2.646 20 30 HFEDRO CCOC(=O)[C@@H]1[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)CCN1C(=O)OC(C)(C)C ZINC000788650926 1077225874 /nfs/dbraw/zinc/22/58/74/1077225874.db2.gz ZAHHRWNNCSTMKI-ROUUACIJSA-N 1 0 403.479 2.620 20 30 HFEDRO C#CCn1ccc(CN(CC)C(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)n1 ZINC000788848215 1077318764 /nfs/dbraw/zinc/31/87/64/1077318764.db2.gz DDABHXLPPDTVPG-QFIPXVFZSA-N 1 0 409.534 2.894 20 30 HFEDRO C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746807650 1077565659 /nfs/dbraw/zinc/56/56/59/1077565659.db2.gz PPGHMBXWNRMQSN-FQEVSTJZSA-N 1 0 423.488 2.899 20 30 HFEDRO CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000789845700 1077818820 /nfs/dbraw/zinc/81/88/20/1077818820.db2.gz NSEHDRAEZNUXPD-IBGZPJMESA-N 1 0 424.545 2.918 20 30 HFEDRO CCOC(=O)c1ccc(OC(=O)CCCCCNC(=[NH2+])Nc2cncnc2C#N)cc1 ZINC001170268667 1077922835 /nfs/dbraw/zinc/92/28/35/1077922835.db2.gz WPXSJNDWWQCMGL-UHFFFAOYSA-N 1 0 424.461 2.627 20 30 HFEDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(C(=O)N(CCC#N)c3ccccc3)cn2)O1 ZINC001170279432 1077935445 /nfs/dbraw/zinc/93/54/45/1077935445.db2.gz YRNFTFQXRGGBGX-TXTKFYIRSA-N 1 0 423.517 2.779 20 30 HFEDRO COCCN1CCO[C@H]2C[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)CC[C@H]2C1=O ZINC001170381235 1077963564 /nfs/dbraw/zinc/96/35/64/1077963564.db2.gz KLVHXEZYLPIKDU-NLMCKWEYSA-N 1 0 411.546 2.586 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(Cl)cc1 ZINC000792746373 1077983017 /nfs/dbraw/zinc/98/30/17/1077983017.db2.gz GESDNZGEDWCYAL-DLBZAZTESA-N 1 0 420.966 2.751 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)S/C1=N/[C@@H](C)c1cccs1 ZINC000792748220 1077984096 /nfs/dbraw/zinc/98/40/96/1077984096.db2.gz UYVFSYVWUIKMTB-MVFHEMCISA-N 1 0 420.604 2.589 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1CC ZINC000792749218 1077984404 /nfs/dbraw/zinc/98/44/04/1077984404.db2.gz NXPWVCWUVISVNA-PKOBYXMFSA-N 1 0 414.575 2.660 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccccc1C ZINC000792748915 1077984661 /nfs/dbraw/zinc/98/46/61/1077984661.db2.gz GTUJVXBMFYWCFO-IEBWSBKVSA-N 1 0 414.575 2.796 20 30 HFEDRO C=CC[C@@]1(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790329720 1077998050 /nfs/dbraw/zinc/99/80/50/1077998050.db2.gz IYIMWFRVLXFSAE-QHCPKHFHSA-N 1 0 421.582 2.903 20 30 HFEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cccc(Br)n1)C(C)C ZINC000792955743 1078034695 /nfs/dbraw/zinc/03/46/95/1078034695.db2.gz XXKZXTBUHXAIDB-CQSZACIVSA-N 1 0 409.328 2.597 20 30 HFEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)CC2)c1 ZINC001130563081 1079516308 /nfs/dbraw/zinc/51/63/08/1079516308.db2.gz HZYQRNBLEFQHHC-UHFFFAOYSA-N 1 0 408.414 2.590 20 30 HFEDRO Cc1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)ccc1-n1cncn1 ZINC001130563435 1079517232 /nfs/dbraw/zinc/51/72/32/1079517232.db2.gz OAYHPODFFMCSHK-UHFFFAOYSA-N 1 0 400.486 2.842 20 30 HFEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc4c(c3)SCC(=O)N4)CC2)c1 ZINC001130563647 1079517331 /nfs/dbraw/zinc/51/73/31/1079517331.db2.gz WYKQSSMFLWDGKZ-UHFFFAOYSA-N 1 0 406.511 2.997 20 30 HFEDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCC(C)(C)CCC#N)CC2)cc1 ZINC000806333159 1079603734 /nfs/dbraw/zinc/60/37/34/1079603734.db2.gz GCUBWKUQKOJHNW-UHFFFAOYSA-N 1 0 401.555 2.836 20 30 HFEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000763677200 1080150920 /nfs/dbraw/zinc/15/09/20/1080150920.db2.gz YYXCNGQWORKZQU-SFHVURJKSA-N 1 0 403.486 2.701 20 30 HFEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000807110006 1080286960 /nfs/dbraw/zinc/28/69/60/1080286960.db2.gz OXFGUTJPRHVLOC-WMZOPIPTSA-N 1 0 419.526 2.502 20 30 HFEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1ccco1 ZINC000807109294 1080288361 /nfs/dbraw/zinc/28/83/61/1080288361.db2.gz FNBWNSWLUMVHJH-HZMVEIRTSA-N 1 0 419.526 2.767 20 30 HFEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000807249301 1080409597 /nfs/dbraw/zinc/40/95/97/1080409597.db2.gz PHSLFJWPLGHBIU-QUCCMNQESA-N 1 0 422.554 2.846 20 30 HFEDRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC[N@@H+]1C ZINC000807250369 1080410192 /nfs/dbraw/zinc/41/01/92/1080410192.db2.gz ZCYLIOXKPWCJLT-CRAIPNDOSA-N 1 0 410.543 2.844 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(OC)c(OC)cc2NC(=O)C(C)(C)C)CC1 ZINC000747404157 1080769632 /nfs/dbraw/zinc/76/96/32/1080769632.db2.gz HJTMNJMSKKXTCK-UHFFFAOYSA-N 1 0 415.534 2.906 20 30 HFEDRO COCCn1cc([C@H]2[C@H](C[NH2+]Cc3ccc(C#N)s3)CC(=O)N2C(C)(C)C)cn1 ZINC000582879179 560729823 /nfs/dbraw/zinc/72/98/23/560729823.db2.gz XRDQZSDOKBLVBQ-MGPUTAFESA-N 1 0 415.563 2.941 20 30 HFEDRO N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)cnc2Cl)c1 ZINC001164409995 718855207 /nfs/dbraw/zinc/85/52/07/718855207.db2.gz YKQFBHDCUVSABQ-APWZRJJASA-N 1 0 404.848 2.837 20 30 HFEDRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)c(-c2ccc(C#N)cc2)c1 ZINC001164630609 719138429 /nfs/dbraw/zinc/13/84/29/719138429.db2.gz JUOGQOFJLNASQN-MRXNPFEDSA-N 1 0 406.820 2.770 20 30 HFEDRO CC(C)N(C)Cc1nn(-c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)c2c1CC[NH2+]C2 ZINC001164680258 719649120 /nfs/dbraw/zinc/64/91/20/719649120.db2.gz DRRDSUAWUICGFA-UHFFFAOYSA-N 1 0 405.462 2.686 20 30 HFEDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccc(F)cc3)ccc1C#N)CC2 ZINC001164683041 719700197 /nfs/dbraw/zinc/70/01/97/719700197.db2.gz HWQCPIYEROTNOE-UHFFFAOYSA-N 1 0 407.493 2.940 20 30 HFEDRO N#Cc1cc2c(nc1N1CCC3(CC1)C[N@H+](Cc1cccs1)CCO3)CCOC2 ZINC001164706986 719900011 /nfs/dbraw/zinc/90/00/11/719900011.db2.gz MJISSVNHVVXJEY-UHFFFAOYSA-N 1 0 410.543 2.959 20 30 HFEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C3(C#N)CCOCC3)cn1)C2 ZINC001164816237 720156131 /nfs/dbraw/zinc/15/61/31/720156131.db2.gz KGWLVMNJVAKHGH-QPPBQGQZSA-N 1 0 410.562 2.838 20 30 HFEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncc(CC#N)cc2Cl)CC1 ZINC001164827864 720347900 /nfs/dbraw/zinc/34/79/00/720347900.db2.gz MXVQTASVVUDLNY-MOPGFXCFSA-N 1 0 401.942 2.713 20 30 HFEDRO Cc1nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)cc1C#N ZINC001164821788 720353432 /nfs/dbraw/zinc/35/34/32/720353432.db2.gz BZJNIZOXYFFPJD-OALUTQOASA-N 1 0 401.942 2.827 20 30 HFEDRO CSc1nc(Cl)c(C=NO)c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729246 720355745 /nfs/dbraw/zinc/35/57/45/720355745.db2.gz XQKBLNOGZZCCPB-CABCVRRESA-N 1 0 404.927 2.908 20 30 HFEDRO COc1cc(C(F)(F)N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c(C#N)c(Cl)n1 ZINC001164726085 720518826 /nfs/dbraw/zinc/51/88/26/720518826.db2.gz ANBYQIDWLNZKKT-GFCCVEGCSA-N 1 0 410.856 2.555 20 30 HFEDRO Cc1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164746883 720741736 /nfs/dbraw/zinc/74/17/36/720741736.db2.gz YUORESNZHKTFIQ-WOJBJXKFSA-N 1 0 407.594 2.751 20 30 HFEDRO N#Cc1cc2c(nc1N1CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C1)CCCC2 ZINC001164742510 720846208 /nfs/dbraw/zinc/84/62/08/720846208.db2.gz HEGWTXOJIZEJBD-FUPPJEDESA-N 1 0 417.561 2.803 20 30 HFEDRO Cc1ncc(C#N)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757472 720883692 /nfs/dbraw/zinc/88/36/92/720883692.db2.gz VCUDZDOBLSRDLW-LADGPHEKSA-N 1 0 418.545 2.807 20 30 HFEDRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(C#N)c4cc(Cl)ccc4n3)CC[C@@H]2C1 ZINC001164860802 720886614 /nfs/dbraw/zinc/88/66/14/720886614.db2.gz PEAHJJLXKICGDY-QRWLVFNGSA-N 1 0 400.910 2.933 20 30 HFEDRO Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cnc1C#N ZINC001164756260 720901192 /nfs/dbraw/zinc/90/11/92/720901192.db2.gz OWYDKFJPUFDCTL-URXFXBBRSA-N 1 0 418.545 2.807 20 30 HFEDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc3ccccc3c(Cl)c1C#N)CC2 ZINC001164754475 720962917 /nfs/dbraw/zinc/96/29/17/720962917.db2.gz RZCXTVGQDSUHAW-UHFFFAOYSA-N 1 0 424.892 2.602 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4c(C#N)cnc5cnc(Cl)cc54)C[C@@H]3C2)cn1 ZINC001164774301 721088057 /nfs/dbraw/zinc/08/80/57/721088057.db2.gz ZRRFTWLIOMGMSK-WBVHZDCISA-N 1 0 407.909 2.847 20 30 HFEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nccc5ccc(C#N)cc54)C3)O2)CC1 ZINC001164886113 721404160 /nfs/dbraw/zinc/40/41/60/721404160.db2.gz HVESEXSGDFFCFK-QPPBQGQZSA-N 1 0 405.546 2.872 20 30 HFEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc5c(c4C#N)CCCC5)C3)O2)CC1 ZINC001164891123 721451754 /nfs/dbraw/zinc/45/17/54/721451754.db2.gz UGDRHNANJVNGGI-GBXCKJPGSA-N 1 0 409.578 2.597 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(F)cc1C#N)CC2 ZINC001164790158 721453487 /nfs/dbraw/zinc/45/34/87/721453487.db2.gz XBSOAALHYZPKJH-FQEVSTJZSA-N 1 0 402.514 2.826 20 30 HFEDRO N#Cc1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904784 721699769 /nfs/dbraw/zinc/69/97/69/721699769.db2.gz GNWCZSMSLVPIKD-IBGZPJMESA-N 1 0 414.416 2.994 20 30 HFEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC001165022474 721840465 /nfs/dbraw/zinc/84/04/65/721840465.db2.gz TZIKKLYTZBQICV-UHFFFAOYSA-N 1 0 411.462 2.979 20 30 HFEDRO N#Cc1cc(F)c(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976537 722100067 /nfs/dbraw/zinc/10/00/67/722100067.db2.gz DVHMIVDJRKCSBU-MAUKXSAKSA-N 1 0 401.873 2.868 20 30 HFEDRO N#Cc1ccc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164982753 722105705 /nfs/dbraw/zinc/10/57/05/722105705.db2.gz ONMFLMKXRFRKSI-UGKGYDQZSA-N 1 0 400.486 2.624 20 30 HFEDRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccnc(Cl)c1C#N)CCC2 ZINC001164999603 722251167 /nfs/dbraw/zinc/25/11/67/722251167.db2.gz DOWHHLHLFSXCNT-UHFFFAOYSA-N 1 0 424.883 2.837 20 30 HFEDRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cnc(Cl)cc1C#N)CCC2 ZINC001165002853 722255130 /nfs/dbraw/zinc/25/51/30/722255130.db2.gz UMQRMHFCLGBCKT-UHFFFAOYSA-N 1 0 424.883 2.837 20 30 HFEDRO C#C[C@H](CCC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790728629 1078117697 /nfs/dbraw/zinc/11/76/97/1078117697.db2.gz VTPRAVUAWDRJAJ-CVEARBPZSA-N 1 0 406.577 2.549 20 30 HFEDRO C=CC[C@@]1(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790741224 1078121331 /nfs/dbraw/zinc/12/13/31/1078121331.db2.gz FHIMAPIDIXYLSC-GCJKJVERSA-N 1 0 407.555 2.513 20 30 HFEDRO COc1cccc([C@@H](C)[NH+]2CCN(Cn3cc4c(c(C#N)c3=O)CCCC4)CC2)c1 ZINC000793500738 1078204148 /nfs/dbraw/zinc/20/41/48/1078204148.db2.gz WNTYBVUBVLSOSP-GOSISDBHSA-N 1 0 406.530 2.944 20 30 HFEDRO C=CCOc1ccc(/C=C\C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1OC ZINC000747150319 1078323784 /nfs/dbraw/zinc/32/37/84/1078323784.db2.gz OQKISNWDNUQBQB-LXQLALGOSA-N 1 0 400.519 2.983 20 30 HFEDRO C#CC[NH+]1CCC(C(=O)Nc2c(F)cc(I)cc2F)CC1 ZINC001129728000 1078678117 /nfs/dbraw/zinc/67/81/17/1078678117.db2.gz VXKJCWCQZPTLPR-UHFFFAOYSA-N 1 0 404.198 2.853 20 30 HFEDRO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)[nH]1 ZINC001130224968 1079107840 /nfs/dbraw/zinc/10/78/40/1079107840.db2.gz LBTWNPPUDWYQJA-FKSLSLAPSA-N 1 0 401.555 2.676 20 30 HFEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CN3Cc4ccccc4OC3=O)CC2)c1 ZINC001130341329 1079212719 /nfs/dbraw/zinc/21/27/19/1079212719.db2.gz HLGPSMVFGOYBCQ-UHFFFAOYSA-N 1 0 404.470 2.653 20 30 HFEDRO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000805764327 1079265002 /nfs/dbraw/zinc/26/50/02/1079265002.db2.gz CFTHIAQEVUPFKF-LJQANCHMSA-N 1 0 400.523 2.944 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC)c1ccncc1 ZINC000805808930 1079284777 /nfs/dbraw/zinc/28/47/77/1079284777.db2.gz KNBCYDDCDSSTOI-VXKWHMMOSA-N 1 0 421.545 2.723 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805808612 1079283686 /nfs/dbraw/zinc/28/36/86/1079283686.db2.gz VSNDSGJUVOZXMG-FGZHOGPDSA-N 1 0 406.530 2.938 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805814125 1079288211 /nfs/dbraw/zinc/28/82/11/1079288211.db2.gz PTEZEUCVIQUSOU-QIJUGHKUSA-N 1 0 406.530 2.842 20 30 HFEDRO N#CCOc1cccc(CC(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001130528517 1079464983 /nfs/dbraw/zinc/46/49/83/1079464983.db2.gz NQTBZKGNSFLKNH-XZOQPEGZSA-N 1 0 405.498 2.633 20 30 HFEDRO C=C(Br)CNC(=O)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000787501387 1076827783 /nfs/dbraw/zinc/82/77/83/1076827783.db2.gz QDPVUHZIJYMMQZ-HUUCEWRRSA-N 1 0 422.367 2.806 20 30 HFEDRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000787667444 1076904030 /nfs/dbraw/zinc/90/40/30/1076904030.db2.gz CDUPNBHRNNTLEQ-MRXNPFEDSA-N 1 0 410.543 2.751 20 30 HFEDRO C[C@@H](OC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)C(=O)NC1(C#N)CCC1 ZINC000787706789 1076920183 /nfs/dbraw/zinc/92/01/83/1076920183.db2.gz SFLCJBGUMCTBTF-FOIQADDNSA-N 1 0 423.435 2.935 20 30 HFEDRO COc1ccc(CNC(=O)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1C#N ZINC000787735764 1076935797 /nfs/dbraw/zinc/93/57/97/1076935797.db2.gz HKIULVOKLZLMIP-NRFANRHFSA-N 1 0 420.513 2.526 20 30 HFEDRO CC(C)(C)OC(=O)NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000788273771 1077095081 /nfs/dbraw/zinc/09/50/81/1077095081.db2.gz BKPASSWIDJKZOI-WOJBJXKFSA-N 1 0 414.550 2.864 20 30 HFEDRO C#CCN(C)C(=O)c1nnn(-c2cccc3c2CCN(Cc2ccccc2F)C3)c1C ZINC000790965689 1077256587 /nfs/dbraw/zinc/25/65/87/1077256587.db2.gz WNVQHEZTRQWITC-UHFFFAOYSA-N 1 0 417.488 2.978 20 30 HFEDRO COc1nc(C)nc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)c1C#N ZINC001170146408 1077257335 /nfs/dbraw/zinc/25/73/35/1077257335.db2.gz LBBGECXWPMUVDP-UHFFFAOYSA-N 1 0 402.462 2.575 20 30 HFEDRO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)c2)s1 ZINC000788801757 1077292797 /nfs/dbraw/zinc/29/27/97/1077292797.db2.gz ZLUWINCDCLOFBZ-MRXNPFEDSA-N 1 0 408.527 2.503 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC000788844332 1077317858 /nfs/dbraw/zinc/31/78/58/1077317858.db2.gz RECSZLBMNUKNRV-JOCHJYFZSA-N 1 0 409.534 2.511 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC000788844333 1077317894 /nfs/dbraw/zinc/31/78/94/1077317894.db2.gz RECSZLBMNUKNRV-QFIPXVFZSA-N 1 0 409.534 2.511 20 30 HFEDRO COc1ccc(CNC(=O)NC[C@H](c2ccc(OC)c(OC)c2)[NH+](C)C)cc1C#N ZINC000746786293 1077398436 /nfs/dbraw/zinc/39/84/36/1077398436.db2.gz YRVDDIIIMAZLLG-GOSISDBHSA-N 1 0 412.490 2.686 20 30 HFEDRO Cc1nc(SCC(=O)OCCCN2CC[NH+](C(C)C)CC2)c(C#N)c(C)c1C ZINC000791614541 1077488106 /nfs/dbraw/zinc/48/81/06/1077488106.db2.gz YYXVGUNUNLQPJB-UHFFFAOYSA-N 1 0 404.580 2.930 20 30 HFEDRO COc1cccc(C2=NO[C@@H](C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)C2)c1 ZINC000791590062 1077494099 /nfs/dbraw/zinc/49/40/99/1077494099.db2.gz JSQQHXJJHVBRGD-JOCHJYFZSA-N 1 0 406.486 2.650 20 30 HFEDRO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000746835267 1077706803 /nfs/dbraw/zinc/70/68/03/1077706803.db2.gz WMFFBZAQQKNWGW-QGZVFWFLSA-N 1 0 402.539 2.951 20 30 HFEDRO CN(C)C(=O)Cn1cc2c(n1)[C@H](C[NH2+]C1CCC(C#N)(c3ccccc3)CC1)OCC2 ZINC001170359838 1077950332 /nfs/dbraw/zinc/95/03/32/1077950332.db2.gz IXOXDCSONMFYHT-DQBMGFJSSA-N 1 0 421.545 2.579 20 30 HFEDRO C[C@@H](CNC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C[NH+]1CCCC1 ZINC000790186435 1077966533 /nfs/dbraw/zinc/96/65/33/1077966533.db2.gz JMWLYXVXROSDCK-INIZCTEOSA-N 1 0 410.543 2.751 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1Cl ZINC000792745079 1077982705 /nfs/dbraw/zinc/98/27/05/1077982705.db2.gz BRAVVSMOMXDIDF-WMLDXEAASA-N 1 0 420.966 2.751 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cccc(C)c1C ZINC000792747476 1077983314 /nfs/dbraw/zinc/98/33/14/1077983314.db2.gz AAGKVEMOBUJSAF-HKUYNNGSSA-N 1 0 414.575 2.715 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cc(C)cc(C)c1 ZINC000792747342 1077983633 /nfs/dbraw/zinc/98/36/33/1077983633.db2.gz JQQSKPKKTBDBQE-MOPGFXCFSA-N 1 0 414.575 2.715 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccc(C)cc1 ZINC000792748525 1077983929 /nfs/dbraw/zinc/98/39/29/1077983929.db2.gz NTMBGZWERJELDP-RBUKOAKNSA-N 1 0 414.575 2.796 20 30 HFEDRO C=CCCCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cccc(C)c1 ZINC000790281444 1077984140 /nfs/dbraw/zinc/98/41/40/1077984140.db2.gz QEVLPLACDXPFQG-SFHVURJKSA-N 1 0 402.564 2.961 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccc(F)cc1 ZINC000792749790 1077984867 /nfs/dbraw/zinc/98/48/67/1077984867.db2.gz RRAWDEGUPBTDCO-ROUUACIJSA-N 1 0 418.538 2.627 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(C)c(C)c1 ZINC000792751724 1077985690 /nfs/dbraw/zinc/98/56/90/1077985690.db2.gz RFMHHTBQHHUMCD-MOPGFXCFSA-N 1 0 414.575 2.715 20 30 HFEDRO OC1(c2ccccc2)CCN(CC#CC[NH+]2CCC(O)(c3ccccc3)CC2)CC1 ZINC000792878258 1078015763 /nfs/dbraw/zinc/01/57/63/1078015763.db2.gz TXKCWUMLCVABCP-UHFFFAOYSA-N 1 0 404.554 2.957 20 30 HFEDRO C[NH+]1CCN(c2ccc(/C=C3\CCc4c(cnn4-c4ncccn4)C3=O)cc2)CC1 ZINC000792904480 1078020034 /nfs/dbraw/zinc/02/00/34/1078020034.db2.gz GAIRBUABLLBTPH-OBGWFSINSA-N 1 0 400.486 2.627 20 30 HFEDRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)/C=C\c3ccccc3C#N)cc2)CC1 ZINC000806318055 1079571128 /nfs/dbraw/zinc/57/11/28/1079571128.db2.gz RDAZCVPPDYSZJO-GHXNOFRVSA-N 1 0 418.497 2.895 20 30 HFEDRO N#Cc1cccnc1NCCNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000806535515 1079806783 /nfs/dbraw/zinc/80/67/83/1079806783.db2.gz UVYMMJGCSTXYGR-QHCPKHFHSA-N 1 0 404.518 2.673 20 30 HFEDRO CC(C)Oc1ccc([C@@H](CNC(=O)NCCNc2ncccc2C#N)[NH+](C)C)cc1 ZINC000806535529 1079809428 /nfs/dbraw/zinc/80/94/28/1079809428.db2.gz VKBYOXPMYZWPNE-HXUWFJFHSA-N 1 0 410.522 2.754 20 30 HFEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000807248829 1080406023 /nfs/dbraw/zinc/40/60/23/1080406023.db2.gz GMYZIEBWRBCEQE-KRWDZBQOSA-N 1 0 410.543 2.751 20 30 HFEDRO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)c2)s1 ZINC000807249726 1080408051 /nfs/dbraw/zinc/40/80/51/1080408051.db2.gz FFOZDHQQNQXEPG-IBGZPJMESA-N 1 0 422.554 2.990 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1 ZINC000747405559 1080797833 /nfs/dbraw/zinc/79/78/33/1080797833.db2.gz ZWRDAUJNVFLIJV-OAQYLSRUSA-N 1 0 411.546 2.952 20 30 HFEDRO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000328606095 569418321 /nfs/dbraw/zinc/41/83/21/569418321.db2.gz QLCSWLWGJHODKV-MRXNPFEDSA-N 1 0 409.490 2.994 20 30 HFEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CCO[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164390106 718826032 /nfs/dbraw/zinc/82/60/32/718826032.db2.gz MMDOEWGUJIFFIR-DOTOQJQBSA-N 1 0 405.836 2.781 20 30 HFEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CCO[C@H]4C3)c(Cl)nn2)c1 ZINC001164391357 718826575 /nfs/dbraw/zinc/82/65/75/718826575.db2.gz UQKGJKQEQZAEIL-WBVHZDCISA-N 1 0 405.836 2.781 20 30 HFEDRO N#Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH2+]C[C@]4(CO)C3)cnc2Cl)c1 ZINC001164409999 718855094 /nfs/dbraw/zinc/85/50/94/718855094.db2.gz YKQFBHDCUVSABQ-QFBILLFUSA-N 1 0 404.848 2.837 20 30 HFEDRO CC(C)N(C)Cc1nn(-c2ccc([C@H](C#N)c3ccccc3F)nn2)c2c1CC[NH2+]C2 ZINC001164681277 719630037 /nfs/dbraw/zinc/63/00/37/719630037.db2.gz FSZJPTLBHBJLJL-GOSISDBHSA-N 1 0 419.508 2.943 20 30 HFEDRO CCOC(=O)c1cc(C)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c1C#N ZINC001164813149 720094258 /nfs/dbraw/zinc/09/42/58/720094258.db2.gz SSVDQTNNSFKFNA-WZONZLPQSA-N 1 0 412.534 2.623 20 30 HFEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])cc1C#N)CC2 ZINC001164719551 720112543 /nfs/dbraw/zinc/11/25/43/720112543.db2.gz YYEUDGQEKAUNIA-FQEVSTJZSA-N 1 0 422.489 2.764 20 30 HFEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc3c(c1C#N)CCCC3)CCC2 ZINC001164815241 720246233 /nfs/dbraw/zinc/24/62/33/720246233.db2.gz CBKFWZNWOYKCEE-UHFFFAOYSA-N 1 0 406.534 2.639 20 30 HFEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc3c(cc2C#N)CCCC3)CC1 ZINC001164821728 720338153 /nfs/dbraw/zinc/33/81/53/720338153.db2.gz BONGWWXZUQPTHA-VXKWHMMOSA-N 1 0 407.562 2.744 20 30 HFEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164733418 720464359 /nfs/dbraw/zinc/46/43/59/720464359.db2.gz PLCKWQYTZREYBM-CEXWTWQISA-N 1 0 420.517 2.674 20 30 HFEDRO Cc1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C#N ZINC001164743940 720811994 /nfs/dbraw/zinc/81/19/94/720811994.db2.gz GZMWRCAHVHYKHQ-ZHALLVOQSA-N 1 0 411.941 2.886 20 30 HFEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4ccccc4c(Cl)c3C#N)CC[C@@H]2C1 ZINC001164864447 720873714 /nfs/dbraw/zinc/87/37/14/720873714.db2.gz VUESBOHPDLNBJR-BEFAXECRSA-N 1 0 400.910 2.933 20 30 HFEDRO Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cnc1C#N ZINC001164756262 720902631 /nfs/dbraw/zinc/90/26/31/720902631.db2.gz OWYDKFJPUFDCTL-ZJSXRUAMSA-N 1 0 418.545 2.807 20 30 HFEDRO Cc1nc(C#N)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754244 720936433 /nfs/dbraw/zinc/93/64/33/720936433.db2.gz VFDYTRXBBWITKZ-XUZZJYLKSA-N 1 0 418.545 2.807 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(C#N)c(Cl)n4)C[C@@H]3C2)cn1 ZINC001164762195 721078992 /nfs/dbraw/zinc/07/89/92/721078992.db2.gz CYVXSWJCZNSXLV-CVEARBPZSA-N 1 0 406.868 2.843 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccnc(Cl)c4C#N)C[C@@H]3C2)cn1 ZINC001164765897 721084529 /nfs/dbraw/zinc/08/45/29/721084529.db2.gz KDTYEXZREUJICB-GJZGRUSLSA-N 1 0 406.868 2.843 20 30 HFEDRO Cc1nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(Cl)cc1C#N ZINC001164885344 721450882 /nfs/dbraw/zinc/45/08/82/721450882.db2.gz DFBVQJOPKLEWRE-WIYYLYMNSA-N 1 0 403.958 2.681 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3c(C#N)c[nH]c3n1)CC2 ZINC001164784437 721464044 /nfs/dbraw/zinc/46/40/44/721464044.db2.gz IALBNNUJEZSMBU-LJQANCHMSA-N 1 0 424.549 2.563 20 30 HFEDRO CCOC(=O)c1cc(C)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1C#N ZINC001164900186 721523743 /nfs/dbraw/zinc/52/37/43/721523743.db2.gz PATMDNUVCBZZLP-HKUYNNGSSA-N 1 0 424.476 2.919 20 30 HFEDRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccc(C#N)c(Cl)n1)CCC2 ZINC001164999782 722250871 /nfs/dbraw/zinc/25/08/71/722250871.db2.gz FORHXVAMBIZZEO-UHFFFAOYSA-N 1 0 424.883 2.837 20 30 HFEDRO C#C[C@H](CCC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1C ZINC000790697314 1078098824 /nfs/dbraw/zinc/09/88/24/1078098824.db2.gz ISPWRWKRQAJISI-IEBWSBKVSA-N 1 0 414.575 2.796 20 30 HFEDRO C#C[C@@H](CCC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790728631 1078117748 /nfs/dbraw/zinc/11/77/48/1078117748.db2.gz VTPRAVUAWDRJAJ-HOTGVXAUSA-N 1 0 406.577 2.549 20 30 HFEDRO C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c1 ZINC000747122453 1078177412 /nfs/dbraw/zinc/17/74/12/1078177412.db2.gz MIIZGHLDGYZDKZ-UHFFFAOYSA-N 1 0 418.541 2.909 20 30 HFEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C ZINC000804453305 1078491087 /nfs/dbraw/zinc/49/10/87/1078491087.db2.gz DKAFOTIKJGZPAS-NRFANRHFSA-N 1 0 413.525 2.928 20 30 HFEDRO N#Cc1ccc(CN2CC[N@H+](Cc3ccccc3)[C@@H](CO)C2)c(Br)c1 ZINC001137632859 1078555484 /nfs/dbraw/zinc/55/54/84/1078555484.db2.gz MPDHVYVAHBHTHA-LJQANCHMSA-N 1 0 400.320 2.999 20 30 HFEDRO C#CCNc1nc(N[C@H](C)Cc2ccncc2)[nH+]c(N[C@H](C)Cc2ccncc2)n1 ZINC000804534015 1078571512 /nfs/dbraw/zinc/57/15/12/1078571512.db2.gz CVCRVJSMRSGRFB-IAGOWNOFSA-N 1 0 402.506 2.793 20 30 HFEDRO C#CCNc1nc(NCCc2cnc(C)s2)[nH+]c(NCCc2cnc(C)s2)n1 ZINC000804562786 1078598055 /nfs/dbraw/zinc/59/80/55/1078598055.db2.gz LYJSOPVWOHGFNC-UHFFFAOYSA-N 1 0 414.564 2.756 20 30 HFEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001129742644 1078714923 /nfs/dbraw/zinc/71/49/23/1078714923.db2.gz NGJRDOZCUNMSSW-SFHVURJKSA-N 1 0 418.541 2.751 20 30 HFEDRO C#C[C@@H](NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Cl)cc1F ZINC000804918466 1078739623 /nfs/dbraw/zinc/73/96/23/1078739623.db2.gz OWPXVYMMKMXDBT-LJQANCHMSA-N 1 0 415.900 2.800 20 30 HFEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](N(C)c3ccc(C)cc3)C2)CC1 ZINC000804898343 1078754525 /nfs/dbraw/zinc/75/45/25/1078754525.db2.gz JDPAOFIQZYWFEP-JOCHJYFZSA-N 1 0 412.578 2.579 20 30 HFEDRO N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000747226970 1078854666 /nfs/dbraw/zinc/85/46/66/1078854666.db2.gz RPJDPLPRSDUZGI-JOCHJYFZSA-N 1 0 410.543 2.698 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)c1ccncc1 ZINC000805806136 1079282272 /nfs/dbraw/zinc/28/22/72/1079282272.db2.gz IZQXAPKFGOQVFH-DENIHFKCSA-N 1 0 406.530 2.938 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)c1ccncc1 ZINC000805812921 1079287808 /nfs/dbraw/zinc/28/78/08/1079287808.db2.gz BGLMEUJBFPAPCI-FQEVSTJZSA-N 1 0 416.472 2.684 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805814122 1079288235 /nfs/dbraw/zinc/28/82/35/1079288235.db2.gz PTEZEUCVIQUSOU-BWAGFHJFSA-N 1 0 406.530 2.842 20 30 HFEDRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000787402835 1076808764 /nfs/dbraw/zinc/80/87/64/1076808764.db2.gz JNZOSXWKYBJROR-QOCHGBHMSA-N 1 0 423.583 2.695 20 30 HFEDRO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000787611308 1076877617 /nfs/dbraw/zinc/87/76/17/1076877617.db2.gz VCNQWIXGKUHTRU-KRWDZBQOSA-N 1 0 402.514 2.862 20 30 HFEDRO C[C@H](OC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)C(=O)NC1(C#N)CCC1 ZINC000787706796 1076920122 /nfs/dbraw/zinc/92/01/22/1076920122.db2.gz SFLCJBGUMCTBTF-YWZLYKJASA-N 1 0 423.435 2.935 20 30 HFEDRO COc1ccc(CNC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)cc1C#N ZINC000746715047 1077002131 /nfs/dbraw/zinc/00/21/31/1077002131.db2.gz VKCJVRWETFLSLR-UHFFFAOYSA-N 1 0 421.545 2.968 20 30 HFEDRO C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(C[NH+](CC)CC)cc2)c1 ZINC000787899407 1077004059 /nfs/dbraw/zinc/00/40/59/1077004059.db2.gz VYXGRESJUAFCRN-UHFFFAOYSA-N 1 0 420.513 2.545 20 30 HFEDRO CC[NH+](CC)CCN1c2ccc(Br)cc2C(=NOC[C@@H]2CCOC2)C1=O ZINC000788030528 1077035027 /nfs/dbraw/zinc/03/50/27/1077035027.db2.gz OOZFEIUFBCRVIT-CQSZACIVSA-N 1 0 424.339 2.895 20 30 HFEDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC001626111949 1077141778 /nfs/dbraw/zinc/14/17/78/1077141778.db2.gz UETPEQJKTWGCPT-MRXNPFEDSA-N 1 0 410.478 2.834 20 30 HFEDRO COc1ccc(C[NH2+]C[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1C#N ZINC000788530353 1077204429 /nfs/dbraw/zinc/20/44/29/1077204429.db2.gz YSNUXAPHJKTWPH-FQEVSTJZSA-N 1 0 411.477 2.513 20 30 HFEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)CC1 ZINC000791115907 1077301871 /nfs/dbraw/zinc/30/18/71/1077301871.db2.gz ZGNCXVJRSXTLAA-UHFFFAOYSA-N 1 0 418.335 2.969 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000789045580 1077393619 /nfs/dbraw/zinc/39/36/19/1077393619.db2.gz DDOCNNBWNCQGEV-FQEVSTJZSA-N 1 0 417.941 2.631 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000789062713 1077395064 /nfs/dbraw/zinc/39/50/64/1077395064.db2.gz PSNXWPFPWYNXCQ-IRLDBZIGSA-N 1 0 423.561 2.727 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000789220815 1077448805 /nfs/dbraw/zinc/44/88/05/1077448805.db2.gz SOGMCRZBTKSHID-XMMPIXPASA-N 1 0 423.561 2.729 20 30 HFEDRO C[NH+](C)CCNC(=O)CC1SC(=Nc2cccc(Oc3ccccc3)c2)NC1=O ZINC000746806962 1077564782 /nfs/dbraw/zinc/56/47/82/1077564782.db2.gz KLHMENIIIXOBKS-GOSISDBHSA-N 1 0 412.515 2.766 20 30 HFEDRO C#CC[NH+]1CCC(C(=O)N[C@](C)(CC(=O)OC)c2ccc(Br)cc2)CC1 ZINC000789717221 1077754795 /nfs/dbraw/zinc/75/47/95/1077754795.db2.gz RYQFQPSVKLUSTI-HXUWFJFHSA-N 1 0 421.335 2.689 20 30 HFEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)CC(C)(C)C#N ZINC000790010554 1077911245 /nfs/dbraw/zinc/91/12/45/1077911245.db2.gz IJHMZWHUOYAXRS-UHFFFAOYSA-N 1 0 402.358 2.692 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000790104871 1077950151 /nfs/dbraw/zinc/95/01/51/1077950151.db2.gz KVDGQVBSWLJJIX-OAQYLSRUSA-N 1 0 422.573 2.835 20 30 HFEDRO N#CC1(c2ccccc2)CCC([NH2+]CC(=O)NCC(=O)OCc2ccccc2)CC1 ZINC001170361815 1077950523 /nfs/dbraw/zinc/95/05/23/1077950523.db2.gz HAZAVTVTQFKFSS-UHFFFAOYSA-N 1 0 405.498 2.840 20 30 HFEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001170376007 1077962145 /nfs/dbraw/zinc/96/21/45/1077962145.db2.gz JFYOBNGXQSDFRQ-JISJETCLSA-N 1 0 418.541 2.581 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1c(C)cccc1C ZINC000792741908 1077981932 /nfs/dbraw/zinc/98/19/32/1077981932.db2.gz FBQCWOONURTLKP-QZTJIDSGSA-N 1 0 414.575 2.715 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)S/C1=N\[C@H](C)c1cccs1 ZINC000792748221 1077984159 /nfs/dbraw/zinc/98/41/59/1077984159.db2.gz UYVFSYVWUIKMTB-SVDUQUGFSA-N 1 0 420.604 2.589 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1cccc(C)c1 ZINC000792749440 1077984385 /nfs/dbraw/zinc/98/43/85/1077984385.db2.gz HEJWGYXNLHAWBB-RTBURBONSA-N 1 0 414.575 2.796 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cc(C)ccc1C ZINC000792750069 1077984650 /nfs/dbraw/zinc/98/46/50/1077984650.db2.gz IQTNBWCSFPKVDZ-IEBWSBKVSA-N 1 0 414.575 2.715 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(CC)cc1 ZINC000792748637 1077984700 /nfs/dbraw/zinc/98/47/00/1077984700.db2.gz OGUMOWWZTRLMFI-OALUTQOASA-N 1 0 414.575 2.660 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000792752643 1077985965 /nfs/dbraw/zinc/98/59/65/1077985965.db2.gz JXFNFLDGLAGKRP-CVEARBPZSA-N 1 0 406.577 2.549 20 30 HFEDRO C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000807338282 1080538510 /nfs/dbraw/zinc/53/85/10/1080538510.db2.gz FIWIGYIMEWJOFQ-OAQYLSRUSA-N 1 0 421.566 2.925 20 30 HFEDRO C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000807544711 1080761426 /nfs/dbraw/zinc/76/14/26/1080761426.db2.gz ZGTMKNVSEYBFHF-LPHOPBHVSA-N 1 0 409.461 2.555 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](NC(=O)c2ccc(OC)cc2)c2ccccc2)CC1 ZINC000747405552 1080797478 /nfs/dbraw/zinc/79/74/78/1080797478.db2.gz ZQQSAVYULJXCJZ-HSZRJFAPSA-N 1 0 419.525 2.770 20 30 HFEDRO C#CC[NH+]1CCC(C(=O)NC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 ZINC001130986930 1080815481 /nfs/dbraw/zinc/81/54/81/1080815481.db2.gz NFIOLOMUOKKPSX-QHCPKHFHSA-N 1 0 401.510 2.845 20 30 HFEDRO N#Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH2+]C[C@@]4(CO)C3)cnc2Cl)cc1 ZINC001164408247 718855163 /nfs/dbraw/zinc/85/51/63/718855163.db2.gz ROMJRYJFVGDTFH-LPHOPBHVSA-N 1 0 404.848 2.837 20 30 HFEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@H]4C[NH2+]C[C@]4(CO)C3)cc2c1Cl ZINC001164406209 718855170 /nfs/dbraw/zinc/85/51/70/718855170.db2.gz MYPDPJZUKMDKQQ-PIGZYNQJSA-N 1 0 413.255 2.976 20 30 HFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001164619204 719119680 /nfs/dbraw/zinc/11/96/80/719119680.db2.gz CYDUMDGZPKPCHF-AAEUAGOBSA-N 1 0 416.831 2.841 20 30 HFEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(Cl)nc1C#N)CC2 ZINC001164710697 720102057 /nfs/dbraw/zinc/10/20/57/720102057.db2.gz LEKIAIGZRXFXDG-KRWDZBQOSA-N 1 0 412.925 2.904 20 30 HFEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(CC#N)cc1Cl)CCC2 ZINC001164816309 720241238 /nfs/dbraw/zinc/24/12/38/720241238.db2.gz HUYWNNIREJTXQK-UHFFFAOYSA-N 1 0 400.914 2.608 20 30 HFEDRO N#Cc1ccc(-c2ccncc2)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880921 721136180 /nfs/dbraw/zinc/13/61/80/721136180.db2.gz XOTYTKQOAWVBAS-VXKWHMMOSA-N 1 0 412.497 2.890 20 30 HFEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc5c(cc4C#N)CCCC5)C3)O2)CC1 ZINC001164893053 721434309 /nfs/dbraw/zinc/43/43/09/721434309.db2.gz IVBCXMSJIQHOSI-XUZZJYLKSA-N 1 0 409.578 2.597 20 30 HFEDRO Cc1nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(Cl)cc1C#N ZINC001164885341 721451067 /nfs/dbraw/zinc/45/10/67/721451067.db2.gz DFBVQJOPKLEWRE-RXVVDRJESA-N 1 0 403.958 2.681 20 30 HFEDRO COC(=O)c1cc(C#N)cnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165030166 721829310 /nfs/dbraw/zinc/82/93/10/721829310.db2.gz YDIDZNGZJIWWMQ-YYWHXJBOSA-N 1 0 405.502 2.872 20 30 HFEDRO N#Cc1cc2c(nc1N1CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C1)CCCC2 ZINC001164983359 722139947 /nfs/dbraw/zinc/13/99/47/722139947.db2.gz UQJWDRMQKXJHST-OFNKIYASSA-N 1 0 403.530 2.954 20 30 HFEDRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cc(C#N)cc(Cl)n1)CCC2 ZINC001165001629 722254120 /nfs/dbraw/zinc/25/41/20/722254120.db2.gz DJYYLWCLYNSNNR-UHFFFAOYSA-N 1 0 424.883 2.837 20 30 HFEDRO C=CCn1c(=S)n(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1-c1cnccn1 ZINC000772829454 1078094502 /nfs/dbraw/zinc/09/45/02/1078094502.db2.gz SKIZLIUMPQYTAU-APWZRJJASA-N 1 0 411.579 2.963 20 30 HFEDRO C#C[C@H](CCC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(F)cc1 ZINC000790697220 1078098864 /nfs/dbraw/zinc/09/88/64/1078098864.db2.gz WBAZWSWZYBMPLO-QZTJIDSGSA-N 1 0 418.538 2.627 20 30 HFEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000793589503 1078217398 /nfs/dbraw/zinc/21/73/98/1078217398.db2.gz KPYYOPLYJSUDSC-WOJBJXKFSA-N 1 0 401.599 2.948 20 30 HFEDRO CC1CC[NH+]([C@H](CNC(=O)C(=O)NCc2cc(C#N)ccc2F)c2ccccc2)CC1 ZINC000793782885 1078293254 /nfs/dbraw/zinc/29/32/54/1078293254.db2.gz GSROXCZCXOIMSS-JOCHJYFZSA-N 1 0 422.504 2.903 20 30 HFEDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC001129808212 1078505626 /nfs/dbraw/zinc/50/56/26/1078505626.db2.gz KNDZQMVOQAICPH-UHFFFAOYSA-N 1 0 407.518 2.891 20 30 HFEDRO COCC[NH+](CCOC)C1CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000804626859 1078680090 /nfs/dbraw/zinc/68/00/90/1078680090.db2.gz UGUBVBMKISDBLU-UHFFFAOYSA-N 1 0 412.452 2.643 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccncc1 ZINC000804643505 1078693328 /nfs/dbraw/zinc/69/33/28/1078693328.db2.gz KMORVHYVECUZJV-NYVOZVTQSA-N 1 0 406.530 2.984 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccncc1 ZINC000804643506 1078693373 /nfs/dbraw/zinc/69/33/73/1078693373.db2.gz KMORVHYVECUZJV-QIJUGHKUSA-N 1 0 406.530 2.984 20 30 HFEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)CC1 ZINC000804890542 1078748494 /nfs/dbraw/zinc/74/84/94/1078748494.db2.gz RWOXNTLZRTUKKC-UHFFFAOYSA-N 1 0 424.545 2.641 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccncc1 ZINC000805810137 1079285089 /nfs/dbraw/zinc/28/50/89/1079285089.db2.gz AGNAYPGMYFYDJV-LAUBAEHRSA-N 1 0 407.518 2.552 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccncc1 ZINC000805808267 1079283702 /nfs/dbraw/zinc/28/37/02/1079283702.db2.gz DIMHCORPOZCZDB-RBUKOAKNSA-N 1 0 400.910 2.888 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC)c1ccncc1 ZINC000805808932 1079284686 /nfs/dbraw/zinc/28/46/86/1079284686.db2.gz KNBCYDDCDSSTOI-YADHBBJMSA-N 1 0 421.545 2.723 20 30 HFEDRO C[C@@H](NC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000787350302 1076791396 /nfs/dbraw/zinc/79/13/96/1076791396.db2.gz QSMIWJBKPLNLDQ-HOYKHHGWSA-N 1 0 404.514 2.764 20 30 HFEDRO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000788275536 1077095454 /nfs/dbraw/zinc/09/54/54/1077095454.db2.gz NLWOVYORNWFICO-NHCUHLMSSA-N 1 0 413.562 2.974 20 30 HFEDRO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)s1 ZINC000788573329 1077209831 /nfs/dbraw/zinc/20/98/31/1077209831.db2.gz OUBAUNOZPJQKMP-QZTJIDSGSA-N 1 0 408.527 2.646 20 30 HFEDRO C#CCn1ccc(CN(CC)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)n1 ZINC000789329924 1077522872 /nfs/dbraw/zinc/52/28/72/1077522872.db2.gz UDOGTLKVKRKNQP-UHFFFAOYSA-N 1 0 411.575 2.526 20 30 HFEDRO C#CCOc1ccccc1NC(=O)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792399976 1077835319 /nfs/dbraw/zinc/83/53/19/1077835319.db2.gz UETNRIFXZDGSRG-UHFFFAOYSA-N 1 0 423.435 2.559 20 30 HFEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792406080 1077838265 /nfs/dbraw/zinc/83/82/65/1077838265.db2.gz RSZFSBFTHQZXSD-RLLQIKCJSA-N 1 0 418.497 2.506 20 30 HFEDRO C[C@H](/N=C1/SC(CC(=O)NCCC[NH+](C)C)C(=O)N1[C@@H]1C[C@H]1C)c1cccs1 ZINC000790021220 1077916567 /nfs/dbraw/zinc/91/65/67/1077916567.db2.gz KINGWRFVXGUHQK-ZMZZPBNSSA-N 1 0 422.620 2.976 20 30 HFEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cc(N3CCS(=O)(=O)CC3)ccn2)CC1 ZINC001170373728 1077961450 /nfs/dbraw/zinc/96/14/50/1077961450.db2.gz JSNDDJULXHPJCQ-UHFFFAOYSA-N 1 0 424.570 2.810 20 30 HFEDRO C[NH+]1CCN(Cc2cn3c(n2)CN(C2CCC(C#N)(c4ccccc4)CC2)CC3)CC1 ZINC001170381489 1077963622 /nfs/dbraw/zinc/96/36/22/1077963622.db2.gz RGKPAMUYMIKIOF-UHFFFAOYSA-N 1 0 418.589 2.850 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccccc1C ZINC000792748911 1077984428 /nfs/dbraw/zinc/98/44/28/1077984428.db2.gz GTUJVXBMFYWCFO-HKUYNNGSSA-N 1 0 414.575 2.796 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(C)cc1C ZINC000792751417 1077985166 /nfs/dbraw/zinc/98/51/66/1077985166.db2.gz OQWUMHOFVBJTMG-MJGOQNOKSA-N 1 0 414.575 2.715 20 30 HFEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccccc2)C[C@H](O)c2cnn(CC)c2)CC1 ZINC000790303020 1077999469 /nfs/dbraw/zinc/99/94/69/1077999469.db2.gz PMHQPQIBQRSNLH-QFIPXVFZSA-N 1 0 411.550 2.799 20 30 HFEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(C)c(Br)n1)C(C)C ZINC000792955188 1078034830 /nfs/dbraw/zinc/03/48/30/1078034830.db2.gz SQZQOKGKRRXPIH-HNNXBMFYSA-N 1 0 423.355 2.906 20 30 HFEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC001130563036 1079516426 /nfs/dbraw/zinc/51/64/26/1079516426.db2.gz FNXXAPWHHTYMTG-UHFFFAOYSA-N 1 0 404.430 2.737 20 30 HFEDRO CN1c2ccccc2[C@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1=O ZINC001130563703 1079517821 /nfs/dbraw/zinc/51/78/21/1079517821.db2.gz ZMHKITSFQLWYAU-OAQYLSRUSA-N 1 0 402.498 2.789 20 30 HFEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001130609961 1079629346 /nfs/dbraw/zinc/62/93/46/1079629346.db2.gz OHXPSSVFPZPNMU-DEOSSOPVSA-N 1 0 416.529 2.931 20 30 HFEDRO C[NH+](C)CCCCCCCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000806865985 1080067519 /nfs/dbraw/zinc/06/75/19/1080067519.db2.gz GJWAUPOQPQZQQW-UHFFFAOYSA-N 1 0 409.328 2.888 20 30 HFEDRO CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000807109181 1080288488 /nfs/dbraw/zinc/28/84/88/1080288488.db2.gz CMSCZIFLYINFAI-MSOLQXFVSA-N 1 0 407.559 2.653 20 30 HFEDRO C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000807110115 1080289421 /nfs/dbraw/zinc/28/94/21/1080289421.db2.gz PZLVGAAUFKCCFW-KANFNMMFSA-N 1 0 415.538 2.736 20 30 HFEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807249120 1080405098 /nfs/dbraw/zinc/40/50/98/1080405098.db2.gz MPAVVGYMKKBJDD-KRWDZBQOSA-N 1 0 410.543 2.703 20 30 HFEDRO CC(C)[NH2+]C1CCN(C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000807249917 1080407412 /nfs/dbraw/zinc/40/74/12/1080407412.db2.gz LRYLCUVGFUDVKW-UHFFFAOYSA-N 1 0 410.543 2.892 20 30 HFEDRO C=CCOc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)cc1 ZINC000807287176 1080448900 /nfs/dbraw/zinc/44/89/00/1080448900.db2.gz DJOFQEDBQQEVDA-UHFFFAOYSA-N 1 0 422.529 2.648 20 30 HFEDRO N#CCOc1cccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000807354731 1080516832 /nfs/dbraw/zinc/51/68/32/1080516832.db2.gz HXVFIMLRCLICTL-XMMPIXPASA-N 1 0 418.497 2.652 20 30 HFEDRO C#C[C@@H](NC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1OC)c1ccc(Cl)cc1F ZINC000807327990 1080526022 /nfs/dbraw/zinc/52/60/22/1080526022.db2.gz FHFPMPGHKCDRGR-QGZVFWFLSA-N 1 0 417.868 2.979 20 30 HFEDRO C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000807405496 1080601009 /nfs/dbraw/zinc/60/10/09/1080601009.db2.gz BIHYSRPQXPGJTQ-UHFFFAOYSA-N 1 0 413.905 2.881 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000747405045 1080786525 /nfs/dbraw/zinc/78/65/25/1080786525.db2.gz SOYNQPQJQFIDMD-UHFFFAOYSA-N 1 0 420.473 2.589 20 30 HFEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3[nH]cc(C#N)c31)CC2 ZINC001164709966 720093765 /nfs/dbraw/zinc/09/37/65/720093765.db2.gz DOGRDRWKEUGXFY-LJQANCHMSA-N 1 0 417.517 2.732 20 30 HFEDRO CCOC(=O)c1cc(C)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c1C#N ZINC001164813146 720093991 /nfs/dbraw/zinc/09/39/91/720093991.db2.gz SSVDQTNNSFKFNA-JPYJTQIMSA-N 1 0 412.534 2.623 20 30 HFEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C#N)c3ccccc3n1)CCC2 ZINC001164813931 720235887 /nfs/dbraw/zinc/23/58/87/720235887.db2.gz RVKKVLRYODJJNI-UHFFFAOYSA-N 1 0 402.502 2.914 20 30 HFEDRO N#Cc1cc(F)c(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741716 720810431 /nfs/dbraw/zinc/81/04/31/720810431.db2.gz BQBGQFZYOINXTI-LZLYRXPVSA-N 1 0 415.904 2.717 20 30 HFEDRO Cc1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C#N ZINC001164743938 720812328 /nfs/dbraw/zinc/81/23/28/720812328.db2.gz GZMWRCAHVHYKHQ-YQVWRLOYSA-N 1 0 411.941 2.886 20 30 HFEDRO Cc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C#N)n1 ZINC001164752098 720905159 /nfs/dbraw/zinc/90/51/59/720905159.db2.gz NCYVYRHSBOIQAL-ZJSXRUAMSA-N 1 0 418.545 2.807 20 30 HFEDRO Cc1nc(C#N)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754243 720936613 /nfs/dbraw/zinc/93/66/13/720936613.db2.gz VFDYTRXBBWITKZ-URXFXBBRSA-N 1 0 418.545 2.807 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccnc(Cl)c4C#N)C[C@H]3C2)cn1 ZINC001164765902 721083984 /nfs/dbraw/zinc/08/39/84/721083984.db2.gz KDTYEXZREUJICB-HUUCEWRRSA-N 1 0 406.868 2.843 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(C#N)c5cc([N+](=O)[O-])ccc5n4)C[C@@H]3C2)cn1 ZINC001164761011 721237003 /nfs/dbraw/zinc/23/70/03/721237003.db2.gz HATIGMGRQSEYFM-AEFFLSMTSA-N 1 0 417.473 2.706 20 30 HFEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nccc5ccc(C#N)cc54)C3)O2)CC1 ZINC001164886132 721404207 /nfs/dbraw/zinc/40/42/07/721404207.db2.gz HVESEXSGDFFCFK-XUZZJYLKSA-N 1 0 405.546 2.872 20 30 HFEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc5c(c4C#N)CCCC5)C3)O2)CC1 ZINC001164891144 721451517 /nfs/dbraw/zinc/45/15/17/721451517.db2.gz UGDRHNANJVNGGI-HYBUGGRVSA-N 1 0 409.578 2.597 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(Cl)nc1C#N)CC2 ZINC001164788741 721453966 /nfs/dbraw/zinc/45/39/66/721453966.db2.gz TZWYJGBYEGNJFN-QGZVFWFLSA-N 1 0 419.957 2.736 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(OC)c1C#N)CC2 ZINC001164786908 721457389 /nfs/dbraw/zinc/45/73/89/721457389.db2.gz QMLIYAOEMBWVDM-LJQANCHMSA-N 1 0 414.550 2.696 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OC)cc(C#N)n1)CC2 ZINC001164785752 721461043 /nfs/dbraw/zinc/46/10/43/721461043.db2.gz NGCHOHUDGPVOAL-HXUWFJFHSA-N 1 0 414.550 2.696 20 30 HFEDRO COC(=O)c1cc(C#N)cnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165030163 721829252 /nfs/dbraw/zinc/82/92/52/721829252.db2.gz YDIDZNGZJIWWMQ-DZFGPLHGSA-N 1 0 405.502 2.872 20 30 HFEDRO N#Cc1cc2c(nc1N1CCC3(CC1)COCC[N@H+](Cc1ccncc1)C3)CCC2 ZINC001164962334 722060033 /nfs/dbraw/zinc/06/00/33/722060033.db2.gz RBXHNWYSLVDWRA-UHFFFAOYSA-N 1 0 403.530 2.956 20 30 HFEDRO C=CC[C@@]1(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790648444 1078093536 /nfs/dbraw/zinc/09/35/36/1078093536.db2.gz YKQMFWBWAIDVLC-XXBNENTESA-N 1 0 420.598 2.571 20 30 HFEDRO C=CCn1c(=S)n(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1-c1cnccn1 ZINC000772829460 1078094571 /nfs/dbraw/zinc/09/45/71/1078094571.db2.gz SKIZLIUMPQYTAU-VQIMIIECSA-N 1 0 411.579 2.963 20 30 HFEDRO C#C[C@H](CCC)N1C(=O)[C@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccccc1 ZINC000790699909 1078099660 /nfs/dbraw/zinc/09/96/60/1078099660.db2.gz SUECSVCZUCYEHF-MOPGFXCFSA-N 1 0 414.575 2.878 20 30 HFEDRO CC(C)=CCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(F)cc1F ZINC000790702790 1078100360 /nfs/dbraw/zinc/10/03/60/1078100360.db2.gz VCVBWHCKYVNNEN-QGZVFWFLSA-N 1 0 424.517 2.930 20 30 HFEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000793589498 1078217045 /nfs/dbraw/zinc/21/70/45/1078217045.db2.gz KPYYOPLYJSUDSC-VQTJNVASSA-N 1 0 401.599 2.948 20 30 HFEDRO C=CCOc1ccc(/C=C\C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1OC ZINC000747150315 1078323818 /nfs/dbraw/zinc/32/38/18/1078323818.db2.gz OQKISNWDNUQBQB-IFNYERTRSA-N 1 0 400.519 2.983 20 30 HFEDRO N#Cc1ccc(CC(=O)N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)cn1 ZINC001129612107 1078618344 /nfs/dbraw/zinc/61/83/44/1078618344.db2.gz SZCVJWKNWPJUDU-UHFFFAOYSA-N 1 0 423.948 2.962 20 30 HFEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000804891282 1078749815 /nfs/dbraw/zinc/74/98/15/1078749815.db2.gz JOKSOLFNPHYFRZ-INIZCTEOSA-N 1 0 409.452 2.788 20 30 HFEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000804894862 1078751454 /nfs/dbraw/zinc/75/14/54/1078751454.db2.gz BOMHDEILJDMSHG-AWEZNQCLSA-N 1 0 413.440 2.919 20 30 HFEDRO C#C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)cc1F ZINC000804900526 1078755317 /nfs/dbraw/zinc/75/53/17/1078755317.db2.gz WTSRRPXVDNQJFM-LJQANCHMSA-N 1 0 415.900 2.800 20 30 HFEDRO COc1ccc(CNC(=O)C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1C#N ZINC000804943616 1078770653 /nfs/dbraw/zinc/77/06/53/1078770653.db2.gz LWRWTTTUPSPURY-KRWDZBQOSA-N 1 0 420.513 2.525 20 30 HFEDRO C#C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1F ZINC000805779311 1079249690 /nfs/dbraw/zinc/24/96/90/1079249690.db2.gz UIEVTDOPHGJRPD-IHBAFOEMSA-N 1 0 420.916 2.536 20 30 HFEDRO COC(=O)c1ccc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)cc1CC#N ZINC001170496017 1079393694 /nfs/dbraw/zinc/39/36/94/1079393694.db2.gz JCCVLCLYVNTXAW-WWDZGPRUSA-N 1 0 420.513 2.911 20 30 HFEDRO C=CC[NH+]1CCC(NC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787330602 1076742766 /nfs/dbraw/zinc/74/27/66/1076742766.db2.gz ZUFKKVBKAZPQHL-OAHLLOKOSA-N 1 0 403.527 2.514 20 30 HFEDRO COc1ccc(OC)c([C@H](O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000788507783 1077186339 /nfs/dbraw/zinc/18/63/39/1077186339.db2.gz OYYKEUMUJZZAAE-HXUWFJFHSA-N 1 0 407.474 2.699 20 30 HFEDRO C#CCOc1ccccc1C[NH2+]C[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000788530011 1077203870 /nfs/dbraw/zinc/20/38/70/1077203870.db2.gz UYZSWODHYGJQEH-OAQYLSRUSA-N 1 0 410.489 2.645 20 30 HFEDRO CCOC(=O)C1([C@H](C)[NH2+]C2CCN(CC#N)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788594640 1077216723 /nfs/dbraw/zinc/21/67/23/1077216723.db2.gz NYUAWURTUFSOCE-KRWDZBQOSA-N 1 0 422.570 2.533 20 30 HFEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)C1CC1 ZINC000788640679 1077243885 /nfs/dbraw/zinc/24/38/85/1077243885.db2.gz BSNSHMZSMIKLPF-LGCYAQKOSA-N 1 0 418.538 2.671 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)n1 ZINC000788991060 1077375218 /nfs/dbraw/zinc/37/52/18/1077375218.db2.gz WIHISSZYKVPRRR-QFIPXVFZSA-N 1 0 415.582 2.719 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](CC)C2)n1 ZINC000788997911 1077377011 /nfs/dbraw/zinc/37/70/11/1077377011.db2.gz RYQHQQHXUFZUNC-LJQANCHMSA-N 1 0 403.571 2.575 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)n1 ZINC000789021680 1077387160 /nfs/dbraw/zinc/38/71/60/1077387160.db2.gz NNZWPUVOZTWGJY-HSZRJFAPSA-N 1 0 423.561 2.902 20 30 HFEDRO COc1cccc(C2=NO[C@@H](C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)C2)c1 ZINC000791517333 1077452923 /nfs/dbraw/zinc/45/29/23/1077452923.db2.gz XCBRYLFFCIIAMS-JOCHJYFZSA-N 1 0 406.486 2.650 20 30 HFEDRO CCCCCCCCn1nc(C)c(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)c1C ZINC000772737129 1077565352 /nfs/dbraw/zinc/56/53/52/1077565352.db2.gz RNDBGXUPYCCEDJ-UHFFFAOYSA-N 1 0 414.616 2.595 20 30 HFEDRO CN(C(=O)C(=O)Nc1cccc(OCC#N)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746808393 1077566110 /nfs/dbraw/zinc/56/61/10/1077566110.db2.gz UQDIYOBLBVSWJI-HXUWFJFHSA-N 1 0 406.486 2.650 20 30 HFEDRO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000789731789 1077742423 /nfs/dbraw/zinc/74/24/23/1077742423.db2.gz KYKDLHMBDCLHHG-NRFANRHFSA-N 1 0 405.506 2.538 20 30 HFEDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)cn1 ZINC000789738634 1077773914 /nfs/dbraw/zinc/77/39/14/1077773914.db2.gz FZHRKGKJYGBHBG-NHCUHLMSSA-N 1 0 405.506 2.680 20 30 HFEDRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CC(=O)N[C@@](C)(C#N)C1CC1)CC2 ZINC000792326100 1077807605 /nfs/dbraw/zinc/80/76/05/1077807605.db2.gz HHCULRLJMCIWLA-NRFANRHFSA-N 1 0 404.555 2.908 20 30 HFEDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ncc3c(c2C#N)N(Cc2ccccc2)CC3)O1 ZINC001170276569 1077920311 /nfs/dbraw/zinc/92/03/11/1077920311.db2.gz DNLVWDLVNMIILI-VIZSFHNOSA-N 1 0 407.518 2.653 20 30 HFEDRO CCOC(=O)c1ccc(OC(=O)CCCCCNC(=[NH2+])Nc2ccnc(C#N)n2)cc1 ZINC001170270109 1077923752 /nfs/dbraw/zinc/92/37/52/1077923752.db2.gz TVNBAGAJXJZLLX-UHFFFAOYSA-N 1 0 424.461 2.627 20 30 HFEDRO N#CC1(c2ccccc2)CCC([N@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001170384443 1077956244 /nfs/dbraw/zinc/95/62/44/1077956244.db2.gz YABLRYKOKOCAOT-CEDMTORYSA-N 1 0 423.557 2.586 20 30 HFEDRO CN(C)C(=O)C1([NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCCCC1 ZINC001170378263 1077962922 /nfs/dbraw/zinc/96/29/22/1077962922.db2.gz XYQSELZIGADINC-UHFFFAOYSA-N 1 0 409.452 2.554 20 30 HFEDRO N#CC1(c2ccccc2)CCC([NH+]2CC(N3CCN(c4ncccn4)CC3)C2)CC1 ZINC001170378660 1077963159 /nfs/dbraw/zinc/96/31/59/1077963159.db2.gz HLTBJCSCROAREM-UHFFFAOYSA-N 1 0 402.546 2.687 20 30 HFEDRO CNC(=O)CN1CCOC[C@]2(CCC[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C2)C1 ZINC001170383429 1077964293 /nfs/dbraw/zinc/96/42/93/1077964293.db2.gz LOVFKXFKBDVCDD-KWKWTDQQSA-N 1 0 424.589 2.551 20 30 HFEDRO CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170382606 1077964301 /nfs/dbraw/zinc/96/43/01/1077964301.db2.gz BPBBKQLHZIASHV-KGLJTUJHSA-N 1 0 411.546 2.777 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cccc(C)c1C ZINC000792747486 1077983303 /nfs/dbraw/zinc/98/33/03/1077983303.db2.gz AAGKVEMOBUJSAF-MJGOQNOKSA-N 1 0 414.575 2.715 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccccc1F ZINC000792748317 1077983849 /nfs/dbraw/zinc/98/38/49/1077983849.db2.gz CJFRENXGMSKGOI-QAPCUYQASA-N 1 0 418.538 2.627 20 30 HFEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(Cl)cc2I)CC1 ZINC000772753063 1077995168 /nfs/dbraw/zinc/99/51/68/1077995168.db2.gz TUJAKMOJWNDNFK-UHFFFAOYSA-N 1 0 416.690 2.906 20 30 HFEDRO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(-n3ccnc3)cc2)cc1 ZINC000806457199 1079727237 /nfs/dbraw/zinc/72/72/37/1079727237.db2.gz GOIAKJYHRGNDEO-OAHLLOKOSA-N 1 0 409.471 2.880 20 30 HFEDRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCc1ccc(OCC#N)cc1 ZINC000806715720 1079942052 /nfs/dbraw/zinc/94/20/52/1079942052.db2.gz LDXRIGVPSWNFIX-UHFFFAOYSA-N 1 0 421.545 2.548 20 30 HFEDRO N#CCOc1ccc(CC(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001130733001 1079970886 /nfs/dbraw/zinc/97/08/86/1079970886.db2.gz HHNRATBFZBNPBJ-GOTSBHOMSA-N 1 0 405.498 2.633 20 30 HFEDRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC[N@@H+]1C ZINC000807250380 1080410128 /nfs/dbraw/zinc/41/01/28/1080410128.db2.gz ZCYLIOXKPWCJLT-YJBOKZPZSA-N 1 0 410.543 2.844 20 30 HFEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N)c1ccco1 ZINC000807310583 1080505379 /nfs/dbraw/zinc/50/53/79/1080505379.db2.gz NLUOIBIQJYZNRT-BBRMVZONSA-N 1 0 402.426 2.505 20 30 HFEDRO CCOC(=O)C1C[N@H+](Cc2ccccc2)CCC1=Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC001170521925 1080513684 /nfs/dbraw/zinc/51/36/84/1080513684.db2.gz PJABLSUMMYGDIO-UHFFFAOYSA-N 1 0 407.430 2.996 20 30 HFEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000807336743 1080536919 /nfs/dbraw/zinc/53/69/19/1080536919.db2.gz KFHDIWFMIDWPOZ-FQEVSTJZSA-N 1 0 407.514 2.625 20 30 HFEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000807338035 1080539346 /nfs/dbraw/zinc/53/93/46/1080539346.db2.gz BAXPJGMMVGGBSB-RXVVDRJESA-N 1 0 405.498 2.761 20 30 HFEDRO C#C[C@@H](NC(=O)C(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000807536782 1080752335 /nfs/dbraw/zinc/75/23/35/1080752335.db2.gz ZVVJRVALLXEMRS-VQTJNVASSA-N 1 0 421.545 2.741 20 30 HFEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 ZINC001130986929 1080815549 /nfs/dbraw/zinc/81/55/49/1080815549.db2.gz NFIOLOMUOKKPSX-HSZRJFAPSA-N 1 0 401.510 2.845 20 30 HFEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)cc2c1Cl ZINC001164406205 718855055 /nfs/dbraw/zinc/85/50/55/718855055.db2.gz MYPDPJZUKMDKQQ-DIFFPNOSSA-N 1 0 413.255 2.976 20 30 HFEDRO Cc1cc(Cl)nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C#N ZINC001164826665 720294584 /nfs/dbraw/zinc/29/45/84/720294584.db2.gz WDQKSXSLSYLFLT-ROUUACIJSA-N 1 0 401.942 2.827 20 30 HFEDRO CSc1nc(Cl)c(C=NO)c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729250 720356291 /nfs/dbraw/zinc/35/62/91/720356291.db2.gz XQKBLNOGZZCCPB-GJZGRUSLSA-N 1 0 404.927 2.908 20 30 HFEDRO Cc1c(Cl)c(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1C#N ZINC001164743626 720648559 /nfs/dbraw/zinc/64/85/59/720648559.db2.gz PRQHJZXERVWYSF-OLZOCXBDSA-N 1 0 405.289 2.700 20 30 HFEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4ccccc4c(Cl)c3C#N)CC[C@H]2C1 ZINC001164864458 720873291 /nfs/dbraw/zinc/87/32/91/720873291.db2.gz VUESBOHPDLNBJR-KXBFYZLASA-N 1 0 400.910 2.933 20 30 HFEDRO Cc1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1C#N ZINC001164885031 721385235 /nfs/dbraw/zinc/38/52/35/721385235.db2.gz BXEJHKVQYIDSBU-DYESRHJHSA-N 1 0 403.958 2.681 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)ncc1C#N)CC2 ZINC001164784253 721454814 /nfs/dbraw/zinc/45/48/14/721454814.db2.gz DPUABXDASFVOHF-SFHVURJKSA-N 1 0 419.957 2.736 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(C#N)c1F)CC2 ZINC001164784223 721459552 /nfs/dbraw/zinc/45/95/52/721459552.db2.gz HFJWGDBRHNHLSU-IBGZPJMESA-N 1 0 402.514 2.826 20 30 HFEDRO CCc1nc(C#N)c(C#N)nc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165029741 721844851 /nfs/dbraw/zinc/84/48/51/721844851.db2.gz BDEZLRASVMZHFW-UHFFFAOYSA-N 1 0 420.517 2.900 20 30 HFEDRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000790597849 1078064053 /nfs/dbraw/zinc/06/40/53/1078064053.db2.gz UWGBMXYENLFHFX-UHFFFAOYSA-N 1 0 417.431 2.665 20 30 HFEDRO C=CC[C@]1(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000790629490 1078067801 /nfs/dbraw/zinc/06/78/01/1078067801.db2.gz OJNGRSZUSUKTDM-FDDCHVKYSA-N 1 0 420.598 2.617 20 30 HFEDRO C[C@@H](CNC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[NH+]1CCCCC1 ZINC000793707140 1078276914 /nfs/dbraw/zinc/27/69/14/1078276914.db2.gz DTJVVDJDSDZYMG-INIZCTEOSA-N 1 0 410.543 2.894 20 30 HFEDRO CON=Cc1ccc(C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000804446493 1078513612 /nfs/dbraw/zinc/51/36/12/1078513612.db2.gz IMFPTFDRPZEVEM-QHCPKHFHSA-N 1 0 406.530 2.699 20 30 HFEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC ZINC001170452226 1078519390 /nfs/dbraw/zinc/51/93/90/1078519390.db2.gz SUKLRDDAUDHOLV-NRFANRHFSA-N 1 0 421.563 2.590 20 30 HFEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CC(C)C)C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000804897950 1078754438 /nfs/dbraw/zinc/75/44/38/1078754438.db2.gz DHVJNYQFJGLBTO-OAQYLSRUSA-N 1 0 419.541 2.500 20 30 HFEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@]2(COC)CCCN2C(=O)OC(C)(C)C)CC1 ZINC000805081139 1078912466 /nfs/dbraw/zinc/91/24/66/1078912466.db2.gz TZLAHNPUXHEDCT-JOCHJYFZSA-N 1 0 424.586 2.742 20 30 HFEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C ZINC000747230384 1078947575 /nfs/dbraw/zinc/94/75/75/1078947575.db2.gz RFANTDPGSQBCQI-WOJBJXKFSA-N 1 0 407.518 2.674 20 30 HFEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C ZINC000747230382 1078947622 /nfs/dbraw/zinc/94/76/22/1078947622.db2.gz RFANTDPGSQBCQI-UXHICEINSA-N 1 0 407.518 2.674 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805805792 1079281816 /nfs/dbraw/zinc/28/18/16/1079281816.db2.gz FFRSUBIEROAAGZ-QPPBQGQZSA-N 1 0 406.530 2.843 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccncc1 ZINC000805808266 1079283795 /nfs/dbraw/zinc/28/37/95/1079283795.db2.gz DIMHCORPOZCZDB-OALUTQOASA-N 1 0 400.910 2.888 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1ccncc1 ZINC000805812051 1079286936 /nfs/dbraw/zinc/28/69/36/1079286936.db2.gz YJWQGBBVYOHAFH-QFIPXVFZSA-N 1 0 406.530 2.938 20 30 HFEDRO N#CCOc1cccc(CC(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001130528510 1079465015 /nfs/dbraw/zinc/46/50/15/1079465015.db2.gz NQTBZKGNSFLKNH-DHIUTWEWSA-N 1 0 405.498 2.633 20 30 HFEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787327606 1076770626 /nfs/dbraw/zinc/77/06/26/1076770626.db2.gz IVCWIICENHCSMF-MRXNPFEDSA-N 1 0 417.554 2.904 20 30 HFEDRO Cc1nn(C)c(N2CC[NH+](CCC3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1C#N ZINC000788268602 1077093689 /nfs/dbraw/zinc/09/36/89/1077093689.db2.gz GQXYLYXLMMHTEC-UHFFFAOYSA-N 1 0 416.570 2.759 20 30 HFEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000788749135 1077289738 /nfs/dbraw/zinc/28/97/38/1077289738.db2.gz YRXPVHLBABLNSA-IBGZPJMESA-N 1 0 412.534 2.705 20 30 HFEDRO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)c2)s1 ZINC000788801756 1077292898 /nfs/dbraw/zinc/29/28/98/1077292898.db2.gz ZLUWINCDCLOFBZ-INIZCTEOSA-N 1 0 408.527 2.503 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000789165686 1077440653 /nfs/dbraw/zinc/44/06/53/1077440653.db2.gz ACXSCCNKCDTFJS-RBBKRZOGSA-N 1 0 423.561 2.585 20 30 HFEDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)cn1 ZINC000789738636 1077773963 /nfs/dbraw/zinc/77/39/63/1077773963.db2.gz FZHRKGKJYGBHBG-SFTDATJTSA-N 1 0 405.506 2.680 20 30 HFEDRO CC[NH+](CC)CCOC(=O)c1cccc(NS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000789750974 1077782568 /nfs/dbraw/zinc/78/25/68/1077782568.db2.gz XDBXHKLSCHIGOU-UHFFFAOYSA-N 1 0 401.488 2.858 20 30 HFEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792368100 1077817933 /nfs/dbraw/zinc/81/79/33/1077817933.db2.gz ITYMNBUNRZGAIS-MJGOQNOKSA-N 1 0 406.486 2.554 20 30 HFEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792368099 1077817969 /nfs/dbraw/zinc/81/79/69/1077817969.db2.gz ITYMNBUNRZGAIS-IEBWSBKVSA-N 1 0 406.486 2.554 20 30 HFEDRO COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)c1 ZINC000792397483 1077834333 /nfs/dbraw/zinc/83/43/33/1077834333.db2.gz LGZDBBNZEGOLLM-QGZVFWFLSA-N 1 0 424.501 2.515 20 30 HFEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC001170183290 1077903349 /nfs/dbraw/zinc/90/33/49/1077903349.db2.gz FOIZCBMXDQTFLH-XZOQPEGZSA-N 1 0 421.541 2.901 20 30 HFEDRO C=CC[NH+](CC=C)CCN1CCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170355017 1077949040 /nfs/dbraw/zinc/94/90/40/1077949040.db2.gz UQJOVLRGEZAJJP-LJQANCHMSA-N 1 0 402.539 2.826 20 30 HFEDRO N#CC1(c2ccccc2)CCC([NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)CC1 ZINC001170389191 1077957885 /nfs/dbraw/zinc/95/78/85/1077957885.db2.gz MGLUNSADFLUGBE-UHFFFAOYSA-N 1 0 401.576 2.585 20 30 HFEDRO C=CC[C@]1(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCCN1C(=O)OC(C)(C)C ZINC000790219881 1077972860 /nfs/dbraw/zinc/97/28/60/1077972860.db2.gz NLGNEEKVKMFHCZ-PGRDOPGGSA-N 1 0 409.571 2.805 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cccc(C)c1C ZINC000792747483 1077983239 /nfs/dbraw/zinc/98/32/39/1077983239.db2.gz AAGKVEMOBUJSAF-IEBWSBKVSA-N 1 0 414.575 2.715 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cccc(Cl)c1 ZINC000792747372 1077983270 /nfs/dbraw/zinc/98/32/70/1077983270.db2.gz JSEAWTSNTJSXRI-DLBZAZTESA-N 1 0 420.966 2.751 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cccc(Cl)c1 ZINC000792747377 1077983326 /nfs/dbraw/zinc/98/33/26/1077983326.db2.gz JSEAWTSNTJSXRI-IRXDYDNUSA-N 1 0 420.966 2.751 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cc(C)cc(C)c1 ZINC000792747345 1077983637 /nfs/dbraw/zinc/98/36/37/1077983637.db2.gz JQQSKPKKTBDBQE-OALUTQOASA-N 1 0 414.575 2.715 20 30 HFEDRO CC(C)Oc1ccc([C@@H](CNC(=O)NCCNc2ccc(C#N)cn2)[NH+](C)C)cc1 ZINC000806412912 1079661019 /nfs/dbraw/zinc/66/10/19/1079661019.db2.gz WAMIMDVUGZEGEF-HXUWFJFHSA-N 1 0 410.522 2.754 20 30 HFEDRO N#CCOc1ccc(CC(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001130733003 1079970955 /nfs/dbraw/zinc/97/09/55/1079970955.db2.gz HHNRATBFZBNPBJ-XZOQPEGZSA-N 1 0 405.498 2.633 20 30 HFEDRO C#CCN(Cc1ccccc1)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000806761767 1079982001 /nfs/dbraw/zinc/98/20/01/1079982001.db2.gz LUNLWJVMRUDVPV-QHCPKHFHSA-N 1 0 418.541 2.729 20 30 HFEDRO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)c2)s1 ZINC000807249088 1080405183 /nfs/dbraw/zinc/40/51/83/1080405183.db2.gz LNAJXDMYRMBLMB-LJQANCHMSA-N 1 0 422.554 2.990 20 30 HFEDRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000807250177 1080406859 /nfs/dbraw/zinc/40/68/59/1080406859.db2.gz TXLUPBQSPLNNII-UHFFFAOYSA-N 1 0 410.543 2.846 20 30 HFEDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000807249858 1080407448 /nfs/dbraw/zinc/40/74/48/1080407448.db2.gz JPLYJCGBDNGSOU-GOSISDBHSA-N 1 0 410.543 2.892 20 30 HFEDRO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CC[NH+](C4CCCC4)CC3)c2)s1 ZINC000807249635 1080408834 /nfs/dbraw/zinc/40/88/34/1080408834.db2.gz AZTAMVMJBFPIRI-UHFFFAOYSA-N 1 0 422.554 2.990 20 30 HFEDRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCc2cc(C#N)ccc2F)[C@@H]1c1cccs1 ZINC000807582969 1080795450 /nfs/dbraw/zinc/79/54/50/1080795450.db2.gz XIFXSGBPXWWKOV-DNVCBOLYSA-N 1 0 414.506 2.574 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](NC(=O)c2ccc(OC)cc2)c2ccccc2)CC1 ZINC000747405556 1080797996 /nfs/dbraw/zinc/79/79/96/1080797996.db2.gz ZQQSAVYULJXCJZ-QHCPKHFHSA-N 1 0 419.525 2.770 20 30 HFEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(SC)nc(Cl)c1C#N)C2 ZINC001164813700 720066258 /nfs/dbraw/zinc/06/62/58/720066258.db2.gz VIUIXBCRKSUCRD-KUHUBIRLSA-N 1 0 407.971 2.908 20 30 HFEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164733421 720464929 /nfs/dbraw/zinc/46/49/29/720464929.db2.gz PLCKWQYTZREYBM-GUDVDZBRSA-N 1 0 420.517 2.674 20 30 HFEDRO N#Cc1c(Cl)c2ccccc2nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746341 720753958 /nfs/dbraw/zinc/75/39/58/720753958.db2.gz XORPHNWLMPVUMU-LSDHHAIUSA-N 1 0 406.877 2.892 20 30 HFEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(F)cc4)ccc3C#N)CC[C@@H]2C1 ZINC001164852983 720836165 /nfs/dbraw/zinc/83/61/65/720836165.db2.gz MVFBQHSUKWBFNW-DENIHFKCSA-N 1 0 410.493 2.933 20 30 HFEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc([C@H](C#N)c4ccc(C)cc4)nn3)CC[C@H]2C1 ZINC001164854785 720836967 /nfs/dbraw/zinc/83/69/67/720836967.db2.gz SHMPPQQGLSPNJW-QZNHQXDQSA-N 1 0 421.545 2.614 20 30 HFEDRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(C#N)c4cc(Cl)ccc4n3)CC[C@H]2C1 ZINC001164860804 720886859 /nfs/dbraw/zinc/88/68/59/720886859.db2.gz PEAHJJLXKICGDY-YWZLYKJASA-N 1 0 400.910 2.933 20 30 HFEDRO Cc1nc(C#N)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754245 720935909 /nfs/dbraw/zinc/93/59/09/720935909.db2.gz VFDYTRXBBWITKZ-ZJSXRUAMSA-N 1 0 418.545 2.807 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4c(C#N)cnc5cnc(Cl)cc54)C[C@H]3C2)cn1 ZINC001164774297 721086824 /nfs/dbraw/zinc/08/68/24/721086824.db2.gz ZRRFTWLIOMGMSK-DOTOQJQBSA-N 1 0 407.909 2.847 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc(C#N)c4)C[C@@H]3C2)cn1 ZINC001164773267 721124521 /nfs/dbraw/zinc/12/45/21/721124521.db2.gz XQDQMMLRGYVANP-GJZGRUSLSA-N 1 0 406.868 2.843 20 30 HFEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(C5(C#N)CCC5)cn4)C3)O2)CC1 ZINC001164883592 721411312 /nfs/dbraw/zinc/41/13/12/721411312.db2.gz BEDWCIDMUODPKY-XUZZJYLKSA-N 1 0 409.578 2.792 20 30 HFEDRO N#Cc1cc(C#N)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164981596 722116299 /nfs/dbraw/zinc/11/62/99/722116299.db2.gz UPMQZFDHYQOJTD-VQIMIIECSA-N 1 0 408.893 2.601 20 30 HFEDRO N#Cc1cc2c(nc1N1CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C1)CCCC2 ZINC001164983361 722139883 /nfs/dbraw/zinc/13/98/83/722139883.db2.gz UQJWDRMQKXJHST-REWPJTCUSA-N 1 0 403.530 2.954 20 30 HFEDRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(C#C[Si](C)(C)C)ccn1)CCC2 ZINC001165004399 722257853 /nfs/dbraw/zinc/25/78/53/722257853.db2.gz QWIZZALPJRSSIF-UHFFFAOYSA-N 1 0 411.626 2.996 20 30 HFEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000793068590 1078061444 /nfs/dbraw/zinc/06/14/44/1078061444.db2.gz SQSNOTMDQXMNAM-CYBMUJFWSA-N 1 0 407.317 2.803 20 30 HFEDRO C=CC[C@@]1(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790654853 1078094646 /nfs/dbraw/zinc/09/46/46/1078094646.db2.gz IEYZWBZCRFBWRZ-JPYJTQIMSA-N 1 0 421.582 2.949 20 30 HFEDRO CC(N=Nc1ccccc1S(=O)(=O)N(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000793193460 1078097754 /nfs/dbraw/zinc/09/77/54/1078097754.db2.gz KUBYLVOVTXWKQS-UHFFFAOYSA-N 1 0 404.536 2.713 20 30 HFEDRO C#C[C@@H](CCC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1C ZINC000790697320 1078098974 /nfs/dbraw/zinc/09/89/74/1078098974.db2.gz ISPWRWKRQAJISI-PKOBYXMFSA-N 1 0 414.575 2.796 20 30 HFEDRO CN(C(=O)c1ccc(NCc2cnc3ccc(C#N)cn23)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000793604326 1078221648 /nfs/dbraw/zinc/22/16/48/1078221648.db2.gz FOQJLIKTQFOLEW-HXUWFJFHSA-N 1 0 402.502 2.984 20 30 HFEDRO C#C[C@H](NC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1)c1ccc(Cl)cc1F ZINC000804419399 1078468540 /nfs/dbraw/zinc/46/85/40/1078468540.db2.gz MCVDDYJMQHTMLZ-OGWOLHLISA-N 1 0 405.901 2.602 20 30 HFEDRO CCN(C)C(=O)[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)C(C)C ZINC001170459889 1078669047 /nfs/dbraw/zinc/66/90/47/1078669047.db2.gz KEDJCMZEGVOAAV-NRFANRHFSA-N 1 0 409.534 2.997 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000805199374 1078952637 /nfs/dbraw/zinc/95/26/37/1078952637.db2.gz YXYQHXKYBMWCNI-URXFXBBRSA-N 1 0 406.530 2.986 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000805808626 1079283827 /nfs/dbraw/zinc/28/38/27/1079283827.db2.gz HXPMQCXSOACECQ-SIKLNZKXSA-N 1 0 406.530 2.938 20 30 HFEDRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cnc4ccc(C#N)cc4n3)cc2)CC1 ZINC001170489679 1079294673 /nfs/dbraw/zinc/29/46/73/1079294673.db2.gz KYQPCFCSONISEQ-FAEJEUNOSA-N 1 0 400.486 2.873 20 30 HFEDRO C=CCCN(OCc1ccccc1)C(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000787434664 1076822779 /nfs/dbraw/zinc/82/27/79/1076822779.db2.gz SPMXLOBODNVVBP-UHFFFAOYSA-N 1 0 422.529 2.699 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1ccncc1 ZINC000787623464 1076882401 /nfs/dbraw/zinc/88/24/01/1076882401.db2.gz ADZZICCMCRTQIY-OAQYLSRUSA-N 1 0 406.530 2.768 20 30 HFEDRO COc1ccc(CNC(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)cc1C#N ZINC000746725520 1077031634 /nfs/dbraw/zinc/03/16/34/1077031634.db2.gz KTTGJXPXZGLEHA-UHFFFAOYSA-N 1 0 400.523 2.790 20 30 HFEDRO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)NC3CC[NH+](CC4CC4)CC3)c2)s1 ZINC000788485721 1077177187 /nfs/dbraw/zinc/17/71/87/1077177187.db2.gz SBQMNUNVXYDVOX-UHFFFAOYSA-N 1 0 422.554 2.894 20 30 HFEDRO COc1ccc(CCS(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000788606202 1077221243 /nfs/dbraw/zinc/22/12/43/1077221243.db2.gz DWTJPOAMKRHKHU-UHFFFAOYSA-N 1 0 401.532 2.503 20 30 HFEDRO CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)C1 ZINC000788784124 1077301438 /nfs/dbraw/zinc/30/14/38/1077301438.db2.gz OXIJYMXGVFODAL-LJQANCHMSA-N 1 0 410.518 2.648 20 30 HFEDRO COc1ccc(CNC(=O)NC[C@@H](c2ccc(OC)c(OC)c2)[NH+](C)C)cc1C#N ZINC000746786294 1077398482 /nfs/dbraw/zinc/39/84/82/1077398482.db2.gz YRVDDIIIMAZLLG-SFHVURJKSA-N 1 0 412.490 2.686 20 30 HFEDRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)CC1 ZINC000792209884 1077765034 /nfs/dbraw/zinc/76/50/34/1077765034.db2.gz XHJPZQSWLTTXPT-OAQYLSRUSA-N 1 0 411.546 2.829 20 30 HFEDRO CCN(CC)C(=O)C1CC[NH+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000746858811 1077791966 /nfs/dbraw/zinc/79/19/66/1077791966.db2.gz FYYGEHLPBQBUQR-GOSISDBHSA-N 1 0 405.502 2.804 20 30 HFEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC001170183288 1077903417 /nfs/dbraw/zinc/90/34/17/1077903417.db2.gz FOIZCBMXDQTFLH-GOTSBHOMSA-N 1 0 421.541 2.901 20 30 HFEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H](CC(=O)OCc2ccccc2)C(N)=O)CC1 ZINC001170361977 1077950558 /nfs/dbraw/zinc/95/05/58/1077950558.db2.gz LJBYEJHUSGYDRB-DQBMGFJSSA-N 1 0 405.498 2.968 20 30 HFEDRO CN(C)C(=O)CN1CC[C@]2(CCC[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C2)C1=O ZINC001170381126 1077963582 /nfs/dbraw/zinc/96/35/82/1077963582.db2.gz HVXPREDDJMOLDD-MTQWGCILSA-N 1 0 422.573 2.793 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cccc(C)c1C ZINC000792747488 1077983288 /nfs/dbraw/zinc/98/32/88/1077983288.db2.gz AAGKVEMOBUJSAF-PKOBYXMFSA-N 1 0 414.575 2.715 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1CC ZINC000792749213 1077984350 /nfs/dbraw/zinc/98/43/50/1077984350.db2.gz NXPWVCWUVISVNA-IEBWSBKVSA-N 1 0 414.575 2.660 20 30 HFEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2cnn(CC)c2)CC1 ZINC000790303018 1077999464 /nfs/dbraw/zinc/99/94/64/1077999464.db2.gz PMHQPQIBQRSNLH-JOCHJYFZSA-N 1 0 411.550 2.799 20 30 HFEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)/C=C\c3ccc4c(c3)NC(=O)CO4)CC2)c1 ZINC001130563256 1079516739 /nfs/dbraw/zinc/51/67/39/1079516739.db2.gz LHZOVMQADQDOLE-ALCCZGGFSA-N 1 0 416.481 2.683 20 30 HFEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)CC2)c1 ZINC001130563281 1079516870 /nfs/dbraw/zinc/51/68/70/1079516870.db2.gz LXJMIMJBEOGFFR-UHFFFAOYSA-N 1 0 422.441 2.632 20 30 HFEDRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000806329001 1079600723 /nfs/dbraw/zinc/60/07/23/1079600723.db2.gz NDDKROUPTXHNTQ-GOSISDBHSA-N 1 0 410.543 2.894 20 30 HFEDRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000806400236 1079687279 /nfs/dbraw/zinc/68/72/79/1079687279.db2.gz FIQVNEUKLCJXMD-KRWDZBQOSA-N 1 0 404.511 2.569 20 30 HFEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1ccco1 ZINC000807109297 1080288297 /nfs/dbraw/zinc/28/82/97/1080288297.db2.gz FNBWNSWLUMVHJH-YLFCFFPRSA-N 1 0 419.526 2.767 20 30 HFEDRO CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000807109183 1080288408 /nfs/dbraw/zinc/28/84/08/1080288408.db2.gz CMSCZIFLYINFAI-ROUUACIJSA-N 1 0 407.559 2.653 20 30 HFEDRO C[C@H](NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C(C)(C)C[NH+](C)C ZINC000807246726 1080402456 /nfs/dbraw/zinc/40/24/56/1080402456.db2.gz SJTFEZQRIITPRT-HNNXBMFYSA-N 1 0 412.559 2.995 20 30 HFEDRO C#CCOc1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000807355733 1080517600 /nfs/dbraw/zinc/51/76/00/1080517600.db2.gz XVUGJGUSVMDYIZ-RUZDIDTESA-N 1 0 417.509 2.762 20 30 HFEDRO C#C[C@H](NC(=O)C(=O)Nc1c(C)cnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000807535932 1080751423 /nfs/dbraw/zinc/75/14/23/1080751423.db2.gz GUTDUKLTVVDKPP-UXHICEINSA-N 1 0 421.545 2.741 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)c2cccnc2SCc2ccc(C(N)=O)cc2)CC1 ZINC000747402307 1080769230 /nfs/dbraw/zinc/76/92/30/1080769230.db2.gz KDHLCKLKXZVGLZ-UHFFFAOYSA-N 1 0 422.554 2.690 20 30 HFEDRO N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4C[NH2+]C[C@]4(CO)C3)cnc2Cl)cc1 ZINC001164408249 718855234 /nfs/dbraw/zinc/85/52/34/718855234.db2.gz ROMJRYJFVGDTFH-VQIMIIECSA-N 1 0 404.848 2.837 20 30 HFEDRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1ccc2nc(Cl)c(C#N)c(Cl)c2c1 ZINC001164630293 719138868 /nfs/dbraw/zinc/13/88/68/719138868.db2.gz INFWHYNZDFQJKH-ZDUSSCGKSA-N 1 0 415.227 2.909 20 30 HFEDRO C[N@@H+]1CCO[C@@H]2CN(c3nc(C#C[Si](C)(C)C)ccc3NC(=O)C(C)(C)C)C[C@@H]21 ZINC001164674296 719418715 /nfs/dbraw/zinc/41/87/15/719418715.db2.gz WAGIRDSORFPNGA-RBUKOAKNSA-N 1 0 414.626 2.814 20 30 HFEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(SC)nc(Cl)c1C#N)C2 ZINC001164813702 720066626 /nfs/dbraw/zinc/06/66/26/720066626.db2.gz VIUIXBCRKSUCRD-LIRRHRJNSA-N 1 0 407.971 2.908 20 30 HFEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc3c(c2C#N)CCCC3)CC1 ZINC001164829569 720354632 /nfs/dbraw/zinc/35/46/32/720354632.db2.gz SPCQMPLJYWSZHB-FGZHOGPDSA-N 1 0 407.562 2.744 20 30 HFEDRO Cc1c(Cl)c(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1C#N ZINC001164743628 720648734 /nfs/dbraw/zinc/64/87/34/720648734.db2.gz PRQHJZXERVWYSF-STQMWFEESA-N 1 0 405.289 2.700 20 30 HFEDRO CSc1nc(Cl)c(C#N)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164871482 721040481 /nfs/dbraw/zinc/04/04/81/721040481.db2.gz ZDHIEDGSPKWISI-HUUCEWRRSA-N 1 0 416.938 2.598 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)cc4C#N)C[C@H]3C2)cn1 ZINC001164770164 721174538 /nfs/dbraw/zinc/17/45/38/721174538.db2.gz NZYVDRCEAFFQJZ-GDBMZVCRSA-N 1 0 406.868 2.843 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cnc1C#N)CC2 ZINC001164787793 721453828 /nfs/dbraw/zinc/45/38/28/721453828.db2.gz QPPJAAAELPPFAB-QGZVFWFLSA-N 1 0 419.957 2.736 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C#N)cc1C#N)CC2 ZINC001164786426 721455227 /nfs/dbraw/zinc/45/52/27/721455227.db2.gz MKZNAYMTTILUDK-OAQYLSRUSA-N 1 0 409.534 2.559 20 30 HFEDRO CCc1nc(C#N)c(C#N)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165022305 721829548 /nfs/dbraw/zinc/82/95/48/721829548.db2.gz GVIJSUSBWIDJMK-SGXKBVARSA-N 1 0 401.518 2.914 20 30 HFEDRO C[C@@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3cnc4ccc(C#N)cn34)cc2)C1=O ZINC000790612035 1078075571 /nfs/dbraw/zinc/07/55/71/1078075571.db2.gz ZYSFTZDUZRJWQZ-QHCPKHFHSA-N 1 0 414.469 2.721 20 30 HFEDRO C#C[C@H](CCC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1F ZINC000790696423 1078098683 /nfs/dbraw/zinc/09/86/83/1078098683.db2.gz FTZMGHXMCARFIQ-CRAIPNDOSA-N 1 0 418.538 2.627 20 30 HFEDRO C#C[C@H](CCC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1C ZINC000790697318 1078098965 /nfs/dbraw/zinc/09/89/65/1078098965.db2.gz ISPWRWKRQAJISI-MJGOQNOKSA-N 1 0 414.575 2.796 20 30 HFEDRO C#C[C@H](CCC)N1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccccc1 ZINC000790699912 1078099601 /nfs/dbraw/zinc/09/96/01/1078099601.db2.gz SUECSVCZUCYEHF-RTBURBONSA-N 1 0 414.575 2.878 20 30 HFEDRO CC(C)=CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(F)cc1F ZINC000790702787 1078100297 /nfs/dbraw/zinc/10/02/97/1078100297.db2.gz VCVBWHCKYVNNEN-KRWDZBQOSA-N 1 0 424.517 2.930 20 30 HFEDRO C=C(Cl)CN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790737430 1078119780 /nfs/dbraw/zinc/11/97/80/1078119780.db2.gz ULELZZVPSARQIP-ZDUSSCGKSA-N 1 0 400.957 2.500 20 30 HFEDRO C=CC[C@@]1(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790771977 1078129588 /nfs/dbraw/zinc/12/95/88/1078129588.db2.gz JBMHMXUSFDJDTO-AVRDEDQJSA-N 1 0 407.555 2.702 20 30 HFEDRO Cc1nc(C#N)c(N2CCC(C(=O)N(C)c3ccc(OCC[NH+](C)C)cc3)CC2)o1 ZINC000793483293 1078189674 /nfs/dbraw/zinc/18/96/74/1078189674.db2.gz REMARWRITOTVOL-UHFFFAOYSA-N 1 0 411.506 2.675 20 30 HFEDRO CC1CC[NH+]([C@@H](CNC(=O)C(=O)NCc2cc(C#N)ccc2F)c2ccccc2)CC1 ZINC000793782886 1078293326 /nfs/dbraw/zinc/29/33/26/1078293326.db2.gz GSROXCZCXOIMSS-QFIPXVFZSA-N 1 0 422.504 2.903 20 30 HFEDRO C[C@H](NC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000804403244 1078466781 /nfs/dbraw/zinc/46/67/81/1078466781.db2.gz ZJBHVMBKVBNVGP-MHECFPHRSA-N 1 0 404.514 2.764 20 30 HFEDRO C#CCNc1nc(N[C@H]2CCOC3(CCC3)C2)[nH+]c(N[C@H]2CCOC3(CCC3)C2)n1 ZINC000804562692 1078598442 /nfs/dbraw/zinc/59/84/42/1078598442.db2.gz QNWGDTOCFRHVPR-IRXDYDNUSA-N 1 0 412.538 2.944 20 30 HFEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)CC1 ZINC000804894958 1078752297 /nfs/dbraw/zinc/75/22/97/1078752297.db2.gz DFTVRBSHNVKNMF-UHFFFAOYSA-N 1 0 400.567 2.648 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000805199373 1078952610 /nfs/dbraw/zinc/95/26/10/1078952610.db2.gz YXYQHXKYBMWCNI-QPPBQGQZSA-N 1 0 406.530 2.986 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000805199375 1078952698 /nfs/dbraw/zinc/95/26/98/1078952698.db2.gz YXYQHXKYBMWCNI-XUZZJYLKSA-N 1 0 406.530 2.986 20 30 HFEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CC(=O)N(c4cccc(F)c4)C3)CC2)c1 ZINC001130341115 1079228631 /nfs/dbraw/zinc/22/86/31/1079228631.db2.gz BOSITEPYIKSJDE-LJQANCHMSA-N 1 0 420.488 2.831 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccncc1 ZINC000805812934 1079287291 /nfs/dbraw/zinc/28/72/91/1079287291.db2.gz GANDYKNIPRGFAK-ABHNRTSZSA-N 1 0 424.467 2.737 20 30 HFEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787327604 1076770556 /nfs/dbraw/zinc/77/05/56/1076770556.db2.gz IVCWIICENHCSMF-INIZCTEOSA-N 1 0 417.554 2.904 20 30 HFEDRO C[C@H](NC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000787350306 1076791629 /nfs/dbraw/zinc/79/16/29/1076791629.db2.gz QSMIWJBKPLNLDQ-MHECFPHRSA-N 1 0 404.514 2.764 20 30 HFEDRO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@@H]([N@@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC000787716914 1076924641 /nfs/dbraw/zinc/92/46/41/1076924641.db2.gz KFKSIANHQIECRJ-NZQKXSOJSA-N 1 0 414.550 2.831 20 30 HFEDRO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([N@@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC000787716921 1076924649 /nfs/dbraw/zinc/92/46/49/1076924649.db2.gz KFKSIANHQIECRJ-REWPJTCUSA-N 1 0 414.550 2.831 20 30 HFEDRO C#CCn1ccc(CN(CC)C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)n1 ZINC000788381014 1077135680 /nfs/dbraw/zinc/13/56/80/1077135680.db2.gz SYSKANFUKWPGOV-QFIPXVFZSA-N 1 0 409.534 2.894 20 30 HFEDRO C#CCN(C)C(=O)CCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000790962682 1077255427 /nfs/dbraw/zinc/25/54/27/1077255427.db2.gz FCABWWCRAAZLPA-UHFFFAOYSA-N 1 0 401.510 2.772 20 30 HFEDRO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000789739241 1077772944 /nfs/dbraw/zinc/77/29/44/1077772944.db2.gz JSDWKBRMBKYGNN-GHTZIAJQSA-N 1 0 405.506 2.538 20 30 HFEDRO C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)NC(=O)OC(C)(C)C ZINC000792257341 1077783373 /nfs/dbraw/zinc/78/33/73/1077783373.db2.gz KJHWPRAEFGUZCL-QGZVFWFLSA-N 1 0 415.538 2.689 20 30 HFEDRO N#Cc1nc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)ccc1Br ZINC001170167829 1077885651 /nfs/dbraw/zinc/88/56/51/1077885651.db2.gz PKTKXDMPQLYTQP-UHFFFAOYSA-N 1 0 401.268 2.584 20 30 HFEDRO CNC(=O)CO[C@H]1CO[C@]2(C1)CCC[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170382608 1077964339 /nfs/dbraw/zinc/96/43/39/1077964339.db2.gz BPBBKQLHZIASHV-MDRJSERKSA-N 1 0 411.546 2.777 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1Cl ZINC000792745084 1077982690 /nfs/dbraw/zinc/98/26/90/1077982690.db2.gz BRAVVSMOMXDIDF-YOEHRIQHSA-N 1 0 420.966 2.751 20 30 HFEDRO C=CCCCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(C)cc1 ZINC000790278934 1077983074 /nfs/dbraw/zinc/98/30/74/1077983074.db2.gz CHMPKYWBVGWIAI-SFHVURJKSA-N 1 0 402.564 2.961 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1cccc(C)c1 ZINC000792749431 1077984437 /nfs/dbraw/zinc/98/44/37/1077984437.db2.gz HEJWGYXNLHAWBB-OALUTQOASA-N 1 0 414.575 2.796 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(C)c(F)c1 ZINC000792751400 1077985139 /nfs/dbraw/zinc/98/51/39/1077985139.db2.gz ZYQREZGYXQRHPD-WMZOPIPTSA-N 1 0 418.538 2.545 20 30 HFEDRO C#CCN1CCN(C(=O)C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)CC1 ZINC000792931876 1078028323 /nfs/dbraw/zinc/02/83/23/1078028323.db2.gz YAYWXKALKDQAJI-OAQYLSRUSA-N 1 0 423.479 2.540 20 30 HFEDRO COCC[N@@H+]1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C(C)(C)C1 ZINC001130635502 1079724710 /nfs/dbraw/zinc/72/47/10/1079724710.db2.gz CRIQQQPSWASDJS-KRWDZBQOSA-N 1 0 410.559 2.533 20 30 HFEDRO Cc1cccc(C2N=NC(=S)N2CCC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000747366167 1080148481 /nfs/dbraw/zinc/14/84/81/1080148481.db2.gz FOWIQKWDIIHFMZ-UHFFFAOYSA-N 1 0 400.552 2.626 20 30 HFEDRO C#CC[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1)c1ccccc1 ZINC000806951905 1080160383 /nfs/dbraw/zinc/16/03/83/1080160383.db2.gz PPWLCMFNXBQVFW-NRFANRHFSA-N 1 0 420.513 2.786 20 30 HFEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000807109995 1080286977 /nfs/dbraw/zinc/28/69/77/1080286977.db2.gz OXFGUTJPRHVLOC-AEFFLSMTSA-N 1 0 419.526 2.502 20 30 HFEDRO C[C@@H](NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C1=CC[N@H+](C)CC1 ZINC000807249976 1080407265 /nfs/dbraw/zinc/40/72/65/1080407265.db2.gz NJLWXLBQADBCKT-OAHLLOKOSA-N 1 0 408.527 2.670 20 30 HFEDRO C[C@H](NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C1=CC[N@H+](C)CC1 ZINC000807249975 1080407322 /nfs/dbraw/zinc/40/73/22/1080407322.db2.gz NJLWXLBQADBCKT-HNNXBMFYSA-N 1 0 408.527 2.670 20 30 HFEDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000807249700 1080408838 /nfs/dbraw/zinc/40/88/38/1080408838.db2.gz DFAIFEJZPYAJDF-SFHVURJKSA-N 1 0 410.543 2.846 20 30 HFEDRO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)c2)s1 ZINC000807249641 1080408847 /nfs/dbraw/zinc/40/88/47/1080408847.db2.gz BEWZSKFBMJSTFE-SFHVURJKSA-N 1 0 422.554 2.847 20 30 HFEDRO C#C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)c1ccc(Cl)cc1F ZINC000807329591 1080528755 /nfs/dbraw/zinc/52/87/55/1080528755.db2.gz AZIQCWQCJZNJJK-LJQANCHMSA-N 1 0 417.868 2.849 20 30 HFEDRO C#C[C@@H](NC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)c1ccc(Cl)cc1F ZINC000807331192 1080529165 /nfs/dbraw/zinc/52/91/65/1080529165.db2.gz TVEROESQPDNWAW-LJQANCHMSA-N 1 0 417.868 2.849 20 30 HFEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000807467601 1080645193 /nfs/dbraw/zinc/64/51/93/1080645193.db2.gz VPTQEUMQLZIKJN-HSZRJFAPSA-N 1 0 424.589 2.645 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]2C[C@@H]2C)CC1 ZINC000747404991 1080787291 /nfs/dbraw/zinc/78/72/91/1080787291.db2.gz RSAKBVKJKRYEQR-RDJZCZTQSA-N 1 0 413.518 2.516 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](CC(C)C)NC(=O)NCc2ccc(C)cc2)CC1 ZINC000747404329 1080789341 /nfs/dbraw/zinc/78/93/41/1080789341.db2.gz IMPLOMOVZDUPIB-QFIPXVFZSA-N 1 0 412.578 2.813 20 30 HFEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CCO[C@@H]4C3)c(Cl)nn2)c1 ZINC001164391354 718826021 /nfs/dbraw/zinc/82/60/21/718826021.db2.gz UQKGJKQEQZAEIL-DOTOQJQBSA-N 1 0 405.836 2.781 20 30 HFEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@@H]4C[NH2+]C[C@@]4(CO)C3)cc2c1Cl ZINC001164406208 718855064 /nfs/dbraw/zinc/85/50/64/718855064.db2.gz MYPDPJZUKMDKQQ-GTNSWQLSSA-N 1 0 413.255 2.976 20 30 HFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001164619206 719119735 /nfs/dbraw/zinc/11/97/35/719119735.db2.gz CYDUMDGZPKPCHF-DGCLKSJQSA-N 1 0 416.831 2.841 20 30 HFEDRO CCc1nc(C#N)c(C#N)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164707911 719904735 /nfs/dbraw/zinc/90/47/35/719904735.db2.gz ZAPHALYIDDKINX-UHFFFAOYSA-N 1 0 408.531 2.715 20 30 HFEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3c(cc1C#N)CCCC3)CCC2 ZINC001164813378 720237153 /nfs/dbraw/zinc/23/71/53/720237153.db2.gz NPIYWCDDDLFQCH-UHFFFAOYSA-N 1 0 406.534 2.639 20 30 HFEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc([C@H](C#N)c3ccccc3F)nn2)C1 ZINC001164731428 720518796 /nfs/dbraw/zinc/51/87/96/720518796.db2.gz XELTUEPOLAYOOP-FUHWJXTLSA-N 1 0 405.481 2.666 20 30 HFEDRO Cc1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C#N ZINC001164743981 720812660 /nfs/dbraw/zinc/81/26/60/720812660.db2.gz GZMWRCAHVHYKHQ-ZIFCJYIRSA-N 1 0 411.941 2.886 20 30 HFEDRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)cc1C#N ZINC001164750405 720859347 /nfs/dbraw/zinc/85/93/47/720859347.db2.gz PSQBMKWTRSSQSX-CMKODMSKSA-N 1 0 411.941 2.886 20 30 HFEDRO CSc1nc(Cl)c(C#N)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164871484 721041121 /nfs/dbraw/zinc/04/11/21/721041121.db2.gz ZDHIEDGSPKWISI-LSDHHAIUSA-N 1 0 416.938 2.598 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccnc(Cl)c4C#N)C[C@H]3C2)cn1 ZINC001164765906 721084229 /nfs/dbraw/zinc/08/42/29/721084229.db2.gz KDTYEXZREUJICB-LSDHHAIUSA-N 1 0 406.868 2.843 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4c(C#N)cnc5cnc(Cl)cc54)C[C@H]3C2)cn1 ZINC001164774299 721087374 /nfs/dbraw/zinc/08/73/74/721087374.db2.gz ZRRFTWLIOMGMSK-NVXWUHKLSA-N 1 0 407.909 2.847 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc(C#N)cc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164769940 721141898 /nfs/dbraw/zinc/14/18/98/721141898.db2.gz QLWJJEBBOZBFID-CVEARBPZSA-N 1 0 406.868 2.843 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc(Cl)c1C#N)CC2 ZINC001164789414 721453959 /nfs/dbraw/zinc/45/39/59/721453959.db2.gz VPAKVOFTIZQZPQ-KRWDZBQOSA-N 1 0 419.957 2.736 20 30 HFEDRO CCOC(=O)c1cc(C)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C#N ZINC001164900188 721523976 /nfs/dbraw/zinc/52/39/76/721523976.db2.gz PATMDNUVCBZZLP-IEBWSBKVSA-N 1 0 424.476 2.919 20 30 HFEDRO COC(=O)c1cc(C#N)cnc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164944536 721932982 /nfs/dbraw/zinc/93/29/82/721932982.db2.gz SPCMTGGWMQPSBI-UHFFFAOYSA-N 1 0 420.513 2.920 20 30 HFEDRO C=CC[C@@]1(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790634128 1078069628 /nfs/dbraw/zinc/06/96/28/1078069628.db2.gz RBJZEAJHCDPMFK-QHCPKHFHSA-N 1 0 422.614 2.817 20 30 HFEDRO C=CC[C@]1(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790648441 1078093484 /nfs/dbraw/zinc/09/34/84/1078093484.db2.gz YKQMFWBWAIDVLC-AUSIDOKSSA-N 1 0 420.598 2.571 20 30 HFEDRO C#C[C@@H](CCC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(C)cc1 ZINC000790691910 1078098032 /nfs/dbraw/zinc/09/80/32/1078098032.db2.gz ZYOKZGUUVIPRAV-RBUKOAKNSA-N 1 0 414.575 2.796 20 30 HFEDRO CC(C)=CCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1F ZINC000790695878 1078098881 /nfs/dbraw/zinc/09/88/81/1078098881.db2.gz CBMLMQKXJYUAPK-QGZVFWFLSA-N 1 0 406.527 2.791 20 30 HFEDRO C#C[C@@H](CCC)N1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccccc1 ZINC000790699911 1078099634 /nfs/dbraw/zinc/09/96/34/1078099634.db2.gz SUECSVCZUCYEHF-RBUKOAKNSA-N 1 0 414.575 2.878 20 30 HFEDRO N#Cc1ccncc1N1CCN(C(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000793285781 1078118310 /nfs/dbraw/zinc/11/83/10/1078118310.db2.gz FXHVFRNHUKQJBO-UHFFFAOYSA-N 1 0 420.586 2.614 20 30 HFEDRO C=CC[C@]1(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790741230 1078121329 /nfs/dbraw/zinc/12/13/29/1078121329.db2.gz FHIMAPIDIXYLSC-XMSQKQJNSA-N 1 0 407.555 2.513 20 30 HFEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(COC)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000793443288 1078173022 /nfs/dbraw/zinc/17/30/22/1078173022.db2.gz GCZPUOMXVMALPS-UHFFFAOYSA-N 1 0 409.571 2.807 20 30 HFEDRO CC[NH+]1CCC(CNC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000793812817 1078315266 /nfs/dbraw/zinc/31/52/66/1078315266.db2.gz GEQRBKIKANSJDY-UHFFFAOYSA-N 1 0 410.543 2.751 20 30 HFEDRO C[C@@H](NC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000804403242 1078466750 /nfs/dbraw/zinc/46/67/50/1078466750.db2.gz ZJBHVMBKVBNVGP-HOYKHHGWSA-N 1 0 404.514 2.764 20 30 HFEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000804418599 1078468968 /nfs/dbraw/zinc/46/89/68/1078468968.db2.gz QSOUYWJARSWWHE-GOSISDBHSA-N 1 0 410.543 2.894 20 30 HFEDRO C#CCNc1nc(NCCc2ccc(C)nc2)[nH+]c(NCCc2ccc(C)nc2)n1 ZINC000804447127 1078512905 /nfs/dbraw/zinc/51/29/05/1078512905.db2.gz XMSQDJVICVHPOQ-UHFFFAOYSA-N 1 0 402.506 2.633 20 30 HFEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1 ZINC000804895680 1078752337 /nfs/dbraw/zinc/75/23/37/1078752337.db2.gz FQBWABYCDKMTKO-UHFFFAOYSA-N 1 0 400.567 2.646 20 30 HFEDRO N#Cc1ccc(NCCNC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC000804959597 1078799120 /nfs/dbraw/zinc/79/91/20/1078799120.db2.gz KQIMIAARLZURSX-QHCPKHFHSA-N 1 0 404.518 2.673 20 30 HFEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000805179369 1078964582 /nfs/dbraw/zinc/96/45/82/1078964582.db2.gz ASSXLKCFOAUGIV-BJKOFHAPSA-N 1 0 404.558 2.909 20 30 HFEDRO COc1nc(C)c(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)c(C)c1C#N ZINC001170494223 1079366338 /nfs/dbraw/zinc/36/63/38/1079366338.db2.gz XUINXJHGZZOMNE-FAEJEUNOSA-N 1 0 407.518 2.950 20 30 HFEDRO C[NH+]1CCN(CCCOc2ccc(NC(=O)COc3cccc(C#N)c3)cc2)CC1 ZINC001130541425 1079461874 /nfs/dbraw/zinc/46/18/74/1079461874.db2.gz CPHNCDGHBPQHMF-UHFFFAOYSA-N 1 0 408.502 2.592 20 30 HFEDRO CCOCCC[N@@H+]1CC[C@H](NCc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H](C)C1 ZINC000787303461 1076752015 /nfs/dbraw/zinc/75/20/15/1076752015.db2.gz MAUCLPBGZKAVFN-HOJAQTOUSA-N 1 0 421.545 2.950 20 30 HFEDRO C[C@@H](NC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000787350303 1076791344 /nfs/dbraw/zinc/79/13/44/1076791344.db2.gz QSMIWJBKPLNLDQ-KOSHJBKYSA-N 1 0 404.514 2.764 20 30 HFEDRO CCCN(CCC[NH+](C)C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000787402957 1076808700 /nfs/dbraw/zinc/80/87/00/1076808700.db2.gz LVPTWJITGFUCNQ-QOCHGBHMSA-N 1 0 423.583 2.695 20 30 HFEDRO C=C(Br)CNC(=O)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000787497529 1076826376 /nfs/dbraw/zinc/82/63/76/1076826376.db2.gz JKBXIMWDZMHSTE-GJZGRUSLSA-N 1 0 422.367 2.806 20 30 HFEDRO CC1CC[NH+](CCNC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000787663254 1076903122 /nfs/dbraw/zinc/90/31/22/1076903122.db2.gz DCJRKJYYWJEDRY-UHFFFAOYSA-N 1 0 410.543 2.751 20 30 HFEDRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000787667443 1076904015 /nfs/dbraw/zinc/90/40/15/1076904015.db2.gz CDUPNBHRNNTLEQ-INIZCTEOSA-N 1 0 410.543 2.751 20 30 HFEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCc2nc(C)sc21)C(C)C ZINC000788444368 1077161950 /nfs/dbraw/zinc/16/19/50/1077161950.db2.gz QEPMGFXIGDODHR-QZTJIDSGSA-N 1 0 404.580 2.760 20 30 HFEDRO N#CCCn1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(-c2ccncc2)n1 ZINC000788506950 1077185963 /nfs/dbraw/zinc/18/59/63/1077185963.db2.gz GCJCRMYHWYKZKY-UHFFFAOYSA-N 1 0 402.502 2.985 20 30 HFEDRO C#CCOc1ccc(C[NH2+]C[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1 ZINC000788529977 1077203879 /nfs/dbraw/zinc/20/38/79/1077203879.db2.gz SUPYZEHBMAXTRM-NRFANRHFSA-N 1 0 410.489 2.645 20 30 HFEDRO CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)C1 ZINC000788784122 1077301525 /nfs/dbraw/zinc/30/15/25/1077301525.db2.gz OXIJYMXGVFODAL-IBGZPJMESA-N 1 0 410.518 2.648 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000788898635 1077343985 /nfs/dbraw/zinc/34/39/85/1077343985.db2.gz SWOPBLRWUWZBBT-CTNGQTDRSA-N 1 0 409.534 2.510 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000789062710 1077395121 /nfs/dbraw/zinc/39/51/21/1077395121.db2.gz PSNXWPFPWYNXCQ-IFMALSPDSA-N 1 0 423.561 2.727 20 30 HFEDRO C[C@H]1CC[C@@H]([N@H+](CC(=O)N2C[C@@H](F)C[C@H]2C#N)C(C)(C)CC(=O)N2CCCC2)C1 ZINC001170159225 1077537080 /nfs/dbraw/zinc/53/70/80/1077537080.db2.gz RRHVUQPJZVPFAV-OKYOBFRVSA-N 1 0 406.546 2.731 20 30 HFEDRO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000746810163 1077550791 /nfs/dbraw/zinc/55/07/91/1077550791.db2.gz CTRGNDSCVNBGDK-SFHVURJKSA-N 1 0 417.868 2.849 20 30 HFEDRO CC(C)[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H](O)C(F)(F)F ZINC001170116905 1077753764 /nfs/dbraw/zinc/75/37/64/1077753764.db2.gz HKLIPSXRTIJUSD-HOTGVXAUSA-N 1 0 410.358 2.711 20 30 HFEDRO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000792214904 1077767668 /nfs/dbraw/zinc/76/76/68/1077767668.db2.gz ANQZDFPVUILSNO-QGZVFWFLSA-N 1 0 404.486 2.550 20 30 HFEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCCn3nnc(Cn4cnnc4)c3C2)CC1 ZINC001170386467 1077957405 /nfs/dbraw/zinc/95/74/05/1077957405.db2.gz GYXYAGSWHKVDPT-UHFFFAOYSA-N 1 0 402.506 2.528 20 30 HFEDRO N#CC1(c2ccccc2)CCC(N([C@@H]2CC[NH2+]C2)S(=O)(=O)c2ccccn2)CC1 ZINC001170398333 1077960841 /nfs/dbraw/zinc/96/08/41/1077960841.db2.gz NQBDXZHIDQFMIC-SNCIUUNGSA-N 1 0 410.543 2.838 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccc(F)cc1 ZINC000792749792 1077984906 /nfs/dbraw/zinc/98/49/06/1077984906.db2.gz RRAWDEGUPBTDCO-ZWKOTPCHSA-N 1 0 418.538 2.627 20 30 HFEDRO C#CCN1CCN(C(=O)C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)CC1 ZINC000792931875 1078028357 /nfs/dbraw/zinc/02/83/57/1078028357.db2.gz YAYWXKALKDQAJI-NRFANRHFSA-N 1 0 423.479 2.540 20 30 HFEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000806503489 1079753376 /nfs/dbraw/zinc/75/33/76/1079753376.db2.gz PHLNQEHGBVKRHW-QZTJIDSGSA-N 1 0 410.543 2.892 20 30 HFEDRO C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@H](c1ccccc1)[NH+](C)C ZINC000807110111 1080288857 /nfs/dbraw/zinc/28/88/57/1080288857.db2.gz PZLVGAAUFKCCFW-GDAAHCPNSA-N 1 0 415.538 2.736 20 30 HFEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000807246441 1080403379 /nfs/dbraw/zinc/40/33/79/1080403379.db2.gz PRLMUMBPHMCHMG-GOSISDBHSA-N 1 0 424.570 2.997 20 30 HFEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000807249929 1080407296 /nfs/dbraw/zinc/40/72/96/1080407296.db2.gz LZBLDPKRNFGQMU-KRWDZBQOSA-N 1 0 410.543 2.703 20 30 HFEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807249987 1080407382 /nfs/dbraw/zinc/40/73/82/1080407382.db2.gz NPBKLWKAGKYZFR-HNAYVOBHSA-N 1 0 410.543 2.702 20 30 HFEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N)c1ccco1 ZINC000807310584 1080505316 /nfs/dbraw/zinc/50/53/16/1080505316.db2.gz NLUOIBIQJYZNRT-CJNGLKHVSA-N 1 0 402.426 2.505 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)n1 ZINC000807407257 1080601078 /nfs/dbraw/zinc/60/10/78/1080601078.db2.gz MIAIHUGJUWDBKT-SIKLNZKXSA-N 1 0 411.550 2.674 20 30 HFEDRO C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000807509902 1080715303 /nfs/dbraw/zinc/71/53/03/1080715303.db2.gz PXJSDVRXLMMEFG-NRFANRHFSA-N 1 0 423.513 2.843 20 30 HFEDRO C#C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)C(C)(C)C ZINC000807534831 1080749736 /nfs/dbraw/zinc/74/97/36/1080749736.db2.gz NEJMFGWOUAQGGX-IBGZPJMESA-N 1 0 412.534 2.604 20 30 HFEDRO C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000807544713 1080761636 /nfs/dbraw/zinc/76/16/36/1080761636.db2.gz ZGTMKNVSEYBFHF-VQIMIIECSA-N 1 0 409.461 2.555 20 30 HFEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)c(F)cc2C#N)CC1 ZINC001164820249 720289874 /nfs/dbraw/zinc/28/98/74/720289874.db2.gz VGBWYESHSWZLHY-IAGOWNOFSA-N 1 0 405.905 2.657 20 30 HFEDRO Cc1nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)cc1C#N ZINC001164821790 720353197 /nfs/dbraw/zinc/35/31/97/720353197.db2.gz BZJNIZOXYFFPJD-RTBURBONSA-N 1 0 401.942 2.827 20 30 HFEDRO C=CCNC(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164840735 720601998 /nfs/dbraw/zinc/60/19/98/720601998.db2.gz QMKWJGOVNHQLMQ-QKNQBKEWSA-N 1 0 408.550 2.572 20 30 HFEDRO N#Cc1cc(F)c(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741723 720810327 /nfs/dbraw/zinc/81/03/27/720810327.db2.gz BQBGQFZYOINXTI-XYJFISCASA-N 1 0 415.904 2.717 20 30 HFEDRO N#CCc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164749649 720854835 /nfs/dbraw/zinc/85/48/35/720854835.db2.gz NZQKDRYDJYBDML-NLWGTHIKSA-N 1 0 411.941 2.772 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(Cl)nc4C#N)C[C@H]3C2)cn1 ZINC001164763444 721107521 /nfs/dbraw/zinc/10/75/21/721107521.db2.gz FYDSHOHOUVACNF-HUUCEWRRSA-N 1 0 406.868 2.843 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc(C#N)c4)C[C@H]3C2)cn1 ZINC001164773269 721124772 /nfs/dbraw/zinc/12/47/72/721124772.db2.gz XQDQMMLRGYVANP-LSDHHAIUSA-N 1 0 406.868 2.843 20 30 HFEDRO Cc1nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(C#N)c(C)c1Cl ZINC001164884361 721384931 /nfs/dbraw/zinc/38/49/31/721384931.db2.gz AKRGWHJCWXSGMI-GCJKJVERSA-N 1 0 417.985 2.989 20 30 HFEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc(CC#N)cc4Cl)C3)O2)CC1 ZINC001164889578 721444345 /nfs/dbraw/zinc/44/43/45/721444345.db2.gz BVOGKBHACPPRSX-RXVVDRJESA-N 1 0 403.958 2.566 20 30 HFEDRO N#Cc1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904794 721699438 /nfs/dbraw/zinc/69/94/38/721699438.db2.gz GNWCZSMSLVPIKD-LJQANCHMSA-N 1 0 414.416 2.994 20 30 HFEDRO CCc1nc(C#N)c(C#N)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164912252 721734809 /nfs/dbraw/zinc/73/48/09/721734809.db2.gz NLDZZZCXKHJZGK-NRFANRHFSA-N 1 0 423.471 2.915 20 30 HFEDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001165012860 721749915 /nfs/dbraw/zinc/74/99/15/721749915.db2.gz PGHVYMTZGZOZPS-UHFFFAOYSA-N 1 0 422.489 2.538 20 30 HFEDRO CSc1nc(-c2ccccc2)nc(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1C#N ZINC001164927398 721869791 /nfs/dbraw/zinc/86/97/91/721869791.db2.gz UUZIDXCTAHIGGZ-OALUTQOASA-N 1 0 408.575 2.952 20 30 HFEDRO CCc1nc(C#N)c(C#N)nc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164940803 721933423 /nfs/dbraw/zinc/93/34/23/721933423.db2.gz FDTZYGCXRNYBKT-UHFFFAOYSA-N 1 0 416.529 2.962 20 30 HFEDRO N#Cc1cc2nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)ccc2[nH]1 ZINC001164960702 722059432 /nfs/dbraw/zinc/05/94/32/722059432.db2.gz ICCLLDRAKGHIDS-UHFFFAOYSA-N 1 0 402.502 2.949 20 30 HFEDRO N#Cc1cc(C#N)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164981592 722116409 /nfs/dbraw/zinc/11/64/09/722116409.db2.gz UPMQZFDHYQOJTD-QFBILLFUSA-N 1 0 408.893 2.601 20 30 HFEDRO N#Cc1cc2c(nc1N1CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C1)CCCC2 ZINC001164983355 722139529 /nfs/dbraw/zinc/13/95/29/722139529.db2.gz UQJWDRMQKXJHST-NFBKMPQASA-N 1 0 403.530 2.954 20 30 HFEDRO C=CC[C@@]1(C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790634114 1078069688 /nfs/dbraw/zinc/06/96/88/1078069688.db2.gz RAQDBWDFSZBYFP-CVDCTZTESA-N 1 0 422.614 2.722 20 30 HFEDRO COc1ccc(C[NH2+]CC(=O)Nc2ccc(I)cc2)cc1C#N ZINC000790608573 1078074728 /nfs/dbraw/zinc/07/47/28/1078074728.db2.gz MEQICQRRIVCMHM-UHFFFAOYSA-N 1 0 421.238 2.900 20 30 HFEDRO C#C[C@@H](CCC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1F ZINC000790696433 1078098650 /nfs/dbraw/zinc/09/86/50/1078098650.db2.gz FTZMGHXMCARFIQ-YJBOKZPZSA-N 1 0 418.538 2.627 20 30 HFEDRO CC(C)=CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1F ZINC000790695876 1078098872 /nfs/dbraw/zinc/09/88/72/1078098872.db2.gz CBMLMQKXJYUAPK-KRWDZBQOSA-N 1 0 406.527 2.791 20 30 HFEDRO COCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000793290485 1078119524 /nfs/dbraw/zinc/11/95/24/1078119524.db2.gz USFFSVQQIPKFKJ-UHFFFAOYSA-N 1 0 402.502 2.785 20 30 HFEDRO COC(=O)c1cc2ccccc2c(C[NH+]2CCN(c3cnccc3C#N)CC2)c1O ZINC000793669110 1078246245 /nfs/dbraw/zinc/24/62/45/1078246245.db2.gz QBSHKWFJMBQOKX-UHFFFAOYSA-N 1 0 402.454 2.921 20 30 HFEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000805179372 1078964621 /nfs/dbraw/zinc/96/46/21/1078964621.db2.gz ASSXLKCFOAUGIV-ZEQRLZLVSA-N 1 0 404.558 2.909 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805814750 1079287838 /nfs/dbraw/zinc/28/78/38/1079287838.db2.gz GLZQGEFRTSUUTJ-IFMALSPDSA-N 1 0 406.530 2.796 20 30 HFEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](C(=O)OCc2ccccc2)c2ccccc2)CC1 ZINC000787541561 1076854605 /nfs/dbraw/zinc/85/46/05/1076854605.db2.gz KZJDEOXYPFEYKG-QHCPKHFHSA-N 1 0 404.510 2.975 20 30 HFEDRO CC(C)(C)OC(=O)NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000788273768 1077095065 /nfs/dbraw/zinc/09/50/65/1077095065.db2.gz BKPASSWIDJKZOI-PMACEKPBSA-N 1 0 414.550 2.864 20 30 HFEDRO CCN(CC)S(=O)(=O)c1ccc(N=NC2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000788409477 1077154391 /nfs/dbraw/zinc/15/43/91/1077154391.db2.gz YVXQNZMGSDTBKS-HNNXBMFYSA-N 1 0 411.528 2.897 20 30 HFEDRO Cc1c(NC(=S)NN=C2CCC[C@H]([NH+](C)C)C2)c(=O)n(-c2ccccc2)n1C ZINC000788415904 1077158119 /nfs/dbraw/zinc/15/81/19/1077158119.db2.gz SJUJKGYHUFKSSG-KRWDZBQOSA-N 1 0 400.552 2.631 20 30 HFEDRO COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1NCc1ccc(C#N)c(F)c1 ZINC001170089233 1077280345 /nfs/dbraw/zinc/28/03/45/1077280345.db2.gz IGPCUHIKLVNJJA-INIZCTEOSA-N 1 0 414.481 2.810 20 30 HFEDRO C#CCn1ccc(CN(CC)C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)n1 ZINC000788858784 1077322389 /nfs/dbraw/zinc/32/23/89/1077322389.db2.gz IMNGAHWYAXKAJM-PMACEKPBSA-N 1 0 423.561 2.857 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000788903283 1077346064 /nfs/dbraw/zinc/34/60/64/1077346064.db2.gz HINBAAKRSJZGGH-UHFFFAOYSA-N 1 0 423.561 2.587 20 30 HFEDRO C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000746812790 1077555098 /nfs/dbraw/zinc/55/50/98/1077555098.db2.gz VWULDOKHLNRGOO-QGZVFWFLSA-N 1 0 411.477 2.803 20 30 HFEDRO C#CCOc1cccc(NC(=O)C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000746806183 1077556182 /nfs/dbraw/zinc/55/61/82/1077556182.db2.gz DJEGEWDJUXPSLM-OAQYLSRUSA-N 1 0 405.498 2.760 20 30 HFEDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)c3ccc(F)c(C#N)c3)CC2)cc1 ZINC000792305328 1077798114 /nfs/dbraw/zinc/79/81/14/1077798114.db2.gz CAJUOCQUGPAHMK-UHFFFAOYSA-N 1 0 409.461 2.897 20 30 HFEDRO CC1(C)O[C@@H]2[C@@H](OCCO)C[C@@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)[C@@H]2O1 ZINC001170362010 1077950563 /nfs/dbraw/zinc/95/05/63/1077950563.db2.gz MIWDAUFHNGTDDY-VZBVBTNVSA-N 1 0 400.519 2.650 20 30 HFEDRO C=CC[C@]1(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCCN1C(=O)OC(C)(C)C ZINC000790219882 1077972886 /nfs/dbraw/zinc/97/28/86/1077972886.db2.gz NLGNEEKVKMFHCZ-XMSQKQJNSA-N 1 0 409.571 2.805 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(CC)cc1 ZINC000792748644 1077984689 /nfs/dbraw/zinc/98/46/89/1077984689.db2.gz OGUMOWWZTRLMFI-RTBURBONSA-N 1 0 414.575 2.660 20 30 HFEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cccc(Cn4cncn4)c3)CC2)c1 ZINC001130563049 1079516352 /nfs/dbraw/zinc/51/63/52/1079516352.db2.gz FZUTYMLOMGUZKV-UHFFFAOYSA-N 1 0 400.486 2.592 20 30 HFEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807246806 1080401972 /nfs/dbraw/zinc/40/19/72/1080401972.db2.gz USRLGYYRNDXEPJ-MOPGFXCFSA-N 1 0 422.554 2.988 20 30 HFEDRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000807248830 1080406007 /nfs/dbraw/zinc/40/60/07/1080406007.db2.gz GMYZIEBWRBCEQE-QGZVFWFLSA-N 1 0 410.543 2.751 20 30 HFEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807250033 1080406708 /nfs/dbraw/zinc/40/67/08/1080406708.db2.gz PDWPJUFNWLFPQM-LIRRHRJNSA-N 1 0 408.527 2.502 20 30 HFEDRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C[N@@H+]1C1CC1 ZINC000807249939 1080407243 /nfs/dbraw/zinc/40/72/43/1080407243.db2.gz MKDBMSGAOVWQCM-RHSMWYFYSA-N 1 0 408.527 2.644 20 30 HFEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000807249299 1080409552 /nfs/dbraw/zinc/40/95/52/1080409552.db2.gz PHSLFJWPLGHBIU-AZUAARDMSA-N 1 0 422.554 2.846 20 30 HFEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000807335811 1080536158 /nfs/dbraw/zinc/53/61/58/1080536158.db2.gz ONGGVQQPRRFTDY-NRFANRHFSA-N 1 0 418.541 2.518 20 30 HFEDRO CSc1nc(Cl)c(C=NO)c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729254 720356755 /nfs/dbraw/zinc/35/67/55/720356755.db2.gz XQKBLNOGZZCCPB-LSDHHAIUSA-N 1 0 404.927 2.908 20 30 HFEDRO N#Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc2ccc(Cl)cc12 ZINC001164750504 720800250 /nfs/dbraw/zinc/80/02/50/720800250.db2.gz VVUAQQKUMXFGFF-IRXDYDNUSA-N 1 0 406.877 2.892 20 30 HFEDRO CC1(C)CCCc2cc(C#N)c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc21 ZINC001164742719 720803959 /nfs/dbraw/zinc/80/39/59/720803959.db2.gz DCZSZLRKYWAXJH-MOPGFXCFSA-N 1 0 404.518 2.699 20 30 HFEDRO N#CC1(c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2)CCC1 ZINC001164745128 720828418 /nfs/dbraw/zinc/82/84/18/720828418.db2.gz WMBJYNGOPROJDP-ILWGZMRPSA-N 1 0 417.561 2.998 20 30 HFEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccc(F)cc4)ccc3C#N)CC[C@H]2C1 ZINC001164852986 720835982 /nfs/dbraw/zinc/83/59/82/720835982.db2.gz MVFBQHSUKWBFNW-UGKGYDQZSA-N 1 0 410.493 2.933 20 30 HFEDRO N#CCc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164749669 720854581 /nfs/dbraw/zinc/85/45/81/720854581.db2.gz NZQKDRYDJYBDML-WSTZPKSXSA-N 1 0 411.941 2.772 20 30 HFEDRO CSc1nc(Cl)c(C#N)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164871480 721041263 /nfs/dbraw/zinc/04/12/63/721041263.db2.gz ZDHIEDGSPKWISI-GJZGRUSLSA-N 1 0 416.938 2.598 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(C#N)ccc4NC(=O)C(C)(C)C)C[C@@H]3C2)cn1 ZINC001164773346 721174549 /nfs/dbraw/zinc/17/45/49/721174549.db2.gz WMOQAHAFDYKDNW-MSOLQXFVSA-N 1 0 421.549 2.630 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OC)c(C#N)cn1)CC2 ZINC001164790440 721450015 /nfs/dbraw/zinc/45/00/15/721450015.db2.gz ZBJZVOHEDSZSIC-HXUWFJFHSA-N 1 0 414.550 2.696 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nnc(Cl)cc1C#N)CC2 ZINC001164785952 721454289 /nfs/dbraw/zinc/45/42/89/721454289.db2.gz KAKKAZIOSGYSBR-GOSISDBHSA-N 1 0 419.957 2.736 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(F)c1C#N)CC2 ZINC001164784668 721461779 /nfs/dbraw/zinc/46/17/79/721461779.db2.gz JIKCICACNNULNS-GOSISDBHSA-N 1 0 402.514 2.826 20 30 HFEDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3ccncc3)ccc2C#N)CC1 ZINC001165011496 721743862 /nfs/dbraw/zinc/74/38/62/721743862.db2.gz XXKHJNUWWSHBME-UHFFFAOYSA-N 1 0 404.518 2.538 20 30 HFEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3[nH]cc(C#N)c32)CC1 ZINC001165017453 721837876 /nfs/dbraw/zinc/83/78/76/721837876.db2.gz MNGMQBVDDQLNLW-UHFFFAOYSA-N 1 0 406.490 2.948 20 30 HFEDRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc(COc2ccc(CC#N)cc2)cn1 ZINC001164935103 721880848 /nfs/dbraw/zinc/88/08/48/721880848.db2.gz VVMCIFGBVGZYRM-PKTZIBPZSA-N 1 0 405.546 2.941 20 30 HFEDRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(COc2ccc(CC#N)cc2)cn1 ZINC001164935102 721881062 /nfs/dbraw/zinc/88/10/62/721881062.db2.gz VVMCIFGBVGZYRM-GOTSBHOMSA-N 1 0 405.546 2.941 20 30 HFEDRO C=CCOc1cc(C)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164962192 722056350 /nfs/dbraw/zinc/05/63/50/722056350.db2.gz BASFDLCXCXBXOB-UHFFFAOYSA-N 1 0 409.534 2.864 20 30 HFEDRO COc1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(F)cc1C#N ZINC001164962412 722059390 /nfs/dbraw/zinc/05/93/90/722059390.db2.gz RRJZBTSARAZWIL-UHFFFAOYSA-N 1 0 411.481 2.615 20 30 HFEDRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1nc(Cl)ccc1C#N)CCC2 ZINC001165003083 722254121 /nfs/dbraw/zinc/25/41/21/722254121.db2.gz YXRNNKWRETVQOU-UHFFFAOYSA-N 1 0 424.883 2.837 20 30 HFEDRO C=CC[C@]1(C(=O)N2CC[NH+](CC3CCOCC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790657280 1078094907 /nfs/dbraw/zinc/09/49/07/1078094907.db2.gz GDODEDJXBGBEAB-HSZRJFAPSA-N 1 0 421.582 2.903 20 30 HFEDRO C=CC[C@]1(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790741227 1078121324 /nfs/dbraw/zinc/12/13/24/1078121324.db2.gz FHIMAPIDIXYLSC-PGRDOPGGSA-N 1 0 407.555 2.513 20 30 HFEDRO C#C[C@H](CCC)N1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790746474 1078123187 /nfs/dbraw/zinc/12/31/87/1078123187.db2.gz ILOWDERIPZWFJD-IAGOWNOFSA-N 1 0 420.604 2.940 20 30 HFEDRO C=CC[C@]1(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790771983 1078129539 /nfs/dbraw/zinc/12/95/39/1078129539.db2.gz JBMHMXUSFDJDTO-XMSQKQJNSA-N 1 0 407.555 2.702 20 30 HFEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000790866350 1078163717 /nfs/dbraw/zinc/16/37/17/1078163717.db2.gz NGZPMQHBCFNNLA-FQEVSTJZSA-N 1 0 402.416 2.940 20 30 HFEDRO C[C@@H](NC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000804403243 1078466770 /nfs/dbraw/zinc/46/67/70/1078466770.db2.gz ZJBHVMBKVBNVGP-KOSHJBKYSA-N 1 0 404.514 2.764 20 30 HFEDRO C[N@H+](CCNC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C1CCCC1 ZINC000804818924 1078661135 /nfs/dbraw/zinc/66/11/35/1078661135.db2.gz LROVUXAIHOFILQ-UHFFFAOYSA-N 1 0 410.543 2.894 20 30 HFEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000804891062 1078750256 /nfs/dbraw/zinc/75/02/56/1078750256.db2.gz FYXBDGUZCGPWES-MRXNPFEDSA-N 1 0 409.452 2.788 20 30 HFEDRO C#C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1F ZINC000805779312 1079249765 /nfs/dbraw/zinc/24/97/65/1079249765.db2.gz UIEVTDOPHGJRPD-IYHXRUFHSA-N 1 0 420.916 2.536 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805808613 1079283781 /nfs/dbraw/zinc/28/37/81/1079283781.db2.gz VSNDSGJUVOZXMG-VXKWHMMOSA-N 1 0 406.530 2.938 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)c1ccncc1 ZINC000805809732 1079284302 /nfs/dbraw/zinc/28/43/02/1079284302.db2.gz WYVAMKIURZPGCD-JOCHJYFZSA-N 1 0 406.530 2.938 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1ccncc1 ZINC000805813524 1079286969 /nfs/dbraw/zinc/28/69/69/1079286969.db2.gz GVRCQKAUDZHCEE-LJQANCHMSA-N 1 0 416.591 2.683 20 30 HFEDRO CCOCCC[N@@H+]1CC[C@H](NCc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H](C)C1 ZINC000787303475 1076751899 /nfs/dbraw/zinc/75/18/99/1076751899.db2.gz MAUCLPBGZKAVFN-IHPCNDPISA-N 1 0 421.545 2.950 20 30 HFEDRO C=C(Br)CNC(=O)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000787501384 1076827763 /nfs/dbraw/zinc/82/77/63/1076827763.db2.gz QDPVUHZIJYMMQZ-GJZGRUSLSA-N 1 0 422.367 2.806 20 30 HFEDRO CN(C[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)C(=O)OC(C)(C)C ZINC001170075894 1076901745 /nfs/dbraw/zinc/90/17/45/1076901745.db2.gz WLBAZYGNEAUKDV-MRXNPFEDSA-N 1 0 407.486 2.768 20 30 HFEDRO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H]([N@@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC000787716917 1076924662 /nfs/dbraw/zinc/92/46/62/1076924662.db2.gz KFKSIANHQIECRJ-OFNKIYASSA-N 1 0 414.550 2.831 20 30 HFEDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnc1Br ZINC000788159965 1077071395 /nfs/dbraw/zinc/07/13/95/1077071395.db2.gz FMELCSQCYBUPBX-UHFFFAOYSA-N 1 0 417.307 2.928 20 30 HFEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC([C@H](O)c3ncc[nH]3)CC1)CCCC2 ZINC000788473861 1077171367 /nfs/dbraw/zinc/17/13/67/1077171367.db2.gz XCSCUAIGKDEDTI-IBGZPJMESA-N 1 0 413.547 2.996 20 30 HFEDRO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)s1 ZINC000788573331 1077209964 /nfs/dbraw/zinc/20/99/64/1077209964.db2.gz OUBAUNOZPJQKMP-ZWKOTPCHSA-N 1 0 408.527 2.646 20 30 HFEDRO C#CC[NH+]1CCC(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC000791030389 1077276526 /nfs/dbraw/zinc/27/65/26/1077276526.db2.gz AOKRLAUUMDOQKR-UHFFFAOYSA-N 1 0 403.567 2.971 20 30 HFEDRO COC(=O)c1ccc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)c(C#N)n1 ZINC001170149244 1077307606 /nfs/dbraw/zinc/30/76/06/1077307606.db2.gz QAPSZSXHCKPFAY-UHFFFAOYSA-N 1 0 415.457 2.649 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000788898639 1077344054 /nfs/dbraw/zinc/34/40/54/1077344054.db2.gz SWOPBLRWUWZBBT-FPOVZHCZSA-N 1 0 409.534 2.510 20 30 HFEDRO Cc1cnc2c(N(CC[NH3+])c3cnc(C#N)c([N+](=O)[O-])c3)nc3ccc(C)cc3n12 ZINC001170151213 1077353906 /nfs/dbraw/zinc/35/39/06/1077353906.db2.gz YSKCZYKBHXHNHY-UHFFFAOYSA-N 1 0 402.418 2.771 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)n1 ZINC000789125270 1077425724 /nfs/dbraw/zinc/42/57/24/1077425724.db2.gz UEENGEBKKPXWQE-UHFFFAOYSA-N 1 0 415.582 2.717 20 30 HFEDRO COc1cccc(C2=NO[C@H](C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)C2)c1 ZINC000791517351 1077452863 /nfs/dbraw/zinc/45/28/63/1077452863.db2.gz XCBRYLFFCIIAMS-QFIPXVFZSA-N 1 0 406.486 2.650 20 30 HFEDRO C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000746812788 1077555027 /nfs/dbraw/zinc/55/50/27/1077555027.db2.gz VWULDOKHLNRGOO-KRWDZBQOSA-N 1 0 411.477 2.803 20 30 HFEDRO CCn1cc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)c2sc(C#N)cc2c1=O ZINC001170170465 1077894856 /nfs/dbraw/zinc/89/48/56/1077894856.db2.gz SHDVVAQGUXRARH-UHFFFAOYSA-N 1 0 422.514 2.823 20 30 HFEDRO CCOC(=O)c1ccc(OC(=O)CCCCCNC(=[NH2+])Nc2cc(C#N)ncn2)cc1 ZINC001170269023 1077923265 /nfs/dbraw/zinc/92/32/65/1077923265.db2.gz IGOXVLQPXPVYAD-UHFFFAOYSA-N 1 0 424.461 2.627 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000790105389 1077950821 /nfs/dbraw/zinc/95/08/21/1077950821.db2.gz HEQQIQFXBRPIJV-FQEVSTJZSA-N 1 0 412.509 2.543 20 30 HFEDRO N#CC1(c2ccccc2)CCC(n2nc(C(=O)N3CCOCC3)c3c2C[NH2+]C3)CC1 ZINC001170381752 1077963870 /nfs/dbraw/zinc/96/38/70/1077963870.db2.gz XXDIOQKYRHAONN-UHFFFAOYSA-N 1 0 405.502 2.535 20 30 HFEDRO CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2C1CCC(C#N)(c2ccccc2)CC1 ZINC001170383878 1077964499 /nfs/dbraw/zinc/96/44/99/1077964499.db2.gz RKMSBCVEVIUAFE-QOPWXXACSA-N 1 0 411.546 2.727 20 30 HFEDRO C=CCCCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(F)cc1 ZINC000790280547 1077983870 /nfs/dbraw/zinc/98/38/70/1077983870.db2.gz LHVQKGRZBFXOGI-KRWDZBQOSA-N 1 0 406.527 2.791 20 30 HFEDRO C=CCCCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(F)cc1F ZINC000790280709 1077983927 /nfs/dbraw/zinc/98/39/27/1077983927.db2.gz KDDFVYWTAAMAGD-KRWDZBQOSA-N 1 0 424.517 2.930 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cc(C)ccc1C ZINC000792750071 1077984685 /nfs/dbraw/zinc/98/46/85/1077984685.db2.gz IQTNBWCSFPKVDZ-MJGOQNOKSA-N 1 0 414.575 2.715 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cccc(CC)c1 ZINC000792749928 1077984911 /nfs/dbraw/zinc/98/49/11/1077984911.db2.gz RRKSSVIRXWEAPS-MOPGFXCFSA-N 1 0 414.575 2.660 20 30 HFEDRO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)c2)s1 ZINC000790275517 1077993922 /nfs/dbraw/zinc/99/39/22/1077993922.db2.gz ZLJPWWQOLTUHIG-RBUKOAKNSA-N 1 0 408.527 2.646 20 30 HFEDRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)/C=C/c3ccccc3C#N)cc2)CC1 ZINC000806318056 1079571216 /nfs/dbraw/zinc/57/12/16/1079571216.db2.gz RDAZCVPPDYSZJO-KPKJPENVSA-N 1 0 418.497 2.895 20 30 HFEDRO C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(-n3ccnc3)cc2)cc1 ZINC000806457198 1079727321 /nfs/dbraw/zinc/72/73/21/1079727321.db2.gz GOIAKJYHRGNDEO-HNNXBMFYSA-N 1 0 409.471 2.880 20 30 HFEDRO C#CCN(Cc1ccccc1)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000806761766 1079982032 /nfs/dbraw/zinc/98/20/32/1079982032.db2.gz LUNLWJVMRUDVPV-HSZRJFAPSA-N 1 0 418.541 2.729 20 30 HFEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000807113158 1080291628 /nfs/dbraw/zinc/29/16/28/1080291628.db2.gz ACQMENYYRISSEC-IAGOWNOFSA-N 1 0 422.504 2.586 20 30 HFEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807250030 1080406581 /nfs/dbraw/zinc/40/65/81/1080406581.db2.gz PDWPJUFNWLFPQM-AUUYWEPGSA-N 1 0 408.527 2.502 20 30 HFEDRO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)c2)s1 ZINC000807249727 1080407998 /nfs/dbraw/zinc/40/79/98/1080407998.db2.gz FFOZDHQQNQXEPG-LJQANCHMSA-N 1 0 422.554 2.990 20 30 HFEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC[C@H]21 ZINC000807249847 1080408034 /nfs/dbraw/zinc/40/80/34/1080408034.db2.gz JEFGTOATRMSKCY-AZUAARDMSA-N 1 0 422.554 2.846 20 30 HFEDRO C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]([NH2+][C@@H](C)CC)c1ccco1 ZINC000807311100 1080503870 /nfs/dbraw/zinc/50/38/70/1080503870.db2.gz YHIOEFGLVMITCG-YOEHRIQHSA-N 1 0 401.438 2.615 20 30 HFEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000807465238 1080642446 /nfs/dbraw/zinc/64/24/46/1080642446.db2.gz GWAHEPQWCVFLEU-VXNXHJTFSA-N 1 0 405.542 2.803 20 30 HFEDRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(Cl)nc(Cl)c1C#N ZINC001164614044 719012344 /nfs/dbraw/zinc/01/23/44/719012344.db2.gz BNNIFOSZVNTVNS-ZHAHWJHGSA-N 1 0 405.232 2.535 20 30 HFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001164619210 719119511 /nfs/dbraw/zinc/11/95/11/719119511.db2.gz CYDUMDGZPKPCHF-YPMHNXCESA-N 1 0 416.831 2.841 20 30 HFEDRO Cc1cc(Cl)nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1C#N ZINC001164813234 720211303 /nfs/dbraw/zinc/21/13/03/720211303.db2.gz NRYWZYRCZFZVMB-UHFFFAOYSA-N 1 0 400.914 2.722 20 30 HFEDRO Cc1nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c(Cl)cc1C#N ZINC001164817948 720245971 /nfs/dbraw/zinc/24/59/71/720245971.db2.gz VAFJTUPETXZJOT-UHFFFAOYSA-N 1 0 400.914 2.722 20 30 HFEDRO C=CCNC(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164840732 720601848 /nfs/dbraw/zinc/60/18/48/720601848.db2.gz QMKWJGOVNHQLMQ-IRFCIJBXSA-N 1 0 408.550 2.572 20 30 HFEDRO Cc1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164746881 720741412 /nfs/dbraw/zinc/74/14/12/720741412.db2.gz YUORESNZHKTFIQ-VQTJNVASSA-N 1 0 407.594 2.751 20 30 HFEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C#N)c4cc(Cl)ccc4n3)CC[C@@H]2C1 ZINC001164860792 720886844 /nfs/dbraw/zinc/88/68/44/720886844.db2.gz PEAHJJLXKICGDY-FOIQADDNSA-N 1 0 400.910 2.933 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)cc4C#N)C[C@@H]3C2)cn1 ZINC001164770167 721174242 /nfs/dbraw/zinc/17/42/42/721174242.db2.gz NZYVDRCEAFFQJZ-HOCLYGCPSA-N 1 0 406.868 2.843 20 30 HFEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nccc5ccc(C#N)cc54)C3)O2)CC1 ZINC001164886136 721404366 /nfs/dbraw/zinc/40/43/66/721404366.db2.gz HVESEXSGDFFCFK-ZJSXRUAMSA-N 1 0 405.546 2.872 20 30 HFEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(C#N)c5ccccc5n4)C3)O2)CC1 ZINC001164893085 721434294 /nfs/dbraw/zinc/43/42/94/721434294.db2.gz IYMHOTLSOJLMOW-RDPSFJRHSA-N 1 0 405.546 2.872 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3[nH]cc(C#N)c31)CC2 ZINC001164789406 721448504 /nfs/dbraw/zinc/44/85/04/721448504.db2.gz VNLWUTHCMISZIX-IBGZPJMESA-N 1 0 424.549 2.563 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nnc(Cl)cc1C#N)CC2 ZINC001164785953 721454862 /nfs/dbraw/zinc/45/48/62/721454862.db2.gz KAKKAZIOSGYSBR-SFHVURJKSA-N 1 0 419.957 2.736 20 30 HFEDRO CSc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)c1C#N ZINC001164927400 721869797 /nfs/dbraw/zinc/86/97/97/721869797.db2.gz UUZIDXCTAHIGGZ-RTBURBONSA-N 1 0 408.575 2.952 20 30 HFEDRO N#Cc1cc(C#N)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1Cl ZINC001164964681 722055610 /nfs/dbraw/zinc/05/56/10/722055610.db2.gz WPZNNGMWHAWECI-UHFFFAOYSA-N 1 0 422.920 2.992 20 30 HFEDRO C=CC[C@@]1(C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790634120 1078069533 /nfs/dbraw/zinc/06/95/33/1078069533.db2.gz RAQDBWDFSZBYFP-XXBNENTESA-N 1 0 422.614 2.722 20 30 HFEDRO C=CC[C@@]1(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790648442 1078093456 /nfs/dbraw/zinc/09/34/56/1078093456.db2.gz YKQMFWBWAIDVLC-CVDCTZTESA-N 1 0 420.598 2.571 20 30 HFEDRO CC(N=Nc1cccc(Cl)n1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000793173716 1078094266 /nfs/dbraw/zinc/09/42/66/1078094266.db2.gz BJEOHZBTQYUVEG-UHFFFAOYSA-N 1 0 409.943 2.801 20 30 HFEDRO CC(C)=CCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(C)cc1 ZINC000790688292 1078096990 /nfs/dbraw/zinc/09/69/90/1078096990.db2.gz BGXOUCPSKSNVDZ-GOSISDBHSA-N 1 0 402.564 2.961 20 30 HFEDRO C=CC[C@@]1(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790770651 1078129159 /nfs/dbraw/zinc/12/91/59/1078129159.db2.gz HFTBSLDMPKJALO-QFIPXVFZSA-N 1 0 409.571 2.684 20 30 HFEDRO C#C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)cc1F ZINC000804900525 1078755347 /nfs/dbraw/zinc/75/53/47/1078755347.db2.gz WTSRRPXVDNQJFM-IBGZPJMESA-N 1 0 415.900 2.800 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccncc1 ZINC000805810136 1079285158 /nfs/dbraw/zinc/28/51/58/1079285158.db2.gz AGNAYPGMYFYDJV-DYESRHJHSA-N 1 0 407.518 2.552 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)c1ccncc1 ZINC000805809733 1079284241 /nfs/dbraw/zinc/28/42/41/1079284241.db2.gz WYVAMKIURZPGCD-QFIPXVFZSA-N 1 0 406.530 2.938 20 30 HFEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 ZINC000806170915 1079460933 /nfs/dbraw/zinc/46/09/33/1079460933.db2.gz JYTJUUDIZOJNTQ-DOTOQJQBSA-N 1 0 401.960 2.739 20 30 HFEDRO N#Cc1ccc(F)c(CNC(=O)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000787735874 1076935749 /nfs/dbraw/zinc/93/57/49/1076935749.db2.gz IEPYKRVRFSOZPE-NRFANRHFSA-N 1 0 408.477 2.657 20 30 HFEDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC001626111948 1077154054 /nfs/dbraw/zinc/15/40/54/1077154054.db2.gz UETPEQJKTWGCPT-INIZCTEOSA-N 1 0 410.478 2.834 20 30 HFEDRO NC(=[NH+]OCc1ncc(Br)s1)c1ccc(N2CCC(O)CC2)cc1 ZINC000788503470 1077184469 /nfs/dbraw/zinc/18/44/69/1077184469.db2.gz UHQBCQXCDYMZJO-UHFFFAOYSA-N 1 0 411.325 2.704 20 30 HFEDRO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)s1 ZINC000788573325 1077209946 /nfs/dbraw/zinc/20/99/46/1077209946.db2.gz OUBAUNOZPJQKMP-MSOLQXFVSA-N 1 0 408.527 2.646 20 30 HFEDRO C#CCn1ccc(CN(CC)C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)n1 ZINC000788858785 1077322257 /nfs/dbraw/zinc/32/22/57/1077322257.db2.gz IMNGAHWYAXKAJM-WOJBJXKFSA-N 1 0 423.561 2.857 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](CC)[N@@H+]2CCc3ccccc3C2)n1 ZINC000788867694 1077324721 /nfs/dbraw/zinc/32/47/21/1077324721.db2.gz YJIUSMVFHQCVBG-QHCPKHFHSA-N 1 0 423.561 2.511 20 30 HFEDRO Cc1c(Br)c(C)n(NC(=O)c2cccc(C[NH+](C)C)c2)c(=O)c1C#N ZINC000791171712 1077326633 /nfs/dbraw/zinc/32/66/33/1077326633.db2.gz YFKJSVIDVFICKO-UHFFFAOYSA-N 1 0 403.280 2.545 20 30 HFEDRO C#CC[NH+]1CCC(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000791235108 1077339798 /nfs/dbraw/zinc/33/97/98/1077339798.db2.gz PZFIREALAVMSNZ-UHFFFAOYSA-N 1 0 406.280 2.587 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000789068669 1077396265 /nfs/dbraw/zinc/39/62/65/1077396265.db2.gz YKJRCVQUOKIKLQ-OFNKIYASSA-N 1 0 423.561 2.585 20 30 HFEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)C2CCN(c3cnccn3)CC2)cc1C ZINC000789372718 1077543531 /nfs/dbraw/zinc/54/35/31/1077543531.db2.gz YONYVTFVUCGVRJ-UHFFFAOYSA-N 1 0 406.534 2.941 20 30 HFEDRO C#CCOc1cccc(NC(=O)C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000746806182 1077556223 /nfs/dbraw/zinc/55/62/23/1077556223.db2.gz DJEGEWDJUXPSLM-NRFANRHFSA-N 1 0 405.498 2.760 20 30 HFEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000789714749 1077753484 /nfs/dbraw/zinc/75/34/84/1077753484.db2.gz BELAZWXJTRIENK-KRWDZBQOSA-N 1 0 408.329 2.950 20 30 HFEDRO C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000792249398 1077764757 /nfs/dbraw/zinc/76/47/57/1077764757.db2.gz IVAOFASGUVDUTA-INIZCTEOSA-N 1 0 403.527 2.545 20 30 HFEDRO CC[NH+](CC)CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000789749914 1077781872 /nfs/dbraw/zinc/78/18/72/1077781872.db2.gz LCCSAEJZDSDJLP-UHFFFAOYSA-N 1 0 401.488 2.858 20 30 HFEDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001170366541 1077951160 /nfs/dbraw/zinc/95/11/60/1077951160.db2.gz YXHNUYXODZFJMT-NJYVYQBISA-N 1 0 415.534 2.986 20 30 HFEDRO N#CC1(c2ccccc2)CCC([N@@H+]2C[C@@H]3COC[C@H](C(=O)N4CCCO4)[C@@H]3C2)CC1 ZINC001170381041 1077963558 /nfs/dbraw/zinc/96/35/58/1077963558.db2.gz FLSQNIQPYCLYOF-UTTATTEKSA-N 1 0 409.530 2.749 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(Cl)cc1 ZINC000792746378 1077983052 /nfs/dbraw/zinc/98/30/52/1077983052.db2.gz GESDNZGEDWCYAL-IAGOWNOFSA-N 1 0 420.966 2.751 20 30 HFEDRO CC(C)Oc1ccc([C@H](CNC(=O)NCCNc2ncccc2C#N)[NH+](C)C)cc1 ZINC000806535528 1079806956 /nfs/dbraw/zinc/80/69/56/1079806956.db2.gz VKBYOXPMYZWPNE-FQEVSTJZSA-N 1 0 410.522 2.754 20 30 HFEDRO C#CCOc1ccccc1CNC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000806810814 1080024412 /nfs/dbraw/zinc/02/44/12/1080024412.db2.gz CTTGCMXHNOIDBI-UHFFFAOYSA-N 1 0 420.557 2.658 20 30 HFEDRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000807249859 1080407307 /nfs/dbraw/zinc/40/73/07/1080407307.db2.gz JPLYJCGBDNGSOU-SFHVURJKSA-N 1 0 410.543 2.892 20 30 HFEDRO CCOC(=O)C1C[N@H+](Cc2ccccc2)CCC1=Nc1nc(C)nc(OC)c1C#N ZINC001170522022 1080494919 /nfs/dbraw/zinc/49/49/19/1080494919.db2.gz UNKXCNCQBVTNSL-UHFFFAOYSA-N 1 0 407.474 2.800 20 30 HFEDRO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H]([NH2+][C@@H](C)CC)c1ccco1 ZINC000807310437 1080503899 /nfs/dbraw/zinc/50/38/99/1080503899.db2.gz IOJHTKKBRWAZDT-YOEHRIQHSA-N 1 0 401.438 2.615 20 30 HFEDRO C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000807336145 1080535262 /nfs/dbraw/zinc/53/52/62/1080535262.db2.gz WWJPGPRCLXCACG-JOCHJYFZSA-N 1 0 418.541 2.518 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)n1 ZINC000807407258 1080601039 /nfs/dbraw/zinc/60/10/39/1080601039.db2.gz MIAIHUGJUWDBKT-UGKGYDQZSA-N 1 0 411.550 2.674 20 30 HFEDRO C#CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc1 ZINC000807509276 1080712753 /nfs/dbraw/zinc/71/27/53/1080712753.db2.gz GJIJCBDVJKHBPH-QFIPXVFZSA-N 1 0 423.513 2.843 20 30 HFEDRO C#C[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)C(C)(C)C ZINC000807534832 1080749822 /nfs/dbraw/zinc/74/98/22/1080749822.db2.gz NEJMFGWOUAQGGX-LJQANCHMSA-N 1 0 412.534 2.604 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000747403985 1080770394 /nfs/dbraw/zinc/77/03/94/1080770394.db2.gz DUMUNGDYNNUWKP-UHFFFAOYSA-N 1 0 411.893 2.600 20 30 HFEDRO N#Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH2+]C[C@]4(CO)C3)cnc2Cl)cc1 ZINC001164408248 718855093 /nfs/dbraw/zinc/85/50/93/718855093.db2.gz ROMJRYJFVGDTFH-QFBILLFUSA-N 1 0 404.848 2.837 20 30 HFEDRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(Cl)nc(Cl)c1C#N ZINC001164614041 719012504 /nfs/dbraw/zinc/01/25/04/719012504.db2.gz BNNIFOSZVNTVNS-JFUSQASVSA-N 1 0 405.232 2.535 20 30 HFEDRO CCOC(=O)c1cc(C)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c1C#N ZINC001164813148 720093497 /nfs/dbraw/zinc/09/34/97/720093497.db2.gz SSVDQTNNSFKFNA-MBSDFSHPSA-N 1 0 412.534 2.623 20 30 HFEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nnc(Cl)cc1C#N)CC2 ZINC001164712147 720106066 /nfs/dbraw/zinc/10/60/66/720106066.db2.gz VZEMYESWHWNDPH-SFHVURJKSA-N 1 0 412.925 2.904 20 30 HFEDRO Cc1nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)cc1C#N ZINC001164821789 720353233 /nfs/dbraw/zinc/35/32/33/720353233.db2.gz BZJNIZOXYFFPJD-RBUKOAKNSA-N 1 0 401.942 2.827 20 30 HFEDRO CSc1nc(Cl)c(C=NO)c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729253 720356652 /nfs/dbraw/zinc/35/66/52/720356652.db2.gz XQKBLNOGZZCCPB-HUUCEWRRSA-N 1 0 404.927 2.908 20 30 HFEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc([C@@H](C#N)c3ccccc3F)nn2)C1 ZINC001164731432 720518849 /nfs/dbraw/zinc/51/88/49/720518849.db2.gz XELTUEPOLAYOOP-WMZOPIPTSA-N 1 0 405.481 2.666 20 30 HFEDRO N#Cc1cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001164738202 720594144 /nfs/dbraw/zinc/59/41/44/720594144.db2.gz AWSRATBRBBZZCA-UHFFFAOYSA-N 1 0 417.473 2.870 20 30 HFEDRO C=CCNC(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164840737 720603223 /nfs/dbraw/zinc/60/32/23/720603223.db2.gz QMKWJGOVNHQLMQ-SFHLNBCPSA-N 1 0 408.550 2.572 20 30 HFEDRO N#CC1(c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2)CCC1 ZINC001164745127 720828470 /nfs/dbraw/zinc/82/84/70/720828470.db2.gz WMBJYNGOPROJDP-CEMLEFRQSA-N 1 0 417.561 2.998 20 30 HFEDRO N#Cc1ccc(-c2ccncc2)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880922 721135797 /nfs/dbraw/zinc/13/57/97/721135797.db2.gz XOTYTKQOAWVBAS-YADHBBJMSA-N 1 0 412.497 2.890 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(C#N)c4)C[C@H]3C2)cn1 ZINC001164769912 721135857 /nfs/dbraw/zinc/13/58/57/721135857.db2.gz QAOCCRYURDHEFH-GDBMZVCRSA-N 1 0 406.868 2.843 20 30 HFEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(C5(C#N)CCC5)cn4)C3)O2)CC1 ZINC001164883594 721411029 /nfs/dbraw/zinc/41/10/29/721411029.db2.gz BEDWCIDMUODPKY-ZJSXRUAMSA-N 1 0 409.578 2.792 20 30 HFEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(C5(C#N)CCC5)cn4)C3)O2)CC1 ZINC001164883587 721411069 /nfs/dbraw/zinc/41/10/69/721411069.db2.gz BEDWCIDMUODPKY-QPPBQGQZSA-N 1 0 409.578 2.792 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(C#N)c1F)CC2 ZINC001164784243 721459305 /nfs/dbraw/zinc/45/93/05/721459305.db2.gz HFJWGDBRHNHLSU-LJQANCHMSA-N 1 0 402.514 2.826 20 30 HFEDRO N#Cc1c[nH]c2nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)ccc12 ZINC001164963231 722057227 /nfs/dbraw/zinc/05/72/27/722057227.db2.gz JFZFPCRMLKDDNE-UHFFFAOYSA-N 1 0 402.502 2.949 20 30 HFEDRO N#Cc1cc(F)c(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976538 722100366 /nfs/dbraw/zinc/10/03/66/722100366.db2.gz DVHMIVDJRKCSBU-QAPCUYQASA-N 1 0 401.873 2.868 20 30 HFEDRO COCC1(C[NH2+]Cc2cnc3ccc(C#N)cn23)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790651869 1078094112 /nfs/dbraw/zinc/09/41/12/1078094112.db2.gz FUEJWSFCZVIBPT-UHFFFAOYSA-N 1 0 413.522 2.959 20 30 HFEDRO C#CCCCN1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790755520 1078111310 /nfs/dbraw/zinc/11/13/10/1078111310.db2.gz ABTJQHPTMOZJBL-MRXNPFEDSA-N 1 0 406.577 2.551 20 30 HFEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000790746488 1078123282 /nfs/dbraw/zinc/12/32/82/1078123282.db2.gz IUIOHSQKSJZZQS-UHFFFAOYSA-N 1 0 423.479 2.800 20 30 HFEDRO C#C[C@@H](CCC)N1C(=O)[C@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790746475 1078123291 /nfs/dbraw/zinc/12/32/91/1078123291.db2.gz ILOWDERIPZWFJD-IRXDYDNUSA-N 1 0 420.604 2.940 20 30 HFEDRO C=CC[C@@]1(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790771979 1078129546 /nfs/dbraw/zinc/12/95/46/1078129546.db2.gz JBMHMXUSFDJDTO-GCJKJVERSA-N 1 0 407.555 2.702 20 30 HFEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 ZINC000793443975 1078173013 /nfs/dbraw/zinc/17/30/13/1078173013.db2.gz JOPRWUUCCMMCKV-NHCUHLMSSA-N 1 0 422.529 2.735 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000793843323 1078312266 /nfs/dbraw/zinc/31/22/66/1078312266.db2.gz UCCOSTBCPPGXLZ-IFMALSPDSA-N 1 0 406.530 2.843 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000793843329 1078312276 /nfs/dbraw/zinc/31/22/76/1078312276.db2.gz UCCOSTBCPPGXLZ-RBBKRZOGSA-N 1 0 406.530 2.843 20 30 HFEDRO CC[NH+](CC)CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000794043120 1078364887 /nfs/dbraw/zinc/36/48/87/1078364887.db2.gz PPWYXZRLNGMIGV-UHFFFAOYSA-N 1 0 419.478 2.997 20 30 HFEDRO C#C[C@H](NC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1)c1ccc(Cl)cc1F ZINC000804419400 1078468616 /nfs/dbraw/zinc/46/86/16/1078468616.db2.gz MCVDDYJMQHTMLZ-QOKNQOGYSA-N 1 0 405.901 2.602 20 30 HFEDRO C#CC[C@H](Cc1ccccc1)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C ZINC000804453306 1078491138 /nfs/dbraw/zinc/49/11/38/1078491138.db2.gz DKAFOTIKJGZPAS-OAQYLSRUSA-N 1 0 413.525 2.928 20 30 HFEDRO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)c2)s1 ZINC000804731429 1078589191 /nfs/dbraw/zinc/58/91/91/1078589191.db2.gz NITVFCJTXHOINY-SFHVURJKSA-N 1 0 408.527 2.503 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000805199376 1078952714 /nfs/dbraw/zinc/95/27/14/1078952714.db2.gz YXYQHXKYBMWCNI-ZJSXRUAMSA-N 1 0 406.530 2.986 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805805918 1079282194 /nfs/dbraw/zinc/28/21/94/1079282194.db2.gz GSZOQRHFOGAXQG-YADHBBJMSA-N 1 0 406.530 2.938 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000805807418 1079282710 /nfs/dbraw/zinc/28/27/10/1079282710.db2.gz HIOQWQHUBXOSQM-QIJUGHKUSA-N 1 0 406.530 2.842 20 30 HFEDRO C=C(Br)CNC(=O)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000787497532 1076826528 /nfs/dbraw/zinc/82/65/28/1076826528.db2.gz JKBXIMWDZMHSTE-HUUCEWRRSA-N 1 0 422.367 2.806 20 30 HFEDRO C=CCSc1nc2ccccc2n1C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000788388241 1077139530 /nfs/dbraw/zinc/13/95/30/1077139530.db2.gz QUAYGDISDMJBAM-MRXNPFEDSA-N 1 0 406.577 2.772 20 30 HFEDRO C#CC[NH+]1CCC(C(=O)N2CCC(c3noc(-c4ccccc4OC)n3)CC2)CC1 ZINC000791051821 1077284029 /nfs/dbraw/zinc/28/40/29/1077284029.db2.gz WZDDGVQETKTDLF-UHFFFAOYSA-N 1 0 408.502 2.796 20 30 HFEDRO C#CCn1ccc(CN(CC)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000788999705 1077377407 /nfs/dbraw/zinc/37/74/07/1077377407.db2.gz YHLSSTSMJYCVGM-UHFFFAOYSA-N 1 0 409.534 2.723 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000789165684 1077440671 /nfs/dbraw/zinc/44/06/71/1077440671.db2.gz ACXSCCNKCDTFJS-IFMALSPDSA-N 1 0 423.561 2.585 20 30 HFEDRO C#Cc1cccc(NC(=O)CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000792042671 1077690645 /nfs/dbraw/zinc/69/06/45/1077690645.db2.gz UJVJILYCSUCXLE-UHFFFAOYSA-N 1 0 422.451 2.711 20 30 HFEDRO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000746835264 1077706740 /nfs/dbraw/zinc/70/67/40/1077706740.db2.gz WMFFBZAQQKNWGW-KRWDZBQOSA-N 1 0 402.539 2.951 20 30 HFEDRO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000789731792 1077742558 /nfs/dbraw/zinc/74/25/58/1077742558.db2.gz KYKDLHMBDCLHHG-OAQYLSRUSA-N 1 0 405.506 2.538 20 30 HFEDRO C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000789794759 1077801159 /nfs/dbraw/zinc/80/11/59/1077801159.db2.gz KTWKGZJIYGRKDA-IBGZPJMESA-N 1 0 421.545 2.735 20 30 HFEDRO C#CCOc1ccc(NC(=O)C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000792398050 1077833918 /nfs/dbraw/zinc/83/39/18/1077833918.db2.gz KIHFJNGZFGYMSL-UHFFFAOYSA-N 1 0 423.435 2.559 20 30 HFEDRO CCc1nnc(C2CC[NH+](Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)CC2)[nH]1 ZINC000792397546 1077834182 /nfs/dbraw/zinc/83/41/82/1077834182.db2.gz LZVFZDHZAUGTJZ-MRXNPFEDSA-N 1 0 401.474 2.784 20 30 HFEDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ncc3c(c2C#N)N(Cc2ccccc2)CC3)O1 ZINC001170276568 1077920357 /nfs/dbraw/zinc/92/03/57/1077920357.db2.gz DNLVWDLVNMIILI-TXTKFYIRSA-N 1 0 407.518 2.653 20 30 HFEDRO C=CC(=NCOC)NC(=[NH2+])NCCCCCC(=O)Oc1ccc(C(=O)OCC)cc1 ZINC001170269046 1077923178 /nfs/dbraw/zinc/92/31/78/1077923178.db2.gz JOSVRCQJZMLMOW-UHFFFAOYSA-N 1 0 418.494 2.631 20 30 HFEDRO N#CC1(c2ccccc2)CCC(NS(=O)(=O)c2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001170378470 1077963146 /nfs/dbraw/zinc/96/31/46/1077963146.db2.gz CMVBNHUDCDRYHP-UHFFFAOYSA-N 1 0 424.570 2.779 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccc(C)cc1 ZINC000792748518 1077983878 /nfs/dbraw/zinc/98/38/78/1077983878.db2.gz NTMBGZWERJELDP-MOPGFXCFSA-N 1 0 414.575 2.796 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccc(C)cc1 ZINC000792748528 1077983915 /nfs/dbraw/zinc/98/39/15/1077983915.db2.gz NTMBGZWERJELDP-RTBURBONSA-N 1 0 414.575 2.796 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(C)c(C)c1 ZINC000792751725 1077985641 /nfs/dbraw/zinc/98/56/41/1077985641.db2.gz RFMHHTBQHHUMCD-OALUTQOASA-N 1 0 414.575 2.715 20 30 HFEDRO C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000792752656 1077986139 /nfs/dbraw/zinc/98/61/39/1077986139.db2.gz JXFNFLDGLAGKRP-JKSUJKDBSA-N 1 0 406.577 2.549 20 30 HFEDRO CC(=O)N[C@@H](CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cccs1 ZINC001130563282 1079516820 /nfs/dbraw/zinc/51/68/20/1079516820.db2.gz MDZPDVLGGBJUQH-FQEVSTJZSA-N 1 0 410.543 2.968 20 30 HFEDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000806329002 1079601276 /nfs/dbraw/zinc/60/12/76/1079601276.db2.gz NDDKROUPTXHNTQ-SFHVURJKSA-N 1 0 410.543 2.894 20 30 HFEDRO C#Cc1cncc(C(=O)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c1 ZINC000806925508 1080093672 /nfs/dbraw/zinc/09/36/72/1080093672.db2.gz OIYDYBKDOIOIMU-UHFFFAOYSA-N 1 0 402.420 2.764 20 30 HFEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807249985 1080407353 /nfs/dbraw/zinc/40/73/53/1080407353.db2.gz NPBKLWKAGKYZFR-BEFAXECRSA-N 1 0 410.543 2.702 20 30 HFEDRO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C[N@@H+]1C1CC1 ZINC000807249938 1080407398 /nfs/dbraw/zinc/40/73/98/1080407398.db2.gz MKDBMSGAOVWQCM-PBHICJAKSA-N 1 0 408.527 2.644 20 30 HFEDRO C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000807543735 1080760281 /nfs/dbraw/zinc/76/02/81/1080760281.db2.gz KZTVZXSGQQCFNM-APWZRJJASA-N 1 0 409.461 2.555 20 30 HFEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCN4CC[NH2+]C[C@@H]4C3)cnc2Cl)cc1 ZINC001164400255 718844403 /nfs/dbraw/zinc/84/44/03/718844403.db2.gz UMQMKJBXKMLRNB-QGZVFWFLSA-N 1 0 403.864 2.912 20 30 HFEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nnc(Cl)cc1C#N)CC2 ZINC001164712146 720106550 /nfs/dbraw/zinc/10/65/50/720106550.db2.gz VZEMYESWHWNDPH-GOSISDBHSA-N 1 0 412.925 2.904 20 30 HFEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc3ccc(C#N)cc31)CCC2 ZINC001164812883 720218992 /nfs/dbraw/zinc/21/89/92/720218992.db2.gz KAHFKVZLAWKSBV-UHFFFAOYSA-N 1 0 402.502 2.914 20 30 HFEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746351 720624134 /nfs/dbraw/zinc/62/41/34/720624134.db2.gz XYCVIVZTELVWSN-WOJBJXKFSA-N 1 0 416.460 2.891 20 30 HFEDRO Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)cc1C#N ZINC001164750409 720859047 /nfs/dbraw/zinc/85/90/47/720859047.db2.gz PSQBMKWTRSSQSX-QWFCFKBJSA-N 1 0 411.941 2.886 20 30 HFEDRO Cc1nc(C#N)cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753337 720903736 /nfs/dbraw/zinc/90/37/36/720903736.db2.gz GNCBMHDGMGUZOT-ZJSXRUAMSA-N 1 0 418.545 2.807 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc(C#N)cc(Cl)n4)C[C@H]3C2)cn1 ZINC001164769942 721141227 /nfs/dbraw/zinc/14/12/27/721141227.db2.gz QLWJJEBBOZBFID-HZPDHXFCSA-N 1 0 406.868 2.843 20 30 HFEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(C#N)ccc4NC(=O)C(C)(C)C)C[C@H]3C2)cn1 ZINC001164773349 721173487 /nfs/dbraw/zinc/17/34/87/721173487.db2.gz WMOQAHAFDYKDNW-ZWKOTPCHSA-N 1 0 421.549 2.630 20 30 HFEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cnc1C#N)CC2 ZINC001164787791 721454045 /nfs/dbraw/zinc/45/40/45/721454045.db2.gz QPPJAAAELPPFAB-KRWDZBQOSA-N 1 0 419.957 2.736 20 30 HFEDRO CCc1nc(C#N)c(C#N)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165022300 721829764 /nfs/dbraw/zinc/82/97/64/721829764.db2.gz GVIJSUSBWIDJMK-CECAUBDESA-N 1 0 401.518 2.914 20 30 HFEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc3c(C#N)c[nH]c3n2)CC1 ZINC001165022043 721842682 /nfs/dbraw/zinc/84/26/82/721842682.db2.gz NUOHCKQUSJMHSD-UHFFFAOYSA-N 1 0 406.490 2.948 20 30 HFEDRO N#Cc1cnc2cc[nH]c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c1-2 ZINC001164960673 722058680 /nfs/dbraw/zinc/05/86/80/722058680.db2.gz GUMFIRBONPRKEG-UHFFFAOYSA-N 1 0 402.502 2.949 20 30 HFEDRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cc(Cl)nc(C#N)c1)CCC2 ZINC001164999568 722253295 /nfs/dbraw/zinc/25/32/95/722253295.db2.gz CETQGHORDBAICE-UHFFFAOYSA-N 1 0 424.883 2.837 20 30 HFEDRO C[NH+]1CCN(c2ncccc2CNC(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000790519668 1078049769 /nfs/dbraw/zinc/04/97/69/1078049769.db2.gz MSGCBEPKPJSQNR-UHFFFAOYSA-N 1 0 402.420 2.520 20 30 HFEDRO C=CC[C@@]1(C(=O)N2CC[NH+](CC3CCOCC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790657281 1078094860 /nfs/dbraw/zinc/09/48/60/1078094860.db2.gz GDODEDJXBGBEAB-QHCPKHFHSA-N 1 0 421.582 2.903 20 30 HFEDRO C#CCC[NH+]1CCC(NC(=O)c2nc(Br)ccc2Br)CC1 ZINC000790661243 1078095814 /nfs/dbraw/zinc/09/58/14/1078095814.db2.gz XZIRUZIAOXCZBF-UHFFFAOYSA-N 1 0 415.129 2.824 20 30 HFEDRO CC(N=Nc1ccccc1S(=O)(=O)N(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000793196764 1078098460 /nfs/dbraw/zinc/09/84/60/1078098460.db2.gz LKAZOJSROHHTHS-UHFFFAOYSA-N 1 0 404.536 2.713 20 30 HFEDRO C#C[C@@H](CCC)N1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1F ZINC000790696425 1078098739 /nfs/dbraw/zinc/09/87/39/1078098739.db2.gz FTZMGHXMCARFIQ-MAUKXSAKSA-N 1 0 418.538 2.627 20 30 HFEDRO C=CC[C@]1(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790770650 1078129205 /nfs/dbraw/zinc/12/92/05/1078129205.db2.gz HFTBSLDMPKJALO-JOCHJYFZSA-N 1 0 409.571 2.684 20 30 HFEDRO C=CCOC(=O)N1CCC(OC(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)CC1 ZINC000790857119 1078152738 /nfs/dbraw/zinc/15/27/38/1078152738.db2.gz OSDYCBJOQRUFFW-UHFFFAOYSA-N 1 0 401.507 2.772 20 30 HFEDRO CCCCCCC[C@H](C)CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000793793743 1078299738 /nfs/dbraw/zinc/29/97/38/1078299738.db2.gz WQNARRRHRMDOGA-PWRODBHTSA-N 1 0 408.631 2.584 20 30 HFEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C ZINC000747230381 1078947647 /nfs/dbraw/zinc/94/76/47/1078947647.db2.gz RFANTDPGSQBCQI-PMACEKPBSA-N 1 0 407.518 2.674 20 30 HFEDRO C=CC[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccncc1 ZINC000805810138 1079285221 /nfs/dbraw/zinc/28/52/21/1079285221.db2.gz AGNAYPGMYFYDJV-UTKZUKDTSA-N 1 0 407.518 2.552 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccncc1 ZINC000805808265 1079283750 /nfs/dbraw/zinc/28/37/50/1079283750.db2.gz DIMHCORPOZCZDB-MOPGFXCFSA-N 1 0 400.910 2.888 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1ccncc1 ZINC000805812050 1079287007 /nfs/dbraw/zinc/28/70/07/1079287007.db2.gz YJWQGBBVYOHAFH-JOCHJYFZSA-N 1 0 406.530 2.938 20 30 HFEDRO C=CC[C@@H](NC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805814754 1079287774 /nfs/dbraw/zinc/28/77/74/1079287774.db2.gz GLZQGEFRTSUUTJ-RBBKRZOGSA-N 1 0 406.530 2.796 20 30 HFEDRO N#CCOc1cccc(CC(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001130528515 1079465080 /nfs/dbraw/zinc/46/50/80/1079465080.db2.gz NQTBZKGNSFLKNH-PKTZIBPZSA-N 1 0 405.498 2.633 20 30 HFEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000787751533 1076926307 /nfs/dbraw/zinc/92/63/07/1076926307.db2.gz MOZFCMKUBYIVEC-INIZCTEOSA-N 1 0 410.543 2.894 20 30 HFEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CCCc2nc(C)sc21)C(C)C ZINC000788444378 1077162014 /nfs/dbraw/zinc/16/20/14/1077162014.db2.gz QEPMGFXIGDODHR-ZWKOTPCHSA-N 1 0 404.580 2.760 20 30 HFEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)C1CC1 ZINC000788640682 1077243837 /nfs/dbraw/zinc/24/38/37/1077243837.db2.gz BSNSHMZSMIKLPF-NNGLLJABSA-N 1 0 418.538 2.671 20 30 HFEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)C1CC1 ZINC000788640677 1077243896 /nfs/dbraw/zinc/24/38/96/1077243896.db2.gz BSNSHMZSMIKLPF-GPASRXLFSA-N 1 0 418.538 2.671 20 30 HFEDRO COC(=O)CC[NH+]1CCC(=NNC(=S)Nc2cccc(Br)c2)CC1 ZINC000788709622 1077267426 /nfs/dbraw/zinc/26/74/26/1077267426.db2.gz OGFQHGCXVRFYJG-UHFFFAOYSA-N 1 0 413.341 2.750 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000788858058 1077335780 /nfs/dbraw/zinc/33/57/80/1077335780.db2.gz BBUFITXISRYJKO-UHFFFAOYSA-N 1 0 423.561 2.647 20 30 HFEDRO C#CCn1ccc(CN(CC)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)n1 ZINC000788999464 1077377344 /nfs/dbraw/zinc/37/73/44/1077377344.db2.gz WEOPMJIITDLALN-UHFFFAOYSA-N 1 0 403.596 2.800 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000789062715 1077395005 /nfs/dbraw/zinc/39/50/05/1077395005.db2.gz PSNXWPFPWYNXCQ-RBBKRZOGSA-N 1 0 423.561 2.727 20 30 HFEDRO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000789165687 1077440698 /nfs/dbraw/zinc/44/06/98/1077440698.db2.gz ACXSCCNKCDTFJS-UNMCSNQZSA-N 1 0 423.561 2.585 20 30 HFEDRO C#CC[NH+]1CCC(C(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)CC1 ZINC000747022975 1077490802 /nfs/dbraw/zinc/49/08/02/1077490802.db2.gz WYNRIBJNJKIAAJ-GOSISDBHSA-N 1 0 400.523 2.932 20 30 HFEDRO C#CCNC(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000789277982 1077493336 /nfs/dbraw/zinc/49/33/36/1077493336.db2.gz LXHBVBJONGQDAQ-LEWJYISDSA-N 1 0 410.901 2.848 20 30 HFEDRO C[C@H]1CC[C@H]([N@H+](CC(=O)N2C[C@@H](F)C[C@H]2C#N)C(C)(C)CC(=O)N2CCCC2)C1 ZINC001170159226 1077537099 /nfs/dbraw/zinc/53/70/99/1077537099.db2.gz RRHVUQPJZVPFAV-VJANTYMQSA-N 1 0 406.546 2.731 20 30 HFEDRO C[C@H](/N=C1\SC(CC(=O)NCCC[NH+](C)C)C(=O)N1[C@@H]1C[C@H]1C)c1cccs1 ZINC000790021219 1077916601 /nfs/dbraw/zinc/91/66/01/1077916601.db2.gz KINGWRFVXGUHQK-MVTADJLNSA-N 1 0 422.620 2.976 20 30 HFEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccnc(N3CCS(=O)(=O)CC3)c2)CC1 ZINC001170374103 1077961708 /nfs/dbraw/zinc/96/17/08/1077961708.db2.gz SLOLBKCUHPGZMQ-UHFFFAOYSA-N 1 0 424.570 2.810 20 30 HFEDRO CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H]([NH2+]C#C[Si](C)(C)C)C1 ZINC001170377455 1077962907 /nfs/dbraw/zinc/96/29/07/1077962907.db2.gz ZDNLIUFTEZASOV-XUVXKRRUSA-N 1 0 408.615 2.755 20 30 HFEDRO CNC(=O)CN1CCOC[C@@]2(CCC[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C2)C1 ZINC001170383428 1077964363 /nfs/dbraw/zinc/96/43/63/1077964363.db2.gz LOVFKXFKBDVCDD-JYNIAERNSA-N 1 0 424.589 2.551 20 30 HFEDRO C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1Cl ZINC000792745068 1077982753 /nfs/dbraw/zinc/98/27/53/1077982753.db2.gz BRAVVSMOMXDIDF-PBHICJAKSA-N 1 0 420.966 2.751 20 30 HFEDRO C=CCCCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1C ZINC000790273734 1077993094 /nfs/dbraw/zinc/99/30/94/1077993094.db2.gz BVDJCYWLKVHUQK-SFHVURJKSA-N 1 0 402.564 2.961 20 30 HFEDRO N#Cc1ccc(CN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC(F)(F)F)cc1 ZINC000790372656 1078017152 /nfs/dbraw/zinc/01/71/52/1078017152.db2.gz ZXJNPNUVXJVPCP-IBGZPJMESA-N 1 0 408.424 2.797 20 30 HFEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(OCC(F)F)ccn3)CC2)c1 ZINC001130562869 1079515895 /nfs/dbraw/zinc/51/58/95/1079515895.db2.gz CCFRMYGAUSPNKW-UHFFFAOYSA-N 1 0 400.429 2.992 20 30 HFEDRO Cn1cc(-c2nc(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)cs2)cn1 ZINC001130563263 1079516758 /nfs/dbraw/zinc/51/67/58/1079516758.db2.gz LKUIRSRJFBZHAF-UHFFFAOYSA-N 1 0 406.515 2.810 20 30 HFEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CC(c4cccc(F)c4)=NO3)CC2)c1 ZINC001130563449 1079517315 /nfs/dbraw/zinc/51/73/15/1079517315.db2.gz OINWFRQNIFMSJT-QFIPXVFZSA-N 1 0 406.461 2.971 20 30 HFEDRO N#Cc1cccnc1NCCNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000806535514 1079807117 /nfs/dbraw/zinc/80/71/17/1079807117.db2.gz UVYMMJGCSTXYGR-HSZRJFAPSA-N 1 0 404.518 2.673 20 30 HFEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000807110003 1080287053 /nfs/dbraw/zinc/28/70/53/1080287053.db2.gz OXFGUTJPRHVLOC-SJLPKXTDSA-N 1 0 419.526 2.502 20 30 HFEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807250031 1080406719 /nfs/dbraw/zinc/40/67/19/1080406719.db2.gz PDWPJUFNWLFPQM-IFXJQAMLSA-N 1 0 408.527 2.502 20 30 HFEDRO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)c2)s1 ZINC000807249758 1080408102 /nfs/dbraw/zinc/40/81/02/1080408102.db2.gz GLJBJFMYKPFXGF-LJQANCHMSA-N 1 0 422.554 2.990 20 30 HFEDRO CCOC(=O)C1=C(Nc2cc3ncnc-3c(C#N)[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC001170521781 1080513646 /nfs/dbraw/zinc/51/36/46/1080513646.db2.gz OZQHUACAFOFEAL-UHFFFAOYSA-N 1 0 402.458 2.965 20 30 HFEDRO CCOC(=O)C1=C(Nc2cnc(C#N)c([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC001170522885 1080560148 /nfs/dbraw/zinc/56/01/48/1080560148.db2.gz TWPCHUFSNZHWFJ-UHFFFAOYSA-N 1 0 407.430 2.996 20 30 HFEDRO C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000807405997 1080600707 /nfs/dbraw/zinc/60/07/07/1080600707.db2.gz DBCPFKIFSQMZAE-UHFFFAOYSA-N 1 0 420.513 2.567 20 30 HFEDRO