smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@@H]2C1 ZINC001022723432 782629353 /nfs/dbraw/zinc/62/93/53/782629353.db2.gz UMCVORCNQLQYBL-GRDNDAEWSA-N 1 1 371.441 1.103 20 30 FDEDMO N#Cc1cc(C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c[nH]1 ZINC000285546556 769010097 /nfs/dbraw/zinc/01/00/97/769010097.db2.gz GEQLNHKCQIYFKP-HXUWFJFHSA-N 1 1 363.465 1.919 20 30 FDEDMO CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001211490199 769245007 /nfs/dbraw/zinc/24/50/07/769245007.db2.gz WYIMLVKPZRMEIH-ZTFGCOKTSA-N 1 1 356.470 1.642 20 30 FDEDMO CO[C@H]1C[C@@H](C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)[N@H+](C)C1 ZINC000329054686 782751941 /nfs/dbraw/zinc/75/19/41/782751941.db2.gz SFFINKXRUVCVAL-ROUUACIJSA-N 1 1 360.458 1.662 20 30 FDEDMO CO[C@H]1C[C@@H](C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)[N@@H+](C)C1 ZINC000329054686 782751951 /nfs/dbraw/zinc/75/19/51/782751951.db2.gz SFFINKXRUVCVAL-ROUUACIJSA-N 1 1 360.458 1.662 20 30 FDEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000969304370 769799238 /nfs/dbraw/zinc/79/92/38/769799238.db2.gz YKXDAYNUSZLNQL-XDCWJTEKSA-N 1 1 363.502 1.510 20 30 FDEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000969304370 769799249 /nfs/dbraw/zinc/79/92/49/769799249.db2.gz YKXDAYNUSZLNQL-XDCWJTEKSA-N 1 1 363.502 1.510 20 30 FDEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cncn4)c3)[C@H]2C1 ZINC001083188046 769979846 /nfs/dbraw/zinc/97/98/46/769979846.db2.gz AVNFSKGOOYAYAL-ZWKOTPCHSA-N 1 1 353.426 1.369 20 30 FDEDMO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(Cc2ccc(C#N)cc2F)C1 ZINC000969705326 770693362 /nfs/dbraw/zinc/69/33/62/770693362.db2.gz WKRZMUZJLMCJJG-HBUWYVDXSA-N 1 1 358.461 1.974 20 30 FDEDMO COC(=O)COc1ccc(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000274886038 770950164 /nfs/dbraw/zinc/95/01/64/770950164.db2.gz OTRXZPQRWNBYIX-IBGZPJMESA-N 1 1 359.426 1.479 20 30 FDEDMO COC(=O)COc1ccc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000274886038 770950169 /nfs/dbraw/zinc/95/01/69/770950169.db2.gz OTRXZPQRWNBYIX-IBGZPJMESA-N 1 1 359.426 1.479 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000970009111 771188474 /nfs/dbraw/zinc/18/84/74/771188474.db2.gz PODIHNFQXBGLLT-AVEIZBFRSA-N 1 1 361.486 1.121 20 30 FDEDMO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000275148724 771366800 /nfs/dbraw/zinc/36/68/00/771366800.db2.gz OUTJQBIGKLBCMM-RCDCFZSISA-N 1 1 368.437 1.995 20 30 FDEDMO C[C@@H]1CC[C@](CO)([N@@H+](C)CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000275148724 771366812 /nfs/dbraw/zinc/36/68/12/771366812.db2.gz OUTJQBIGKLBCMM-RCDCFZSISA-N 1 1 368.437 1.995 20 30 FDEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277637518 782933118 /nfs/dbraw/zinc/93/31/18/782933118.db2.gz BWBRRCPWYNIUEP-COXVUDFISA-N 1 1 353.426 1.327 20 30 FDEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277637518 782933120 /nfs/dbraw/zinc/93/31/20/782933120.db2.gz BWBRRCPWYNIUEP-COXVUDFISA-N 1 1 353.426 1.327 20 30 FDEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000297630340 771767638 /nfs/dbraw/zinc/76/76/38/771767638.db2.gz YFVCUQVUJRNXPE-NRFANRHFSA-N 1 1 357.498 1.968 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C)nc3C)C[C@@H]21 ZINC001083198737 771825064 /nfs/dbraw/zinc/82/50/64/771825064.db2.gz OACICKFBVDXKHS-FUMNGEBKSA-N 1 1 371.481 1.701 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C)nc3C)C[C@@H]21 ZINC001083198737 771825072 /nfs/dbraw/zinc/82/50/72/771825072.db2.gz OACICKFBVDXKHS-FUMNGEBKSA-N 1 1 371.481 1.701 20 30 FDEDMO C#Cc1cccc(NC(=O)NC(=O)C[NH+]2CCC(C3OCCO3)CC2)c1 ZINC001167276475 771854532 /nfs/dbraw/zinc/85/45/32/771854532.db2.gz NJUHDLQGUKXZHM-UHFFFAOYSA-N 1 1 357.410 1.401 20 30 FDEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000784962659 771886045 /nfs/dbraw/zinc/88/60/45/771886045.db2.gz ABGFZIWBDQZRLQ-UONOGXRCSA-N 1 1 361.417 1.717 20 30 FDEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000784962659 771886051 /nfs/dbraw/zinc/88/60/51/771886051.db2.gz ABGFZIWBDQZRLQ-UONOGXRCSA-N 1 1 361.417 1.717 20 30 FDEDMO C#Cc1ccccc1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000972241815 783005635 /nfs/dbraw/zinc/00/56/35/783005635.db2.gz AYPRFGFGEXNKND-VAMGGRTRSA-N 1 1 365.477 1.221 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnnn1C ZINC001021260287 772681885 /nfs/dbraw/zinc/68/18/85/772681885.db2.gz IPGHZPYTPJIUNC-GPFKCLTHSA-N 1 1 359.474 1.408 20 30 FDEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001021405234 773218280 /nfs/dbraw/zinc/21/82/80/773218280.db2.gz RVEBSELQCWTUNA-IAOVAPTHSA-N 1 1 355.442 1.044 20 30 FDEDMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N[C@H]3CCCNC3=O)cc2)CC1 ZINC000328682502 773263671 /nfs/dbraw/zinc/26/36/71/773263671.db2.gz OTOLVSNZUGYING-INIZCTEOSA-N 1 1 373.457 1.197 20 30 FDEDMO C#CCC[NH+]1CCN(C(=O)C[C@H](c2ccccc2)N2CCOC2=O)CC1 ZINC000728274420 773292532 /nfs/dbraw/zinc/29/25/32/773292532.db2.gz UWZLTOGZOZCXKX-GOSISDBHSA-N 1 1 355.438 1.738 20 30 FDEDMO C#Cc1cccc(NC(=O)NC(=O)C[N@H+](CC(C)(C)O)C2CCOCC2)c1 ZINC001167589373 783138282 /nfs/dbraw/zinc/13/82/82/783138282.db2.gz DJJQIEURBURSEX-UHFFFAOYSA-N 1 1 373.453 1.568 20 30 FDEDMO C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc(C#N)c[nH]1)c1nnnn1C ZINC001087143721 775205218 /nfs/dbraw/zinc/20/52/18/775205218.db2.gz LIACRMDYSDLFRG-DYEKYZERSA-N 1 1 356.434 1.001 20 30 FDEDMO Cc1nnc([C@@H](C)[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2c[nH]c(C#N)c2)[nH]1 ZINC001087152177 776086513 /nfs/dbraw/zinc/08/65/13/776086513.db2.gz IJEMUWUEMUGBAI-HSMVNMDESA-N 1 1 355.446 1.904 20 30 FDEDMO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C2=COCCO2)C1 ZINC001075418939 776483012 /nfs/dbraw/zinc/48/30/12/776483012.db2.gz JECXUIISGCDRDC-SJLPKXTDSA-N 1 1 358.413 1.869 20 30 FDEDMO C#CC[N@@H+](CC(=O)N1CCN(C(C)=O)CC1)[C@H]1CCCc2ccccc21 ZINC000933422259 778087329 /nfs/dbraw/zinc/08/73/29/778087329.db2.gz WWWZTEXADMEZCY-FQEVSTJZSA-N 1 1 353.466 1.690 20 30 FDEDMO C#CC[N@H+](CC(=O)N1CCN(C(C)=O)CC1)[C@H]1CCCc2ccccc21 ZINC000933422259 778087330 /nfs/dbraw/zinc/08/73/30/778087330.db2.gz WWWZTEXADMEZCY-FQEVSTJZSA-N 1 1 353.466 1.690 20 30 FDEDMO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC000933471771 778224697 /nfs/dbraw/zinc/22/46/97/778224697.db2.gz PCICLYLSVCYJMR-KDOFPFPSSA-N 1 1 350.463 1.736 20 30 FDEDMO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC000933471771 778224703 /nfs/dbraw/zinc/22/47/03/778224703.db2.gz PCICLYLSVCYJMR-KDOFPFPSSA-N 1 1 350.463 1.736 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001022174583 778482499 /nfs/dbraw/zinc/48/24/99/778482499.db2.gz HEGRVJCAPHAYNR-MLHJIOFPSA-N 1 1 372.469 1.232 20 30 FDEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)NCC#CCO)[C@H]1c1ccc(F)c(F)c1 ZINC000923773047 778927601 /nfs/dbraw/zinc/92/76/01/778927601.db2.gz HMOOVADJXDMRNH-IAGOWNOFSA-N 1 1 351.397 1.784 20 30 FDEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)NCC#CCO)[C@H]1c1ccc(F)c(F)c1 ZINC000923773047 778927604 /nfs/dbraw/zinc/92/76/04/778927604.db2.gz HMOOVADJXDMRNH-IAGOWNOFSA-N 1 1 351.397 1.784 20 30 FDEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@](O)(C2(C(=O)OC)CCC2)C1 ZINC000933839870 779852447 /nfs/dbraw/zinc/85/24/47/779852447.db2.gz DRWPZZYWYCAKET-OXQOHEQNSA-N 1 1 366.502 1.970 20 30 FDEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000376810505 790747109 /nfs/dbraw/zinc/74/71/09/790747109.db2.gz CASJLGRYWVWUOU-IBGZPJMESA-N 1 1 356.470 1.312 20 30 FDEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000376810505 790747120 /nfs/dbraw/zinc/74/71/20/790747120.db2.gz CASJLGRYWVWUOU-IBGZPJMESA-N 1 1 356.470 1.312 20 30 FDEDMO CC(C)[C@@H](C(=O)NCCC(=O)N1CCN(C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000329006022 780344613 /nfs/dbraw/zinc/34/46/13/780344613.db2.gz MVRFQWTXLUSXJA-NUJGCVRESA-N 1 1 368.522 1.241 20 30 FDEDMO CO[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)N(C)C1 ZINC000329008343 780386361 /nfs/dbraw/zinc/38/63/61/780386361.db2.gz ZPBVOPGVNDJWKN-OKYOBFRVSA-N 1 1 361.486 1.545 20 30 FDEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510968682 780446123 /nfs/dbraw/zinc/44/61/23/780446123.db2.gz NPXGUGCPERBZQM-STQMWFEESA-N 1 1 374.407 1.718 20 30 FDEDMO C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)CC[N@H+]1C ZINC001022471388 780483775 /nfs/dbraw/zinc/48/37/75/780483775.db2.gz XPHNYPOAPOLIBD-YRBFXIGRSA-N 1 1 369.469 1.290 20 30 FDEDMO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000101690186 780850971 /nfs/dbraw/zinc/85/09/71/780850971.db2.gz SOWXUAYLPQORJG-OAHLLOKOSA-N 1 1 369.469 1.864 20 30 FDEDMO C#CCCCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnn(C)n2)C1 ZINC001112508963 781038539 /nfs/dbraw/zinc/03/85/39/781038539.db2.gz DLTBYJJORYRYGC-LPHOPBHVSA-N 1 1 358.490 1.512 20 30 FDEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCCCCNC(=O)CC1 ZINC000934153682 781314832 /nfs/dbraw/zinc/31/48/32/781314832.db2.gz KTXDFPIIFAXTEE-UHFFFAOYSA-N 1 1 353.422 1.278 20 30 FDEDMO C[C@]1(C#N)CN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CCO1 ZINC000892125696 781650986 /nfs/dbraw/zinc/65/09/86/781650986.db2.gz ILVORVGSYKFOQE-IBGZPJMESA-N 1 1 358.442 1.343 20 30 FDEDMO C#Cc1cncc(C(=O)N2CC[C@H]3CN(C(=O)C[N@@H+]4CCC[C@@H]4C)C[C@H]32)c1 ZINC001022634722 781690792 /nfs/dbraw/zinc/69/07/92/781690792.db2.gz DKIKMMMINUBRIG-VDZJLULYSA-N 1 1 366.465 1.220 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3c[nH]cc3C)C[C@H]21 ZINC000972835007 783902556 /nfs/dbraw/zinc/90/25/56/783902556.db2.gz KWVDROCQYROEOB-BPQIPLTHSA-N 1 1 354.454 1.094 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3c[nH]cc3C)C[C@H]21 ZINC000972835007 783902561 /nfs/dbraw/zinc/90/25/61/783902561.db2.gz KWVDROCQYROEOB-BPQIPLTHSA-N 1 1 354.454 1.094 20 30 FDEDMO C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC000972846266 783931152 /nfs/dbraw/zinc/93/11/52/783931152.db2.gz KRLCIAZQWFBRMY-UWWQBHOKSA-N 1 1 369.469 1.434 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnsn2)C1 ZINC001024196382 784307455 /nfs/dbraw/zinc/30/74/55/784307455.db2.gz SEUGDDORQRATJT-KBMXLJTQSA-N 1 1 350.488 1.848 20 30 FDEDMO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1CC ZINC001024486676 784875216 /nfs/dbraw/zinc/87/52/16/784875216.db2.gz FMRKAILLKWUZEZ-ZHALLVOQSA-N 1 1 358.486 1.975 20 30 FDEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1 ZINC000364438651 785052494 /nfs/dbraw/zinc/05/24/94/785052494.db2.gz FBDMXQQLJXDOAI-IERDGZPVSA-N 1 1 363.417 1.894 20 30 FDEDMO 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C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCCC(C)=O)n[nH]1 ZINC001130182762 938741772 /nfs/dbraw/zinc/74/17/72/938741772.db2.gz AJYSXGSFQHIADF-GJZGRUSLSA-N 1 1 363.462 1.218 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccoc2C)n1 ZINC001130182831 938741970 /nfs/dbraw/zinc/74/19/70/938741970.db2.gz DOGYBWJTPHCHEP-GJZGRUSLSA-N 1 1 359.430 1.674 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccoc2C)n[nH]1 ZINC001130182831 938741971 /nfs/dbraw/zinc/74/19/71/938741971.db2.gz DOGYBWJTPHCHEP-GJZGRUSLSA-N 1 1 359.430 1.674 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[C@H](C)OC)n1 ZINC001130204637 938745461 /nfs/dbraw/zinc/74/54/61/938745461.db2.gz AMKPQJXLSJFNEA-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[C@H](C)OC)n[nH]1 ZINC001130204637 938745462 /nfs/dbraw/zinc/74/54/62/938745462.db2.gz AMKPQJXLSJFNEA-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C#CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CCC2)n[nH]1 ZINC001130210078 938747988 /nfs/dbraw/zinc/74/79/88/938747988.db2.gz VNIDNSLEQUWZMQ-HOTGVXAUSA-N 1 1 359.474 1.487 20 30 FDEDMO C#CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CCC2)n1 ZINC001130210078 938747989 /nfs/dbraw/zinc/74/79/89/938747989.db2.gz VNIDNSLEQUWZMQ-HOTGVXAUSA-N 1 1 359.474 1.487 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccncc2C)n1 ZINC001130212893 938749946 /nfs/dbraw/zinc/74/99/46/938749946.db2.gz JNXGLZCPYQHTMC-HOTGVXAUSA-N 1 1 370.457 1.476 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccncc2C)n[nH]1 ZINC001130212893 938749947 /nfs/dbraw/zinc/74/99/47/938749947.db2.gz JNXGLZCPYQHTMC-HOTGVXAUSA-N 1 1 370.457 1.476 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(C)c2F)[nH]1 ZINC001130213077 938749960 /nfs/dbraw/zinc/74/99/60/938749960.db2.gz SLXYEJHLRZJXQN-ZFWWWQNUSA-N 1 1 371.416 1.278 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccc(C)c2F)n[nH]1 ZINC001130213077 938749962 /nfs/dbraw/zinc/74/99/62/938749962.db2.gz SLXYEJHLRZJXQN-ZFWWWQNUSA-N 1 1 371.416 1.278 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2=CCCC2)[nH]1 ZINC001130200501 938754140 /nfs/dbraw/zinc/75/41/40/938754140.db2.gz MEOHZSYVZUTICJ-KBPBESRZSA-N 1 1 365.865 1.746 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COCC=C)n1 ZINC001130202907 938755504 /nfs/dbraw/zinc/75/55/04/938755504.db2.gz NWKKPLKUGAYAIF-GJZGRUSLSA-N 1 1 363.462 1.052 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COCC=C)n[nH]1 ZINC001130202907 938755505 /nfs/dbraw/zinc/75/55/05/938755505.db2.gz NWKKPLKUGAYAIF-GJZGRUSLSA-N 1 1 363.462 1.052 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)n1 ZINC001130222745 938757103 /nfs/dbraw/zinc/75/71/03/938757103.db2.gz CUGZJNZIOBQUIO-JJXSEGSLSA-N 1 1 373.501 1.589 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)n[nH]1 ZINC001130222745 938757104 /nfs/dbraw/zinc/75/71/04/938757104.db2.gz CUGZJNZIOBQUIO-JJXSEGSLSA-N 1 1 373.501 1.589 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C/C=C(\C)C=C)n1 ZINC001130227484 938761014 /nfs/dbraw/zinc/76/10/14/938761014.db2.gz AIGSEGGLRQNCTK-JEYQBLLFSA-N 1 1 357.458 1.429 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C/C=C(\C)C=C)n[nH]1 ZINC001130227484 938761015 /nfs/dbraw/zinc/76/10/15/938761015.db2.gz AIGSEGGLRQNCTK-JEYQBLLFSA-N 1 1 357.458 1.429 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CCC)CCC2)[nH]1 ZINC001130227493 938761290 /nfs/dbraw/zinc/76/12/90/938761290.db2.gz AVLVHTOTZMZKPJ-GJZGRUSLSA-N 1 1 359.474 1.487 20 30 FDEDMO C=C[C@H](CC)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCOC)n[nH]1 ZINC001130232692 938764970 /nfs/dbraw/zinc/76/49/70/938764970.db2.gz NZQTWAACRFLFRV-ILXRZTDVSA-N 1 1 365.478 1.132 20 30 FDEDMO C=C[C@H](CC)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCOC)n1 ZINC001130232692 938764972 /nfs/dbraw/zinc/76/49/72/938764972.db2.gz NZQTWAACRFLFRV-ILXRZTDVSA-N 1 1 365.478 1.132 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CCC)CC2)[nH]1 ZINC001130232600 938765104 /nfs/dbraw/zinc/76/51/04/938765104.db2.gz KNEZHYABZGIVAZ-GJZGRUSLSA-N 1 1 359.474 1.487 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CCC(F)CC2)[nH]1 ZINC001130235040 938766230 /nfs/dbraw/zinc/76/62/30/938766230.db2.gz RZYFEMOLCBOTGQ-WUCCLRPBSA-N 1 1 363.437 1.045 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)C2CC2)[nH]1 ZINC001130235233 938766523 /nfs/dbraw/zinc/76/65/23/938766523.db2.gz ZXVWXOCVNHUSLA-GJZGRUSLSA-N 1 1 359.474 1.343 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)CCC)[nH]1 ZINC001130244140 938770230 /nfs/dbraw/zinc/77/02/30/938770230.db2.gz BOLYMSQMUNHJAF-JYJNAYRXSA-N 1 1 361.490 1.733 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2oncc2C)n1 ZINC001130245224 938770991 /nfs/dbraw/zinc/77/09/91/938770991.db2.gz WBYITHVIMFWCHV-STQMWFEESA-N 1 1 360.418 1.069 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2oncc2C)n[nH]1 ZINC001130245224 938770993 /nfs/dbraw/zinc/77/09/93/938770993.db2.gz WBYITHVIMFWCHV-STQMWFEESA-N 1 1 360.418 1.069 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(CC)cc2)[nH]1 ZINC001130249207 938773730 /nfs/dbraw/zinc/77/37/30/938773730.db2.gz PGORDMYGXUMIGK-IRXDYDNUSA-N 1 1 367.453 1.392 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(CC)cc2)n[nH]1 ZINC001130249207 938773732 /nfs/dbraw/zinc/77/37/32/938773732.db2.gz PGORDMYGXUMIGK-IRXDYDNUSA-N 1 1 367.453 1.392 20 30 FDEDMO C=C(Cl)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](F)CC)CC1 ZINC001130295631 938797940 /nfs/dbraw/zinc/79/79/40/938797940.db2.gz KXXKLRIRKPLUKG-LZWOXQAQSA-N 1 1 359.873 1.962 20 30 FDEDMO COCC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001130401820 938836663 /nfs/dbraw/zinc/83/66/63/938836663.db2.gz NVNNQZUUISIROW-XAUMDUMWSA-N 1 1 356.470 1.655 20 30 FDEDMO Cc1nc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cn(C)cn2)co1 ZINC001130583953 939884961 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/nfs/dbraw/zinc/90/80/09/939908009.db2.gz KFWHHVUZFARNSN-CMKODMSKSA-N 1 1 371.529 1.305 20 30 FDEDMO C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ncnn2CC)C1 ZINC001130602874 939914606 /nfs/dbraw/zinc/91/46/06/939914606.db2.gz RJVLPRMGZGAYGZ-DOTOQJQBSA-N 1 1 371.489 1.472 20 30 FDEDMO C=C[C@H](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001130651952 939946126 /nfs/dbraw/zinc/94/61/26/939946126.db2.gz CFSMWFCAPBDZML-UWWQBHOKSA-N 1 1 371.489 1.235 20 30 FDEDMO C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@H]1c1cn(C)cn1 ZINC001130712957 939999883 /nfs/dbraw/zinc/99/98/83/939999883.db2.gz UVWFCSUNYWNZKL-GOEBONIOSA-N 1 1 354.458 1.028 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccncc3)n[nH]2)O1 ZINC001130749445 940055969 /nfs/dbraw/zinc/05/59/69/940055969.db2.gz HQVMUSVBMZWELY-JKSUJKDBSA-N 1 1 370.457 1.906 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C=C(C)C3CC3)n[nH]2)O1 ZINC001130761782 940067153 /nfs/dbraw/zinc/06/71/53/940067153.db2.gz GJXOAQNUMXOXQU-WLDSXTBVSA-N 1 1 357.458 1.610 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCSC)n[nH]2)O1 ZINC001130758133 940083230 /nfs/dbraw/zinc/08/32/30/940083230.db2.gz SNEAQILBUBTNNO-QWHCGFSZSA-N 1 1 353.492 1.560 20 30 FDEDMO C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(C)C)n[nH]2)O1 ZINC001130760105 940087703 /nfs/dbraw/zinc/08/77/03/940087703.db2.gz YGPGYPLBLYPRME-UONOGXRCSA-N 1 1 351.451 1.089 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CO[C@@H](C)CC)n[nH]2)O1 ZINC001130775095 940091963 /nfs/dbraw/zinc/09/19/63/940091963.db2.gz LCSHRDONDSHRRD-MELADBBJSA-N 1 1 351.451 1.232 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ncccc3C)n[nH]2)O1 ZINC001130775279 940092346 /nfs/dbraw/zinc/09/23/46/940092346.db2.gz QNCIJBFQRYUEDA-LSDHHAIUSA-N 1 1 368.441 1.271 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CCCOC3)n[nH]2)O1 ZINC001130765250 940094898 /nfs/dbraw/zinc/09/48/98/940094898.db2.gz JSPXNYKWPXOCAU-QLFBSQMISA-N 1 1 363.462 1.233 20 30 FDEDMO 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ZINC001092579677 955712148 /nfs/dbraw/zinc/71/21/48/955712148.db2.gz DEBUWQCAKIOQQZ-IUODEOHRSA-N 1 1 356.405 1.324 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncc(Cl)cc2Cl)C1 ZINC001197149460 972120569 /nfs/dbraw/zinc/12/05/69/972120569.db2.gz NDIOQNANJRMMRZ-CHWSQXEVSA-N 1 1 360.241 1.366 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncc(Cl)cc2Cl)C1 ZINC001197149460 972120576 /nfs/dbraw/zinc/12/05/76/972120576.db2.gz NDIOQNANJRMMRZ-CHWSQXEVSA-N 1 1 360.241 1.366 20 30 FDEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)C3C=CC=CC=C3)[C@H](C)C2)C1=O ZINC001092647998 955786390 /nfs/dbraw/zinc/78/63/90/955786390.db2.gz BZFVDXNWGFFXCX-QRQLOZEOSA-N 1 1 355.482 1.756 20 30 FDEDMO CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CCNc2cc(C)ncc2C#N)C1 ZINC001092620052 955848529 /nfs/dbraw/zinc/84/85/29/955848529.db2.gz VQPOFRAYRQZFCU-NVXWUHKLSA-N 1 1 357.502 1.922 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC(C)(C)CC)CC1 ZINC001197195716 972138146 /nfs/dbraw/zinc/13/81/46/972138146.db2.gz IEDLQJOLHBJIQQ-ZACQAIPSSA-N 1 1 365.518 1.805 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+]([C@H](C)C(=O)NC(C)(C)CC)CC1 ZINC001197195716 972138152 /nfs/dbraw/zinc/13/81/52/972138152.db2.gz IEDLQJOLHBJIQQ-ZACQAIPSSA-N 1 1 365.518 1.805 20 30 FDEDMO Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](CNc2cncc(C#N)n2)[C@H](C)C1 ZINC001092653992 956045307 /nfs/dbraw/zinc/04/53/07/956045307.db2.gz XTHBSIYAAJJDDX-GDBMZVCRSA-N 1 1 367.457 1.840 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC001092702980 956103207 /nfs/dbraw/zinc/10/32/07/956103207.db2.gz ZWXBEHHPMFMMHX-MLGOLLRUSA-N 1 1 369.400 1.691 20 30 FDEDMO C[C@H]1CC[N@@H+](CC(=O)NC[C@]23CCC[C@H]2N(c2cnc(C#N)cn2)CC3)C1 ZINC001092715085 956162874 /nfs/dbraw/zinc/16/28/74/956162874.db2.gz OJKWZYZRGOTOCR-XAUMDUMWSA-N 1 1 368.485 1.555 20 30 FDEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3[nH]c(C)cc3C)[C@H](C)C2)C1=O ZINC001092733027 956218549 /nfs/dbraw/zinc/21/85/49/956218549.db2.gz GQLMKSHXKKPLGZ-DJIMGWMZSA-N 1 1 358.486 1.716 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)c1ccn(C)c(=O)c1 ZINC001092741946 956242158 /nfs/dbraw/zinc/24/21/58/956242158.db2.gz LNSAUTDLJFVKQM-UKRRQHHQSA-N 1 1 370.478 1.816 20 30 FDEDMO COc1ccc(C[N@@H+]2C[C@@H](CNC(=O)c3cn[nH]n3)[C@H](C)C2)cc1C#N ZINC001092759161 956294255 /nfs/dbraw/zinc/29/42/55/956294255.db2.gz NYNRNDTWFGQGPJ-IUODEOHRSA-N 1 1 354.414 1.183 20 30 FDEDMO COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3cnn[nH]3)[C@H](C)C2)cc1C#N ZINC001092759161 956294261 /nfs/dbraw/zinc/29/42/61/956294261.db2.gz NYNRNDTWFGQGPJ-IUODEOHRSA-N 1 1 354.414 1.183 20 30 FDEDMO COc1ccc(C[N@@H+]2C[C@@H](CNC(=O)c3cnn[nH]3)[C@H](C)C2)cc1C#N ZINC001092759161 956294270 /nfs/dbraw/zinc/29/42/70/956294270.db2.gz NYNRNDTWFGQGPJ-IUODEOHRSA-N 1 1 354.414 1.183 20 30 FDEDMO C[C@@H]1[C@H](C(=O)NC[C@]2(C)CN(c3ccc(C#N)cn3)CCO2)CC[N@H+]1C ZINC001092776744 956414147 /nfs/dbraw/zinc/41/41/47/956414147.db2.gz AUAXDMALNISPLE-IDHHARJASA-N 1 1 357.458 1.005 20 30 FDEDMO C[C@@H]1[C@H](C(=O)NC[C@]2(C)CN(c3ccc(C#N)nc3)CCO2)CC[N@H+]1C ZINC001092776818 956414270 /nfs/dbraw/zinc/41/42/70/956414270.db2.gz BXQDNVGCQSBYRR-LSBZLQRGSA-N 1 1 357.458 1.005 20 30 FDEDMO C=C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1)c1ccccc1 ZINC001110136577 956479614 /nfs/dbraw/zinc/47/96/14/956479614.db2.gz IFESEQJLDMKAIZ-YRXWBPOGSA-N 1 1 353.466 1.910 20 30 FDEDMO C=C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1)c1ccccc1 ZINC001110136577 956479622 /nfs/dbraw/zinc/47/96/22/956479622.db2.gz IFESEQJLDMKAIZ-YRXWBPOGSA-N 1 1 353.466 1.910 20 30 FDEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]2C)cc1 ZINC001092876327 956622952 /nfs/dbraw/zinc/62/29/52/956622952.db2.gz CDBGOOKDEQZXHX-ATZDWAIDSA-N 1 1 363.465 1.745 20 30 FDEDMO N#Cc1c(F)cccc1N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001092856917 956705765 /nfs/dbraw/zinc/70/57/65/956705765.db2.gz WGIQQCMZUUBWGF-LJHODMEESA-N 1 1 372.444 1.646 20 30 FDEDMO C=C(Br)C[N@@H+]1C[C@@H](CNC(=O)c2cnc(C)n2C)[C@H](C)C1 ZINC001092913593 956761669 /nfs/dbraw/zinc/76/16/69/956761669.db2.gz QMSHZGGKZQWMOW-ZWNOBZJWSA-N 1 1 355.280 1.935 20 30 FDEDMO C=C(Br)C[N@H+]1C[C@@H](CNC(=O)c2cnc(C)n2C)[C@H](C)C1 ZINC001092913593 956761681 /nfs/dbraw/zinc/76/16/81/956761681.db2.gz QMSHZGGKZQWMOW-ZWNOBZJWSA-N 1 1 355.280 1.935 20 30 FDEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3cc[nH]c3C3CC3)[C@H](C)C2)C1=O ZINC001092918108 956778143 /nfs/dbraw/zinc/77/81/43/956778143.db2.gz YKTWADPIIWXETF-KYJSFNMBSA-N 1 1 370.497 1.977 20 30 FDEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCCOC3)C2)cc1 ZINC001197342117 972213271 /nfs/dbraw/zinc/21/32/71/972213271.db2.gz JZLBQUKOZMLKNI-IPMKNSEASA-N 1 1 357.454 1.426 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCCOC3)C2)cc1 ZINC001197342117 972213273 /nfs/dbraw/zinc/21/32/73/972213273.db2.gz JZLBQUKOZMLKNI-IPMKNSEASA-N 1 1 357.454 1.426 20 30 FDEDMO Cc1nc[nH]c(=O)c1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001092903273 956844398 /nfs/dbraw/zinc/84/43/98/956844398.db2.gz HFYMEMRTNNNBSO-CXAGYDPISA-N 1 1 365.437 1.860 20 30 FDEDMO COc1ccc(C[N@@H+]2C[C@@H](CNC(=O)c3n[nH]cc3F)[C@H](C)C2)cc1C#N ZINC001092941082 956860378 /nfs/dbraw/zinc/86/03/78/956860378.db2.gz AYHBDPOUVIHDQH-IUODEOHRSA-N 1 1 371.416 1.927 20 30 FDEDMO COc1ccc(C[N@H+]2C[C@@H](CNC(=O)c3[nH]ncc3F)[C@H](C)C2)cc1C#N ZINC001092941082 956860390 /nfs/dbraw/zinc/86/03/90/956860390.db2.gz AYHBDPOUVIHDQH-IUODEOHRSA-N 1 1 371.416 1.927 20 30 FDEDMO COc1ccc(C[N@@H+]2C[C@@H](CNC(=O)c3[nH]ncc3F)[C@H](C)C2)cc1C#N ZINC001092941082 956860395 /nfs/dbraw/zinc/86/03/95/956860395.db2.gz AYHBDPOUVIHDQH-IUODEOHRSA-N 1 1 371.416 1.927 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](CC(=O)N(C)C(C)C)CC1 ZINC001197402373 972222720 /nfs/dbraw/zinc/22/27/20/972222720.db2.gz AHPPJFNYYXEOAD-WMZOPIPTSA-N 1 1 351.491 1.369 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](CC(=O)N(C)C(C)C)CC1 ZINC001197402373 972222723 /nfs/dbraw/zinc/22/27/23/972222723.db2.gz AHPPJFNYYXEOAD-WMZOPIPTSA-N 1 1 351.491 1.369 20 30 FDEDMO C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@H]2C)c1 ZINC001092952875 956887881 /nfs/dbraw/zinc/88/78/81/956887881.db2.gz TXPLIJYJHZEKLK-JKIFEVAISA-N 1 1 366.469 1.802 20 30 FDEDMO C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@H]2C)c1 ZINC001092952875 956887887 /nfs/dbraw/zinc/88/78/87/956887887.db2.gz TXPLIJYJHZEKLK-JKIFEVAISA-N 1 1 366.469 1.802 20 30 FDEDMO C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 ZINC001092926549 956930536 /nfs/dbraw/zinc/93/05/36/956930536.db2.gz DCOUGWHVCVTIPX-YVSFHVDLSA-N 1 1 354.458 1.449 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nnc(C)s2)C[C@H]1C ZINC001092977698 956974706 /nfs/dbraw/zinc/97/47/06/956974706.db2.gz DAFHTKDBMIMKHM-NGFQHRJXSA-N 1 1 350.488 1.622 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2nnc(C)s2)C[C@H]1C ZINC001092977698 956974711 /nfs/dbraw/zinc/97/47/11/956974711.db2.gz DAFHTKDBMIMKHM-NGFQHRJXSA-N 1 1 350.488 1.622 20 30 FDEDMO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3nnnn3CC2)[C@H](C)C1 ZINC001092983426 956991466 /nfs/dbraw/zinc/99/14/66/956991466.db2.gz OPLDUVFYUSPJNC-KWCYVHTRSA-N 1 1 352.870 1.062 20 30 FDEDMO C=C(Br)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)[C@H](C)C1 ZINC001092969811 957020304 /nfs/dbraw/zinc/02/03/04/957020304.db2.gz VLLMYXYKYWCKLA-MWLCHTKSSA-N 1 1 369.263 1.320 20 30 FDEDMO C=C(Br)C[N@H+]1C[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)[C@H](C)C1 ZINC001092969811 957020310 /nfs/dbraw/zinc/02/03/10/957020310.db2.gz VLLMYXYKYWCKLA-MWLCHTKSSA-N 1 1 369.263 1.320 20 30 FDEDMO Cc1ccc(C#N)c(N2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCOCC2)C3)n1 ZINC001092989198 957056933 /nfs/dbraw/zinc/05/69/33/957056933.db2.gz CAAAOLVNHGWUOY-KURKYZTESA-N 1 1 369.469 1.210 20 30 FDEDMO Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N ZINC001092990253 957062670 /nfs/dbraw/zinc/06/26/70/957062670.db2.gz QCHQLKHCVXQYBP-INMHGKMJSA-N 1 1 365.441 1.560 20 30 FDEDMO CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C#N)nc(CC)n1 ZINC001092996403 957088898 /nfs/dbraw/zinc/08/88/98/957088898.db2.gz XJUCHSUGEDTMPR-ZACQAIPSSA-N 1 1 370.501 1.868 20 30 FDEDMO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@H](C)C1 ZINC001093055098 957237529 /nfs/dbraw/zinc/23/75/29/957237529.db2.gz IBKCOHLCYSXQIO-ZWNOBZJWSA-N 1 1 363.849 1.381 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nonc2C)C[C@H]1C ZINC001093038895 957260801 /nfs/dbraw/zinc/26/08/01/957260801.db2.gz AHITUONWZVJORH-KBEGMRNHSA-N 1 1 362.474 1.933 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2nonc2C)C[C@H]1C ZINC001093038895 957260805 /nfs/dbraw/zinc/26/08/05/957260805.db2.gz AHITUONWZVJORH-KBEGMRNHSA-N 1 1 362.474 1.933 20 30 FDEDMO 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353.422 1.871 20 30 FDEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC[C@@H](C)C3)[C@@H]2C)c1 ZINC001088846385 864541461 /nfs/dbraw/zinc/54/14/61/864541461.db2.gz LEOVSOGODQAMNW-MDZRGWNJSA-N 1 1 368.481 1.514 20 30 FDEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC[C@@H](C)C3)[C@@H]2C)c1 ZINC001088846385 864541470 /nfs/dbraw/zinc/54/14/70/864541470.db2.gz LEOVSOGODQAMNW-MDZRGWNJSA-N 1 1 368.481 1.514 20 30 FDEDMO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@H]1OC ZINC001212185577 864627539 /nfs/dbraw/zinc/62/75/39/864627539.db2.gz YBUDDDJOMJIUOH-RCCFBDPRSA-N 1 1 363.502 1.252 20 30 FDEDMO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@H]1OC ZINC001212185577 864627543 /nfs/dbraw/zinc/62/75/43/864627543.db2.gz YBUDDDJOMJIUOH-RCCFBDPRSA-N 1 1 363.502 1.252 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCC(=O)N2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088850778 864631665 /nfs/dbraw/zinc/63/16/65/864631665.db2.gz IJFZTCDPYVIMBF-JLSDUUJJSA-N 1 1 354.454 1.696 20 30 FDEDMO 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C#CCCCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC=C)n[nH]1 ZINC001130224927 938758913 /nfs/dbraw/zinc/75/89/13/938758913.db2.gz IYLYGQCLZCOLQW-HOTGVXAUSA-N 1 1 359.474 1.653 20 30 FDEDMO C#CCCCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC=C)n1 ZINC001130224927 938758916 /nfs/dbraw/zinc/75/89/16/938758916.db2.gz IYLYGQCLZCOLQW-HOTGVXAUSA-N 1 1 359.474 1.653 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](F)C(C)C)n1 ZINC001130227789 938761801 /nfs/dbraw/zinc/76/18/01/938761801.db2.gz PCKIBBRLNXEPNG-YDHLFZDLSA-N 1 1 353.442 1.453 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](F)C(C)C)n[nH]1 ZINC001130227789 938761803 /nfs/dbraw/zinc/76/18/03/938761803.db2.gz PCKIBBRLNXEPNG-YDHLFZDLSA-N 1 1 353.442 1.453 20 30 FDEDMO C=CC(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+][C@H](C)COC)n[nH]1 ZINC001130227829 938762240 /nfs/dbraw/zinc/76/22/40/938762240.db2.gz QZNYQRROOJCIBQ-RDBSUJKOSA-N 1 1 365.478 1.130 20 30 FDEDMO C=CC(C)(C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+][C@H](C)COC)n1 ZINC001130227829 938762241 /nfs/dbraw/zinc/76/22/41/938762241.db2.gz QZNYQRROOJCIBQ-RDBSUJKOSA-N 1 1 365.478 1.130 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C)CCC2)[nH]1 ZINC001130229988 938763561 /nfs/dbraw/zinc/76/35/61/938763561.db2.gz LURNMWJLOKRRTE-STQMWFEESA-N 1 1 367.881 1.826 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)[nH]1 ZINC001130230180 938763846 /nfs/dbraw/zinc/76/38/46/938763846.db2.gz QCVJWBVUDDZWIU-KSWRQPAISA-N 1 1 371.485 1.343 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C3CC3)CCC2)[nH]1 ZINC001130230533 938764239 /nfs/dbraw/zinc/76/42/39/938764239.db2.gz YVIYRECBOICGIA-GJZGRUSLSA-N 1 1 357.458 1.097 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCC2(C)CC2)n1 ZINC001130245213 938770910 /nfs/dbraw/zinc/77/09/10/938770910.db2.gz VSTLDIXYRZADJE-GJZGRUSLSA-N 1 1 359.474 1.487 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCC2(C)CC2)n[nH]1 ZINC001130245213 938770913 /nfs/dbraw/zinc/77/09/13/938770913.db2.gz VSTLDIXYRZADJE-GJZGRUSLSA-N 1 1 359.474 1.487 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CCC=CCC2)[nH]1 ZINC001130249091 938773364 /nfs/dbraw/zinc/77/33/64/938773364.db2.gz JJDRQBDCROICPD-HOTGVXAUSA-N 1 1 357.458 1.263 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)cc(C)c2)n[nH]1 ZINC001130251171 938774221 /nfs/dbraw/zinc/77/42/21/938774221.db2.gz GQZKUUJOLOANSQ-IRXDYDNUSA-N 1 1 367.453 1.447 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)C(C)(F)F)n1 ZINC001130251240 938774399 /nfs/dbraw/zinc/77/43/99/938774399.db2.gz JPUZGGDKSIAASU-RYUDHWBXSA-N 1 1 371.432 1.750 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)(C)C(C)(F)F)n[nH]1 ZINC001130251240 938774401 /nfs/dbraw/zinc/77/44/01/938774401.db2.gz JPUZGGDKSIAASU-RYUDHWBXSA-N 1 1 371.432 1.750 20 30 FDEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001130430625 938845808 /nfs/dbraw/zinc/84/58/08/938845808.db2.gz FFCKWLHMMGJYAQ-BHYGNILZSA-N 1 1 371.485 1.164 20 30 FDEDMO C=CCNC(=O)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001130430625 938845810 /nfs/dbraw/zinc/84/58/10/938845810.db2.gz FFCKWLHMMGJYAQ-BHYGNILZSA-N 1 1 371.485 1.164 20 30 FDEDMO C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc(CC(C)C)[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130590170 939896183 /nfs/dbraw/zinc/89/61/83/939896183.db2.gz CMEPJSQTKZGVSR-MAUKXSAKSA-N 1 1 368.485 1.563 20 30 FDEDMO CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3c[nH]nc32)C[C@H]1c1cn(C)cn1 ZINC001130590306 939896722 /nfs/dbraw/zinc/89/67/22/939896722.db2.gz JKMIRNTUDKFBJQ-XYJFISCASA-N 1 1 366.469 1.171 20 30 FDEDMO C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3cncn3c2)C[C@H]1c1cn(C)cn1 ZINC001130628270 939927327 /nfs/dbraw/zinc/92/73/27/939927327.db2.gz IDBWBLJNKWYUKH-PKOBYXMFSA-N 1 1 362.437 1.289 20 30 FDEDMO C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC001130664095 939957007 /nfs/dbraw/zinc/95/70/07/939957007.db2.gz GMIJYKJCAPSCTN-FUHWJXTLSA-N 1 1 371.489 1.472 20 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CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC(F)(F)F)n[nH]2)O1 ZINC001130765248 940095104 /nfs/dbraw/zinc/09/51/04/940095104.db2.gz JHKAHXMKLWAICL-WDEREUQCSA-N 1 1 359.352 1.206 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)OCC(C)C)n[nH]2)O1 ZINC001130765449 940096274 /nfs/dbraw/zinc/09/62/74/940096274.db2.gz TWDHKNROOKSUOB-QLFBSQMISA-N 1 1 365.478 1.478 20 30 FDEDMO CC1CC(C[NH2+]C[C@@H]2CC[C@H](c3nc(CNC(=O)C#CC4CC4)n[nH]3)O2)C1 ZINC001130785443 940120149 /nfs/dbraw/zinc/12/01/49/940120149.db2.gz MXZBEGHIOVGSTH-MHVXSEJMSA-N 1 1 371.485 1.690 20 30 FDEDMO CC(C)(C)C#CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1 ZINC001130785533 940120522 /nfs/dbraw/zinc/12/05/22/940120522.db2.gz SSOWMRZZEMCDAN-QWHCGFSZSA-N 1 1 351.426 1.250 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C=Cc3ccc[nH]3)n[nH]2)O1 ZINC001130776435 940124639 /nfs/dbraw/zinc/12/46/39/940124639.db2.gz FDXOHZGZBJMGTE-OXUBUWLOSA-N 1 1 370.457 1.848 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnnc(C)c3)n[nH]2)O1 ZINC001130776801 940126258 /nfs/dbraw/zinc/12/62/58/940126258.db2.gz LVWPMBLKXZCMAY-LSDHHAIUSA-N 1 1 371.445 1.219 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[C@H](C)OC)n[nH]2)O1 ZINC001130777270 940128720 /nfs/dbraw/zinc/12/87/20/940128720.db2.gz ZRXNJGXHJYHGKH-SOUVJXGZSA-N 1 1 363.462 1.069 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccoc3Cl)n[nH]2)O1 ZINC001130778062 940131012 /nfs/dbraw/zinc/13/10/12/940131012.db2.gz CWWYNWKBTDADFR-CMPLNLGQSA-N 1 1 365.821 1.977 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3ccoc3)n[nH]2)O1 ZINC001130778394 940131792 /nfs/dbraw/zinc/13/17/92/940131792.db2.gz WDRIAWKSXNESAV-LSDHHAIUSA-N 1 1 357.414 1.090 20 30 FDEDMO C#CCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000806912489 940139404 /nfs/dbraw/zinc/13/94/04/940139404.db2.gz YTMRJEHWOSDRKK-GOSISDBHSA-N 1 1 355.482 1.933 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccoc3CC)n[nH]2)O1 ZINC001130782668 940141940 /nfs/dbraw/zinc/14/19/40/940141940.db2.gz AADQRIIFJBNNLY-SWLSCSKDSA-N 1 1 359.430 1.886 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)n[nH]2)O1 ZINC001130793869 940144416 /nfs/dbraw/zinc/14/44/16/940144416.db2.gz DDLGCUFWYJGJGO-SMLCLMEVSA-N 1 1 371.485 1.690 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ncc(C)cc3C)n[nH]2)O1 ZINC001130794521 940146373 /nfs/dbraw/zinc/14/63/73/940146373.db2.gz XMDUEYCGIDPGCN-LSDHHAIUSA-N 1 1 368.441 1.189 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)cc(C)n3)n[nH]2)O1 ZINC001130790279 940163686 /nfs/dbraw/zinc/16/36/86/940163686.db2.gz QJEPAUHKTHOBPF-GOEBONIOSA-N 1 1 370.457 1.742 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(CCOC)CC3)n[nH]2)O1 ZINC001130790385 940164332 /nfs/dbraw/zinc/16/43/32/940164332.db2.gz XQMCZNQHZPYNFS-UONOGXRCSA-N 1 1 363.462 1.233 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(CF)CCC3)n[nH]2)O1 ZINC001130806779 940181505 /nfs/dbraw/zinc/18/15/05/940181505.db2.gz LBQGYSJPVBXANZ-UONOGXRCSA-N 1 1 365.453 1.947 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3C[C@H]3CC(C)C)n[nH]2)O1 ZINC001130807301 940182588 /nfs/dbraw/zinc/18/25/88/940182588.db2.gz WHWMHPNIPYGJLF-YYIAUSFCSA-N 1 1 373.501 1.936 20 30 FDEDMO C=CCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCC)O2)n1 ZINC001130821783 940202547 /nfs/dbraw/zinc/20/25/47/940202547.db2.gz CXKQYXNLJYGODV-SOUVJXGZSA-N 1 1 365.478 1.622 20 30 FDEDMO C=CCO[C@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC(=C)C)O2)n1 ZINC001130822706 940203096 /nfs/dbraw/zinc/20/30/96/940203096.db2.gz LBZWWGGWMLFSKY-QLFBSQMISA-N 1 1 363.462 1.398 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)Cc3ccco3)n[nH]2)O1 ZINC001130813784 940213525 /nfs/dbraw/zinc/21/35/25/940213525.db2.gz XIVFLUMGKJGNQG-VNQPRFMTSA-N 1 1 371.441 1.336 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C)cc3C)n[nH]2)O1 ZINC001130817486 940223271 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ZINC001075608750 808971763 /nfs/dbraw/zinc/97/17/63/808971763.db2.gz GGZCQEBJFNYKJK-MAUKXSAKSA-N 1 1 353.401 1.777 20 30 FDEDMO Cn1nccc1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001075608750 808971766 /nfs/dbraw/zinc/97/17/66/808971766.db2.gz GGZCQEBJFNYKJK-MAUKXSAKSA-N 1 1 353.401 1.777 20 30 FDEDMO C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001087437525 808985733 /nfs/dbraw/zinc/98/57/33/808985733.db2.gz WNBPUDWKMATSKZ-CRAIPNDOSA-N 1 1 352.438 1.888 20 30 FDEDMO N#CCCn1cc(C[NH+]2CCN(c3ncccn3)CC2)c(-c2ccncc2)n1 ZINC000279460149 809008725 /nfs/dbraw/zinc/00/87/25/809008725.db2.gz UIYBBXUCYBVHGQ-UHFFFAOYSA-N 1 1 374.452 1.971 20 30 FDEDMO Cc1c(-c2cc(C[N@@H+]3C[C@@H]4CCN(C(=O)[C@H](C)C#N)[C@@H]4C3)on2)cnn1C ZINC001075621246 809184840 /nfs/dbraw/zinc/18/48/40/809184840.db2.gz SYMVKEYRRVTMRQ-UVBSCNOISA-N 1 1 368.441 1.576 20 30 FDEDMO C=CCOCC[NH2+][C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1c1ccccc1 ZINC001211723360 809316680 /nfs/dbraw/zinc/31/66/80/809316680.db2.gz UOCWXNOIWLZCIS-VQTJNVASSA-N 1 1 357.498 1.869 20 30 FDEDMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC(C)(C)CC#N ZINC000418968130 809353357 /nfs/dbraw/zinc/35/33/57/809353357.db2.gz AXTQBKXULCCLMW-HNNXBMFYSA-N 1 1 358.442 1.224 20 30 FDEDMO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cn(CC3CC3)nn2)C1 ZINC001087440530 809365668 /nfs/dbraw/zinc/36/56/68/809365668.db2.gz GSZLRHGGTJAXMF-RTBURBONSA-N 1 1 363.465 1.909 20 30 FDEDMO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cn(CC3CC3)nn2)C1 ZINC001087440530 809365676 /nfs/dbraw/zinc/36/56/76/809365676.db2.gz GSZLRHGGTJAXMF-RTBURBONSA-N 1 1 363.465 1.909 20 30 FDEDMO COc1ccc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1C#N ZINC000893778678 809714787 /nfs/dbraw/zinc/71/47/87/809714787.db2.gz NHAQOUJTLGXPHS-IAGOWNOFSA-N 1 1 358.442 1.307 20 30 FDEDMO C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001087443810 809795078 /nfs/dbraw/zinc/79/50/78/809795078.db2.gz GYUSVVZALSZHTM-XUVXKRRUSA-N 1 1 367.493 1.852 20 30 FDEDMO C=CCO[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001211736357 809922164 /nfs/dbraw/zinc/92/21/64/809922164.db2.gz SOEIYOXXNOZELB-ZYSHUDEJSA-N 1 1 369.469 1.490 20 30 FDEDMO C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001087452164 809975637 /nfs/dbraw/zinc/97/56/37/809975637.db2.gz FNRJGHABMJZFOC-SJLPKXTDSA-N 1 1 368.412 1.933 20 30 FDEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(CF)cc2)C[C@H]1OC ZINC001212178003 810055457 /nfs/dbraw/zinc/05/54/57/810055457.db2.gz FDOXCJNNBATAOD-LMMKCTJWSA-N 1 1 350.434 1.799 20 30 FDEDMO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001087456474 810110829 /nfs/dbraw/zinc/11/08/29/810110829.db2.gz ZFXJGPYJAMSXIC-DBXWQHBBSA-N 1 1 371.456 1.649 20 30 FDEDMO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001087456474 810110831 /nfs/dbraw/zinc/11/08/31/810110831.db2.gz ZFXJGPYJAMSXIC-DBXWQHBBSA-N 1 1 371.456 1.649 20 30 FDEDMO N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000473477724 810134181 /nfs/dbraw/zinc/13/41/81/810134181.db2.gz CKTCGTIUDPYRHV-CEXWTWQISA-N 1 1 366.465 1.792 20 30 FDEDMO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](N3CCOCC3)CC2)CC1 ZINC000664020354 810174483 /nfs/dbraw/zinc/17/44/83/810174483.db2.gz RDNLZVOUISZAAV-SFHVURJKSA-N 1 1 350.507 1.533 20 30 FDEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2sc(C)nc2C)C[C@H]1OC ZINC001212178232 810250792 /nfs/dbraw/zinc/25/07/92/810250792.db2.gz NZESLIXUZBAIEN-CKEIUWERSA-N 1 1 353.488 1.402 20 30 FDEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2sc(C)nc2C)C[C@H]1OC ZINC001212178232 810250799 /nfs/dbraw/zinc/25/07/99/810250799.db2.gz NZESLIXUZBAIEN-CKEIUWERSA-N 1 1 353.488 1.402 20 30 FDEDMO C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001087458770 810287204 /nfs/dbraw/zinc/28/72/04/810287204.db2.gz UIFKWMBZDSFOJO-RCCFBDPRSA-N 1 1 359.445 1.955 20 30 FDEDMO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001087459533 810501244 /nfs/dbraw/zinc/50/12/44/810501244.db2.gz JKJKLYOCOWXXFO-SJLPKXTDSA-N 1 1 368.412 1.474 20 30 FDEDMO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001087459533 810501247 /nfs/dbraw/zinc/50/12/47/810501247.db2.gz JKJKLYOCOWXXFO-SJLPKXTDSA-N 1 1 368.412 1.474 20 30 FDEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(Cc3cc(C#N)ccc3F)C2)CC[N@@H+]1C ZINC001028551013 810624238 /nfs/dbraw/zinc/62/42/38/810624238.db2.gz XJNDHASKHCUIBD-QGPMSJSTSA-N 1 1 358.461 1.976 20 30 FDEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(Cc3cc(C#N)ccc3F)C2)CC[N@H+]1C ZINC001028551013 810624244 /nfs/dbraw/zinc/62/42/44/810624244.db2.gz XJNDHASKHCUIBD-QGPMSJSTSA-N 1 1 358.461 1.976 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000982663463 810704350 /nfs/dbraw/zinc/70/43/50/810704350.db2.gz VGOQIHIDTNKEMQ-UKPHBRMFSA-N 1 1 357.458 1.195 20 30 FDEDMO CC(C)(C)N1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1=O ZINC001075658736 810910147 /nfs/dbraw/zinc/91/01/47/810910147.db2.gz QQSAPCSYGZXPDI-USXIJHARSA-N 1 1 369.469 1.432 20 30 FDEDMO COc1cccc(CCC[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)c1 ZINC001083390520 811183052 /nfs/dbraw/zinc/18/30/52/811183052.db2.gz UXPXGVXEIOJLHJ-MOPGFXCFSA-N 1 1 368.437 1.303 20 30 FDEDMO Cc1cccc(C)c1OCC[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083390597 811184125 /nfs/dbraw/zinc/18/41/25/811184125.db2.gz YDYJNHOVWHBRQI-MSOLQXFVSA-N 1 1 368.437 1.357 20 30 FDEDMO Cc1cccc(C)c1OCC[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083390597 811184131 /nfs/dbraw/zinc/18/41/31/811184131.db2.gz YDYJNHOVWHBRQI-MSOLQXFVSA-N 1 1 368.437 1.357 20 30 FDEDMO CON=Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000729363893 811189492 /nfs/dbraw/zinc/18/94/92/811189492.db2.gz QLYVTBAAQLEKSM-KRWDZBQOSA-N 1 1 360.458 1.339 20 30 FDEDMO CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001087464715 811206467 /nfs/dbraw/zinc/20/64/67/811206467.db2.gz ZKBJDCMKLCRULZ-BRWVUGGUSA-N 1 1 359.401 1.232 20 30 FDEDMO CC#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001087464715 811206470 /nfs/dbraw/zinc/20/64/70/811206470.db2.gz ZKBJDCMKLCRULZ-BRWVUGGUSA-N 1 1 359.401 1.232 20 30 FDEDMO N#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCN(C5CCC5)C4=O)C[C@H]32)[nH]1 ZINC001075700407 815454977 /nfs/dbraw/zinc/45/49/77/815454977.db2.gz OZXCJTPWHARSMZ-MORSLUCNSA-N 1 1 367.453 1.186 20 30 FDEDMO C#CCn1ccc(CN(CC)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)n1 ZINC000280078850 811715171 /nfs/dbraw/zinc/71/51/71/811715171.db2.gz RDAWAFXQKBSJTA-QGZVFWFLSA-N 1 1 361.490 1.549 20 30 FDEDMO C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280548647 811857789 /nfs/dbraw/zinc/85/77/89/811857789.db2.gz QFYVBTIKZYZMJG-HKUYNNGSSA-N 1 1 353.422 1.846 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000982898727 811905895 /nfs/dbraw/zinc/90/58/95/811905895.db2.gz VISOQBBAKHSYRE-AYBZRNKSSA-N 1 1 363.502 1.417 20 30 FDEDMO Cc1c(C#N)cccc1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000513822183 815515948 /nfs/dbraw/zinc/51/59/48/815515948.db2.gz XTCYVQCNKKLQKV-HNNXBMFYSA-N 1 1 366.425 1.291 20 30 FDEDMO Cc1c(C#N)cccc1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000513822183 815515951 /nfs/dbraw/zinc/51/59/51/815515951.db2.gz XTCYVQCNKKLQKV-HNNXBMFYSA-N 1 1 366.425 1.291 20 30 FDEDMO Cc1c(C#N)cccc1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000513822184 815516026 /nfs/dbraw/zinc/51/60/26/815516026.db2.gz XTCYVQCNKKLQKV-OAHLLOKOSA-N 1 1 366.425 1.291 20 30 FDEDMO Cc1c(C#N)cccc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000513822184 815516028 /nfs/dbraw/zinc/51/60/28/815516028.db2.gz XTCYVQCNKKLQKV-OAHLLOKOSA-N 1 1 366.425 1.291 20 30 FDEDMO CCCC[N@@H+](C)CCNC(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000514026089 815571152 /nfs/dbraw/zinc/57/11/52/815571152.db2.gz CPRUCGFSITYXIY-MGPUTAFESA-N 1 1 369.469 1.773 20 30 FDEDMO CC[NH+]=C(NCc1nnc2n1CCCCC2)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261831897 813891705 /nfs/dbraw/zinc/89/17/05/813891705.db2.gz VOUHADSYNQTYLV-GOEBONIOSA-N 1 1 359.522 1.542 20 30 FDEDMO CCOC(=O)c1c(NC(=O)NCC2=CC[N@@H+](C)CC2)c(C#N)cn1CC ZINC000421170727 813977843 /nfs/dbraw/zinc/97/78/43/813977843.db2.gz FBHJUYSVTJGOQA-UHFFFAOYSA-N 1 1 359.430 1.940 20 30 FDEDMO Cn1cnc(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)c1 ZINC001075687198 814172518 /nfs/dbraw/zinc/17/25/18/814172518.db2.gz BOJCMCPPRLTOGY-KBXCAEBGSA-N 1 1 353.401 1.777 20 30 FDEDMO Cn1cnc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)c1 ZINC001075687198 814172521 /nfs/dbraw/zinc/17/25/21/814172521.db2.gz BOJCMCPPRLTOGY-KBXCAEBGSA-N 1 1 353.401 1.777 20 30 FDEDMO N#Cc1cccc(CCNC(=O)N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000366978741 814201974 /nfs/dbraw/zinc/20/19/74/814201974.db2.gz BHKQIMAFBXUZDP-RBUKOAKNSA-N 1 1 356.470 1.731 20 30 FDEDMO Cc1cc(NC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)nn1CCC#N ZINC000272145258 814581492 /nfs/dbraw/zinc/58/14/92/814581492.db2.gz XAIJDUCVRFBHSP-INIZCTEOSA-N 1 1 361.494 1.499 20 30 FDEDMO C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)[C@H]2C1 ZINC000272346033 814665061 /nfs/dbraw/zinc/66/50/61/814665061.db2.gz PVGBJHJSUBXCSW-YJBOKZPZSA-N 1 1 370.453 1.860 20 30 FDEDMO COc1ccc(CN2CCN(C(=O)C[NH+]3CCC(C)(C#N)CC3)CC2)cc1 ZINC000272609372 814768401 /nfs/dbraw/zinc/76/84/01/814768401.db2.gz SBUQUIROVMSMAH-UHFFFAOYSA-N 1 1 370.497 1.965 20 30 FDEDMO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000422529538 814826964 /nfs/dbraw/zinc/82/69/64/814826964.db2.gz PEZFSJOLORDTLD-QRVBRYPASA-N 1 1 355.482 1.843 20 30 FDEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001028805205 815733234 /nfs/dbraw/zinc/73/32/34/815733234.db2.gz KGKVNTDSNZZNDD-BMFZPTHFSA-N 1 1 359.857 1.251 20 30 FDEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001028805205 815733237 /nfs/dbraw/zinc/73/32/37/815733237.db2.gz KGKVNTDSNZZNDD-BMFZPTHFSA-N 1 1 359.857 1.251 20 30 FDEDMO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001087465752 815793196 /nfs/dbraw/zinc/79/31/96/815793196.db2.gz HEJAXEXNLNEUCD-CGTJXYLNSA-N 1 1 357.429 1.259 20 30 FDEDMO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001087465752 815793200 /nfs/dbraw/zinc/79/32/00/815793200.db2.gz HEJAXEXNLNEUCD-CGTJXYLNSA-N 1 1 357.429 1.259 20 30 FDEDMO N#Cc1cccc([N+](=O)[O-])c1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000425201528 815796068 /nfs/dbraw/zinc/79/60/68/815796068.db2.gz BBLRCOMBJAHGOK-UHFFFAOYSA-N 1 1 357.414 1.601 20 30 FDEDMO N#Cc1cccc([N+](=O)[O-])c1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000425201528 815796073 /nfs/dbraw/zinc/79/60/73/815796073.db2.gz BBLRCOMBJAHGOK-UHFFFAOYSA-N 1 1 357.414 1.601 20 30 FDEDMO 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N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)CCC3CC3)[C@@H](n3ccnn3)C2)c1 ZINC001128851184 883847248 /nfs/dbraw/zinc/84/72/48/883847248.db2.gz CJNMCAYYZSZGKD-MOPGFXCFSA-N 1 1 364.453 1.882 20 30 FDEDMO CC/C=C\CC[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001128878559 883920165 /nfs/dbraw/zinc/92/01/65/883920165.db2.gz WPBFOJSLMJMOEA-DSLCMKTCSA-N 1 1 353.430 1.489 20 30 FDEDMO CCCCCC[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1 ZINC001128903580 884022763 /nfs/dbraw/zinc/02/27/63/884022763.db2.gz RXBLNYHCYATGIG-SJORKVTESA-N 1 1 355.446 1.713 20 30 FDEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCCCCC)C[C@@H]1n1ccnn1 ZINC001128929295 884145870 /nfs/dbraw/zinc/14/58/70/884145870.db2.gz FTAXRBJASRNMSZ-AOIWGVFYSA-N 1 1 363.506 1.917 20 30 FDEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)CC(=O)NCC)[C@@H](n2ccnn2)C1 ZINC001128930749 884152622 /nfs/dbraw/zinc/15/26/22/884152622.db2.gz ZPQOUGRVQMSJEN-CVEARBPZSA-N 1 1 364.494 1.116 20 30 FDEDMO C#Cc1cncc(C(=O)NC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)c1 ZINC000994565264 884267459 /nfs/dbraw/zinc/26/74/59/884267459.db2.gz BQFSGSSGOADDHH-HHXXYDBFSA-N 1 1 368.481 1.229 20 30 FDEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2nccc(C)n2)[C@@H](n2ccnn2)C1 ZINC001128945108 884270184 /nfs/dbraw/zinc/27/01/84/884270184.db2.gz QMPQOZZSFUSKCO-OAGGEKHMSA-N 1 1 355.446 1.387 20 30 FDEDMO C#Cc1cncc(C(=O)NC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C)c1 ZINC000994566117 884301417 /nfs/dbraw/zinc/30/14/17/884301417.db2.gz HXVXMAVYDNEWCT-RDTXWAMCSA-N 1 1 365.437 1.092 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCN2CCCC2=O)C1 ZINC001034437486 884372111 /nfs/dbraw/zinc/37/21/11/884372111.db2.gz ZXVGVFOROFBLNA-LNLFQRSKSA-N 1 1 363.502 1.561 20 30 FDEDMO C#CCCCCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061755441 884444427 /nfs/dbraw/zinc/44/44/27/884444427.db2.gz JTWNSSMUODUVQF-FGTMMUONSA-N 1 1 363.502 1.254 20 30 FDEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(c3nc(C#N)c(Cl)s3)C2)CC[N@H+]1C ZINC001061757334 884471961 /nfs/dbraw/zinc/47/19/61/884471961.db2.gz JDUNUJRQRMCJLA-IJLUTSLNSA-N 1 1 367.906 1.951 20 30 FDEDMO CC(C)C#CC(=O)N[C@@H]1C[N@H+](C/C=C\c2ccccc2)C[C@@H]1n1ccnn1 ZINC001128971695 884522873 /nfs/dbraw/zinc/52/28/73/884522873.db2.gz NYWMFOMKGIKZPE-WTGAGXSVSA-N 1 1 363.465 1.992 20 30 FDEDMO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](C/C=C\c2ccccc2)C[C@@H]1n1ccnn1 ZINC001128971695 884522884 /nfs/dbraw/zinc/52/28/84/884522884.db2.gz NYWMFOMKGIKZPE-WTGAGXSVSA-N 1 1 363.465 1.992 20 30 FDEDMO Cc1ccc(CC[N@@H+]2C[C@@H](NC(=O)C#CC(C)C)[C@@H](n3ccnn3)C2)cc1 ZINC001128976062 884542600 /nfs/dbraw/zinc/54/26/00/884542600.db2.gz HSYFHCPPXGPEFI-UXHICEINSA-N 1 1 365.481 1.830 20 30 FDEDMO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1n1ccnn1 ZINC001128976538 884546705 /nfs/dbraw/zinc/54/67/05/884546705.db2.gz YGVNSZUFIWSICK-XHSDSOJGSA-N 1 1 365.428 1.714 20 30 FDEDMO C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000658260606 884678189 /nfs/dbraw/zinc/67/81/89/884678189.db2.gz AYRKEVJWHSLFDS-INIZCTEOSA-N 1 1 372.469 1.530 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cnc(CC(C)C)[nH]2)[C@@H](n2ccnn2)C1 ZINC001128985014 884698789 /nfs/dbraw/zinc/69/87/89/884698789.db2.gz GRRFUDIIAISTLM-SJORKVTESA-N 1 1 371.489 1.821 20 30 FDEDMO O=C(C#CC1CC1)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@@H]1n1ccnn1 ZINC001128985440 884716917 /nfs/dbraw/zinc/71/69/17/884716917.db2.gz NQQDOOUQOJZQHK-MSOLQXFVSA-N 1 1 369.494 1.727 20 30 FDEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000246093690 884798607 /nfs/dbraw/zinc/79/86/07/884798607.db2.gz GWKPMACYBLKKKL-IAGOWNOFSA-N 1 1 367.453 1.715 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cn2ccc(C)n2)[C@@H](n2ccnn2)C1 ZINC001129009464 885067459 /nfs/dbraw/zinc/06/74/59/885067459.db2.gz BFVBPLOZVMUFHO-JQHSSLGASA-N 1 1 371.489 1.427 20 30 FDEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@@H]1O ZINC001083967805 912911047 /nfs/dbraw/zinc/91/10/47/912911047.db2.gz ZGUJQGDFBUUBMZ-MOPGFXCFSA-N 1 1 369.465 1.759 20 30 FDEDMO Cc1onc(CC(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)c1C#N ZINC000498555758 885255765 /nfs/dbraw/zinc/25/57/65/885255765.db2.gz QCWIHWGKAUXICC-HNNXBMFYSA-N 1 1 367.453 1.724 20 30 FDEDMO Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1C#N ZINC000919072497 885268968 /nfs/dbraw/zinc/26/89/68/885268968.db2.gz OXMJCRMHGFJNGP-IBGZPJMESA-N 1 1 371.485 1.072 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3ccc(Cl)cc3)C[C@@H]2O)nc1 ZINC001083969424 912917268 /nfs/dbraw/zinc/91/72/68/912917268.db2.gz BCYPNJLUCGADNL-MOPGFXCFSA-N 1 1 369.852 1.734 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(OC)c3C)C[C@@H]2O)nc1 ZINC001083969536 912917711 /nfs/dbraw/zinc/91/77/11/912917711.db2.gz HJKSRLBJKUKNGM-MOPGFXCFSA-N 1 1 365.433 1.355 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(OC)c3C)C[C@@H]2O)nc1 ZINC001083969536 912917721 /nfs/dbraw/zinc/91/77/21/912917721.db2.gz HJKSRLBJKUKNGM-MOPGFXCFSA-N 1 1 365.433 1.355 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCC3(F)F)C[C@@H]2O)nc1 ZINC001083969825 912918927 /nfs/dbraw/zinc/91/89/27/912918927.db2.gz WQGUKEOSWNFFQV-UAGQMJEPSA-N 1 1 363.408 1.663 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCC(F)(F)C3)C[C@@H]2O)cn1 ZINC001083970814 912922571 /nfs/dbraw/zinc/92/25/71/912922571.db2.gz JFRPUEADWPAWIR-XYPHTWIQSA-N 1 1 363.408 1.663 20 30 FDEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001129030214 885346740 /nfs/dbraw/zinc/34/67/40/885346740.db2.gz UZEHVBPNXFZGJG-JQHSSLGASA-N 1 1 371.489 1.341 20 30 FDEDMO C#CCN(C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1)C1CC[NH+](C)CC1 ZINC000919234660 885419575 /nfs/dbraw/zinc/41/95/75/885419575.db2.gz SUGIOFPDOQAMSS-UHFFFAOYSA-N 1 1 370.432 1.850 20 30 FDEDMO C#CCN(C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1)C1CC[NH+](C)CC1 ZINC000919234660 885419598 /nfs/dbraw/zinc/41/95/98/885419598.db2.gz SUGIOFPDOQAMSS-UHFFFAOYSA-N 1 1 370.432 1.850 20 30 FDEDMO C#CCC1(C(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2n2ccnn2)CCOCC1 ZINC001129043279 885517209 /nfs/dbraw/zinc/51/72/09/885517209.db2.gz ORUMQXXOKYVXBJ-MSOLQXFVSA-N 1 1 371.485 1.240 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2ccnc2)[C@@H](n2ccnn2)C1 ZINC001129054516 885585425 /nfs/dbraw/zinc/58/54/25/885585425.db2.gz GDQYUUDIBFBWEG-KURKYZTESA-N 1 1 371.489 1.680 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2ccnc2)[C@@H](n2ccnn2)C1 ZINC001129054516 885585443 /nfs/dbraw/zinc/58/54/43/885585443.db2.gz GDQYUUDIBFBWEG-KURKYZTESA-N 1 1 371.489 1.680 20 30 FDEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC(C)(C)C1 ZINC001089491953 885650124 /nfs/dbraw/zinc/65/01/24/885650124.db2.gz YRYPDUYLFBGGPJ-OAGGEKHMSA-N 1 1 351.491 1.415 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)C[C@H]2C=CCCC2)[C@@H](n2ccnn2)C1 ZINC001129064419 885650632 /nfs/dbraw/zinc/65/06/32/885650632.db2.gz DDUZZBCRARHMKM-KSZLIROESA-N 1 1 359.474 1.569 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CCc2ccc3[nH]ccc3c2)[C@@H](n2ccnn2)C1 ZINC001129103920 885703794 /nfs/dbraw/zinc/70/37/94/885703794.db2.gz WYXZHSQDFUGFBZ-MOPGFXCFSA-N 1 1 364.453 1.920 20 30 FDEDMO C=CC[N@H+]1C[C@@H](NC(=O)CCc2ccc3[nH]ccc3c2)[C@@H](n2ccnn2)C1 ZINC001129103920 885703796 /nfs/dbraw/zinc/70/37/96/885703796.db2.gz WYXZHSQDFUGFBZ-MOPGFXCFSA-N 1 1 364.453 1.920 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C(CC)CC)[C@@H](n2ccnn2)C1 ZINC001129089636 885716355 /nfs/dbraw/zinc/71/63/55/885716355.db2.gz MHPBYHHNLLPGBM-NXHRZFHOSA-N 1 1 363.506 1.895 20 30 FDEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)c2ncnc3[nH]ccc32)[C@@H](n2ccnn2)C1 ZINC001129093352 885721917 /nfs/dbraw/zinc/72/19/17/885721917.db2.gz GJIWHEQIWIAZIL-CABCVRRESA-N 1 1 366.429 1.123 20 30 FDEDMO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)CC2 ZINC001035208608 885785958 /nfs/dbraw/zinc/78/59/58/885785958.db2.gz GOSLDKNPOSKGPN-SJORKVTESA-N 1 1 363.502 1.690 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2c(C)cc(C)[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001129139847 885843058 /nfs/dbraw/zinc/84/30/58/885843058.db2.gz XATQRUHFSULMKW-CVEARBPZSA-N 1 1 370.457 1.617 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)CC(C)(C)C1 ZINC001089514234 885900515 /nfs/dbraw/zinc/90/05/15/885900515.db2.gz KJGRBTXUZXQIDU-BQFCYCMXSA-N 1 1 365.518 1.711 20 30 FDEDMO C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001035370158 885924089 /nfs/dbraw/zinc/92/40/89/885924089.db2.gz IWTPFFGNXNHAFG-QRVBRYPASA-N 1 1 359.470 1.942 20 30 FDEDMO CO[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1NC(=O)C#CC(C)C ZINC001212241598 885929645 /nfs/dbraw/zinc/92/96/45/885929645.db2.gz UCIBZDVHENTNNX-WOJBJXKFSA-N 1 1 366.465 1.847 20 30 FDEDMO C=C(Br)CN1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001035372178 885934383 /nfs/dbraw/zinc/93/43/83/885934383.db2.gz LMQRAJZWRIHRQL-MGPQQGTHSA-N 1 1 360.296 1.052 20 30 FDEDMO 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C=CCOCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2F)[C@@H](n2ccnn2)C1 ZINC001129677886 938491170 /nfs/dbraw/zinc/49/11/70/938491170.db2.gz QLQDPIYOZHDOQF-SJORKVTESA-N 1 1 359.405 1.162 20 30 FDEDMO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)CN(CC)CC)C[C@@H]1n1ccnn1 ZINC001129879237 938536557 /nfs/dbraw/zinc/53/65/57/938536557.db2.gz YIHSUDAEMVYHQK-BBWFWOEESA-N 1 1 366.485 1.266 20 30 FDEDMO C=C(C)CCC(=O)N1C[C@@H]([NH2+]Cc2cc(C)ns2)[C@@H](n2ccnn2)C1 ZINC001129881632 938537573 /nfs/dbraw/zinc/53/75/73/938537573.db2.gz MPWKYHZRTNTGJI-CVEARBPZSA-N 1 1 360.487 1.941 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3c[nH]nc32)C[C@@H]1n1ccnn1 ZINC001129952443 938575637 /nfs/dbraw/zinc/57/56/37/938575637.db2.gz UPQUBDCFBFWSEG-CVEARBPZSA-N 1 1 351.414 1.386 20 30 FDEDMO CC#CCCCC(=O)N1C[C@@H]([NH2+]Cc2cnoc2C)[C@@H](n2ccnn2)C1 ZINC001129972825 938591536 /nfs/dbraw/zinc/59/15/36/938591536.db2.gz NTXMNBVAWZWANN-SJORKVTESA-N 1 1 356.430 1.310 20 30 FDEDMO C#C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccc(Cl)cc1F 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1 353.854 1.602 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](CC)OC)n1 ZINC001130193187 938737879 /nfs/dbraw/zinc/73/78/79/938737879.db2.gz LVFTXZQCVHWQNH-ZNMIVQPWSA-N 1 1 365.478 1.274 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](CC)OC)n[nH]1 ZINC001130193187 938737880 /nfs/dbraw/zinc/73/78/80/938737880.db2.gz LVFTXZQCVHWQNH-ZNMIVQPWSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC[C@H](C)F)n[nH]1 ZINC001130193286 938738298 /nfs/dbraw/zinc/73/82/98/938738298.db2.gz QHOISWYUAOPQCZ-IHRRRGAJSA-N 1 1 353.442 1.597 20 30 FDEDMO C=CCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC[C@H](C)F)n1 ZINC001130193286 938738299 /nfs/dbraw/zinc/73/82/99/938738299.db2.gz QHOISWYUAOPQCZ-IHRRRGAJSA-N 1 1 353.442 1.597 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCCOCC=C)n1 ZINC001130195989 938739119 /nfs/dbraw/zinc/73/91/19/938739119.db2.gz MSKPOVJRTDYOQU-GJZGRUSLSA-N 1 1 363.462 1.052 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCCOCC=C)n[nH]1 ZINC001130195989 938739120 /nfs/dbraw/zinc/73/91/20/938739120.db2.gz MSKPOVJRTDYOQU-GJZGRUSLSA-N 1 1 363.462 1.052 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)n1 ZINC001130196186 938739502 /nfs/dbraw/zinc/73/95/02/938739502.db2.gz VVZUBFFKHHAPPE-CEEVZKBLSA-N 1 1 359.474 1.505 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)n[nH]1 ZINC001130196186 938739504 /nfs/dbraw/zinc/73/95/04/938739504.db2.gz VVZUBFFKHHAPPE-CEEVZKBLSA-N 1 1 359.474 1.505 20 30 FDEDMO C#CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@@H](F)CC)n[nH]1 ZINC001130209605 938747660 /nfs/dbraw/zinc/74/76/60/938747660.db2.gz HFYQTMLZNXTKRB-KKUMJFAQSA-N 1 1 365.453 1.435 20 30 FDEDMO C#CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@@H](F)CC)n1 ZINC001130209605 938747661 /nfs/dbraw/zinc/74/76/61/938747661.db2.gz HFYQTMLZNXTKRB-KKUMJFAQSA-N 1 1 365.453 1.435 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccncc2C)n1 ZINC001130212806 938749492 /nfs/dbraw/zinc/74/94/92/938749492.db2.gz DTZFHGRKBONFLS-HOTGVXAUSA-N 1 1 370.457 1.476 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccncc2C)n[nH]1 ZINC001130212806 938749493 /nfs/dbraw/zinc/74/94/93/938749493.db2.gz DTZFHGRKBONFLS-HOTGVXAUSA-N 1 1 370.457 1.476 20 30 FDEDMO CC(C)(C)C#CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130213022 938749927 /nfs/dbraw/zinc/74/99/27/938749927.db2.gz PPVVIZKFMRDRNL-GJZGRUSLSA-N 1 1 359.474 1.343 20 30 FDEDMO CC(C)(C)C#CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1 ZINC001130213022 938749928 /nfs/dbraw/zinc/74/99/28/938749928.db2.gz PPVVIZKFMRDRNL-GJZGRUSLSA-N 1 1 359.474 1.343 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C)CC2)[nH]1 ZINC001130216401 938752913 /nfs/dbraw/zinc/75/29/13/938752913.db2.gz WQNRLPPVTJVAKQ-RYUDHWBXSA-N 1 1 353.854 1.436 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccc(C)o2)[nH]1 ZINC001130202740 938755226 /nfs/dbraw/zinc/75/52/26/938755226.db2.gz IKPFJSCCEMKOFV-HOTGVXAUSA-N 1 1 371.441 1.050 20 30 FDEDMO C=CCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)CC)n[nH]1 ZINC001130203030 938755433 /nfs/dbraw/zinc/75/54/33/938755433.db2.gz QCNVLEVRIKNWKB-ILXRZTDVSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)CC)n1 ZINC001130203030 938755434 /nfs/dbraw/zinc/75/54/34/938755434.db2.gz QCNVLEVRIKNWKB-ILXRZTDVSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CCC1(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CC#CC)[nH]2)CCC1 ZINC001130240328 938755859 /nfs/dbraw/zinc/75/58/59/938755859.db2.gz NWUKAAJESBTQFM-HOTGVXAUSA-N 1 1 371.485 1.653 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2C=CCCC2)n1 ZINC001130220868 938756459 /nfs/dbraw/zinc/75/64/59/938756459.db2.gz PCOFPLRBNMICGJ-PMPSAXMXSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H]2C=CCCC2)n[nH]1 ZINC001130220868 938756460 /nfs/dbraw/zinc/75/64/60/938756460.db2.gz PCOFPLRBNMICGJ-PMPSAXMXSA-N 1 1 359.474 1.815 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CCF)CC2)n1 ZINC001130224885 938759023 /nfs/dbraw/zinc/75/90/23/938759023.db2.gz HRRJGHAPDSLNBF-KBPBESRZSA-N 1 1 365.453 1.599 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(CCF)CC2)n[nH]1 ZINC001130224885 938759025 /nfs/dbraw/zinc/75/90/25/938759025.db2.gz HRRJGHAPDSLNBF-KBPBESRZSA-N 1 1 365.453 1.599 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2CC=CCC2)[nH]1 ZINC001130229980 938763714 /nfs/dbraw/zinc/76/37/14/938763714.db2.gz LIOSCRJSBBEFLP-PMPSAXMXSA-N 1 1 357.458 1.263 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](OC)C(C)C)n1 ZINC001130234736 938766263 /nfs/dbraw/zinc/76/62/63/938766263.db2.gz JGBKQORHRFZJDR-DZKIICNBSA-N 1 1 365.478 1.130 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](OC)C(C)C)n[nH]1 ZINC001130234736 938766264 /nfs/dbraw/zinc/76/62/64/938766264.db2.gz JGBKQORHRFZJDR-DZKIICNBSA-N 1 1 365.478 1.130 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC23CCC3)n1 ZINC001130240577 938768449 /nfs/dbraw/zinc/76/84/49/938768449.db2.gz VJHURYOFXLXLOF-ZNMIVQPWSA-N 1 1 359.474 1.649 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC23CCC3)n[nH]1 ZINC001130240577 938768450 /nfs/dbraw/zinc/76/84/50/938768450.db2.gz VJHURYOFXLXLOF-ZNMIVQPWSA-N 1 1 359.474 1.649 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](CC)CCC)n1 ZINC001130244251 938770320 /nfs/dbraw/zinc/77/03/20/938770320.db2.gz FPGOSARRLLTZGT-PMPSAXMXSA-N 1 1 361.490 1.733 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](CC)CCC)n[nH]1 ZINC001130244251 938770321 /nfs/dbraw/zinc/77/03/21/938770321.db2.gz FPGOSARRLLTZGT-PMPSAXMXSA-N 1 1 361.490 1.733 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC23CCCC3)n1 ZINC001130244907 938770871 /nfs/dbraw/zinc/77/08/71/938770871.db2.gz QJOILGVPLFNLCZ-XHSDSOJGSA-N 1 1 371.485 1.487 20 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C#CCCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C[C@H](F)CC)O2)n1 ZINC001130778122 940130942 /nfs/dbraw/zinc/13/09/42/940130942.db2.gz GTYZAXPABBWMSU-QLFBSQMISA-N 1 1 365.453 1.782 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3coc(C)n3)n[nH]2)O1 ZINC001130778082 940131129 /nfs/dbraw/zinc/13/11/29/940131129.db2.gz FBGLHBQZBWVDQC-GXTWGEPZSA-N 1 1 360.418 1.417 20 30 FDEDMO CC(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C#CC(C)(C)C)n[nH]2)O1 ZINC001130781338 940137158 /nfs/dbraw/zinc/13/71/58/940137158.db2.gz ZFPXXCXJQYZCBT-LSDHHAIUSA-N 1 1 361.490 1.936 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)CC(F)F)n[nH]2)O1 ZINC001130794031 940144700 /nfs/dbraw/zinc/14/47/00/940144700.db2.gz IZXVGKJKSFAJPH-SDDRHHMPSA-N 1 1 355.389 1.155 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)CC(F)F)n[nH]2)O1 ZINC001130794086 940145054 /nfs/dbraw/zinc/14/50/54/940145054.db2.gz LVSIWZKMESDDTM-SDDRHHMPSA-N 1 1 357.405 1.708 20 30 FDEDMO 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1.122 20 30 FDEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000249738469 672579818 /nfs/dbraw/zinc/57/98/18/672579818.db2.gz XBQZVCJUTAXZJR-QGZVFWFLSA-N 1 1 368.499 1.122 20 30 FDEDMO C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)N1CCN(C)CC1 ZINC000264071972 672900277 /nfs/dbraw/zinc/90/02/77/672900277.db2.gz DORYZVYYICLGAP-LBPRGKRZSA-N 1 1 359.396 1.948 20 30 FDEDMO CCCC(N)=[NH+]OCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000264370315 672910188 /nfs/dbraw/zinc/91/01/88/672910188.db2.gz HOYCQQZGKKCBHK-UHFFFAOYSA-N 1 1 368.459 1.499 20 30 FDEDMO CN1CC[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1=O ZINC000265642863 672959250 /nfs/dbraw/zinc/95/92/50/672959250.db2.gz KJFUXEXTLULROK-AWEZNQCLSA-N 1 1 360.483 1.990 20 30 FDEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000265815281 672994733 /nfs/dbraw/zinc/99/47/33/672994733.db2.gz GVJYCHBISYMZSE-HNNXBMFYSA-N 1 1 367.471 1.349 20 30 FDEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000265815281 672994735 /nfs/dbraw/zinc/99/47/35/672994735.db2.gz GVJYCHBISYMZSE-HNNXBMFYSA-N 1 1 367.471 1.349 20 30 FDEDMO C[C@H]1C[N@@H+](CCCNS(=O)(=O)Cc2ccc(C#N)cc2)CCCO1 ZINC000289296962 676117423 /nfs/dbraw/zinc/11/74/23/676117423.db2.gz YZGYBXIUBPMTNY-HNNXBMFYSA-N 1 1 351.472 1.479 20 30 FDEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000289478440 676142293 /nfs/dbraw/zinc/14/22/93/676142293.db2.gz NVMMXHXLEIESOZ-UONOGXRCSA-N 1 1 361.408 1.966 20 30 FDEDMO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289982165 676186242 /nfs/dbraw/zinc/18/62/42/676186242.db2.gz QQOLMOJTOKFVBU-UHFFFAOYSA-N 1 1 366.487 1.257 20 30 FDEDMO CC(C)(C)CC[NH+]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000290292192 676195351 /nfs/dbraw/zinc/19/53/51/676195351.db2.gz NAAPWMIORSORCI-UHFFFAOYSA-N 1 1 364.515 1.781 20 30 FDEDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)N(CCC#N)CCOC)c1ccco1 ZINC000282775109 675640360 /nfs/dbraw/zinc/64/03/60/675640360.db2.gz ICZKTHCAVVZEPK-HNNXBMFYSA-N 1 1 372.491 1.359 20 30 FDEDMO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)CC1 ZINC000284522997 675724504 /nfs/dbraw/zinc/72/45/04/675724504.db2.gz TZQLHADMVMDXQF-HNNXBMFYSA-N 1 1 364.515 1.234 20 30 FDEDMO CN(C)S(=O)(=O)c1cccc2c1CC[N@H+](CCCSCC#N)C2 ZINC000284699775 675743774 /nfs/dbraw/zinc/74/37/74/675743774.db2.gz IJQPPUUAAHHBOJ-UHFFFAOYSA-N 1 1 353.513 1.942 20 30 FDEDMO CN(C)S(=O)(=O)c1cccc2c1CC[N@@H+](CCCSCC#N)C2 ZINC000284699775 675743775 /nfs/dbraw/zinc/74/37/75/675743775.db2.gz IJQPPUUAAHHBOJ-UHFFFAOYSA-N 1 1 353.513 1.942 20 30 FDEDMO CS(=O)(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000292047646 676280835 /nfs/dbraw/zinc/28/08/35/676280835.db2.gz AYEHLSYAOLKDRG-HZPDHXFCSA-N 1 1 364.471 1.078 20 30 FDEDMO C#CC[N@H+](C)CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)OC ZINC000292725592 676307606 /nfs/dbraw/zinc/30/76/06/676307606.db2.gz HUADOYSFLRUDKD-UHFFFAOYSA-N 1 1 370.431 1.144 20 30 FDEDMO C#CC[N@H+](C)CCCNC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000294075325 676374896 /nfs/dbraw/zinc/37/48/96/676374896.db2.gz WDBQHZKZSFVAOZ-UHFFFAOYSA-N 1 1 370.902 1.964 20 30 FDEDMO C#CC[N@@H+](C)CCCNC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000294075325 676374897 /nfs/dbraw/zinc/37/48/97/676374897.db2.gz WDBQHZKZSFVAOZ-UHFFFAOYSA-N 1 1 370.902 1.964 20 30 FDEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000296766764 676420680 /nfs/dbraw/zinc/42/06/80/676420680.db2.gz GCACLBVZJORIJV-UHFFFAOYSA-N 1 1 362.499 1.607 20 30 FDEDMO COc1ccc(OC)c(NC(=[NH2+])NCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000303776242 676542788 /nfs/dbraw/zinc/54/27/88/676542788.db2.gz HTHMPISPFUBCLW-KBPBESRZSA-N 1 1 350.463 1.930 20 30 FDEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000416600992 679688341 /nfs/dbraw/zinc/68/83/41/679688341.db2.gz YLVSOEXEYJDORG-CVEARBPZSA-N 1 1 350.488 1.529 20 30 FDEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000416600992 679688342 /nfs/dbraw/zinc/68/83/42/679688342.db2.gz YLVSOEXEYJDORG-CVEARBPZSA-N 1 1 350.488 1.529 20 30 FDEDMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NC[C@H]1CCCS1(=O)=O ZINC000328618653 676600026 /nfs/dbraw/zinc/60/00/26/676600026.db2.gz VHMNLGHECQSNPI-HZPDHXFCSA-N 1 1 357.520 1.864 20 30 FDEDMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328720550 676603880 /nfs/dbraw/zinc/60/38/80/676603880.db2.gz WEYUAZMGYYKLTE-IYBDPMFKSA-N 1 1 353.463 1.035 20 30 FDEDMO CCS(=O)(=O)N1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000328799513 676607446 /nfs/dbraw/zinc/60/74/46/676607446.db2.gz HHAXAIIRGPUURA-MQVJKMGUSA-N 1 1 372.535 1.319 20 30 FDEDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)CNC(=O)c3ccc(F)cc3F)[C@@H]2C1 ZINC000329042668 676617064 /nfs/dbraw/zinc/61/70/64/676617064.db2.gz TYQRDJSTZOXOIV-CABCVRRESA-N 1 1 353.369 1.201 20 30 FDEDMO C[C@H](CNC(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1)[N@@H+](C)C1CC1 ZINC000329189144 676624008 /nfs/dbraw/zinc/62/40/08/676624008.db2.gz BXIAREJYGHOPEQ-CABCVRRESA-N 1 1 351.495 1.653 20 30 FDEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329220374 676626173 /nfs/dbraw/zinc/62/61/73/676626173.db2.gz BFWMZWXFSMUMEU-HZPDHXFCSA-N 1 1 351.495 1.117 20 30 FDEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000329228354 676626948 /nfs/dbraw/zinc/62/69/48/676626948.db2.gz IQJZPIIKKHVQDE-HUUCEWRRSA-N 1 1 372.535 1.321 20 30 FDEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329266514 676629449 /nfs/dbraw/zinc/62/94/49/676629449.db2.gz FPUJDBJZGNFFPQ-JKSUJKDBSA-N 1 1 351.495 1.655 20 30 FDEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2sccc2-n2cnnn2)C1 ZINC000329282605 676630775 /nfs/dbraw/zinc/63/07/75/676630775.db2.gz FJUCWYZEJCMNDI-LBPRGKRZSA-N 1 1 350.448 1.385 20 30 FDEDMO CC[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H](C)S1(=O)=O ZINC000329296312 676631801 /nfs/dbraw/zinc/63/18/01/676631801.db2.gz STWNJPIMNPFXHO-HRCADAONSA-N 1 1 359.536 1.776 20 30 FDEDMO Cn1nccc1[C@H]1[C@H](CNC(=O)N2C[C@H](F)C[C@@H]2CO)CCC[N@H+]1C ZINC000329339779 676633803 /nfs/dbraw/zinc/63/38/03/676633803.db2.gz NXIQJWUXVAJPRZ-DSJMHWKBSA-N 1 1 353.442 1.122 20 30 FDEDMO O=C(NCC[NH+]1CCSCC1)C1CCN(C(=O)N2CCCC2)CC1 ZINC000329425014 676637979 /nfs/dbraw/zinc/63/79/79/676637979.db2.gz IKJITJUNDAFZFX-UHFFFAOYSA-N 1 1 354.520 1.920 20 30 FDEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000329475586 676640269 /nfs/dbraw/zinc/64/02/69/676640269.db2.gz NUAVSXCTTLTSPC-MRXNPFEDSA-N 1 1 351.495 1.117 20 30 FDEDMO C[C@H](CNC(=O)N1CC[C@H](NC(=O)NC2CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000329507894 676641731 /nfs/dbraw/zinc/64/17/31/676641731.db2.gz JDDCVJFSRZJMIV-FMKPAKJESA-N 1 1 351.495 1.761 20 30 FDEDMO O=C(NC[C@H]1CCCCS1(=O)=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000329749694 676652883 /nfs/dbraw/zinc/65/28/83/676652883.db2.gz HPAWNSOOIVNCEJ-MRXNPFEDSA-N 1 1 357.520 1.818 20 30 FDEDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000329775466 676655233 /nfs/dbraw/zinc/65/52/33/676655233.db2.gz NBLXCBISMFBMJQ-SLBVQIDZSA-N 1 1 355.504 1.425 20 30 FDEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000329775466 676655234 /nfs/dbraw/zinc/65/52/34/676655234.db2.gz NBLXCBISMFBMJQ-SLBVQIDZSA-N 1 1 355.504 1.425 20 30 FDEDMO Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CCCS(=O)(=O)C3)CC2)c1 ZINC000329813296 676658274 /nfs/dbraw/zinc/65/82/74/676658274.db2.gz DJALFGZKFIBXFK-CQSZACIVSA-N 1 1 352.460 1.003 20 30 FDEDMO Cc1noc([C@H]2C[C@@H](O)CN2C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC000329903450 676663192 /nfs/dbraw/zinc/66/31/92/676663192.db2.gz IIXQAWRIIWTWIR-DDHJSBNISA-N 1 1 351.451 1.520 20 30 FDEDMO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C12CCOCC2 ZINC000329925835 676663941 /nfs/dbraw/zinc/66/39/41/676663941.db2.gz KDDMJGDNEYYTTO-LUKYLMHMSA-N 1 1 351.491 1.901 20 30 FDEDMO CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@]2(C)CCCO2)cc[nH+]1 ZINC000329937361 676664539 /nfs/dbraw/zinc/66/45/39/676664539.db2.gz LMIZEHBNFLBXDQ-DCGLDWPTSA-N 1 1 351.426 1.985 20 30 FDEDMO CC(C)[C@H](CNC(=O)[C@@H]1COCCN1C1CCCC1)[NH+]1CCOCC1 ZINC000330081104 676671475 /nfs/dbraw/zinc/67/14/75/676671475.db2.gz JTYKJUSSPKUWAS-ROUUACIJSA-N 1 1 353.507 1.943 20 30 FDEDMO C[C@H]1OCC[C@H]1[N@H+](CCO)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000330151292 676675449 /nfs/dbraw/zinc/67/54/49/676675449.db2.gz LJUWTIBZDMWPRG-UKRRQHHQSA-N 1 1 350.415 1.908 20 30 FDEDMO C[C@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000330151292 676675450 /nfs/dbraw/zinc/67/54/50/676675450.db2.gz LJUWTIBZDMWPRG-UKRRQHHQSA-N 1 1 350.415 1.908 20 30 FDEDMO C[C@@H](CN1CCCC1=O)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000330273249 676682323 /nfs/dbraw/zinc/68/23/23/676682323.db2.gz YXEICOGSDIXPPF-LSDHHAIUSA-N 1 1 352.479 1.096 20 30 FDEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000330369126 676685170 /nfs/dbraw/zinc/68/51/70/676685170.db2.gz BEBPAXSZVRVVAX-ILXRZTDVSA-N 1 1 360.524 1.190 20 30 FDEDMO COC(=O)[C@]1(C)C[N@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C[C@H]1C ZINC000330372895 676685992 /nfs/dbraw/zinc/68/59/92/676685992.db2.gz CFFLRGJIWIYGGT-JRKPZEMJSA-N 1 1 353.341 1.098 20 30 FDEDMO C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000330376606 676686583 /nfs/dbraw/zinc/68/65/83/676686583.db2.gz DPZAMHVKGDBEAQ-FUHWJXTLSA-N 1 1 364.515 1.967 20 30 FDEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000330381956 676687429 /nfs/dbraw/zinc/68/74/29/676687429.db2.gz WQCZFQSFDXKHFL-JFIYKMOQSA-N 1 1 364.515 1.965 20 30 FDEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000330381965 676687478 /nfs/dbraw/zinc/68/74/78/676687478.db2.gz WQCZFQSFDXKHFL-NUJGCVRESA-N 1 1 364.515 1.965 20 30 FDEDMO C[C@@H]1C[N@H+](CCCNC(=O)c2coc(S(=O)(=O)N(C)C)c2)C[C@H](C)O1 ZINC000330470986 676692193 /nfs/dbraw/zinc/69/21/93/676692193.db2.gz BPIPAEYYMTZMLD-BETUJISGSA-N 1 1 373.475 1.334 20 30 FDEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000330736734 676702650 /nfs/dbraw/zinc/70/26/50/676702650.db2.gz NOCCFKAQIXSLJX-BZUAXINKSA-N 1 1 374.551 1.615 20 30 FDEDMO C[C@H](COc1cccc(F)c1)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000330854291 676706669 /nfs/dbraw/zinc/70/66/69/676706669.db2.gz OVIQVQHIUVXIQI-ILXRZTDVSA-N 1 1 353.438 1.894 20 30 FDEDMO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)C[C@@H]1C ZINC000331074229 676716040 /nfs/dbraw/zinc/71/60/40/676716040.db2.gz VGUAYJACFALVHM-GZBFAFLISA-N 1 1 353.463 1.869 20 30 FDEDMO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)C[C@@H]1C ZINC000331074229 676716042 /nfs/dbraw/zinc/71/60/42/676716042.db2.gz VGUAYJACFALVHM-GZBFAFLISA-N 1 1 353.463 1.869 20 30 FDEDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ncccc1S(C)(=O)=O ZINC000331124595 676717693 /nfs/dbraw/zinc/71/76/93/676717693.db2.gz CSDLXJRWKCNQHG-TZMCWYRMSA-N 1 1 354.476 1.171 20 30 FDEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000331137812 676718373 /nfs/dbraw/zinc/71/83/73/676718373.db2.gz DFWRLJWEGCHPKP-ARFHVFGLSA-N 1 1 359.536 1.920 20 30 FDEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C[C@@H]1C ZINC000331144229 676718542 /nfs/dbraw/zinc/71/85/42/676718542.db2.gz GHEMSLXAXHQROJ-JSGCOSHPSA-N 1 1 354.476 1.835 20 30 FDEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](O)CC(C)(C)C2)CC1 ZINC000332383626 676741076 /nfs/dbraw/zinc/74/10/76/676741076.db2.gz YFMXBAZOCLLOJL-SJORKVTESA-N 1 1 350.507 1.162 20 30 FDEDMO CC[C@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)[N@H+]1CCc2ccccc2C1 ZINC000332669922 676743864 /nfs/dbraw/zinc/74/38/64/676743864.db2.gz HNQWUGLZUGVSKO-CRAIPNDOSA-N 1 1 364.515 1.892 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000332691437 676744441 /nfs/dbraw/zinc/74/44/41/676744441.db2.gz SQSGFYVHWUEOLV-RYRKJORJSA-N 1 1 351.491 1.862 20 30 FDEDMO C=C(C)CN(CC)C(=O)[C@H](C)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000360472613 676868241 /nfs/dbraw/zinc/86/82/41/676868241.db2.gz LTKWTTUYLDRSCD-HKUYNNGSSA-N 1 1 350.551 1.900 20 30 FDEDMO C=C(C)CN(CC)C(=O)[C@H](C)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000360472613 676868243 /nfs/dbraw/zinc/86/82/43/676868243.db2.gz LTKWTTUYLDRSCD-HKUYNNGSSA-N 1 1 350.551 1.900 20 30 FDEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1 ZINC000363099496 676934895 /nfs/dbraw/zinc/93/48/95/676934895.db2.gz SPAAXYWKXSIJEV-CXAGYDPISA-N 1 1 363.487 1.848 20 30 FDEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1 ZINC000363099496 676934897 /nfs/dbraw/zinc/93/48/97/676934897.db2.gz SPAAXYWKXSIJEV-CXAGYDPISA-N 1 1 363.487 1.848 20 30 FDEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1Cl ZINC000363107905 676935461 /nfs/dbraw/zinc/93/54/61/676935461.db2.gz OABDMCSEFUOPJX-KBPBESRZSA-N 1 1 362.817 1.130 20 30 FDEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC(C)(C)CC#N)C1 ZINC000422267720 680702783 /nfs/dbraw/zinc/70/27/83/680702783.db2.gz YDPODGWCPZSNAX-GASCZTMLSA-N 1 1 350.507 1.915 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000368857064 677502080 /nfs/dbraw/zinc/50/20/80/677502080.db2.gz ZCQSQOWTCLWDHH-GXTWGEPZSA-N 1 1 350.419 1.283 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000368857064 677502082 /nfs/dbraw/zinc/50/20/82/677502082.db2.gz ZCQSQOWTCLWDHH-GXTWGEPZSA-N 1 1 350.419 1.283 20 30 FDEDMO CC(C)[C@](C)(C#N)NC(=O)CN[C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369965233 677531893 /nfs/dbraw/zinc/53/18/93/677531893.db2.gz WZAFFHGRULJRRO-DFEOGRTESA-N 1 1 350.507 1.520 20 30 FDEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000369965233 677531895 /nfs/dbraw/zinc/53/18/95/677531895.db2.gz WZAFFHGRULJRRO-DFEOGRTESA-N 1 1 350.507 1.520 20 30 FDEDMO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000370293827 677561839 /nfs/dbraw/zinc/56/18/39/677561839.db2.gz JFRNOTKITLUFIG-VNHYZAJKSA-N 1 1 356.517 1.667 20 30 FDEDMO C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000371734660 677768532 /nfs/dbraw/zinc/76/85/32/677768532.db2.gz OROHMDKNPZHVHB-GOEBONIOSA-N 1 1 355.504 1.246 20 30 FDEDMO CN1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C[C@H]1C#N ZINC000372140525 677849486 /nfs/dbraw/zinc/84/94/86/677849486.db2.gz PAPILAFDCSPXKG-ZMSDIMECSA-N 1 1 361.515 1.980 20 30 FDEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000374416650 678078925 /nfs/dbraw/zinc/07/89/25/678078925.db2.gz RUHSYVOPVHDLNY-BFYDXBDKSA-N 1 1 354.520 1.661 20 30 FDEDMO C#CCNC(=O)C[N@H+]1CCCN(c2nc(C)cc(C(F)(F)F)n2)CC1 ZINC000374920873 678093160 /nfs/dbraw/zinc/09/31/60/678093160.db2.gz RSYGTNKDOGFXAT-UHFFFAOYSA-N 1 1 355.364 1.065 20 30 FDEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2nc(C)cc(C(F)(F)F)n2)CC1 ZINC000374920873 678093162 /nfs/dbraw/zinc/09/31/62/678093162.db2.gz RSYGTNKDOGFXAT-UHFFFAOYSA-N 1 1 355.364 1.065 20 30 FDEDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2cc(S(N)(=O)=O)ccc2C#N)C1 ZINC000376399163 678295850 /nfs/dbraw/zinc/29/58/50/678295850.db2.gz XLIFPOJOEWUCES-CYBMUJFWSA-N 1 1 359.455 1.398 20 30 FDEDMO C[N@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)CCC(C)(C)C#N)CC1 ZINC000377860473 678634003 /nfs/dbraw/zinc/63/40/03/678634003.db2.gz MUMVZAXYNQIHTQ-MRXNPFEDSA-N 1 1 356.536 1.358 20 30 FDEDMO CCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000409569251 678861926 /nfs/dbraw/zinc/86/19/26/678861926.db2.gz DHPKIWLQWLEEMY-WBVHZDCISA-N 1 1 350.488 1.892 20 30 FDEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000409593165 678865744 /nfs/dbraw/zinc/86/57/44/678865744.db2.gz GVTQHABPZNJFBN-BBRMVZONSA-N 1 1 356.467 1.744 20 30 FDEDMO CCN(CCC#N)S(=O)(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000410407503 678893642 /nfs/dbraw/zinc/89/36/42/678893642.db2.gz OVZHOOLDJLFDNY-KRWDZBQOSA-N 1 1 350.488 1.578 20 30 FDEDMO CCN(CCC#N)S(=O)(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000410409098 678894054 /nfs/dbraw/zinc/89/40/54/678894054.db2.gz QSOHJCKCMYFKHC-HDICACEKSA-N 1 1 362.499 1.531 20 30 FDEDMO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(C#N)cc2)s1 ZINC000424724504 680855847 /nfs/dbraw/zinc/85/58/47/680855847.db2.gz FNPYUBBMODHOHV-YPMHNXCESA-N 1 1 361.423 1.892 20 30 FDEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](CO)c2ccsc2)CC1 ZINC000473158453 685266929 /nfs/dbraw/zinc/26/69/29/685266929.db2.gz GKNYSIDSPHOZRP-HOTGVXAUSA-N 1 1 350.488 1.063 20 30 FDEDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000419341727 680240024 /nfs/dbraw/zinc/24/00/24/680240024.db2.gz OSQFQQKOBGJHOG-QWHCGFSZSA-N 1 1 350.850 1.537 20 30 FDEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1 ZINC000422020017 680685469 /nfs/dbraw/zinc/68/54/69/680685469.db2.gz KYLHWNIOPUEWDL-OAHLLOKOSA-N 1 1 351.472 1.317 20 30 FDEDMO C=CCOC[C@@H](NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)C(=O)OC ZINC000435951315 681651508 /nfs/dbraw/zinc/65/15/08/681651508.db2.gz WJVMUDOHCVVLJI-HUUCEWRRSA-N 1 1 354.834 1.803 20 30 FDEDMO CCOC(=O)[C@@]1(COC)CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000439469220 681930300 /nfs/dbraw/zinc/93/03/00/681930300.db2.gz MHRLCLLZSNXWLV-YOEHRIQHSA-N 1 1 351.447 1.229 20 30 FDEDMO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)CC(C)(C)CC#N ZINC000451147768 682827738 /nfs/dbraw/zinc/82/77/38/682827738.db2.gz SLGRUTBBJAXMHO-MRXNPFEDSA-N 1 1 358.552 1.604 20 30 FDEDMO CC[C@H](CO)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000451152918 682829203 /nfs/dbraw/zinc/82/92/03/682829203.db2.gz DEQBAIRYPFVNML-OAHLLOKOSA-N 1 1 350.463 1.654 20 30 FDEDMO N#CCC1(CS(=O)(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000451354047 682867716 /nfs/dbraw/zinc/86/77/16/682867716.db2.gz QGBLWRGYQPEEKC-SJORKVTESA-N 1 1 363.483 1.235 20 30 FDEDMO N#CCC1(CS(=O)(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000451354047 682867722 /nfs/dbraw/zinc/86/77/22/682867722.db2.gz QGBLWRGYQPEEKC-SJORKVTESA-N 1 1 363.483 1.235 20 30 FDEDMO C=CCNC(=O)NC(=O)C[NH2+][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451897427 682961815 /nfs/dbraw/zinc/96/18/15/682961815.db2.gz WEAIWLIBLDHWTB-OAHLLOKOSA-N 1 1 360.241 1.802 20 30 FDEDMO Cc1nc(NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)ccc1C#N ZINC000453588292 683167358 /nfs/dbraw/zinc/16/73/58/683167358.db2.gz CRULLNBZJHBSRD-CQSZACIVSA-N 1 1 357.439 1.681 20 30 FDEDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000453711894 683193133 /nfs/dbraw/zinc/19/31/33/683193133.db2.gz GTFSZUHDJZJARH-XHDPSFHLSA-N 1 1 361.833 1.488 20 30 FDEDMO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(CC#N)cc3Cl)C2)C1 ZINC000453763082 683208354 /nfs/dbraw/zinc/20/83/54/683208354.db2.gz NFCNPBCDSJZTQK-GOSISDBHSA-N 1 1 360.845 1.899 20 30 FDEDMO N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1 ZINC000453819118 683220967 /nfs/dbraw/zinc/22/09/67/683220967.db2.gz MGCAUOCHXALBAE-CYBMUJFWSA-N 1 1 364.833 1.113 20 30 FDEDMO C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2CS(C)(=O)=O)CC1 ZINC000454466192 683319871 /nfs/dbraw/zinc/31/98/71/683319871.db2.gz PMOQBMGVBFXKSV-INIZCTEOSA-N 1 1 357.520 1.636 20 30 FDEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000457077440 683713105 /nfs/dbraw/zinc/71/31/05/683713105.db2.gz CPIDCOHLPNMBDD-INIZCTEOSA-N 1 1 365.499 1.706 20 30 FDEDMO C=C(CC)CNC(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000459075969 684364431 /nfs/dbraw/zinc/36/44/31/684364431.db2.gz MBKOVEAOTLLAQU-UHFFFAOYSA-N 1 1 350.507 1.928 20 30 FDEDMO C=CCSCCNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000481021721 686281809 /nfs/dbraw/zinc/28/18/09/686281809.db2.gz XZGROIUREHPYDD-GASCZTMLSA-N 1 1 355.548 1.895 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000481738351 686359156 /nfs/dbraw/zinc/35/91/56/686359156.db2.gz JFNOEXFCFAMNQA-NXOAAHMSSA-N 1 1 351.491 1.320 20 30 FDEDMO C=CCOC[C@H](NCc1nc2c(s1)C[N@H+](C(C)C)CC2)C(=O)OC ZINC000482459140 686407790 /nfs/dbraw/zinc/40/77/90/686407790.db2.gz VJPKCXAPQZSVCC-AWEZNQCLSA-N 1 1 353.488 1.743 20 30 FDEDMO C[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000488791778 687059393 /nfs/dbraw/zinc/05/93/93/687059393.db2.gz ZPAJSQPPWRHUEO-HIFRSBDPSA-N 1 1 354.372 1.876 20 30 FDEDMO CCOC(=O)CC(C)(C)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 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CCCOc1cccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#CCOC ZINC001109668918 930095169 /nfs/dbraw/zinc/09/51/69/930095169.db2.gz HIGRULYXQMATLD-IKGGRYGDSA-N 1 1 357.454 1.855 20 30 FDEDMO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001109769590 930369662 /nfs/dbraw/zinc/36/96/62/930369662.db2.gz KTCAQFPBQYRMJI-WCVJEAGWSA-N 1 1 354.516 1.745 20 30 FDEDMO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001109769590 930369670 /nfs/dbraw/zinc/36/96/70/930369670.db2.gz KTCAQFPBQYRMJI-WCVJEAGWSA-N 1 1 354.516 1.745 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1csc(C)n1)C2 ZINC001109798246 930435252 /nfs/dbraw/zinc/43/52/52/930435252.db2.gz BKVDEUCQYIPUQJ-VZEFYGNVSA-N 1 1 374.510 1.244 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1csc(C)n1)C2 ZINC001109798246 930435257 /nfs/dbraw/zinc/43/52/57/930435257.db2.gz BKVDEUCQYIPUQJ-VZEFYGNVSA-N 1 1 374.510 1.244 20 30 FDEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCOCC ZINC001109806160 930467086 /nfs/dbraw/zinc/46/70/86/930467086.db2.gz QBLODEAPUKHJRD-XDNAFOTISA-N 1 1 351.491 1.605 20 30 FDEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(C)C)[nH]c1=O)C2 ZINC001109806653 930470381 /nfs/dbraw/zinc/47/03/81/930470381.db2.gz KTSLRGWLGDWMMU-JLSDUUJJSA-N 1 1 357.454 1.896 20 30 FDEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(C)C)[nH]c1=O)C2 ZINC001109806653 930470383 /nfs/dbraw/zinc/47/03/83/930470383.db2.gz KTSLRGWLGDWMMU-JLSDUUJJSA-N 1 1 357.454 1.896 20 30 FDEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ocnc1C ZINC001109805470 930497351 /nfs/dbraw/zinc/49/73/51/930497351.db2.gz BBXDXOMHQVTSJZ-QZWWFDLISA-N 1 1 360.458 1.675 20 30 FDEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ocnc1C ZINC001109805470 930497352 /nfs/dbraw/zinc/49/73/52/930497352.db2.gz BBXDXOMHQVTSJZ-QZWWFDLISA-N 1 1 360.458 1.675 20 30 FDEDMO CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001109828262 930534386 /nfs/dbraw/zinc/53/43/86/930534386.db2.gz SGVRNAKOCMFSGH-QYZOEREBSA-N 1 1 368.481 1.942 20 30 FDEDMO CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001109828262 930534387 /nfs/dbraw/zinc/53/43/87/930534387.db2.gz SGVRNAKOCMFSGH-QYZOEREBSA-N 1 1 368.481 1.942 20 30 FDEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCN(C)S1(=O)=O)C2 ZINC001109823345 930545742 /nfs/dbraw/zinc/54/57/42/930545742.db2.gz WNZWUQWIBUOQBA-LTIDMASMSA-N 1 1 369.531 1.488 20 30 FDEDMO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3cccc(OC)c13)C2 ZINC001109849122 930590486 /nfs/dbraw/zinc/59/04/86/930590486.db2.gz DHEQQUBAZKVXPA-PVAVHDDUSA-N 1 1 370.453 1.881 20 30 FDEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001109855238 930605537 /nfs/dbraw/zinc/60/55/37/930605537.db2.gz UXDALYWFCUYLIW-ILXRZTDVSA-N 1 1 350.463 1.230 20 30 FDEDMO CN(CCC#N)C(=O)CC[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000771444379 930680658 /nfs/dbraw/zinc/68/06/58/930680658.db2.gz RMXAQFHKASMKGJ-OAHLLOKOSA-N 1 1 352.479 1.937 20 30 FDEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3ccnc3)ccn1)C2 ZINC001109922840 930758171 /nfs/dbraw/zinc/75/81/71/930758171.db2.gz RERCOPRGPZRMFV-AOIWGVFYSA-N 1 1 365.437 1.252 20 30 FDEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3ccnc3)ccn1)C2 ZINC001109922840 930758180 /nfs/dbraw/zinc/75/81/80/930758180.db2.gz RERCOPRGPZRMFV-AOIWGVFYSA-N 1 1 365.437 1.252 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C(C)C)nc1C)C2 ZINC001109970178 930915187 /nfs/dbraw/zinc/91/51/87/930915187.db2.gz QWSSPKJMDUJFNJ-LMSBXDPUSA-N 1 1 373.501 1.798 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C(C)C)nc1C)C2 ZINC001109970178 930915191 /nfs/dbraw/zinc/91/51/91/930915191.db2.gz QWSSPKJMDUJFNJ-LMSBXDPUSA-N 1 1 373.501 1.798 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CC(F)(F)C1)C2 ZINC001109963219 930919885 /nfs/dbraw/zinc/91/98/85/930919885.db2.gz YFLZGDILJZMWMG-CRWXNKLISA-N 1 1 353.413 1.281 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CC(F)(F)C1)C2 ZINC001109963219 930919887 /nfs/dbraw/zinc/91/98/87/930919887.db2.gz YFLZGDILJZMWMG-CRWXNKLISA-N 1 1 353.413 1.281 20 30 FDEDMO C#CCOc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCOCC ZINC001109996847 930990604 /nfs/dbraw/zinc/99/06/04/930990604.db2.gz VRPVVRDBNVCIQY-NJAFHUGGSA-N 1 1 357.454 1.855 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(N(C)C)c1)C2 ZINC001110030808 931166168 /nfs/dbraw/zinc/16/61/68/931166168.db2.gz QVIJHNGTTJGVLG-OAOYMFHYSA-N 1 1 368.481 1.226 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(N(C)C)c1)C2 ZINC001110030808 931166177 /nfs/dbraw/zinc/16/61/77/931166177.db2.gz QVIJHNGTTJGVLG-OAOYMFHYSA-N 1 1 368.481 1.226 20 30 FDEDMO C[C@@H](OC(=O)c1ccc(C#N)[nH]1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000786093550 931746613 /nfs/dbraw/zinc/74/66/13/931746613.db2.gz YBPFZJPGYTUKLB-PBHICJAKSA-N 1 1 366.421 1.822 20 30 FDEDMO CC(=NOC[C@@H]1CCOC1)c1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000788030358 932524474 /nfs/dbraw/zinc/52/44/74/932524474.db2.gz MZQCKEBSUXXZDP-OAHLLOKOSA-N 1 1 367.471 1.058 20 30 FDEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000788375609 932680584 /nfs/dbraw/zinc/68/05/84/932680584.db2.gz AASPJVMGGUCPPE-HNNXBMFYSA-N 1 1 354.458 1.735 20 30 FDEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000790460403 933545027 /nfs/dbraw/zinc/54/50/27/933545027.db2.gz PILDTPDUYKCUOM-KRWDZBQOSA-N 1 1 350.426 1.779 20 30 FDEDMO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cn(CC)nn2)C1 ZINC001086601045 934118590 /nfs/dbraw/zinc/11/85/90/934118590.db2.gz CZAHUWPLCCOHGL-RBUKOAKNSA-N 1 1 351.454 1.448 20 30 FDEDMO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001086602625 934158319 /nfs/dbraw/zinc/15/83/19/934158319.db2.gz KJWXYDLSPBABBU-ZWKOTPCHSA-N 1 1 364.449 1.228 20 30 FDEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc(OC)nc2)C1 ZINC001086618097 938328580 /nfs/dbraw/zinc/32/85/80/938328580.db2.gz RGDRHSNXSYLZKW-ZWKOTPCHSA-N 1 1 350.422 1.706 20 30 FDEDMO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc(OC)nc2)C1 ZINC001086618097 938328584 /nfs/dbraw/zinc/32/85/84/938328584.db2.gz RGDRHSNXSYLZKW-ZWKOTPCHSA-N 1 1 350.422 1.706 20 30 FDEDMO C=CC[N@H+]1C[C@@H](NC(=O)COc2ccccc2CC)[C@@H](n2ccnn2)C1 ZINC001129417560 938409315 /nfs/dbraw/zinc/40/93/15/938409315.db2.gz GBFXUKCAOFKQIQ-SJORKVTESA-N 1 1 355.442 1.447 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](NC(=O)COc2ccccc2CC)[C@@H](n2ccnn2)C1 ZINC001129417560 938409317 /nfs/dbraw/zinc/40/93/17/938409317.db2.gz GBFXUKCAOFKQIQ-SJORKVTESA-N 1 1 355.442 1.447 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)cc2)[C@@H](n2ccnn2)C1 ZINC001129400417 938415097 /nfs/dbraw/zinc/41/50/97/938415097.db2.gz NCGHFRZVDGFHGI-MOPGFXCFSA-N 1 1 368.485 1.966 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cccc(OC)c2)[C@@H](n2ccnn2)C1 ZINC001129400565 938416003 /nfs/dbraw/zinc/41/60/03/938416003.db2.gz SLLZXQCZUZMGMB-MSOLQXFVSA-N 1 1 355.442 1.908 20 30 FDEDMO C=C[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1)c1ccccc1 ZINC001129448829 938419175 /nfs/dbraw/zinc/41/91/75/938419175.db2.gz AIZCASCMOQNXTG-OTWHNJEPSA-N 1 1 351.454 1.999 20 30 FDEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)COCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129437952 938425105 /nfs/dbraw/zinc/42/51/05/938425105.db2.gz KMLVGMFWWLFRCH-MOPGFXCFSA-N 1 1 369.469 1.803 20 30 FDEDMO C=CCC[N@H+]1C[C@@H](NC(=O)COCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129438358 938425660 /nfs/dbraw/zinc/42/56/60/938425660.db2.gz STVHEYARYYMGOE-MSOLQXFVSA-N 1 1 355.442 1.413 20 30 FDEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCOCCOC)[C@@H](n2ccnn2)C1 ZINC001129480715 938433875 /nfs/dbraw/zinc/43/38/75/938433875.db2.gz BABPZZLRZJBQSN-ZACQAIPSSA-N 1 1 365.478 1.027 20 30 FDEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460256 938435794 /nfs/dbraw/zinc/43/57/94/938435794.db2.gz HSOCFRRCGQKAKC-MSOLQXFVSA-N 1 1 362.522 1.706 20 30 FDEDMO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460256 938435795 /nfs/dbraw/zinc/43/57/95/938435795.db2.gz HSOCFRRCGQKAKC-MSOLQXFVSA-N 1 1 362.522 1.706 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC2(OC)CCC2)C[C@@H]1n1ccnn1 ZINC001129791529 938508093 /nfs/dbraw/zinc/50/80/93/938508093.db2.gz IKXXWHBOJNOHQL-KGLIPLIRSA-N 1 1 353.854 1.331 20 30 FDEDMO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001086624943 938516232 /nfs/dbraw/zinc/51/62/32/938516232.db2.gz CBPMIQSFIOCVHA-CEXWTWQISA-N 1 1 363.465 1.366 20 30 FDEDMO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001086624943 938516233 /nfs/dbraw/zinc/51/62/33/938516233.db2.gz CBPMIQSFIOCVHA-CEXWTWQISA-N 1 1 363.465 1.366 20 30 FDEDMO C=C(C)CCC(=O)N1C[C@@H]([NH2+]Cc2ncccc2C)[C@@H](n2ccnn2)C1 ZINC001129884724 938539112 /nfs/dbraw/zinc/53/91/12/938539112.db2.gz SMYNBIBACWFVSH-MSOLQXFVSA-N 1 1 354.458 1.880 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2(CCOC)CC2)C[C@@H]1n1ccnn1 ZINC001129890643 938541611 /nfs/dbraw/zinc/54/16/11/938541611.db2.gz SACFWPMJBZXZHD-KGLIPLIRSA-N 1 1 353.854 1.189 20 30 FDEDMO C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]Cc2ocnc2C)[C@@H](n2ccnn2)C1 ZINC001129876424 938546947 /nfs/dbraw/zinc/54/69/47/938546947.db2.gz PVNQKJBXKVKOJK-CABCVRRESA-N 1 1 358.446 1.719 20 30 FDEDMO C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001086625898 938551193 /nfs/dbraw/zinc/55/11/93/938551193.db2.gz HBASNPBIHDMETO-MAUKXSAKSA-N 1 1 350.422 1.564 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@H](OCC)C(C)C)C[C@@H]1n1ccnn1 ZINC001129895635 938557050 /nfs/dbraw/zinc/55/70/50/938557050.db2.gz GTAIPPADSGLGRE-PMPSAXMXSA-N 1 1 369.897 1.823 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2(COC)CCC2)C[C@@H]1n1ccnn1 ZINC001129938139 938564792 /nfs/dbraw/zinc/56/47/92/938564792.db2.gz OBTAZZYFSFMFID-KGLIPLIRSA-N 1 1 353.854 1.189 20 30 FDEDMO C=C[C@H](CC)CC(=O)N1C[C@@H]([NH2+]Cc2cc(C)no2)[C@@H](n2ccnn2)C1 ZINC001129977717 938592654 /nfs/dbraw/zinc/59/26/54/938592654.db2.gz CTKIJSCJUGFBLG-OIISXLGYSA-N 1 1 358.446 1.719 20 30 FDEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cc(C)no2)[C@@H](n2ccnn2)C1 ZINC001129978127 938593728 /nfs/dbraw/zinc/59/37/28/938593728.db2.gz RSANGXRCHBWOKI-XYPHTWIQSA-N 1 1 358.446 1.719 20 30 FDEDMO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc3nnn(C)c32)C1 ZINC001086627735 938597940 /nfs/dbraw/zinc/59/79/40/938597940.db2.gz XYCSMURFXQPYIQ-PKOBYXMFSA-N 1 1 359.433 1.799 20 30 FDEDMO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc3nnn(C)c32)C1 ZINC001086627735 938597942 /nfs/dbraw/zinc/59/79/42/938597942.db2.gz XYCSMURFXQPYIQ-PKOBYXMFSA-N 1 1 359.433 1.799 20 30 FDEDMO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@@H]1n1ccnn1 ZINC001130020350 938619183 /nfs/dbraw/zinc/61/91/83/938619183.db2.gz BPMXVNMPKIOOGA-XWIAVFTESA-N 1 1 369.473 1.889 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCCOC(C)C)C[C@@H]1n1ccnn1 ZINC001130155647 938718909 /nfs/dbraw/zinc/71/89/09/938718909.db2.gz UNROJZBXENGMAQ-CABCVRRESA-N 1 1 355.870 1.577 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccccc2C)n1 ZINC001130177567 938724908 /nfs/dbraw/zinc/72/49/08/938724908.db2.gz IBKKHNHAEGFHOV-HOTGVXAUSA-N 1 1 355.442 1.691 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccccc2C)n[nH]1 ZINC001130177567 938724911 /nfs/dbraw/zinc/72/49/11/938724911.db2.gz IBKKHNHAEGFHOV-HOTGVXAUSA-N 1 1 355.442 1.691 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccccc2)n1 ZINC001130181475 938728465 /nfs/dbraw/zinc/72/84/65/938728465.db2.gz JVHRHXGWFGFJHH-HOTGVXAUSA-N 1 1 353.426 1.220 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccccc2)n[nH]1 ZINC001130181475 938728466 /nfs/dbraw/zinc/72/84/66/938728466.db2.gz JVHRHXGWFGFJHH-HOTGVXAUSA-N 1 1 353.426 1.220 20 30 FDEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COCC)n1 ZINC001130187955 938734331 /nfs/dbraw/zinc/73/43/31/938734331.db2.gz RWMWLKYVJQQILM-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COCC)n[nH]1 ZINC001130187955 938734333 /nfs/dbraw/zinc/73/43/33/938734333.db2.gz RWMWLKYVJQQILM-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCCO[C@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C(C)C)n[nH]1 ZINC001130190477 938735221 /nfs/dbraw/zinc/73/52/21/938735221.db2.gz AFBDBXDBHDBPDI-ILXRZTDVSA-N 1 1 365.478 1.273 20 30 FDEDMO C=CCCO[C@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C(C)C)n1 ZINC001130190477 938735223 /nfs/dbraw/zinc/73/52/23/938735223.db2.gz AFBDBXDBHDBPDI-ILXRZTDVSA-N 1 1 365.478 1.273 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccoc2)n1 ZINC001130183130 938742600 /nfs/dbraw/zinc/74/26/00/938742600.db2.gz RGLLZKFFBKPJCS-GJZGRUSLSA-N 1 1 359.430 1.756 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccoc2)n[nH]1 ZINC001130183130 938742601 /nfs/dbraw/zinc/74/26/01/938742601.db2.gz RGLLZKFFBKPJCS-GJZGRUSLSA-N 1 1 359.430 1.756 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCSC)n1 ZINC001130183236 938742768 /nfs/dbraw/zinc/74/27/68/938742768.db2.gz XQNKBGLPJVNHBM-STQMWFEESA-N 1 1 353.492 1.212 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCSC)n[nH]1 ZINC001130183236 938742769 /nfs/dbraw/zinc/74/27/69/938742769.db2.gz XQNKBGLPJVNHBM-STQMWFEESA-N 1 1 353.492 1.212 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)SC)n1 ZINC001130185120 938744395 /nfs/dbraw/zinc/74/43/95/938744395.db2.gz XOVIRXUHASGIEC-AVGNSLFASA-N 1 1 353.492 1.211 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)SC)n[nH]1 ZINC001130185120 938744396 /nfs/dbraw/zinc/74/43/96/938744396.db2.gz XOVIRXUHASGIEC-AVGNSLFASA-N 1 1 353.492 1.211 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC2(F)F)n1 ZINC001130207590 938746751 /nfs/dbraw/zinc/74/67/51/938746751.db2.gz IFGIASFCFNNGIC-XQQFMLRXSA-N 1 1 369.416 1.504 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC2(F)F)n[nH]1 ZINC001130207590 938746753 /nfs/dbraw/zinc/74/67/53/938746753.db2.gz IFGIASFCFNNGIC-XQQFMLRXSA-N 1 1 369.416 1.504 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(CC=C)CC=C)[nH]1 ZINC001130213051 938749981 /nfs/dbraw/zinc/74/99/81/938749981.db2.gz RBZBULMPSVEJAG-HOTGVXAUSA-N 1 1 357.458 1.285 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@]2(C)CC=CCC2)[nH]1 ZINC001130212975 938750094 /nfs/dbraw/zinc/75/00/94/938750094.db2.gz NLGWEAPLCHVORL-FTRWYGJKSA-N 1 1 371.485 1.653 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)nc(C)c2)n1 ZINC001130216280 938752750 /nfs/dbraw/zinc/75/27/50/938752750.db2.gz RINUCNZMVANALK-HOTGVXAUSA-N 1 1 370.457 1.395 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)nc(C)c2)n[nH]1 ZINC001130216280 938752752 /nfs/dbraw/zinc/75/27/52/938752752.db2.gz RINUCNZMVANALK-HOTGVXAUSA-N 1 1 370.457 1.395 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](CC)SC)n1 ZINC001130200348 938754145 /nfs/dbraw/zinc/75/41/45/938754145.db2.gz IXRFZINVZVLBCH-MELADBBJSA-N 1 1 365.503 1.048 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](CC)SC)n[nH]1 ZINC001130200348 938754147 /nfs/dbraw/zinc/75/41/47/938754147.db2.gz IXRFZINVZVLBCH-MELADBBJSA-N 1 1 365.503 1.048 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)SC)[nH]1 ZINC001130200840 938754561 /nfs/dbraw/zinc/75/45/61/938754561.db2.gz YBRYHFNGKXGNKY-MELADBBJSA-N 1 1 365.503 1.048 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(F)=C2CCCC2)n1 ZINC001130202545 938755057 /nfs/dbraw/zinc/75/50/57/938755057.db2.gz BOQKAVHRLYDFBJ-KBPBESRZSA-N 1 1 363.437 1.867 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(F)=C2CCCC2)n[nH]1 ZINC001130202545 938755059 /nfs/dbraw/zinc/75/50/59/938755059.db2.gz BOQKAVHRLYDFBJ-KBPBESRZSA-N 1 1 363.437 1.867 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCC(C)(F)F)[nH]1 ZINC001130220747 938756090 /nfs/dbraw/zinc/75/60/90/938756090.db2.gz KLEKNZOYSDPTHC-STQMWFEESA-N 1 1 369.416 1.342 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCC23CC3)n1 ZINC001130221104 938756693 /nfs/dbraw/zinc/75/66/93/938756693.db2.gz VANJDEPKBUWWKP-XHSDSOJGSA-N 1 1 371.485 1.487 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CCCC23CC3)n[nH]1 ZINC001130221104 938756695 /nfs/dbraw/zinc/75/66/95/938756695.db2.gz VANJDEPKBUWWKP-XHSDSOJGSA-N 1 1 371.485 1.487 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](F)C(C)C)n1 ZINC001130227549 938761230 /nfs/dbraw/zinc/76/12/30/938761230.db2.gz DDTBNIMZTNWXMI-KCQAQPDRSA-N 1 1 353.442 1.453 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](F)C(C)C)n[nH]1 ZINC001130227549 938761231 /nfs/dbraw/zinc/76/12/31/938761231.db2.gz DDTBNIMZTNWXMI-KCQAQPDRSA-N 1 1 353.442 1.453 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C(C)C)CC2)[nH]1 ZINC001130235170 938766575 /nfs/dbraw/zinc/76/65/75/938766575.db2.gz WPEHSDMTJVLBMU-GJZGRUSLSA-N 1 1 359.474 1.343 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C(C)(F)F)n1 ZINC001130238057 938767467 /nfs/dbraw/zinc/76/74/67/938767467.db2.gz QWNFLWVFFBBKCU-AVGNSLFASA-N 1 1 369.416 1.198 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)C(C)(F)F)n[nH]1 ZINC001130238057 938767469 /nfs/dbraw/zinc/76/74/69/938767469.db2.gz QWNFLWVFFBBKCU-AVGNSLFASA-N 1 1 369.416 1.198 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)CC(C)C)[nH]1 ZINC001130246743 938772016 /nfs/dbraw/zinc/77/20/16/938772016.db2.gz OOXRQRYWPCCJLY-JYJNAYRXSA-N 1 1 361.490 1.589 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H](C)COC)n1 ZINC001130246725 938772200 /nfs/dbraw/zinc/77/22/00/938772200.db2.gz NRTFUIFFASFTDC-KKUMJFAQSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H](C)COC)n[nH]1 ZINC001130246725 938772202 /nfs/dbraw/zinc/77/22/02/938772202.db2.gz NRTFUIFFASFTDC-KKUMJFAQSA-N 1 1 365.478 1.132 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](C)CC(C)C)[nH]1 ZINC001130248946 938773141 /nfs/dbraw/zinc/77/31/41/938773141.db2.gz BJMLGYJQAQCZHA-PMPSAXMXSA-N 1 1 361.490 1.589 20 30 FDEDMO C=CCCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n[nH]1 ZINC001130251189 938774327 /nfs/dbraw/zinc/77/43/27/938774327.db2.gz HNWLELTYIVXNIO-GJZGRUSLSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CCCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n1 ZINC001130251189 938774328 /nfs/dbraw/zinc/77/43/28/938774328.db2.gz HNWLELTYIVXNIO-GJZGRUSLSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CCO[C@@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(=C)C)n[nH]1 ZINC001130251319 938774651 /nfs/dbraw/zinc/77/46/51/938774651.db2.gz NGYNVHFEYZQRFS-KKUMJFAQSA-N 1 1 363.462 1.050 20 30 FDEDMO C=CCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(=C)C)n1 ZINC001130251319 938774652 /nfs/dbraw/zinc/77/46/52/938774652.db2.gz NGYNVHFEYZQRFS-KKUMJFAQSA-N 1 1 363.462 1.050 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@]2(C)CC=C(C)CC2)[nH]1 ZINC001130251533 938774735 /nfs/dbraw/zinc/77/47/35/938774735.db2.gz ZPLJTBAZMJTKKM-FTRWYGJKSA-N 1 1 371.485 1.653 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)cc(C)c2)n1 ZINC001130251507 938774879 /nfs/dbraw/zinc/77/48/79/938774879.db2.gz YKBYUVNNDFJKIF-IRXDYDNUSA-N 1 1 369.469 2.000 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)cc(C)c2)n[nH]1 ZINC001130251507 938774880 /nfs/dbraw/zinc/77/48/80/938774880.db2.gz YKBYUVNNDFJKIF-IRXDYDNUSA-N 1 1 369.469 2.000 20 30 FDEDMO C=C(Cl)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)C#N)CC1 ZINC001130281634 938779474 /nfs/dbraw/zinc/77/94/74/938779474.db2.gz KVMNFNKARBJGSM-PEYYIBSZSA-N 1 1 352.866 1.374 20 30 FDEDMO CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O ZINC001090484553 938854959 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OTPQLGNWMFUMAV-ZIFCJYIRSA-N 1 1 359.518 1.755 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccc(F)c3)n[nH]2)O1 ZINC001130752948 940061183 /nfs/dbraw/zinc/06/11/83/940061183.db2.gz JKCFLWVYIOOCFJ-LSDHHAIUSA-N 1 1 357.389 1.317 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CCOC3)n[nH]2)O1 ZINC001130761958 940068449 /nfs/dbraw/zinc/06/84/49/940068449.db2.gz JSBSCMLHZKXBAX-QLFBSQMISA-N 1 1 363.462 1.233 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccsc3)n[nH]2)O1 ZINC001130756324 940078111 /nfs/dbraw/zinc/07/81/11/940078111.db2.gz ANQPWTVWXXPLFZ-UONOGXRCSA-N 1 1 359.455 1.629 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)n[nH]3)n[nH]2)O1 ZINC001130759881 940087737 /nfs/dbraw/zinc/08/77/37/940087737.db2.gz RKAAZWWSWGIHAN-GXTWGEPZSA-N 1 1 359.434 1.152 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cn[nH]c3)n[nH]2)O1 ZINC001130765406 940096339 /nfs/dbraw/zinc/09/63/39/940096339.db2.gz QUZWXLAUZDUXPQ-UONOGXRCSA-N 1 1 359.434 1.234 20 30 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XQDFDNAZNRYTRR-LSDHHAIUSA-N 1 1 362.499 1.137 20 30 FDEDMO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)CC(F)F)[C@@H]2C1 ZINC001188594854 966447133 /nfs/dbraw/zinc/44/71/33/966447133.db2.gz OQVUJESKKRJMMZ-QLFBSQMISA-N 1 1 370.444 1.573 20 30 FDEDMO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)CC(F)F)[C@@H]2C1 ZINC001188594854 966447140 /nfs/dbraw/zinc/44/71/40/966447140.db2.gz OQVUJESKKRJMMZ-QLFBSQMISA-N 1 1 370.444 1.573 20 30 FDEDMO COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3COc4cc(C)c(C)cc43)[C@@H]2C1 ZINC001188659001 966461843 /nfs/dbraw/zinc/46/18/43/966461843.db2.gz QYEDBCKQWGHQJZ-YSIASYRMSA-N 1 1 368.477 1.962 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COCC(F)F)[C@@H]2C1 ZINC001188659496 966462168 /nfs/dbraw/zinc/46/21/68/966462168.db2.gz WGSGNYISQNPHIX-LSDHHAIUSA-N 1 1 371.428 1.001 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC(F)F)[C@@H]2C1 ZINC001188659496 966462170 /nfs/dbraw/zinc/46/21/70/966462170.db2.gz WGSGNYISQNPHIX-LSDHHAIUSA-N 1 1 371.428 1.001 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cncc(-n4ccnn4)c3)[C@@H]2C1 ZINC001188664012 966466761 /nfs/dbraw/zinc/46/67/61/966466761.db2.gz HYZJGWMIDDGBAV-MAUKXSAKSA-N 1 1 368.441 1.011 20 30 FDEDMO COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c(C)nn(C)c3C)[C@@H]2C1 ZINC001188706393 966509976 /nfs/dbraw/zinc/50/99/76/966509976.db2.gz IZTBCCNINOERFW-PKOBYXMFSA-N 1 1 358.486 1.152 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(-c4nc[nH]n4)c3)[C@@H]2C1 ZINC001188752837 966524275 /nfs/dbraw/zinc/52/42/75/966524275.db2.gz JRQHNCWGUWZRCZ-ZWKOTPCHSA-N 1 1 367.453 1.821 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(=O)NCCC)C[C@H]32)cc1 ZINC001188744049 966552652 /nfs/dbraw/zinc/55/26/52/966552652.db2.gz KKNJNPVOQMKEPM-ZYSHUDEJSA-N 1 1 353.466 1.729 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)C(=O)NCCC)C[C@H]32)cc1 ZINC001188744049 966552657 /nfs/dbraw/zinc/55/26/57/966552657.db2.gz KKNJNPVOQMKEPM-ZYSHUDEJSA-N 1 1 353.466 1.729 20 30 FDEDMO 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FDEDMO N#Cc1cccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)n1 ZINC000583692266 551388713 /nfs/dbraw/zinc/38/87/13/551388713.db2.gz RNTPBLDYMSPJGY-FUHWJXTLSA-N 1 1 365.437 1.958 20 30 FDEDMO COC(=O)c1cc(C(C)(C)[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)no1 ZINC000584320464 551479620 /nfs/dbraw/zinc/47/96/20/551479620.db2.gz VQZWPACJEBAFDL-CYBMUJFWSA-N 1 1 359.382 1.597 20 30 FDEDMO COC(=O)C[C@@H]1CCCCN1CC#CC[N@@H+]1CCCC[C@H]1CC(=O)OC ZINC000585753453 551593584 /nfs/dbraw/zinc/59/35/84/551593584.db2.gz FMXCXCYDLQPAJX-ROUUACIJSA-N 1 1 364.486 1.825 20 30 FDEDMO COC(=O)C[C@@H]1CCCCN1CC#CC[N@H+]1CCCC[C@H]1CC(=O)OC ZINC000585753453 551593585 /nfs/dbraw/zinc/59/35/85/551593585.db2.gz FMXCXCYDLQPAJX-ROUUACIJSA-N 1 1 364.486 1.825 20 30 FDEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@](O)(C(=O)N3CCCC3)C2)cc1 ZINC000585803954 551607784 /nfs/dbraw/zinc/60/77/84/551607784.db2.gz SWRCFNDCJDYVSD-FQEVSTJZSA-N 1 1 370.453 1.336 20 30 FDEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000586859275 551626686 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IGJVPWUAHYRDPB-KRWDZBQOSA-N 1 1 356.470 1.919 20 30 FDEDMO Cc1cc(NCCNC(=O)C(C)C)c(C#N)c(NCCNC(=O)C(C)C)[nH+]1 ZINC000589111222 551710328 /nfs/dbraw/zinc/71/03/28/551710328.db2.gz GOBNYPJCTVQVEH-UHFFFAOYSA-N 1 1 374.489 1.630 20 30 FDEDMO N#Cc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1 ZINC000589485372 551733137 /nfs/dbraw/zinc/73/31/37/551733137.db2.gz LAMSXVGXAQOPFU-SFHVURJKSA-N 1 1 350.422 1.840 20 30 FDEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000590403066 551780740 /nfs/dbraw/zinc/78/07/40/551780740.db2.gz WOOKNTVJGRTNHR-QZTJIDSGSA-N 1 1 372.469 1.530 20 30 FDEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000590403061 551780853 /nfs/dbraw/zinc/78/08/53/551780853.db2.gz WOOKNTVJGRTNHR-MSOLQXFVSA-N 1 1 372.469 1.530 20 30 FDEDMO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590442410 551784689 /nfs/dbraw/zinc/78/46/89/551784689.db2.gz GMLCPXSFVDWOMO-PBHICJAKSA-N 1 1 352.442 1.313 20 30 FDEDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Br)cc(C#N)c3)C[C@@H]21 ZINC000590762571 551814043 /nfs/dbraw/zinc/81/40/43/551814043.db2.gz NSLLNZHXBJBGAL-RISCZKNCSA-N 1 1 370.272 1.645 20 30 FDEDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000590764171 551814385 /nfs/dbraw/zinc/81/43/85/551814385.db2.gz CTRYDXRTJOHPJR-IRXDYDNUSA-N 1 1 360.458 1.228 20 30 FDEDMO C[C@@H]1NC(=O)N(CCN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000590950634 551829027 /nfs/dbraw/zinc/82/90/27/551829027.db2.gz IXNLOYOBDKIGHO-HNNXBMFYSA-N 1 1 355.442 1.006 20 30 FDEDMO C[C@@H]1NC(=O)N(CC[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC000590950634 551829029 /nfs/dbraw/zinc/82/90/29/551829029.db2.gz IXNLOYOBDKIGHO-HNNXBMFYSA-N 1 1 355.442 1.006 20 30 FDEDMO C[C@@H]1NC(=O)N(CC[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC000590950634 551829031 /nfs/dbraw/zinc/82/90/31/551829031.db2.gz IXNLOYOBDKIGHO-HNNXBMFYSA-N 1 1 355.442 1.006 20 30 FDEDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000591470468 551873034 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CUHUEMXVRFGEGF-OLMNPRSZSA-N 1 1 371.441 1.282 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Oc2ccc(OC)cc2)[C@@H](n2ccnn2)C1 ZINC001129139001 885838659 /nfs/dbraw/zinc/83/86/59/885838659.db2.gz CUHUEMXVRFGEGF-OLMNPRSZSA-N 1 1 371.441 1.282 20 30 FDEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129147473 885874456 /nfs/dbraw/zinc/87/44/56/885874456.db2.gz BLOLUWTWSDXGCE-BBWFWOEESA-N 1 1 361.490 1.649 20 30 FDEDMO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2c(C)cnn2C)[C@@H](n2ccnn2)C1 ZINC001129159080 885891631 /nfs/dbraw/zinc/89/16/31/885891631.db2.gz CKBBSKLKAYSIHF-SJORKVTESA-N 1 1 371.489 1.722 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(Cc3cccc(C#N)c3)CCO2)CC[N@H+]1C ZINC001035376829 885983707 /nfs/dbraw/zinc/98/37/07/885983707.db2.gz UQSUEAVLRBFCMV-SLFFLAALSA-N 1 1 370.497 1.606 20 30 FDEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1n1ccnn1 ZINC001129184173 886076547 /nfs/dbraw/zinc/07/65/47/886076547.db2.gz BIMAYYIHMYKABV-NXHRZFHOSA-N 1 1 371.489 1.198 20 30 FDEDMO C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCCNc3ncccc3C#N)cc2C1 ZINC000919796109 886201918 /nfs/dbraw/zinc/20/19/18/886201918.db2.gz RRUSGSUSUCGLOA-UHFFFAOYSA-N 1 1 364.409 1.065 20 30 FDEDMO C[N@H+]1Cc2ccc(NC(=O)C(=O)NCCNc3ncccc3C#N)cc2C1 ZINC000919796109 886201933 /nfs/dbraw/zinc/20/19/33/886201933.db2.gz RRUSGSUSUCGLOA-UHFFFAOYSA-N 1 1 364.409 1.065 20 30 FDEDMO COCC1(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2OC)CC1 ZINC001212244134 886299598 /nfs/dbraw/zinc/29/95/98/886299598.db2.gz GKTYCKKGCMFLCG-QZTJIDSGSA-N 1 1 357.454 1.690 20 30 FDEDMO COCC1(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2OC)CC1 ZINC001212244134 886299616 /nfs/dbraw/zinc/29/96/16/886299616.db2.gz GKTYCKKGCMFLCG-QZTJIDSGSA-N 1 1 357.454 1.690 20 30 FDEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3cccnc32)[C@@H](n2ccnn2)C1 ZINC001129199944 886315834 /nfs/dbraw/zinc/31/58/34/886315834.db2.gz PQCGOJYZMGATDO-KSZLIROESA-N 1 1 366.469 1.711 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(C[NH+]([C@@H](C)C(=O)NC3CC3)C2)CC1 ZINC001035799306 886464415 /nfs/dbraw/zinc/46/44/15/886464415.db2.gz AVMDVUAYGAGJKZ-UAGQMJEPSA-N 1 1 361.486 1.169 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(C[NH+]([C@@H]3CCN(CC)C3=O)C2)CC1 ZINC001035801177 886485013 /nfs/dbraw/zinc/48/50/13/886485013.db2.gz WEQFCCQGCHRCDF-ZACQAIPSSA-N 1 1 361.486 1.123 20 30 FDEDMO C=CCCCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1n1ccnn1 ZINC001129209950 886568618 /nfs/dbraw/zinc/56/86/18/886568618.db2.gz LURHSNRZDXKSCI-KGLIPLIRSA-N 1 1 357.405 1.258 20 30 FDEDMO C=CCCCC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1n1ccnn1 ZINC001129209950 886568633 /nfs/dbraw/zinc/56/86/33/886568633.db2.gz LURHSNRZDXKSCI-KGLIPLIRSA-N 1 1 357.405 1.258 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2occc2CC)[C@@H](n2ccnn2)C1 ZINC001129233069 886731099 /nfs/dbraw/zinc/73/10/99/886731099.db2.gz AOCWLWUKEPTNDI-CVEARBPZSA-N 1 1 359.430 1.291 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2occc2CC)[C@@H](n2ccnn2)C1 ZINC001129233069 886731113 /nfs/dbraw/zinc/73/11/13/886731113.db2.gz AOCWLWUKEPTNDI-CVEARBPZSA-N 1 1 359.430 1.291 20 30 FDEDMO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)CC(C)(C)CC#N)C2 ZINC000920275547 886803983 /nfs/dbraw/zinc/80/39/83/886803983.db2.gz SRHNLOBANIKPDH-ANQUJSFKSA-N 1 1 357.520 1.325 20 30 FDEDMO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)CC(C)(C)CC#N)C2)[C@@H]1C(C)C ZINC000920302422 886841600 /nfs/dbraw/zinc/84/16/00/886841600.db2.gz IPIWJJCQWGUQQF-XLMAVXFVSA-N 1 1 371.547 1.715 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(C#N)nn2)CC[N@H+]1C ZINC001062046668 886937163 /nfs/dbraw/zinc/93/71/63/886937163.db2.gz KCINANMSMZRGHZ-VVLHAWIVSA-N 1 1 354.458 1.258 20 30 FDEDMO C#CCC1(NC(=O)N[C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)CCOCC1 ZINC000888293919 886988758 /nfs/dbraw/zinc/98/87/58/886988758.db2.gz KNZQGWKGCRXNDE-ROUUACIJSA-N 1 1 365.518 1.995 20 30 FDEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001062262996 887025668 /nfs/dbraw/zinc/02/56/68/887025668.db2.gz SVFVMCDGOQTOLL-BRWVUGGUSA-N 1 1 365.518 1.805 20 30 FDEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001062262996 887025680 /nfs/dbraw/zinc/02/56/80/887025680.db2.gz SVFVMCDGOQTOLL-BRWVUGGUSA-N 1 1 365.518 1.805 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001129271981 887104520 /nfs/dbraw/zinc/10/45/20/887104520.db2.gz UCKRJMQUWJWTNL-TVFCKZIOSA-N 1 1 361.490 1.504 20 30 FDEDMO C=CCNc1ncc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)s1 ZINC000372073443 887167244 /nfs/dbraw/zinc/16/72/44/887167244.db2.gz WYWKYMQGRPZBIL-XJKSGUPXSA-N 1 1 374.514 2.287 20 30 FDEDMO COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)cc1C#N ZINC001031679093 887327684 /nfs/dbraw/zinc/32/76/84/887327684.db2.gz HYRBSPTVEBPLFS-CXAGYDPISA-N 1 1 370.453 1.030 20 30 FDEDMO C[NH+]1CCN(CCC(C)(C)NC(=O)Nc2ccc(C(F)(F)F)nn2)CC1 ZINC000329971201 887638264 /nfs/dbraw/zinc/63/82/64/887638264.db2.gz YHNKENXFFDIOAW-UHFFFAOYSA-N 1 1 374.411 2.237 20 30 FDEDMO N#Cc1ccc(CS(=O)(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c(F)c1 ZINC000921321949 887646870 /nfs/dbraw/zinc/64/68/70/887646870.db2.gz LTWGQZJIOAPRTL-JKSUJKDBSA-N 1 1 369.487 1.697 20 30 FDEDMO N#Cc1ccc(CS(=O)(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)c(F)c1 ZINC000921321949 887646876 /nfs/dbraw/zinc/64/68/76/887646876.db2.gz LTWGQZJIOAPRTL-JKSUJKDBSA-N 1 1 369.487 1.697 20 30 FDEDMO C#CC[NH+]1CCC(NS(=O)(=O)C[C@@H](Cc2ccc(F)cc2)OC)CC1 ZINC000921436813 887994370 /nfs/dbraw/zinc/99/43/70/887994370.db2.gz DQAGAUSKKQSTCX-GOSISDBHSA-N 1 1 368.474 1.400 20 30 FDEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(NC(C)=O)cc2F)CC1 ZINC000921439856 887999127 /nfs/dbraw/zinc/99/91/27/887999127.db2.gz LQBLFHGHNKPWHM-UHFFFAOYSA-N 1 1 353.419 1.160 20 30 FDEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000921439635 887999639 /nfs/dbraw/zinc/99/96/39/887999639.db2.gz GHIILEGFGNUPJG-UHFFFAOYSA-N 1 1 362.373 1.961 20 30 FDEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)c3ccc(CC)cc3)C[C@@H]2O)C1 ZINC001083762407 888101548 /nfs/dbraw/zinc/10/15/48/888101548.db2.gz IVAHCNWMYMXALT-QYZOEREBSA-N 1 1 358.482 1.800 20 30 FDEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCCc2cccc(C)c2)C[C@H]1OC ZINC001212262555 888167919 /nfs/dbraw/zinc/16/79/19/888167919.db2.gz RXZINKLRBQIRAX-WOJBJXKFSA-N 1 1 358.482 1.783 20 30 FDEDMO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001089658478 888748697 /nfs/dbraw/zinc/74/86/97/888748697.db2.gz LAICSTFLVYZFAV-MJBXVCDLSA-N 1 1 362.392 1.573 20 30 FDEDMO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCNCC#Cc2ccccc2)CC1 ZINC001127570954 888836696 /nfs/dbraw/zinc/83/66/96/888836696.db2.gz HGIFXZXTNPVCKN-RTWAWAEBSA-N 1 1 369.509 1.491 20 30 FDEDMO CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CCOCC1CC1 ZINC001212270456 888837677 /nfs/dbraw/zinc/83/76/77/888837677.db2.gz QTWLAONVKBSUDX-RTBURBONSA-N 1 1 357.454 1.690 20 30 FDEDMO CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CCOCC1CC1 ZINC001212270456 888837696 /nfs/dbraw/zinc/83/76/96/888837696.db2.gz QTWLAONVKBSUDX-RTBURBONSA-N 1 1 357.454 1.690 20 30 FDEDMO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000179939369 889067180 /nfs/dbraw/zinc/06/71/80/889067180.db2.gz PHKIRBARMYPVDX-MRXNPFEDSA-N 1 1 374.470 1.096 20 30 FDEDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000179939369 889067191 /nfs/dbraw/zinc/06/71/91/889067191.db2.gz PHKIRBARMYPVDX-MRXNPFEDSA-N 1 1 374.470 1.096 20 30 FDEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCCc3ccccc3C)C[C@@H]2O)c1 ZINC001083765467 889088514 /nfs/dbraw/zinc/08/85/14/889088514.db2.gz FZEIJTALSFLQHV-RTWAWAEBSA-N 1 1 363.461 1.779 20 30 FDEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@@H]2O)c1 ZINC001083765574 889107171 /nfs/dbraw/zinc/10/71/71/889107171.db2.gz KHRJWYFCXIUDKB-MOPGFXCFSA-N 1 1 369.396 1.056 20 30 FDEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@@H]2O)c1 ZINC001083765574 889107176 /nfs/dbraw/zinc/10/71/76/889107176.db2.gz KHRJWYFCXIUDKB-MOPGFXCFSA-N 1 1 369.396 1.056 20 30 FDEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CC3CCC4(CC4)CC3)C[C@@H]2O)c1 ZINC001083765628 889110927 /nfs/dbraw/zinc/11/09/27/889110927.db2.gz MUKVUNRPZVBNMY-MOPGFXCFSA-N 1 1 353.466 1.808 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCn1cncn1 ZINC001089698789 889174458 /nfs/dbraw/zinc/17/44/58/889174458.db2.gz CGNWMKFRWYNLOM-ZACQAIPSSA-N 1 1 361.490 1.476 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(=O)NC ZINC001089709425 889278104 /nfs/dbraw/zinc/27/81/04/889278104.db2.gz SUFXGEWVPATMIP-RYRKJORJSA-N 1 1 365.518 1.711 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(=O)NC ZINC001089709425 889278108 /nfs/dbraw/zinc/27/81/08/889278108.db2.gz SUFXGEWVPATMIP-RYRKJORJSA-N 1 1 365.518 1.711 20 30 FDEDMO C#CCN1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)C1 ZINC000923556434 889811763 /nfs/dbraw/zinc/81/17/63/889811763.db2.gz XCJMLQYTYGCDSN-SLFFLAALSA-N 1 1 371.529 1.448 20 30 FDEDMO 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/nfs/dbraw/zinc/43/07/77/938430777.db2.gz VKUHIKCBPSBENO-UHOSZYNNSA-N 1 1 353.470 1.993 20 30 FDEDMO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@@H]1n1ccnn1 ZINC001129481476 938434366 /nfs/dbraw/zinc/43/43/66/938434366.db2.gz LWHBVNHPZWJQHU-NXHRZFHOSA-N 1 1 361.490 1.791 20 30 FDEDMO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@@H]1n1ccnn1 ZINC001129481894 938434371 /nfs/dbraw/zinc/43/43/71/938434371.db2.gz QOIYINCJQMFIKC-QRQLOZEOSA-N 1 1 369.469 1.719 20 30 FDEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCn2ccnc2)[C@@H](n2ccnn2)C1 ZINC001129484704 938439834 /nfs/dbraw/zinc/43/98/34/938439834.db2.gz BYRMCNXSQHDJLT-KSZLIROESA-N 1 1 371.489 1.651 20 30 FDEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)c2nonc2C)[C@@H](n2ccnn2)C1 ZINC001129484864 938440478 /nfs/dbraw/zinc/44/04/78/938440478.db2.gz MDECAWMRDUQMHQ-CABCVRRESA-N 1 1 361.450 1.595 20 30 FDEDMO C#CCNc1nc(NCC2(OC)CCC2)nc(NCC2(OC)CCC2)[nH+]1 ZINC000804603630 938485059 /nfs/dbraw/zinc/48/50/59/938485059.db2.gz STUMYPWRZPJQTR-UHFFFAOYSA-N 1 1 360.462 1.879 20 30 FDEDMO C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@@H]1n1ccnn1 ZINC001129703590 938489482 /nfs/dbraw/zinc/48/94/82/938489482.db2.gz HAEJCMYLEUHRLA-SJORKVTESA-N 1 1 357.462 1.711 20 30 FDEDMO C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2F)[C@@H](n2ccnn2)C1 ZINC001129795742 938509212 /nfs/dbraw/zinc/50/92/12/938509212.db2.gz NXNUGASUIIEUIQ-MSOLQXFVSA-N 1 1 355.417 1.762 20 30 FDEDMO CC(C)(C)C#CC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cn2)[C@@H](n2ccnn2)C1 ZINC001129822562 938522292 /nfs/dbraw/zinc/52/22/92/938522292.db2.gz XLEVRKIGURJLPH-SJORKVTESA-N 1 1 370.432 1.403 20 30 FDEDMO C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2cccnc2OC)[C@@H](n2ccnn2)C1 ZINC001129829487 938523785 /nfs/dbraw/zinc/52/37/85/938523785.db2.gz IVHOVTNBWOMWCY-SJORKVTESA-N 1 1 368.441 1.027 20 30 FDEDMO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001129887532 938540131 /nfs/dbraw/zinc/54/01/31/938540131.db2.gz DGQRAQKBWITRLV-UAGQMJEPSA-N 1 1 357.462 1.330 20 30 FDEDMO C#CCC1(C(=O)N2C[C@@H]([NH2+]Cc3cc(C)no3)[C@@H](n3ccnn3)C2)CCC1 ZINC001129894645 938555682 /nfs/dbraw/zinc/55/56/82/938555682.db2.gz MVCJKFMDYZIUPB-SJORKVTESA-N 1 1 368.441 1.310 20 30 FDEDMO CC#CCCCC(=O)N1C[C@@H]([NH2+]Cc2ncccc2C)[C@@H](n2ccnn2)C1 ZINC001129973014 938591873 /nfs/dbraw/zinc/59/18/73/938591873.db2.gz XAXRMHWWHSKWKQ-MOPGFXCFSA-N 1 1 366.469 1.717 20 30 FDEDMO C=C(C)C[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ocnc2C)[C@@H](n2ccnn2)C1 ZINC001129976308 938600738 /nfs/dbraw/zinc/60/07/38/938600738.db2.gz LCQWGTGLXYDICG-IMJJTQAJSA-N 1 1 358.446 1.719 20 30 FDEDMO C=CCCCC(=O)N1C[C@@H]([NH2+]Cc2cc(OC)ccn2)[C@@H](n2ccnn2)C1 ZINC001129986669 938610010 /nfs/dbraw/zinc/61/00/10/938610010.db2.gz ILUOKXQGXGNOGA-MSOLQXFVSA-N 1 1 370.457 1.580 20 30 FDEDMO C#CCCCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000805053471 938654086 /nfs/dbraw/zinc/65/40/86/938654086.db2.gz RFZZPGIMMYKGIP-MSOLQXFVSA-N 1 1 350.484 1.202 20 30 FDEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(F)F)n1 ZINC001130175499 938724169 /nfs/dbraw/zinc/72/41/69/938724169.db2.gz MNPJADWPKUOWKS-WOPDTQHZSA-N 1 1 357.405 1.503 20 30 FDEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(F)F)n[nH]1 ZINC001130175499 938724172 /nfs/dbraw/zinc/72/41/72/938724172.db2.gz MNPJADWPKUOWKS-WOPDTQHZSA-N 1 1 357.405 1.503 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C)o2)n1 ZINC001130181674 938728752 /nfs/dbraw/zinc/72/87/52/938728752.db2.gz PEZISODCVIBMCC-ZFWWWQNUSA-N 1 1 357.414 1.122 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C)o2)n[nH]1 ZINC001130181674 938728754 /nfs/dbraw/zinc/72/87/54/938728754.db2.gz PEZISODCVIBMCC-ZFWWWQNUSA-N 1 1 357.414 1.122 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnc(C)s2)n1 ZINC001130190490 938735297 /nfs/dbraw/zinc/73/52/97/938735297.db2.gz AZGBXYYLBVMCJC-RYUDHWBXSA-N 1 1 362.459 1.148 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnc(C)s2)n[nH]1 ZINC001130190490 938735299 /nfs/dbraw/zinc/73/52/99/938735299.db2.gz AZGBXYYLBVMCJC-RYUDHWBXSA-N 1 1 362.459 1.148 20 30 FDEDMO C=CCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC[C@@H](C)F)n[nH]1 ZINC001130193287 938738091 /nfs/dbraw/zinc/73/80/91/938738091.db2.gz QHOISWYUAOPQCZ-RDBSUJKOSA-N 1 1 353.442 1.597 20 30 FDEDMO C=CCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC[C@@H](C)F)n1 ZINC001130193287 938738094 /nfs/dbraw/zinc/73/80/94/938738094.db2.gz QHOISWYUAOPQCZ-RDBSUJKOSA-N 1 1 353.442 1.597 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ccoc2)n1 ZINC001130204839 938745678 /nfs/dbraw/zinc/74/56/78/938745678.db2.gz MFPIKJNPDCABPG-GJZGRUSLSA-N 1 1 359.430 1.295 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2ccoc2)n[nH]1 ZINC001130204839 938745680 /nfs/dbraw/zinc/74/56/80/938745680.db2.gz MFPIKJNPDCABPG-GJZGRUSLSA-N 1 1 359.430 1.295 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)=CCC)[nH]1 ZINC001130200226 938753759 /nfs/dbraw/zinc/75/37/59/938753759.db2.gz DOWDUTVEYYDDIM-LSWFWALPSA-N 1 1 367.881 1.992 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CO[C@H](C)CC)n1 ZINC001130200580 938754512 /nfs/dbraw/zinc/75/45/12/938754512.db2.gz RPRFQCRVAGATMA-ILXRZTDVSA-N 1 1 365.478 1.274 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CO[C@H](C)CC)n[nH]1 ZINC001130200580 938754514 /nfs/dbraw/zinc/75/45/14/938754514.db2.gz RPRFQCRVAGATMA-ILXRZTDVSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](CC)SC)n1 ZINC001130200741 938754534 /nfs/dbraw/zinc/75/45/34/938754534.db2.gz VMKOJLNPRCBHHC-AVGNSLFASA-N 1 1 353.492 1.211 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](CC)SC)n[nH]1 ZINC001130200741 938754535 /nfs/dbraw/zinc/75/45/35/938754535.db2.gz VMKOJLNPRCBHHC-AVGNSLFASA-N 1 1 353.492 1.211 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC=CCCC2)[nH]1 ZINC001130220728 938756196 /nfs/dbraw/zinc/75/61/96/938756196.db2.gz KBVWIYJHYQIJLK-IKGGRYGDSA-N 1 1 371.485 1.653 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c(C)cccc2C)n1 ZINC001130240087 938760422 /nfs/dbraw/zinc/76/04/22/938760422.db2.gz IDODYWVYHHVTAP-HOTGVXAUSA-N 1 1 369.469 2.000 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c(C)cccc2C)n[nH]1 ZINC001130240087 938760423 /nfs/dbraw/zinc/76/04/23/938760423.db2.gz IDODYWVYHHVTAP-HOTGVXAUSA-N 1 1 369.469 2.000 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](F)C(C)C)n1 ZINC001130227550 938761204 /nfs/dbraw/zinc/76/12/04/938761204.db2.gz DDTBNIMZTNWXMI-YDHLFZDLSA-N 1 1 353.442 1.453 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](F)C(C)C)n[nH]1 ZINC001130227550 938761208 /nfs/dbraw/zinc/76/12/08/938761208.db2.gz DDTBNIMZTNWXMI-YDHLFZDLSA-N 1 1 353.442 1.453 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]2(C)C=CCC2)n1 ZINC001130227876 938762218 /nfs/dbraw/zinc/76/22/18/938762218.db2.gz SVUQEEJZLUVRHH-YZVOILCLSA-N 1 1 359.474 1.815 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@]2(C)C=CCC2)n[nH]1 ZINC001130227876 938762219 /nfs/dbraw/zinc/76/22/19/938762219.db2.gz SVUQEEJZLUVRHH-YZVOILCLSA-N 1 1 359.474 1.815 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC3(CC3)C2)n1 ZINC001130234688 938765886 /nfs/dbraw/zinc/76/58/86/938765886.db2.gz HYVNUSCBSHUZBO-GJZGRUSLSA-N 1 1 359.474 1.649 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CC3(CC3)C2)n[nH]1 ZINC001130234688 938765887 /nfs/dbraw/zinc/76/58/87/938765887.db2.gz HYVNUSCBSHUZBO-GJZGRUSLSA-N 1 1 359.474 1.649 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC3(CC3)C2)n1 ZINC001130234943 938766236 /nfs/dbraw/zinc/76/62/36/938766236.db2.gz QFSPBGIPNMLAHN-GJZGRUSLSA-N 1 1 359.474 1.649 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CC3(CC3)C2)n[nH]1 ZINC001130234943 938766238 /nfs/dbraw/zinc/76/62/38/938766238.db2.gz QFSPBGIPNMLAHN-GJZGRUSLSA-N 1 1 359.474 1.649 20 30 FDEDMO C=CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC[C@H](C)F)n[nH]1 ZINC001130238093 938767619 /nfs/dbraw/zinc/76/76/19/938767619.db2.gz SWUBNRQRSCKKKZ-KKUMJFAQSA-N 1 1 367.469 1.987 20 30 FDEDMO C=CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC[C@H](C)F)n1 ZINC001130238093 938767622 /nfs/dbraw/zinc/76/76/22/938767622.db2.gz SWUBNRQRSCKKKZ-KKUMJFAQSA-N 1 1 367.469 1.987 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CCC)C(C)C)[nH]1 ZINC001130242288 938769538 /nfs/dbraw/zinc/76/95/38/938769538.db2.gz PNSOHRWSNLCFNX-PMPSAXMXSA-N 1 1 361.490 1.589 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[C@H](C)CC)[nH]1 ZINC001130242350 938769573 /nfs/dbraw/zinc/76/95/73/938769573.db2.gz STNMQHRBTSGEKN-PMPSAXMXSA-N 1 1 361.490 1.733 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)CC(C)C)[nH]1 ZINC001130244874 938770712 /nfs/dbraw/zinc/77/07/12/938770712.db2.gz OSUOXESGWDVZAM-JYJNAYRXSA-N 1 1 361.490 1.589 20 30 FDEDMO C=C[C@H](C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC)n[nH]1)c1ccccc1 ZINC001130251324 938774429 /nfs/dbraw/zinc/77/44/29/938774429.db2.gz NJTIAPAKDOGNMK-ULQDDVLXSA-N 1 1 369.469 1.873 20 30 FDEDMO C=C[C@H](C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC)n1)c1ccccc1 ZINC001130251324 938774431 /nfs/dbraw/zinc/77/44/31/938774431.db2.gz NJTIAPAKDOGNMK-ULQDDVLXSA-N 1 1 369.469 1.873 20 30 FDEDMO C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2cnc[nH]2)CC1 ZINC001130290620 938795038 /nfs/dbraw/zinc/79/50/38/938795038.db2.gz HLPBPEIAHGBADI-APWZRJJASA-N 1 1 359.474 1.004 20 30 FDEDMO C=CCCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001130395310 938828881 /nfs/dbraw/zinc/82/88/81/938828881.db2.gz HJWPRBBSAOEAEQ-MPGHIAIKSA-N 1 1 362.474 1.585 20 30 FDEDMO CC(C)[C@@H](C#N)N1CC[NH+](C[C@@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000822784656 945221365 /nfs/dbraw/zinc/22/13/65/945221365.db2.gz DRBCHLOYKMAGLR-JKSUJKDBSA-N 1 1 354.495 1.380 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130652222 939946495 /nfs/dbraw/zinc/94/64/95/939946495.db2.gz KEIXAXKKJQMEFJ-LSTDLKDCSA-N 1 1 357.502 1.058 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130652222 939946496 /nfs/dbraw/zinc/94/64/96/939946496.db2.gz KEIXAXKKJQMEFJ-LSTDLKDCSA-N 1 1 357.502 1.058 20 30 FDEDMO C=CCC(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001130685191 939975054 /nfs/dbraw/zinc/97/50/54/939975054.db2.gz IDUIGPYARLAHFL-DOTOQJQBSA-N 1 1 371.489 1.235 20 30 FDEDMO C=CCC(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001130682540 939982241 /nfs/dbraw/zinc/98/22/41/939982241.db2.gz DLWMBVBFNNGUMW-GOEBONIOSA-N 1 1 371.489 1.235 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1c1cn(C)cn1 ZINC001130683098 939983095 /nfs/dbraw/zinc/98/30/95/939983095.db2.gz XKQBKNBAZPEUPY-KBXCAEBGSA-N 1 1 354.458 1.795 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1c1cn(C)cn1 ZINC001130709760 939997708 /nfs/dbraw/zinc/99/77/08/939997708.db2.gz FAZWAHPHIIUTLX-DZGCQCFKSA-N 1 1 367.881 1.102 20 30 FDEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000806737209 940031685 /nfs/dbraw/zinc/03/16/85/940031685.db2.gz QLWVJKSMNRDFOJ-CRAIPNDOSA-N 1 1 363.458 1.723 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)oc3C)n[nH]2)O1 ZINC001130756467 940078407 /nfs/dbraw/zinc/07/84/07/940078407.db2.gz IRMANQVHKLTGOU-GOEBONIOSA-N 1 1 371.441 1.778 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(Cl)o3)n[nH]2)O1 ZINC001130759820 940087427 /nfs/dbraw/zinc/08/74/27/940087427.db2.gz OKNLSPNIYFXTJS-WDEREUQCSA-N 1 1 365.821 1.977 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3CCCO3)n[nH]2)O1 ZINC001130765443 940096284 /nfs/dbraw/zinc/09/62/84/940096284.db2.gz SWFJPUCYMVGFIK-SOUVJXGZSA-N 1 1 363.462 1.376 20 30 FDEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC=C(C)C)O2)n1 ZINC001130767952 940102811 /nfs/dbraw/zinc/10/28/11/940102811.db2.gz VWPUYRBHSFZBCX-LSDHHAIUSA-N 1 1 363.462 1.399 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H](C)OC)n[nH]2)O1 ZINC001130769441 940106489 /nfs/dbraw/zinc/10/64/89/940106489.db2.gz JOGSIWVVGCPDFO-MELADBBJSA-N 1 1 351.451 1.232 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)COC)n[nH]2)O1 ZINC001130769434 940106518 /nfs/dbraw/zinc/10/65/18/940106518.db2.gz JJYKQLINIFFNRW-SOUVJXGZSA-N 1 1 365.478 1.479 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(C)=C3CCC3)n[nH]2)O1 ZINC001130785495 940120155 /nfs/dbraw/zinc/12/01/55/940120155.db2.gz QPAJKJQITWEQRA-JKSUJKDBSA-N 1 1 357.458 1.754 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)n3cccc3)n[nH]2)O1 ZINC001130776393 940124977 /nfs/dbraw/zinc/12/49/77/940124977.db2.gz CMAJVHZNMYIPTK-HRCADAONSA-N 1 1 370.457 1.317 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3C[C@@H]3C(F)F)n[nH]2)O1 ZINC001130781070 940136517 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FGFZXCZQKXYTJA-QWHCGFSZSA-N 1 1 369.416 1.689 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(COC)CC3)n[nH]2)O1 ZINC001130792443 940170032 /nfs/dbraw/zinc/17/00/32/940170032.db2.gz DVNKQBQUJRNIQR-UONOGXRCSA-N 1 1 363.462 1.233 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(C)(C)COC)n[nH]2)O1 ZINC001130792694 940171730 /nfs/dbraw/zinc/17/17/30/940171730.db2.gz SBZWLTCUWMOORC-QWHCGFSZSA-N 1 1 351.451 1.089 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3[nH]c(C)nc3C)n[nH]2)O1 ZINC001130809183 940186501 /nfs/dbraw/zinc/18/65/01/940186501.db2.gz LFGBNBYNAYWXCD-QWHCGFSZSA-N 1 1 359.434 1.070 20 30 FDEDMO C=C1CC(C)(C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCCF)O3)n2)C1 ZINC001130809320 940187892 /nfs/dbraw/zinc/18/78/92/940187892.db2.gz RDTCDLUQUVCUFN-UONOGXRCSA-N 1 1 365.453 1.947 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3conc3C)n[nH]2)O1 ZINC001130802238 940197211 /nfs/dbraw/zinc/19/72/11/940197211.db2.gz JJLJUMFNXNPCSV-GXTWGEPZSA-N 1 1 360.418 1.417 20 30 FDEDMO C=CCO[C@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n1 ZINC001130822840 940203403 /nfs/dbraw/zinc/20/34/03/940203403.db2.gz NDRZHMHGGKXVKE-HZSPNIEDSA-N 1 1 351.451 1.230 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3nccs3)n[nH]2)O1 ZINC001130811885 940205716 /nfs/dbraw/zinc/20/57/16/940205716.db2.gz QJJGINWSEYFJFR-NWDGAFQWSA-N 1 1 362.459 1.577 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H](C)COC)n[nH]2)O1 ZINC001130813128 940211591 /nfs/dbraw/zinc/21/15/91/940211591.db2.gz JARFXRDUIMLFPH-SOUVJXGZSA-N 1 1 365.478 1.479 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H](C)COC)n[nH]2)O1 ZINC001130813126 940212017 /nfs/dbraw/zinc/21/20/17/940212017.db2.gz JARFXRDUIMLFPH-QLFBSQMISA-N 1 1 365.478 1.479 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c[nH]cc3C3CC3)n[nH]2)O1 ZINC001130816460 940219171 /nfs/dbraw/zinc/21/91/71/940219171.db2.gz XTDYZYBUQSYNHY-XJKSGUPXSA-N 1 1 368.441 1.383 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[C@@H](C)OC)C[C@H]1c1cncn1C ZINC001130964303 940385163 /nfs/dbraw/zinc/38/51/63/940385163.db2.gz DSEXQTYXKNJBFY-RBSFLKMASA-N 1 1 354.882 1.872 20 30 FDEDMO CCn1ccc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cncn2C)n1 ZINC001130991280 940413432 /nfs/dbraw/zinc/41/34/32/940413432.db2.gz BSOIUYXHLXFPNO-QZTJIDSGSA-N 1 1 368.485 1.380 20 30 FDEDMO C=C[C@H](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001131057408 940477723 /nfs/dbraw/zinc/47/77/23/940477723.db2.gz HFSZBVVNTIWGMJ-DJIMGWMZSA-N 1 1 371.489 1.235 20 30 FDEDMO C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001131055648 940481567 /nfs/dbraw/zinc/48/15/67/940481567.db2.gz GLWVQDMCJJHYBO-USXIJHARSA-N 1 1 371.489 1.235 20 30 FDEDMO COc1ccc(CNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1C#N ZINC000747433444 940496302 /nfs/dbraw/zinc/49/63/02/940496302.db2.gz WVSGDGWKIATXBO-GOSISDBHSA-N 1 1 371.485 1.488 20 30 FDEDMO C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1c1cncn1C 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C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(CC)CC(=C)C ZINC001110179145 963027405 /nfs/dbraw/zinc/02/74/05/963027405.db2.gz XHRIPSBEJUHOTL-SQNIBIBYSA-N 1 1 363.502 1.725 20 30 FDEDMO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(CC)CC(=C)C ZINC001110179145 963027411 /nfs/dbraw/zinc/02/74/11/963027411.db2.gz XHRIPSBEJUHOTL-SQNIBIBYSA-N 1 1 363.502 1.725 20 30 FDEDMO COC1(C)CC[NH+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 ZINC000774639995 963079801 /nfs/dbraw/zinc/07/98/01/963079801.db2.gz OJOKZXXECORHQE-IBGZPJMESA-N 1 1 356.426 1.784 20 30 FDEDMO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NCCCC ZINC001110183164 963100166 /nfs/dbraw/zinc/10/01/66/963100166.db2.gz MCSRBNRQRZRUDN-NCOADZHNSA-N 1 1 351.491 1.605 20 30 FDEDMO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NCCCC ZINC001110183164 963100174 /nfs/dbraw/zinc/10/01/74/963100174.db2.gz MCSRBNRQRZRUDN-NCOADZHNSA-N 1 1 351.491 1.605 20 30 FDEDMO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NCCC(C)C ZINC001110183567 963104678 /nfs/dbraw/zinc/10/46/78/963104678.db2.gz YQDFYXWJABAEHL-MHORFTMASA-N 1 1 365.518 1.851 20 30 FDEDMO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NCCC(C)C ZINC001110183567 963104685 /nfs/dbraw/zinc/10/46/85/963104685.db2.gz YQDFYXWJABAEHL-MHORFTMASA-N 1 1 365.518 1.851 20 30 FDEDMO C[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CCC[C@H]1C#N ZINC001175251064 963110785 /nfs/dbraw/zinc/11/07/85/963110785.db2.gz WAVBNRSOYQRYOU-UONOGXRCSA-N 1 1 361.446 1.286 20 30 FDEDMO C[N@@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CCC[C@H]1C#N ZINC001175251064 963110790 /nfs/dbraw/zinc/11/07/90/963110790.db2.gz WAVBNRSOYQRYOU-UONOGXRCSA-N 1 1 361.446 1.286 20 30 FDEDMO C=CCOCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCCC1)C2 ZINC001111684172 963185887 /nfs/dbraw/zinc/18/58/87/963185887.db2.gz FTVNURWXLPCOQE-PXNSSMCTSA-N 1 1 363.502 1.562 20 30 FDEDMO C[N@@H+]1CCC=C(Nc2c(C#N)cnn2-c2ccc(S(C)(=O)=O)cc2)C1 ZINC001175577085 963237749 /nfs/dbraw/zinc/23/77/49/963237749.db2.gz QDHDCBDFPSAXEF-UHFFFAOYSA-N 1 1 357.439 1.779 20 30 FDEDMO C[N@H+]1CCC=C(Nc2c(C#N)cnn2-c2ccc(S(C)(=O)=O)cc2)C1 ZINC001175577085 963237763 /nfs/dbraw/zinc/23/77/63/963237763.db2.gz QDHDCBDFPSAXEF-UHFFFAOYSA-N 1 1 357.439 1.779 20 30 FDEDMO Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]2CCCCN2Cc2ccccc2C#N)n[nH]1 ZINC001183839070 963305615 /nfs/dbraw/zinc/30/56/15/963305615.db2.gz GSBLTJDIXSHFRP-INIZCTEOSA-N 1 1 365.441 1.871 20 30 FDEDMO N#Cc1ccccc1CN1CCCC[C@@H]1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001183841771 963307254 /nfs/dbraw/zinc/30/72/54/963307254.db2.gz OZGUOUCDMHEIMB-LJQANCHMSA-N 1 1 368.481 1.361 20 30 FDEDMO C#C[C@@H](NC(=O)N1CCC(CCC[N@H+](C)CCOC)CC1)[C@@H]1CCCO1 ZINC000773556517 963383696 /nfs/dbraw/zinc/38/36/96/963383696.db2.gz DFJRUYULLCJOPA-MOPGFXCFSA-N 1 1 365.518 1.947 20 30 FDEDMO N#Cc1nccnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)CC1 ZINC001177619524 963909868 /nfs/dbraw/zinc/90/98/68/963909868.db2.gz NNTCQHBWRYMDOA-KRWDZBQOSA-N 1 1 366.425 1.254 20 30 FDEDMO N#Cc1nccnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)CC1 ZINC001177619524 963909870 /nfs/dbraw/zinc/90/98/70/963909870.db2.gz NNTCQHBWRYMDOA-KRWDZBQOSA-N 1 1 366.425 1.254 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)C(C)(C)C1(C)C)C2 ZINC001110212376 963910053 /nfs/dbraw/zinc/91/00/53/963910053.db2.gz AKMQAEHZFQNUKL-WCVJEAGWSA-N 1 1 359.514 1.918 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)C(C)(C)C1(C)C)C2 ZINC001110212376 963910059 /nfs/dbraw/zinc/91/00/59/963910059.db2.gz AKMQAEHZFQNUKL-WCVJEAGWSA-N 1 1 359.514 1.918 20 30 FDEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC001177758532 963961133 /nfs/dbraw/zinc/96/11/33/963961133.db2.gz CBNSXVUFKHNKPP-DYVFJYSZSA-N 1 1 356.382 1.302 20 30 FDEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC001177758532 963961139 /nfs/dbraw/zinc/96/11/39/963961139.db2.gz CBNSXVUFKHNKPP-DYVFJYSZSA-N 1 1 356.382 1.302 20 30 FDEDMO C=CCCNCc1cn([C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001185943341 964207416 /nfs/dbraw/zinc/20/74/16/964207416.db2.gz RUUNKIKTLUTGAL-KBAYOESNSA-N 1 1 360.506 1.448 20 30 FDEDMO C=CCCNCc1cn([C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001185943341 964207425 /nfs/dbraw/zinc/20/74/25/964207425.db2.gz RUUNKIKTLUTGAL-KBAYOESNSA-N 1 1 360.506 1.448 20 30 FDEDMO C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2nccn2)C1 ZINC001186188441 964337172 /nfs/dbraw/zinc/33/71/72/964337172.db2.gz BAIQAKCNNXABHU-IEBWSBKVSA-N 1 1 369.444 1.662 20 30 FDEDMO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@]2(C)CCNC2=O)C1 ZINC001186196565 964345407 /nfs/dbraw/zinc/34/54/07/964345407.db2.gz NCIXORYFLBLTFC-HGHGUNKESA-N 1 1 371.456 1.507 20 30 FDEDMO C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001186203682 964351072 /nfs/dbraw/zinc/35/10/72/964351072.db2.gz QXWIEFHNQIMCBC-NVXWUHKLSA-N 1 1 362.449 1.592 20 30 FDEDMO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001110378765 964418229 /nfs/dbraw/zinc/41/82/29/964418229.db2.gz HDMRRZBFUFMARG-ZJPYXAASSA-N 1 1 361.486 1.312 20 30 FDEDMO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001110378765 964418240 /nfs/dbraw/zinc/41/82/40/964418240.db2.gz HDMRRZBFUFMARG-ZJPYXAASSA-N 1 1 361.486 1.312 20 30 FDEDMO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCC(F)(F)F ZINC001110379076 964419559 /nfs/dbraw/zinc/41/95/59/964419559.db2.gz VAKCNHBCKCUEEA-SYQHCUMBSA-N 1 1 350.381 1.614 20 30 FDEDMO C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3C[N@H+](CC)CC3(C)C)cc2C1=O ZINC001178861394 964535300 /nfs/dbraw/zinc/53/53/00/964535300.db2.gz XAVNXDLCDWGUSN-MRXNPFEDSA-N 1 1 355.438 1.929 20 30 FDEDMO N#CCSCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001186916962 964876384 /nfs/dbraw/zinc/87/63/84/964876384.db2.gz CLKLWLMRCWRVKI-DOTOQJQBSA-N 1 1 358.442 1.987 20 30 FDEDMO N#CCSCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001186916962 964876391 /nfs/dbraw/zinc/87/63/91/964876391.db2.gz CLKLWLMRCWRVKI-DOTOQJQBSA-N 1 1 358.442 1.987 20 30 FDEDMO CC(C)(C)CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 ZINC001186917203 964876521 /nfs/dbraw/zinc/87/65/21/964876521.db2.gz IPCJWNQWJGLARJ-LSDHHAIUSA-N 1 1 366.531 1.328 20 30 FDEDMO CC(C)(C)CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 ZINC001186917203 964876527 /nfs/dbraw/zinc/87/65/27/964876527.db2.gz IPCJWNQWJGLARJ-LSDHHAIUSA-N 1 1 366.531 1.328 20 30 FDEDMO COc1ccc(NC(=O)[C@@H]2C[C@@H]2C#N)cc1OCCC[NH+]1CCN(C)CC1 ZINC001186982494 964921209 /nfs/dbraw/zinc/92/12/09/964921209.db2.gz QMFGZJRRWDFBFB-NVXWUHKLSA-N 1 1 372.469 1.810 20 30 FDEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cn[nH]c3)[C@@H]2C1 ZINC001187010103 964927737 /nfs/dbraw/zinc/92/77/37/964927737.db2.gz SMLZJDCZCZYYMG-HLLBOEOZSA-N 1 1 359.474 1.369 20 30 FDEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOC)C2 ZINC001110232487 965001350 /nfs/dbraw/zinc/00/13/50/965001350.db2.gz OTTIBSLQYVAMQI-HZMVEIRTSA-N 1 1 351.491 1.558 20 30 FDEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOC)C2 ZINC001110232487 965001354 /nfs/dbraw/zinc/00/13/54/965001354.db2.gz OTTIBSLQYVAMQI-HZMVEIRTSA-N 1 1 351.491 1.558 20 30 FDEDMO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc2c1OCCO2 ZINC001110390508 965058323 /nfs/dbraw/zinc/05/83/23/965058323.db2.gz QLTRYGJLHFBTGR-ZACQAIPSSA-N 1 1 358.438 1.882 20 30 FDEDMO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc2c1OCCO2 ZINC001110390508 965058332 /nfs/dbraw/zinc/05/83/32/965058332.db2.gz QLTRYGJLHFBTGR-ZACQAIPSSA-N 1 1 358.438 1.882 20 30 FDEDMO C=CCCC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@H]21 ZINC001187240706 965116623 /nfs/dbraw/zinc/11/66/23/965116623.db2.gz XVEWOJQXZQUTKV-MELADBBJSA-N 1 1 350.381 1.425 20 30 FDEDMO C=CCOCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)Nc3ccccc3)C[C@H]21 ZINC001187280565 965159565 /nfs/dbraw/zinc/15/95/65/965159565.db2.gz KQQFNTIRYVNTTF-XYJFISCASA-N 1 1 357.454 1.749 20 30 FDEDMO C=CCOCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)Nc3ccccc3)C[C@H]21 ZINC001187280565 965159568 /nfs/dbraw/zinc/15/95/68/965159568.db2.gz KQQFNTIRYVNTTF-XYJFISCASA-N 1 1 357.454 1.749 20 30 FDEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCCc3ccsc3)C[C@H]21 ZINC001187335974 965207256 /nfs/dbraw/zinc/20/72/56/965207256.db2.gz ZXLXMCBVMFIQQE-CWRNSKLLSA-N 1 1 360.483 1.099 20 30 FDEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCCc3ccsc3)C[C@H]21 ZINC001187335974 965207271 /nfs/dbraw/zinc/20/72/71/965207271.db2.gz ZXLXMCBVMFIQQE-CWRNSKLLSA-N 1 1 360.483 1.099 20 30 FDEDMO C=CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc4nsnc43)C[C@H]21 ZINC001187320440 965242347 /nfs/dbraw/zinc/24/23/47/965242347.db2.gz UEXUPLZQPLDHCG-XJKSGUPXSA-N 1 1 358.467 1.927 20 30 FDEDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC(C)(C)S 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932792245 /nfs/dbraw/zinc/79/22/45/932792245.db2.gz GPUOIBIGXMVIHT-UHFFFAOYSA-N 1 1 367.471 1.163 20 30 FDEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000789029642 932918953 /nfs/dbraw/zinc/91/89/53/932918953.db2.gz AYQACULLRVKPOZ-KRWDZBQOSA-N 1 1 359.474 1.159 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(CCOC)nn2)C1 ZINC001086587320 933549294 /nfs/dbraw/zinc/54/92/94/933549294.db2.gz OSOGLCKQORSQHT-ZWKOTPCHSA-N 1 1 369.469 1.698 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC001113360192 933603725 /nfs/dbraw/zinc/60/37/25/933603725.db2.gz QHISOFFYSFNTCN-ZCNNSNEGSA-N 1 1 358.482 1.715 20 30 FDEDMO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc(N(C)C)cn2)C1 ZINC001086588193 933606550 /nfs/dbraw/zinc/60/65/50/933606550.db2.gz JJDWCAHYSRBKNK-PKOBYXMFSA-N 1 1 363.465 1.764 20 30 FDEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc(N(C)C)cn2)C1 ZINC001086588193 933606551 /nfs/dbraw/zinc/60/65/51/933606551.db2.gz JJDWCAHYSRBKNK-PKOBYXMFSA-N 1 1 363.465 1.764 20 30 FDEDMO C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001086590326 933654935 /nfs/dbraw/zinc/65/49/35/933654935.db2.gz XHIVGEDGWQJOEM-DLBZAZTESA-N 1 1 368.485 1.741 20 30 FDEDMO C#C[C@@H](CCC)NC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000791022962 933831380 /nfs/dbraw/zinc/83/13/80/933831380.db2.gz POJJJQAVIXOJGL-KRWDZBQOSA-N 1 1 358.486 1.918 20 30 FDEDMO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc3n2CCOC3)C1 ZINC001086593559 933864278 /nfs/dbraw/zinc/86/42/78/933864278.db2.gz DGDLKFVGHXCTJX-ZWKOTPCHSA-N 1 1 364.449 1.634 20 30 FDEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc3n2CCOC3)C1 ZINC001086593559 933864287 /nfs/dbraw/zinc/86/42/87/933864287.db2.gz DGDLKFVGHXCTJX-ZWKOTPCHSA-N 1 1 364.449 1.634 20 30 FDEDMO C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001086595236 933884181 /nfs/dbraw/zinc/88/41/81/933884181.db2.gz RTPDGBMFNVPTJS-GSEOLPGOSA-N 1 1 355.482 1.313 20 30 FDEDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000791259674 933933563 /nfs/dbraw/zinc/93/35/63/933933563.db2.gz MJDUPACZHWBKKO-CYBMUJFWSA-N 1 1 365.455 1.143 20 30 FDEDMO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)C1 ZINC001086601343 934125488 /nfs/dbraw/zinc/12/54/88/934125488.db2.gz QMGFJYLTPQXOKI-GBESFXJTSA-N 1 1 363.465 1.366 20 30 FDEDMO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)C1 ZINC001086601343 934125493 /nfs/dbraw/zinc/12/54/93/934125493.db2.gz QMGFJYLTPQXOKI-GBESFXJTSA-N 1 1 363.465 1.366 20 30 FDEDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000793901637 938334258 /nfs/dbraw/zinc/33/42/58/938334258.db2.gz NRNDGNQBLKNBBT-KBPBESRZSA-N 1 1 360.433 1.550 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001086619120 938354044 /nfs/dbraw/zinc/35/40/44/938354044.db2.gz ABYNEUYGEZCGFE-TXPKVOOTSA-N 1 1 351.454 1.680 20 30 FDEDMO C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001114293788 938390761 /nfs/dbraw/zinc/39/07/61/938390761.db2.gz QSIXKUPKXDUQDC-GJNTUIEKSA-N 1 1 369.465 1.255 20 30 FDEDMO C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001114293788 938390764 /nfs/dbraw/zinc/39/07/64/938390764.db2.gz QSIXKUPKXDUQDC-GJNTUIEKSA-N 1 1 369.465 1.255 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2ccc(C)c(C)c2)[C@@H](n2ccnn2)C1 ZINC001129411990 938407145 /nfs/dbraw/zinc/40/71/45/938407145.db2.gz HXYMDBAFTBJKCZ-MOPGFXCFSA-N 1 1 369.469 1.753 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)c(C)c2)[C@@H](n2ccnn2)C1 ZINC001129411990 938407146 /nfs/dbraw/zinc/40/71/46/938407146.db2.gz HXYMDBAFTBJKCZ-MOPGFXCFSA-N 1 1 369.469 1.753 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2ccc(CC)cc2)[C@@H](n2ccnn2)C1 ZINC001129412189 938407691 /nfs/dbraw/zinc/40/76/91/938407691.db2.gz MBZIJJJRPCENRX-MOPGFXCFSA-N 1 1 369.469 1.698 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC)cc2)[C@@H](n2ccnn2)C1 ZINC001129412189 938407692 /nfs/dbraw/zinc/40/76/92/938407692.db2.gz MBZIJJJRPCENRX-MOPGFXCFSA-N 1 1 369.469 1.698 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)CCc2ccc(OC)cc2)[C@@H](n2ccnn2)C1 ZINC001129417575 938409430 /nfs/dbraw/zinc/40/94/30/938409430.db2.gz GRVJYULESBVRBP-MOPGFXCFSA-N 1 1 367.453 1.284 20 30 FDEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)COc2cccc(CC)c2)[C@@H](n2ccnn2)C1 ZINC001129421951 938412084 /nfs/dbraw/zinc/41/20/84/938412084.db2.gz HUYLZEUNLNEMRD-MOPGFXCFSA-N 1 1 369.469 1.837 20 30 FDEDMO C=C[C@H](C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1)c1ccccc1 ZINC001129449351 938420024 /nfs/dbraw/zinc/42/00/24/938420024.db2.gz MBHNUYJRFHSBGV-KSZLIROESA-N 1 1 357.433 1.949 20 30 FDEDMO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@@H]1n1ccnn1 ZINC001129480761 938433800 /nfs/dbraw/zinc/43/38/00/938433800.db2.gz CKTODLLQZXPQON-NXHRZFHOSA-N 1 1 361.490 1.791 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)COCCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129491007 938442815 /nfs/dbraw/zinc/44/28/15/938442815.db2.gz ZRGBQRJRFIRQHH-MOPGFXCFSA-N 1 1 369.469 1.455 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)COCCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129491007 938442816 /nfs/dbraw/zinc/44/28/16/938442816.db2.gz ZRGBQRJRFIRQHH-MOPGFXCFSA-N 1 1 369.469 1.455 20 30 FDEDMO C=CCCC(=O)N1C[C@@H]([NH2+]Cc2cc(OC)ns2)[C@@H](n2ccnn2)C1 ZINC001129666830 938478295 /nfs/dbraw/zinc/47/82/95/938478295.db2.gz KGDIFICDFNRYGJ-KGLIPLIRSA-N 1 1 362.459 1.251 20 30 FDEDMO N#Cc1ccc(OC2CCN(C(=O)CC[NH+]3CCOCC3)CC2)c(F)c1 ZINC000804626437 938494972 /nfs/dbraw/zinc/49/49/72/938494972.db2.gz VPBAPSWBIHLKHF-UHFFFAOYSA-N 1 1 361.417 1.789 20 30 FDEDMO C=CCOCCCC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001129733101 938496539 /nfs/dbraw/zinc/49/65/39/938496539.db2.gz NZOWTASHYCYBAU-MSOLQXFVSA-N 1 1 370.457 1.198 20 30 FDEDMO C#CCCCCC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001129757172 938502252 /nfs/dbraw/zinc/50/22/52/938502252.db2.gz XWHFHRUGPWCBSL-MSOLQXFVSA-N 1 1 352.442 1.408 20 30 FDEDMO O=C(C#CC1CC1)N1C[C@@H]([NH2+]C/C(Cl)=C/Cl)[C@@H](n2ccnn2)C1 ZINC001129816928 938521046 /nfs/dbraw/zinc/52/10/46/938521046.db2.gz NUIDRDGCPOOPCW-SADRXWBLSA-N 1 1 354.241 1.352 20 30 FDEDMO CC(C)(C)C#CC(=O)N1C[C@@H]([NH2+]Cc2cncc(F)c2)[C@@H](n2ccnn2)C1 ZINC001129822165 938521875 /nfs/dbraw/zinc/52/18/75/938521875.db2.gz IGFDDMLGKQMWIC-SJORKVTESA-N 1 1 370.432 1.403 20 30 FDEDMO C[C@H]([NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1n1ccnn1)c1cnccn1 ZINC001129824752 938522755 /nfs/dbraw/zinc/52/27/55/938522755.db2.gz AOSXMDVXYGISAN-UAGQMJEPSA-N 1 1 367.457 1.220 20 30 FDEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001086625531 938530429 /nfs/dbraw/zinc/53/04/29/938530429.db2.gz HNNIZQWXSCPYRV-CEXWTWQISA-N 1 1 353.466 1.462 20 30 FDEDMO C=C(C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cn2)[C@@H](n2ccnn2)C1 ZINC001129884942 938539106 /nfs/dbraw/zinc/53/91/06/938539106.db2.gz WUYBHYLPPNKXJG-SJORKVTESA-N 1 1 358.421 1.710 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)COCC2CCCC2)C[C@@H]1n1ccnn1 ZINC001129896397 938557650 /nfs/dbraw/zinc/55/76/50/938557650.db2.gz YEPSXJKLOGBACG-CVEARBPZSA-N 1 1 367.881 1.579 20 30 FDEDMO C=CCCC1(C(=O)N2C[C@@H]([NH2+]Cc3cnc(C)o3)[C@@H](n3ccnn3)C2)CC1 ZINC001129998975 938606452 /nfs/dbraw/zinc/60/64/52/938606452.db2.gz CCUCQDZXTUYBAL-SJORKVTESA-N 1 1 370.457 1.863 20 30 FDEDMO C=CCCCC(=O)N1C[C@@H]([NH2+]Cc2cccc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001129986949 938610255 /nfs/dbraw/zinc/61/02/55/938610255.db2.gz RRVUZIVLZSEWPV-SJORKVTESA-N 1 1 370.457 1.580 20 30 FDEDMO C=CC[NH2+][C@@H]1CN(C(=O)c2cc(CCCCC)[nH]n2)C[C@@H]1n1ccnn1 ZINC001130040952 938627406 /nfs/dbraw/zinc/62/74/06/938627406.db2.gz VJRGMSNHPGBNAV-SJORKVTESA-N 1 1 357.462 1.575 20 30 FDEDMO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001130034423 938634606 /nfs/dbraw/zinc/63/46/06/938634606.db2.gz OWENCQHXOHDWTI-OIISXLGYSA-N 1 1 357.462 1.188 20 30 FDEDMO C=CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001130084080 938665875 /nfs/dbraw/zinc/66/58/75/938665875.db2.gz YXITYNBCWNRESK-CABCVRRESA-N 1 1 357.462 1.287 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2(CCOC)CCC2)C[C@@H]1n1ccnn1 ZINC001130104927 938685644 /nfs/dbraw/zinc/68/56/44/938685644.db2.gz BXQICXKSQXUYHL-CABCVRRESA-N 1 1 367.881 1.579 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(-c3ccoc3)[nH]n2)C[C@@H]1n1ccnn1 ZINC001130125405 938696323 /nfs/dbraw/zinc/69/63/23/938696323.db2.gz MBHZDJDORVCGBI-SJORKVTESA-N 1 1 367.413 1.493 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCSCC)n1 ZINC001130187891 938734485 /nfs/dbraw/zinc/73/44/85/938734485.db2.gz PBMGBKTUYMOJQF-KBPBESRZSA-N 1 1 367.519 1.602 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCSCC)n[nH]1 ZINC001130187891 938734487 /nfs/dbraw/zinc/73/44/87/938734487.db2.gz PBMGBKTUYMOJQF-KBPBESRZSA-N 1 1 367.519 1.602 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CSC(C)C)n1 ZINC001130190542 938735255 /nfs/dbraw/zinc/73/52/55/938735255.db2.gz FDRRQEVUXXEULZ-KBPBESRZSA-N 1 1 367.519 1.601 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CSC(C)C)n[nH]1 ZINC001130190542 938735256 /nfs/dbraw/zinc/73/52/56/938735256.db2.gz FDRRQEVUXXEULZ-KBPBESRZSA-N 1 1 367.519 1.601 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)CSC)n1 ZINC001130193071 938737483 /nfs/dbraw/zinc/73/74/83/938737483.db2.gz HGYPGXOBZYCDTP-AVGNSLFASA-N 1 1 353.492 1.068 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)CSC)n[nH]1 ZINC001130193071 938737485 /nfs/dbraw/zinc/73/74/85/938737485.db2.gz HGYPGXOBZYCDTP-AVGNSLFASA-N 1 1 353.492 1.068 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCOCC)n1 ZINC001130193195 938737719 /nfs/dbraw/zinc/73/77/19/938737719.db2.gz MBYTUUQLCQSTCF-GJZGRUSLSA-N 1 1 365.478 1.276 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCOCC)n[nH]1 ZINC001130193195 938737720 /nfs/dbraw/zinc/73/77/20/938737720.db2.gz MBYTUUQLCQSTCF-GJZGRUSLSA-N 1 1 365.478 1.276 20 30 FDEDMO C#CCCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CC)[nH]1 ZINC001130205463 938745935 /nfs/dbraw/zinc/74/59/35/938745935.db2.gz ZUBFJZPADOPZHK-HOTGVXAUSA-N 1 1 357.458 1.100 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)CCCC)n1 ZINC001130207746 938747004 /nfs/dbraw/zinc/74/70/04/938747004.db2.gz NVGVSVACOZBLRD-PMPSAXMXSA-N 1 1 361.490 1.733 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)CCCC)n[nH]1 ZINC001130207746 938747006 /nfs/dbraw/zinc/74/70/06/938747006.db2.gz NVGVSVACOZBLRD-PMPSAXMXSA-N 1 1 361.490 1.733 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)CCCC)[nH]1 ZINC001130207700 938747130 /nfs/dbraw/zinc/74/71/30/938747130.db2.gz MNNKICBHTNIQHJ-PMPSAXMXSA-N 1 1 361.490 1.733 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)n2cccc2)n1 ZINC001130200687 938754569 /nfs/dbraw/zinc/75/45/69/938754569.db2.gz RXTUMWYLAJEGRS-KKUMJFAQSA-N 1 1 358.446 1.132 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)n2cccc2)n[nH]1 ZINC001130200687 938754571 /nfs/dbraw/zinc/75/45/71/938754571.db2.gz RXTUMWYLAJEGRS-KKUMJFAQSA-N 1 1 358.446 1.132 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=CC(C)(C)C)[nH]1 ZINC001130202832 938755510 /nfs/dbraw/zinc/75/55/10/938755510.db2.gz LGWMTXMFXCOVHE-LADOHOGBSA-N 1 1 359.474 1.509 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC23CC3)n1 ZINC001130239895 938756106 /nfs/dbraw/zinc/75/61/06/938756106.db2.gz BUHWACFOZNIQPX-ZNMIVQPWSA-N 1 1 359.474 1.649 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC23CC3)n[nH]1 ZINC001130239895 938756107 /nfs/dbraw/zinc/75/61/07/938756107.db2.gz BUHWACFOZNIQPX-ZNMIVQPWSA-N 1 1 359.474 1.649 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccccc2)[nH]1 ZINC001130220735 938756245 /nfs/dbraw/zinc/75/62/45/938756245.db2.gz KDOHJUZYCYMRTL-IRXDYDNUSA-N 1 1 367.453 1.149 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C)c(C)n2)n1 ZINC001130222982 938757107 /nfs/dbraw/zinc/75/71/07/938757107.db2.gz KBMRLAIGNLKUQK-HOCLYGCPSA-N 1 1 370.457 1.395 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C)c(C)n2)n[nH]1 ZINC001130222982 938757108 /nfs/dbraw/zinc/75/71/08/938757108.db2.gz KBMRLAIGNLKUQK-HOCLYGCPSA-N 1 1 370.457 1.395 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CCF)CC2)n1 ZINC001130225211 938759535 /nfs/dbraw/zinc/75/95/35/938759535.db2.gz XRFSSRQFJHQYMM-STQMWFEESA-N 1 1 351.426 1.209 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(CCF)CC2)n[nH]1 ZINC001130225211 938759538 /nfs/dbraw/zinc/75/95/38/938759538.db2.gz XRFSSRQFJHQYMM-STQMWFEESA-N 1 1 351.426 1.209 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)n1 ZINC001130225156 938759685 /nfs/dbraw/zinc/75/96/85/938759685.db2.gz VQBUKQPJCJEPKC-MRNSRZSKSA-N 1 1 371.485 1.343 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)n[nH]1 ZINC001130225156 938759687 /nfs/dbraw/zinc/75/96/87/938759687.db2.gz VQBUKQPJCJEPKC-MRNSRZSKSA-N 1 1 371.485 1.343 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)CCC)n1 ZINC001130240081 938760248 /nfs/dbraw/zinc/76/02/48/938760248.db2.gz HQVVHUXELDCPQG-GJZGRUSLSA-N 1 1 361.490 1.733 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)(C)CCC)n[nH]1 ZINC001130240081 938760249 /nfs/dbraw/zinc/76/02/49/938760249.db2.gz HQVVHUXELDCPQG-GJZGRUSLSA-N 1 1 361.490 1.733 20 30 FDEDMO CC#CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n[nH]1 ZINC001130230555 938764305 /nfs/dbraw/zinc/76/43/05/938764305.db2.gz ZVZSLJJPYKGAPE-HOTGVXAUSA-N 1 1 361.490 1.733 20 30 FDEDMO CC#CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n1 ZINC001130230555 938764307 /nfs/dbraw/zinc/76/43/07/938764307.db2.gz ZVZSLJJPYKGAPE-HOTGVXAUSA-N 1 1 361.490 1.733 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccn(C)c2C)n1 ZINC001130232179 938764751 /nfs/dbraw/zinc/76/47/51/938764751.db2.gz BPLYJICVFPRKSO-GJZGRUSLSA-N 1 1 358.446 1.030 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccn(C)c2C)n[nH]1 ZINC001130232179 938764752 /nfs/dbraw/zinc/76/47/52/938764752.db2.gz BPLYJICVFPRKSO-GJZGRUSLSA-N 1 1 358.446 1.030 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@]23C[C@@H]2CCCC3)n1 ZINC001130240269 938767201 /nfs/dbraw/zinc/76/72/01/938767201.db2.gz LFWQSYOVDFAGCS-XLPNERPQSA-N 1 1 359.474 1.649 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@]23C[C@@H]2CCCC3)n[nH]1 ZINC001130240269 938767203 /nfs/dbraw/zinc/76/72/03/938767203.db2.gz LFWQSYOVDFAGCS-XLPNERPQSA-N 1 1 359.474 1.649 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC23CCC3)n1 ZINC001130240471 938768561 /nfs/dbraw/zinc/76/85/61/938768561.db2.gz QHWDLDPVJXWODW-ZNMIVQPWSA-N 1 1 359.474 1.649 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC23CCC3)n[nH]1 ZINC001130240471 938768562 /nfs/dbraw/zinc/76/85/62/938768562.db2.gz QHWDLDPVJXWODW-ZNMIVQPWSA-N 1 1 359.474 1.649 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)CC(C)C)n1 ZINC001130244465 938770616 /nfs/dbraw/zinc/77/06/16/938770616.db2.gz IWDXNIFLYADCSX-JYJNAYRXSA-N 1 1 361.490 1.589 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)CC(C)C)n[nH]1 ZINC001130244465 938770618 /nfs/dbraw/zinc/77/06/18/938770618.db2.gz IWDXNIFLYADCSX-JYJNAYRXSA-N 1 1 361.490 1.589 20 30 FDEDMO C=C(Cl)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCOC)CC1 ZINC001130274452 938786781 /nfs/dbraw/zinc/78/67/81/938786781.db2.gz OOFCMZHSEBQEMD-QAPCUYQASA-N 1 1 371.909 1.641 20 30 FDEDMO C=C(Cl)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C#CC2CC2)CC1 ZINC001130288464 938793430 /nfs/dbraw/zinc/79/34/30/938793430.db2.gz QSECEIBGHOSWBO-APWZRJJASA-N 1 1 363.889 1.628 20 30 FDEDMO C#CCN1CCN(C(=O)C[N@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)CC1 ZINC000805820139 938832708 /nfs/dbraw/zinc/83/27/08/938832708.db2.gz FZZHRVFAWRBDQF-MOPGFXCFSA-N 1 1 357.498 1.250 20 30 FDEDMO CON=C(C(=O)N1CC([N@@H+](C)Cc2ccccc2)C1)c1csc(N)n1 ZINC000822842833 945272020 /nfs/dbraw/zinc/27/20/20/945272020.db2.gz AVVHCXFJFDRTFE-UHFFFAOYSA-N 1 1 359.455 1.419 20 30 FDEDMO Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cn(C)cn2)s1 ZINC001130583957 939885147 /nfs/dbraw/zinc/88/51/47/939885147.db2.gz ZQTXGMLUFYKOQF-DOTOQJQBSA-N 1 1 371.510 1.929 20 30 FDEDMO CCn1ccc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cn(C)cn2)n1 ZINC001130590128 939896251 /nfs/dbraw/zinc/89/62/51/939896251.db2.gz ANGDPDPAXZHNGP-PKOBYXMFSA-N 1 1 368.485 1.380 20 30 FDEDMO CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3cncn3c2)C[C@H]1c1cn(C)cn1 ZINC001130628167 939925487 /nfs/dbraw/zinc/92/54/87/939925487.db2.gz CCBXKASUCXVZFB-PKOBYXMFSA-N 1 1 362.437 1.289 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)CCCCc2cn[nH]n2)C[C@H]1c1cn(C)cn1 ZINC001130635161 939937474 /nfs/dbraw/zinc/93/74/74/939937474.db2.gz LOGZYZNEAQKOIX-FUHWJXTLSA-N 1 1 371.489 1.411 20 30 FDEDMO NC(=O)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC001111678428 939948201 /nfs/dbraw/zinc/94/82/01/939948201.db2.gz DLEDJWJUHNJGMD-KXBFYZLASA-N 1 1 359.857 1.538 20 30 FDEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nccn2C)C1 ZINC001130657007 939961114 /nfs/dbraw/zinc/96/11/14/939961114.db2.gz VBOVAVFJKOPYEP-SOLBZPMBSA-N 1 1 370.501 1.840 20 30 FDEDMO C=C[C@@H](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001130656921 939961172 /nfs/dbraw/zinc/96/11/72/939961172.db2.gz SSBNUGZJEMJLLO-YQQAZPJKSA-N 1 1 371.489 1.235 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130675630 939973523 /nfs/dbraw/zinc/97/35/23/939973523.db2.gz ZDGVQEWMCONUOB-UHOSZYNNSA-N 1 1 359.518 1.448 20 30 FDEDMO C=C(Cl)CN[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1c1cn(C)cn1 ZINC001130717626 939998662 /nfs/dbraw/zinc/99/86/62/939998662.db2.gz NAQDKTRCQBVVMT-DOTOQJQBSA-N 1 1 367.925 1.789 20 30 FDEDMO C=C(Cl)CN[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130736771 940037685 /nfs/dbraw/zinc/03/76/85/940037685.db2.gz NQTWRIJLFMCDAT-GOEBONIOSA-N 1 1 353.898 1.397 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130731528 940044927 /nfs/dbraw/zinc/04/49/27/940044927.db2.gz IESJCJXKDKJIJW-PKOBYXMFSA-N 1 1 357.502 1.203 20 30 FDEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COC)n[nH]2)O1 ZINC001130753122 940061894 /nfs/dbraw/zinc/06/18/94/940061894.db2.gz ROHKXSMBNIHWTL-HZSPNIEDSA-N 1 1 351.451 1.232 20 30 FDEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCOC)n[nH]2)O1 ZINC001130754268 940065200 /nfs/dbraw/zinc/06/52/00/940065200.db2.gz BLXVSQUBLLVJFZ-QLFBSQMISA-N 1 1 365.478 1.622 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)on3)n[nH]2)O1 ZINC001130758101 940083202 /nfs/dbraw/zinc/08/32/02/940083202.db2.gz QJWKWIPFDSYLFJ-GXTWGEPZSA-N 1 1 360.418 1.417 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COC(C)C)n[nH]2)O1 ZINC001130765546 940096835 /nfs/dbraw/zinc/09/68/35/940096835.db2.gz XIURJBVSJRDTCL-LSDHHAIUSA-N 1 1 365.478 1.622 20 30 FDEDMO C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(C)=CC)n[nH]2)O1 ZINC001130772290 940111702 /nfs/dbraw/zinc/11/17/02/940111702.db2.gz GICRJPLPWXDPQQ-YDYWWVRFSA-N 1 1 363.462 1.399 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(C(F)F)CC3)n[nH]2)O1 ZINC001130785706 940120712 /nfs/dbraw/zinc/12/07/12/940120712.db2.gz XHRUXWOVEBANBT-NWDGAFQWSA-N 1 1 367.400 1.299 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(C)(C)C(C)C)n[nH]2)O1 ZINC001130785732 940120880 /nfs/dbraw/zinc/12/08/80/940120880.db2.gz YKDHKKAIDOFDLJ-LSDHHAIUSA-N 1 1 361.490 1.936 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C=Cc3ccc[nH]3)n[nH]2)O1 ZINC001130776605 940125422 /nfs/dbraw/zinc/12/54/22/940125422.db2.gz HNKSKHNSBYIDIZ-HPRJGHKQSA-N 1 1 370.457 1.848 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)sn3)n[nH]2)O1 ZINC001130778057 940131021 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359.495 1.250 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](OC)C3CC3)n[nH]2)O1 ZINC001130782798 940141957 /nfs/dbraw/zinc/14/19/57/940141957.db2.gz DSVQLRDUWCPVFA-LZWOXQAQSA-N 1 1 363.462 1.232 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC3(O)CCC3)n[nH]2)O1 ZINC001130782992 940142368 /nfs/dbraw/zinc/14/23/68/940142368.db2.gz JGLILGDIAFPJLE-UONOGXRCSA-N 1 1 363.462 1.112 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C4CC4)on3)n[nH]2)O1 ZINC001130793784 940144191 /nfs/dbraw/zinc/14/41/91/940144191.db2.gz AGFYHNIYABQNDV-GXTWGEPZSA-N 1 1 370.413 1.043 20 30 FDEDMO C#Cc1ccc(C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CC=C)O3)n2)cc1 ZINC001130794284 940145633 /nfs/dbraw/zinc/14/56/33/940145633.db2.gz PVOYKYRMUXVEEV-DLBZAZTESA-N 1 1 365.437 1.712 20 30 FDEDMO C=C[C@@H](CC)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1 ZINC001130796365 940149929 /nfs/dbraw/zinc/14/99/29/940149929.db2.gz NZZXQBGBBPKCIC-MELADBBJSA-N 1 1 353.442 1.802 20 30 FDEDMO 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ZINC000814225250 941592709 /nfs/dbraw/zinc/59/27/09/941592709.db2.gz REYOLPZIQGCDIM-HOTGVXAUSA-N 1 1 353.426 1.924 20 30 FDEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000815082143 941777772 /nfs/dbraw/zinc/77/77/72/941777772.db2.gz BFRNQAVPLLFZEZ-GFCCVEGCSA-N 1 1 356.875 1.897 20 30 FDEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1 ZINC000815083261 941778277 /nfs/dbraw/zinc/77/82/77/941778277.db2.gz USZWCBIWTDCAGU-UHFFFAOYSA-N 1 1 358.847 1.360 20 30 FDEDMO C[C@H](C#N)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000816492947 942223152 /nfs/dbraw/zinc/22/31/52/942223152.db2.gz KAMGDJDHAXGTTL-CABCVRRESA-N 1 1 352.479 1.841 20 30 FDEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@H]3CCCN(O)C3=O)cc2)C[C@@H](C)O1 ZINC000816755955 942336592 /nfs/dbraw/zinc/33/65/92/942336592.db2.gz MOTDOAUBIQLVCZ-CPUCHLNUSA-N 1 1 361.442 1.406 20 30 FDEDMO C#CCNC(=O)CC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]1C ZINC000817292238 942661120 /nfs/dbraw/zinc/66/11/20/942661120.db2.gz 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20 30 FDEDMO CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001195593820 971064168 /nfs/dbraw/zinc/06/41/68/971064168.db2.gz ANPQWOTVYNAICW-KZNAEPCWSA-N 1 1 355.523 1.227 20 30 FDEDMO CC#CCS(=O)(=O)c1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000821777045 944664615 /nfs/dbraw/zinc/66/46/15/944664615.db2.gz SREYEIDNIIMSOV-ALOPSCKCSA-N 1 1 360.479 1.839 20 30 FDEDMO COC(=O)c1ccc(C(=[NH2+])Nc2cn(CC(F)(F)F)c(=O)cn2)cc1 ZINC001170989174 945040062 /nfs/dbraw/zinc/04/00/62/945040062.db2.gz MNMCCLOTNGEUJI-UHFFFAOYSA-N 1 1 354.288 1.629 20 30 FDEDMO C#C[C@@H](NC(=O)N1CC[N@@H+](CCOC)[C@@H](CCC)C1)C1CCOCC1 ZINC000823172597 945516172 /nfs/dbraw/zinc/51/61/72/945516172.db2.gz IIDYIYJIIOCUMO-ZWKOTPCHSA-N 1 1 351.491 1.557 20 30 FDEDMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(S(=O)(=O)CCCC#N)C2)ccn1 ZINC000856539179 971218799 /nfs/dbraw/zinc/21/87/99/971218799.db2.gz JBWHCHOGXXLUIC-KRWDZBQOSA-N 1 1 366.487 1.620 20 30 FDEDMO N#Cc1ccccc1OCC[N@@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856540704 971220449 /nfs/dbraw/zinc/22/04/49/971220449.db2.gz XTKKOGWRIDWBJC-ZWKOTPCHSA-N 1 1 350.422 1.787 20 30 FDEDMO N#Cc1ccccc1OCC[N@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856540704 971220456 /nfs/dbraw/zinc/22/04/56/971220456.db2.gz XTKKOGWRIDWBJC-ZWKOTPCHSA-N 1 1 350.422 1.787 20 30 FDEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@H]1C ZINC001090769117 946420949 /nfs/dbraw/zinc/42/09/49/946420949.db2.gz WSKYODINJAGIRH-CSMYWGQOSA-N 1 1 359.474 1.505 20 30 FDEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C(C)(C)[C@H]21 ZINC001573281626 946678686 /nfs/dbraw/zinc/67/86/86/946678686.db2.gz ACZFRROETDEIFT-KBMXLJTQSA-N 1 1 367.457 1.437 20 30 FDEDMO C#CCCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573281975 946682173 /nfs/dbraw/zinc/68/21/73/946682173.db2.gz CPPRTNBYGUBIJO-HNNXBMFYSA-N 1 1 370.432 1.890 20 30 FDEDMO C#CCCCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573281975 946682177 /nfs/dbraw/zinc/68/21/77/946682177.db2.gz CPPRTNBYGUBIJO-HNNXBMFYSA-N 1 1 370.432 1.890 20 30 FDEDMO C#CCCCC(=O)N1CCC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001573284410 946744503 /nfs/dbraw/zinc/74/45/03/946744503.db2.gz AXPHYNLXDSLUIB-UHFFFAOYSA-N 1 1 370.432 1.844 20 30 FDEDMO C#CCCCC(=O)N1CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001573284410 946744510 /nfs/dbraw/zinc/74/45/10/946744510.db2.gz AXPHYNLXDSLUIB-UHFFFAOYSA-N 1 1 370.432 1.844 20 30 FDEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nn3cccnc13)C2 ZINC001110108827 946927837 /nfs/dbraw/zinc/92/78/37/946927837.db2.gz LFUZVNAXZAYUKY-PMPSAXMXSA-N 1 1 353.426 1.023 20 30 FDEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nn3cccnc13)C2 ZINC001110108827 946927841 /nfs/dbraw/zinc/92/78/41/946927841.db2.gz LFUZVNAXZAYUKY-PMPSAXMXSA-N 1 1 353.426 1.023 20 30 FDEDMO C[C@H](C#N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573562103 946970851 /nfs/dbraw/zinc/97/08/51/946970851.db2.gz QTUHYICMLLQWIZ-BXUZGUMPSA-N 1 1 357.393 1.198 20 30 FDEDMO C[C@H](C#N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573562103 946970865 /nfs/dbraw/zinc/97/08/65/946970865.db2.gz QTUHYICMLLQWIZ-BXUZGUMPSA-N 1 1 357.393 1.198 20 30 FDEDMO C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573294436 946988634 /nfs/dbraw/zinc/98/86/34/946988634.db2.gz BIQFUWARTVCLGQ-INIZCTEOSA-N 1 1 363.853 1.779 20 30 FDEDMO C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573294436 946988637 /nfs/dbraw/zinc/98/86/37/946988637.db2.gz BIQFUWARTVCLGQ-INIZCTEOSA-N 1 1 363.853 1.779 20 30 FDEDMO C[C@@H](C#N)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573565885 947019919 /nfs/dbraw/zinc/01/99/19/947019919.db2.gz XGWCPYSOYYXGJQ-ZFWWWQNUSA-N 1 1 353.430 1.307 20 30 FDEDMO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573566547 947026276 /nfs/dbraw/zinc/02/62/76/947026276.db2.gz DHDQQHHMSGWIQD-XJKSGUPXSA-N 1 1 353.430 1.449 20 30 FDEDMO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001573567364 947043894 /nfs/dbraw/zinc/04/38/94/947043894.db2.gz MEYXEYAHNPIBNN-COXVUDFISA-N 1 1 365.441 1.592 20 30 FDEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001573567759 947054944 /nfs/dbraw/zinc/05/49/44/947054944.db2.gz SCLALNDKSUAHPV-XQQFMLRXSA-N 1 1 371.470 1.653 20 30 FDEDMO C[C@@H](C#N)C(=O)N1CC[C@]2(CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001573567979 947061469 /nfs/dbraw/zinc/06/14/69/947061469.db2.gz VWQTWXHTQOILNM-LIRRHRJNSA-N 1 1 365.441 1.451 20 30 FDEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001195923443 971322523 /nfs/dbraw/zinc/32/25/23/971322523.db2.gz BJKLZFLZVQWDKU-NFAWXSAZSA-N 1 1 352.397 1.719 20 30 FDEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1O ZINC001195923625 971322968 /nfs/dbraw/zinc/32/29/68/971322968.db2.gz HYXKGXQMORVNDF-GPMSIDNRSA-N 1 1 350.434 1.968 20 30 FDEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1O ZINC001195923625 971322975 /nfs/dbraw/zinc/32/29/75/971322975.db2.gz HYXKGXQMORVNDF-GPMSIDNRSA-N 1 1 350.434 1.968 20 30 FDEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001195923584 971323125 /nfs/dbraw/zinc/32/31/25/971323125.db2.gz GLWOWVATPUIKJX-ZHALLVOQSA-N 1 1 350.434 1.968 20 30 FDEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001195923584 971323132 /nfs/dbraw/zinc/32/31/32/971323132.db2.gz GLWOWVATPUIKJX-ZHALLVOQSA-N 1 1 350.434 1.968 20 30 FDEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@@H]2C1 ZINC001573570332 947085510 /nfs/dbraw/zinc/08/55/10/947085510.db2.gz MSZXEVILHCISKI-BNOWGMLFSA-N 1 1 369.404 1.056 20 30 FDEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]2C1 ZINC001573570822 947093711 /nfs/dbraw/zinc/09/37/11/947093711.db2.gz UMXILFOJEKMHKX-XKQJLSEDSA-N 1 1 365.441 1.307 20 30 FDEDMO C[C@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001573572346 947110994 /nfs/dbraw/zinc/11/09/94/947110994.db2.gz GYXLCLBHWNUDJT-ODWCKFRGSA-N 1 1 352.402 1.037 20 30 FDEDMO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1(C)C ZINC001573572680 947115882 /nfs/dbraw/zinc/11/58/82/947115882.db2.gz JIRFPBWPRAESSZ-CJNGLKHVSA-N 1 1 367.457 1.743 20 30 FDEDMO C=CCCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccc(F)cc3)C[C@H]2O)CC1 ZINC001195932865 971331340 /nfs/dbraw/zinc/33/13/40/971331340.db2.gz YOGPXERQVYDGKM-KZNAEPCWSA-N 1 1 362.445 1.767 20 30 FDEDMO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(F)cc3)C[C@H]2O)CC1 ZINC001195932865 971331346 /nfs/dbraw/zinc/33/13/46/971331346.db2.gz YOGPXERQVYDGKM-KZNAEPCWSA-N 1 1 362.445 1.767 20 30 FDEDMO C[C@@H](C#N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1(C)C ZINC001573574012 947126978 /nfs/dbraw/zinc/12/69/78/947126978.db2.gz QGLPVOHAOHZOEG-SMDDNHRTSA-N 1 1 373.486 1.805 20 30 FDEDMO C[C@@H](C#N)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573575526 947138211 /nfs/dbraw/zinc/13/82/11/947138211.db2.gz ABRKBVNZSBASFB-JSGCOSHPSA-N 1 1 371.420 1.636 20 30 FDEDMO C[C@@H](C#N)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573575526 947138219 /nfs/dbraw/zinc/13/82/19/947138219.db2.gz ABRKBVNZSBASFB-JSGCOSHPSA-N 1 1 371.420 1.636 20 30 FDEDMO C[C@H](C#N)C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573584248 947216737 /nfs/dbraw/zinc/21/67/37/947216737.db2.gz RXKMUJZRZXRQGU-DGCLKSJQSA-N 1 1 357.393 1.104 20 30 FDEDMO N#Cc1ccc(CNC(=O)[C@H]2[C@@H](O)CC[N@@H+]2Cc2ccccc2)cc1F ZINC001143676118 947451963 /nfs/dbraw/zinc/45/19/63/947451963.db2.gz LZDBHSCGJJHAAM-RBUKOAKNSA-N 1 1 353.397 1.949 20 30 FDEDMO N#Cc1ccc(CNC(=O)[C@H]2[C@@H](O)CC[N@H+]2Cc2ccccc2)cc1F ZINC001143676118 947451972 /nfs/dbraw/zinc/45/19/72/947451972.db2.gz LZDBHSCGJJHAAM-RBUKOAKNSA-N 1 1 353.397 1.949 20 30 FDEDMO C=CCOCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573347066 947572270 /nfs/dbraw/zinc/57/22/70/947572270.db2.gz ACCKIRWHMIEFMD-AWEZNQCLSA-N 1 1 373.461 1.181 20 30 FDEDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@@H]1C ZINC000844023776 947578475 /nfs/dbraw/zinc/57/84/75/947578475.db2.gz WZGRJYQIFNZCSS-IYBDPMFKSA-N 1 1 367.453 1.925 20 30 FDEDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@@H]1C ZINC000844023776 947578484 /nfs/dbraw/zinc/57/84/84/947578484.db2.gz WZGRJYQIFNZCSS-IYBDPMFKSA-N 1 1 367.453 1.925 20 30 FDEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1c1ccc(OC)cc1 ZINC001090884816 947649798 /nfs/dbraw/zinc/64/97/98/947649798.db2.gz MMQFIXDLDCPNKT-DLBZAZTESA-N 1 1 355.442 1.516 20 30 FDEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3cc(C)nc3C1)C2 ZINC001110713770 971444235 /nfs/dbraw/zinc/44/42/35/971444235.db2.gz OOOLNLUFKYRVEI-TVFCKZIOSA-N 1 1 356.470 1.125 20 30 FDEDMO 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FDEDMO Cc1cnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2cnn(C)c2)o1 ZINC001086978197 952989936 /nfs/dbraw/zinc/98/99/36/952989936.db2.gz JMPQUHHLTCNSQF-FHLIZLRMSA-N 1 1 367.453 1.775 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2OCC[C@H]2CC)C[C@H]1c1cnn(C)c1 ZINC001086982799 952996271 /nfs/dbraw/zinc/99/62/71/952996271.db2.gz FNPMUIZAUFINME-XBVQOTNRSA-N 1 1 366.893 1.872 20 30 FDEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCCCOC)C[C@H]2O)cc1 ZINC001196726071 971887556 /nfs/dbraw/zinc/88/75/56/971887556.db2.gz NYFKGXIEMOWPDQ-RTBURBONSA-N 1 1 360.454 1.290 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@H]1c1cnn(C)c1 ZINC001086988303 953012242 /nfs/dbraw/zinc/01/22/42/953012242.db2.gz PLDQJMYGDMZSHQ-DZGCQCFKSA-N 1 1 351.813 1.838 20 30 FDEDMO C=CC(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC001086990483 953018048 /nfs/dbraw/zinc/01/80/48/953018048.db2.gz FFQBIDJRYPAMDJ-DLBZAZTESA-N 1 1 371.489 1.328 20 30 FDEDMO 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1 1 358.504 1.347 20 30 FDEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000599380132 553040528 /nfs/dbraw/zinc/04/05/28/553040528.db2.gz BUKDPXZRRJZVFQ-HRAATJIYSA-N 1 1 363.417 1.894 20 30 FDEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)CCOCC1 ZINC000599414839 553051763 /nfs/dbraw/zinc/05/17/63/553051763.db2.gz JRDCMERWWOJMML-UKRRQHHQSA-N 1 1 350.381 1.837 20 30 FDEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000599497461 553073917 /nfs/dbraw/zinc/07/39/17/553073917.db2.gz JFUUXFIAQDHBHM-MRXNPFEDSA-N 1 1 372.535 1.290 20 30 FDEDMO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000599546098 553084155 /nfs/dbraw/zinc/08/41/55/553084155.db2.gz WWSXPIKSDMGCHI-BXUZGUMPSA-N 1 1 357.332 1.522 20 30 FDEDMO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)n1 ZINC000599684740 553121527 /nfs/dbraw/zinc/12/15/27/553121527.db2.gz HKJXXULOHMYHQS-SWLSCSKDSA-N 1 1 361.789 1.961 20 30 FDEDMO CC(C)[NH+]1CCN(C2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)CC1 ZINC000599722551 553130473 /nfs/dbraw/zinc/13/04/73/553130473.db2.gz MMIJQKFDNOYNGG-UHFFFAOYSA-N 1 1 355.486 1.513 20 30 FDEDMO CC(C)(C)n1cc(C#N)cc1NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000599782716 553146488 /nfs/dbraw/zinc/14/64/88/553146488.db2.gz YCFCJMOUUZFXLY-AWEZNQCLSA-N 1 1 360.462 1.576 20 30 FDEDMO COc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c(F)cc1C#N ZINC000599813406 553154463 /nfs/dbraw/zinc/15/44/63/553154463.db2.gz HDRGZSQFXOIKRP-ZDUSSCGKSA-N 1 1 362.405 1.892 20 30 FDEDMO COc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(F)cc1C#N ZINC000599955717 553184843 /nfs/dbraw/zinc/18/48/43/553184843.db2.gz OJPZWYVJTUQRAS-LRDDRELGSA-N 1 1 374.416 1.587 20 30 FDEDMO COc1cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c(F)cc1C#N ZINC000599966197 553188115 /nfs/dbraw/zinc/18/81/15/553188115.db2.gz VWZZSPGSOXMVEW-XHDPSFHLSA-N 1 1 360.389 1.197 20 30 FDEDMO COc1cc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(F)cc1C#N ZINC000599980109 553191710 /nfs/dbraw/zinc/19/17/10/553191710.db2.gz UTWCWMCDQWXKFX-PBWFPOADSA-N 1 1 374.416 1.728 20 30 FDEDMO N#Cc1ccc(OCc2ccc(C(=O)NCC[N@@H+]3CC[C@@H](O)C3)o2)cc1 ZINC000600536745 553281958 /nfs/dbraw/zinc/28/19/58/553281958.db2.gz WOUCRFARDWFFRM-OAHLLOKOSA-N 1 1 355.394 1.527 20 30 FDEDMO C[C@](O)(C[C@@H](O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000600846262 553321564 /nfs/dbraw/zinc/32/15/64/553321564.db2.gz OTZPGBVWTIZSJB-RTWAWAEBSA-N 1 1 357.498 1.978 20 30 FDEDMO C[C@](O)(C[C@@H](O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000600846262 553321565 /nfs/dbraw/zinc/32/15/65/553321565.db2.gz OTZPGBVWTIZSJB-RTWAWAEBSA-N 1 1 357.498 1.978 20 30 FDEDMO C[C@](O)(C[C@@H](O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000600846262 553321566 /nfs/dbraw/zinc/32/15/66/553321566.db2.gz OTZPGBVWTIZSJB-RTWAWAEBSA-N 1 1 357.498 1.978 20 30 FDEDMO COCC[N@@H+](C)CCN1C[C@@H](Nc2nc3ncccc3cc2C#N)CC1=O ZINC000601178752 553356729 /nfs/dbraw/zinc/35/67/29/553356729.db2.gz YOGCEYDDKPPBJK-INIZCTEOSA-N 1 1 368.441 1.092 20 30 FDEDMO COCC[N@@H+](C)CCN1C[C@H](Nc2nc3ncccc3cc2C#N)CC1=O ZINC000601178753 553356815 /nfs/dbraw/zinc/35/68/15/553356815.db2.gz YOGCEYDDKPPBJK-MRXNPFEDSA-N 1 1 368.441 1.092 20 30 FDEDMO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)c1ccccc1CC#N ZINC000601404007 553396112 /nfs/dbraw/zinc/39/61/12/553396112.db2.gz DRVTWEKOENVSQI-OAHLLOKOSA-N 1 1 363.483 1.626 20 30 FDEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)c1ccccc1CC#N ZINC000601404007 553396113 /nfs/dbraw/zinc/39/61/13/553396113.db2.gz DRVTWEKOENVSQI-OAHLLOKOSA-N 1 1 363.483 1.626 20 30 FDEDMO N#CCCN1CCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000601572182 553437874 /nfs/dbraw/zinc/43/78/74/553437874.db2.gz PJMDCKRDHBRHQV-HXUWFJFHSA-N 1 1 369.513 1.792 20 30 FDEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCN(CCC#N)CC2)[C@H](C)C1 ZINC000601575806 553438450 /nfs/dbraw/zinc/43/84/50/553438450.db2.gz JYVXEYXWKXAQMB-QZTJIDSGSA-N 1 1 365.522 1.364 20 30 FDEDMO N#Cc1c(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[nH]nc1N1CCOCC1 ZINC000601739225 553466527 /nfs/dbraw/zinc/46/65/27/553466527.db2.gz GLUOURKTQGGTQS-INIZCTEOSA-N 1 1 372.473 1.854 20 30 FDEDMO C[NH+](C)Cc1ccsc1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N ZINC000601742616 553467765 /nfs/dbraw/zinc/46/77/65/553467765.db2.gz VWGTVHSWBSWPON-UHFFFAOYSA-N 1 1 360.443 1.493 20 30 FDEDMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCN(CCC#N)CC3)c2C1 ZINC000602078145 553514733 /nfs/dbraw/zinc/51/47/33/553514733.db2.gz NWLOAWPSDCGLJE-UHFFFAOYSA-N 1 1 369.469 1.409 20 30 FDEDMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCN(CCC#N)CC3)c2C1 ZINC000602078145 553514735 /nfs/dbraw/zinc/51/47/35/553514735.db2.gz NWLOAWPSDCGLJE-UHFFFAOYSA-N 1 1 369.469 1.409 20 30 FDEDMO CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)Cc2cccc(C#N)n2)CC1 ZINC000602665171 553620446 /nfs/dbraw/zinc/62/04/46/553620446.db2.gz RWERZVQKVSLUIZ-CQSZACIVSA-N 1 1 350.488 1.835 20 30 FDEDMO C[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H](C)N1CC#N ZINC000602848720 553650463 /nfs/dbraw/zinc/65/04/63/553650463.db2.gz HXKFKULQWGHQAR-IYBDPMFKSA-N 1 1 350.422 1.204 20 30 FDEDMO C[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H](C)N1CC#N ZINC000602848720 553650464 /nfs/dbraw/zinc/65/04/64/553650464.db2.gz HXKFKULQWGHQAR-IYBDPMFKSA-N 1 1 350.422 1.204 20 30 FDEDMO N#CC[C@]1(O)CCN(C[C@@H](C[N@H+]2CC[C@](O)(CC#N)C2)c2ccccc2)C1 ZINC000602850935 553650785 /nfs/dbraw/zinc/65/07/85/553650785.db2.gz INEGGMPKCVHTHI-MZADTFQBSA-N 1 1 368.481 1.471 20 30 FDEDMO N#CC[C@]1(O)CC[N@@H+](C[C@@H](CN2CC[C@](O)(CC#N)C2)c2ccccc2)C1 ZINC000602850935 553650786 /nfs/dbraw/zinc/65/07/86/553650786.db2.gz INEGGMPKCVHTHI-MZADTFQBSA-N 1 1 368.481 1.471 20 30 FDEDMO N#CC[C@]1(O)CC[N@H+](C[C@@H](CN2CC[C@](O)(CC#N)C2)c2ccccc2)C1 ZINC000602850935 553650788 /nfs/dbraw/zinc/65/07/88/553650788.db2.gz INEGGMPKCVHTHI-MZADTFQBSA-N 1 1 368.481 1.471 20 30 FDEDMO CNC(=O)c1cc(O[C@H]2CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C2)ccn1 ZINC000602865313 553654776 /nfs/dbraw/zinc/65/47/76/553654776.db2.gz SCWLMCQITSWQOT-HOCLYGCPSA-N 1 1 360.458 1.585 20 30 FDEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC=C(c3cnn(C)c3)C2)CC1 ZINC000602882575 553659128 /nfs/dbraw/zinc/65/91/28/553659128.db2.gz KTOPMDZHBHBCLP-IBGZPJMESA-N 1 1 370.501 1.202 20 30 FDEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC=C(c3cnn(C)c3)C2)CC1 ZINC000602882575 553659131 /nfs/dbraw/zinc/65/91/31/553659131.db2.gz KTOPMDZHBHBCLP-IBGZPJMESA-N 1 1 370.501 1.202 20 30 FDEDMO C[C@]1(CO)C[C@H](O)C[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000602905438 553665692 /nfs/dbraw/zinc/66/56/92/553665692.db2.gz GEKOIGYPDHGXKI-DOTOQJQBSA-N 1 1 351.834 1.404 20 30 FDEDMO C[C@]1(CO)C[C@H](O)C[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000602905438 553665694 /nfs/dbraw/zinc/66/56/94/553665694.db2.gz GEKOIGYPDHGXKI-DOTOQJQBSA-N 1 1 351.834 1.404 20 30 FDEDMO CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1)C(=O)OC ZINC000602913023 553667538 /nfs/dbraw/zinc/66/75/38/553667538.db2.gz QCDVZONOXZZSEV-LIRRHRJNSA-N 1 1 372.469 1.837 20 30 FDEDMO COc1cc(C#N)ccc1OCC[NH+]1CCN(c2nnc(C)n2C)CC1 ZINC000602943939 553675797 /nfs/dbraw/zinc/67/57/97/553675797.db2.gz RFKPKMNDYFFPIS-UHFFFAOYSA-N 1 1 356.430 1.205 20 30 FDEDMO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CCOc2ccccc2C#N)cn1 ZINC000602945158 553676418 /nfs/dbraw/zinc/67/64/18/553676418.db2.gz XUNKXERYVWWZPT-KRWDZBQOSA-N 1 1 353.426 1.565 20 30 FDEDMO C[C@@H](CCC#N)[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000602957964 553679562 /nfs/dbraw/zinc/67/95/62/553679562.db2.gz WHODBQWSWQFNBF-NSHDSACASA-N 1 1 371.226 1.895 20 30 FDEDMO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000602961326 553681188 /nfs/dbraw/zinc/68/11/88/553681188.db2.gz NNOSOBSLCUFJEE-RDTXWAMCSA-N 1 1 365.474 1.618 20 30 FDEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@](COC)(C(=O)OC(C)(C)C)C1 ZINC000602961317 553681286 /nfs/dbraw/zinc/68/12/86/553681286.db2.gz NKGLAHVIUAWZDE-GOSISDBHSA-N 1 1 353.463 1.429 20 30 FDEDMO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C[C@@H](C)N1CC#N ZINC000603102242 553708846 /nfs/dbraw/zinc/70/88/46/553708846.db2.gz ZAEHBHFUMONZLG-LMMKCTJWSA-N 1 1 355.486 1.738 20 30 FDEDMO COCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000603445311 553789832 /nfs/dbraw/zinc/78/98/32/553789832.db2.gz KBXGPBKOZJJDGB-HNNXBMFYSA-N 1 1 364.490 1.192 20 30 FDEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000607193545 554131998 /nfs/dbraw/zinc/13/19/98/554131998.db2.gz XFTZDNOVYMIFFT-WBVHZDCISA-N 1 1 353.484 1.521 20 30 FDEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000607193545 554132003 /nfs/dbraw/zinc/13/20/03/554132003.db2.gz XFTZDNOVYMIFFT-WBVHZDCISA-N 1 1 353.484 1.521 20 30 FDEDMO C[C@@H](CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[N@@H+](C)C1CC1 ZINC000609213312 554350150 /nfs/dbraw/zinc/35/01/50/554350150.db2.gz ULHLEUNPAZGKKF-ZDUSSCGKSA-N 1 1 372.473 1.738 20 30 FDEDMO Cc1c(C(=O)NC2(C#N)CC[NH+](C)CC2)sc2nc3n(c(=O)c12)CCC3 ZINC000609460089 554379017 /nfs/dbraw/zinc/37/90/17/554379017.db2.gz QVLLLGREGBORNQ-UHFFFAOYSA-N 1 1 371.466 1.430 20 30 FDEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc3ccccc3n2CC#N)CC1 ZINC000609462552 554379825 /nfs/dbraw/zinc/37/98/25/554379825.db2.gz CQXLMQXDCZJXOJ-UHFFFAOYSA-N 1 1 367.453 1.447 20 30 FDEDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000609525823 554387347 /nfs/dbraw/zinc/38/73/47/554387347.db2.gz LAKNSXIWLJWKIT-FQEVSTJZSA-N 1 1 369.513 1.623 20 30 FDEDMO C[NH+]1CCN([C@H](CNS(=O)(=O)CCCC#N)c2cccs2)CC1 ZINC000609541873 554390501 /nfs/dbraw/zinc/39/05/01/554390501.db2.gz FEOZAOFRLIXLTQ-CQSZACIVSA-N 1 1 356.517 1.260 20 30 FDEDMO C[C@@H](CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)CN1CC[NH+](C)CC1 ZINC000609623888 554404149 /nfs/dbraw/zinc/40/41/49/554404149.db2.gz FSLKZICNJAGYOS-PXNSSMCTSA-N 1 1 369.513 1.527 20 30 FDEDMO Cc1nnc([C@@H]2CCC[N@@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)[nH]1 ZINC000610764358 554559540 /nfs/dbraw/zinc/55/95/40/554559540.db2.gz NYSFMWCYKJACNO-SJORKVTESA-N 1 1 355.442 1.799 20 30 FDEDMO Cc1n[nH]c([C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)n1 ZINC000610764358 554559541 /nfs/dbraw/zinc/55/95/41/554559541.db2.gz NYSFMWCYKJACNO-SJORKVTESA-N 1 1 355.442 1.799 20 30 FDEDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)n1 ZINC000610764358 554559543 /nfs/dbraw/zinc/55/95/43/554559543.db2.gz NYSFMWCYKJACNO-SJORKVTESA-N 1 1 355.442 1.799 20 30 FDEDMO Cc1nc([C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)n[nH]1 ZINC000610764358 554559544 /nfs/dbraw/zinc/55/95/44/554559544.db2.gz NYSFMWCYKJACNO-SJORKVTESA-N 1 1 355.442 1.799 20 30 FDEDMO Cc1nc([C@@H]2CCC[N@@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)n[nH]1 ZINC000610764358 554559546 /nfs/dbraw/zinc/55/95/46/554559546.db2.gz NYSFMWCYKJACNO-SJORKVTESA-N 1 1 355.442 1.799 20 30 FDEDMO COC(=O)C[C@H]1CSCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610781380 554561606 /nfs/dbraw/zinc/56/16/06/554561606.db2.gz RCMOWZKARJDTOL-JKSUJKDBSA-N 1 1 364.467 1.473 20 30 FDEDMO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000610901075 554578412 /nfs/dbraw/zinc/57/84/12/554578412.db2.gz ZLPJTECSDUUPOA-KBXCAEBGSA-N 1 1 361.442 1.561 20 30 FDEDMO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 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CMOUKDZTDABCCS-MSOLQXFVSA-N 1 1 358.490 1.212 20 30 FDEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCc3ccc(O)cc3CC2)CC1 ZINC000611372543 554629225 /nfs/dbraw/zinc/62/92/25/554629225.db2.gz HTLCCFLZGHKWTB-HXUWFJFHSA-N 1 1 370.497 1.485 20 30 FDEDMO C[C@H]1COCCC[N@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611431153 554632762 /nfs/dbraw/zinc/63/27/62/554632762.db2.gz VQCXVKSENQQDGE-QFBILLFUSA-N 1 1 374.460 1.645 20 30 FDEDMO COC[C@H]1CCC[N@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611430099 554632977 /nfs/dbraw/zinc/63/29/77/554632977.db2.gz ZJAYUXQVMUYOLJ-RTBURBONSA-N 1 1 374.460 1.645 20 30 FDEDMO COCC(=O)NC1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000611515380 554640364 /nfs/dbraw/zinc/64/03/64/554640364.db2.gz WPOAYRRHIALMCD-GOSISDBHSA-N 1 1 370.453 1.281 20 30 FDEDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)C[C@@H]1C ZINC000612246666 554753686 /nfs/dbraw/zinc/75/36/86/554753686.db2.gz NVYSITBAMWPSIY-AWEZNQCLSA-N 1 1 374.441 1.075 20 30 FDEDMO 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840708204 /nfs/dbraw/zinc/70/82/04/840708204.db2.gz QUGFBKCNRBHNAL-UHFFFAOYSA-N 1 1 351.414 1.891 20 30 FDEDMO COCC[N@H+](CCC(=O)OC(C)(C)C)Cc1cnc2c(C#N)cnn2c1 ZINC000898173678 840854072 /nfs/dbraw/zinc/85/40/72/840854072.db2.gz SGCZHDCVHFGXFU-UHFFFAOYSA-N 1 1 359.430 1.781 20 30 FDEDMO COCC[N@@H+](CCC(=O)OC(C)(C)C)Cc1cnc2c(C#N)cnn2c1 ZINC000898173678 840854082 /nfs/dbraw/zinc/85/40/82/840854082.db2.gz SGCZHDCVHFGXFU-UHFFFAOYSA-N 1 1 359.430 1.781 20 30 FDEDMO N#Cc1cccc(C[NH+]2CCC(NC(=O)C3CN([C@@H]4CCOC4)C3)CC2)c1 ZINC000898296010 840951731 /nfs/dbraw/zinc/95/17/31/840951731.db2.gz DOJQPCYQMDAPBU-HXUWFJFHSA-N 1 1 368.481 1.360 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3n[nH]c4c3CCCC4)[C@H]2C)C1=O ZINC001088698156 841705807 /nfs/dbraw/zinc/70/58/07/841705807.db2.gz GFKNZYOSBQHQOL-UKPHBRMFSA-N 1 1 371.485 1.268 20 30 FDEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3n[nH]c4c3CCCC4)[C@H]2C)C1=O ZINC001088698156 841705818 /nfs/dbraw/zinc/70/58/18/841705818.db2.gz GFKNZYOSBQHQOL-UKPHBRMFSA-N 1 1 371.485 1.268 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cccnc3C3CC3)[C@H]2C)C1=O ZINC001088705108 842044561 /nfs/dbraw/zinc/04/45/61/842044561.db2.gz WUBAVZPDKXQKBG-FHLIZLRMSA-N 1 1 368.481 1.939 20 30 FDEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cccnc3C3CC3)[C@H]2C)C1=O ZINC001088705108 842044579 /nfs/dbraw/zinc/04/45/79/842044579.db2.gz WUBAVZPDKXQKBG-FHLIZLRMSA-N 1 1 368.481 1.939 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001060036232 842452776 /nfs/dbraw/zinc/45/27/76/842452776.db2.gz YEIZZKYQKYMVDH-KURKYZTESA-N 1 1 365.518 1.664 20 30 FDEDMO CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc(C4CC4)[nH]n3)[C@H]2C(C)C)C[C@H]1O ZINC001105655306 842483364 /nfs/dbraw/zinc/48/33/64/842483364.db2.gz HIUVTWIRILHESH-WERVVEIQSA-N 1 1 370.497 1.890 20 30 FDEDMO CC(=O)N1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001088720489 842505520 /nfs/dbraw/zinc/50/55/20/842505520.db2.gz MZZOGFFWQQVBQH-QMMLZNLJSA-N 1 1 367.493 1.876 20 30 FDEDMO CC(=O)N1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001088720489 842505530 /nfs/dbraw/zinc/50/55/30/842505530.db2.gz MZZOGFFWQQVBQH-QMMLZNLJSA-N 1 1 367.493 1.876 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CC)cc2)C[C@@H]1O ZINC001083470905 842654652 /nfs/dbraw/zinc/65/46/52/842654652.db2.gz UWRLCDQULUCADI-ZRNYENFQSA-N 1 1 358.482 1.892 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccn4ccnc4c3)[C@H]2C)C1=O ZINC001088742708 842726543 /nfs/dbraw/zinc/72/65/43/842726543.db2.gz IFDAMMBUYQBUEC-PVAVHDDUSA-N 1 1 367.453 1.314 20 30 FDEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccn4ccnc4c3)[C@H]2C)C1=O ZINC001088742708 842726550 /nfs/dbraw/zinc/72/65/50/842726550.db2.gz IFDAMMBUYQBUEC-PVAVHDDUSA-N 1 1 367.453 1.314 20 30 FDEDMO CN1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)CC1=O ZINC001075960291 842848128 /nfs/dbraw/zinc/84/81/28/842848128.db2.gz ZBSABKRMPSVKNA-SLFFLAALSA-N 1 1 365.477 1.439 20 30 FDEDMO CN1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)CC1=O ZINC001075960291 842848134 /nfs/dbraw/zinc/84/81/34/842848134.db2.gz ZBSABKRMPSVKNA-SLFFLAALSA-N 1 1 365.477 1.439 20 30 FDEDMO Cc1cncn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H]1C ZINC001088749704 842885045 /nfs/dbraw/zinc/88/50/45/842885045.db2.gz KGJJZCCBJYWCQV-APWZRJJASA-N 1 1 367.453 1.873 20 30 FDEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)C3(C4CC4)CCOCC3)[C@@H](O)C2)c1 ZINC001083669358 861366794 /nfs/dbraw/zinc/36/67/94/861366794.db2.gz FJAZFVNBGLNRCD-MOPGFXCFSA-N 1 1 369.465 1.426 20 30 FDEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)C3(C4CC4)CCOCC3)[C@@H](O)C2)c1 ZINC001083669358 861366805 /nfs/dbraw/zinc/36/68/05/861366805.db2.gz FJAZFVNBGLNRCD-MOPGFXCFSA-N 1 1 369.465 1.426 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC(=O)NC4)[C@@H]3C2)cc1F ZINC001075977504 843149313 /nfs/dbraw/zinc/14/93/13/843149313.db2.gz WJRCSDRGCLGLJD-XYJFISCASA-N 1 1 370.428 1.256 20 30 FDEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC(=O)NC4)[C@@H]3C2)cc1F ZINC001075977504 843149317 /nfs/dbraw/zinc/14/93/17/843149317.db2.gz WJRCSDRGCLGLJD-XYJFISCASA-N 1 1 370.428 1.256 20 30 FDEDMO N#C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000461775357 843150346 /nfs/dbraw/zinc/15/03/46/843150346.db2.gz ISOPULVLYUMSMR-SJLPKXTDSA-N 1 1 370.453 1.308 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)NC4)[C@@H]3C2)cc1 ZINC001075978608 843190500 /nfs/dbraw/zinc/19/05/00/843190500.db2.gz SRVPCDYXDYUFRQ-FGTMMUONSA-N 1 1 352.438 1.117 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3nccc4occc43)[C@H]2C)C1=O ZINC001088763182 843475981 /nfs/dbraw/zinc/47/59/81/843475981.db2.gz SLQHQFNRRSBDEX-KBMXLJTQSA-N 1 1 368.437 1.807 20 30 FDEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3nccc4occc43)[C@H]2C)C1=O ZINC001088763182 843475985 /nfs/dbraw/zinc/47/59/85/843475985.db2.gz SLQHQFNRRSBDEX-KBMXLJTQSA-N 1 1 368.437 1.807 20 30 FDEDMO COc1nc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3OC)[C@@H]2C)co1 ZINC001088775378 843719991 /nfs/dbraw/zinc/71/99/91/843719991.db2.gz RCBHBSPMRVFXGG-DOMZBBRYSA-N 1 1 370.409 1.956 20 30 FDEDMO COc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3OC)[C@@H]2C)co1 ZINC001088775378 843719994 /nfs/dbraw/zinc/71/99/94/843719994.db2.gz RCBHBSPMRVFXGG-DOMZBBRYSA-N 1 1 370.409 1.956 20 30 FDEDMO Cc1nc[nH]c(=O)c1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088807992 844880549 /nfs/dbraw/zinc/88/05/49/844880549.db2.gz KMQKVGOMXQOUSO-WBMJQRKESA-N 1 1 369.400 1.894 20 30 FDEDMO Cc1nc[nH]c(=O)c1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088807992 844880556 /nfs/dbraw/zinc/88/05/56/844880556.db2.gz KMQKVGOMXQOUSO-WBMJQRKESA-N 1 1 369.400 1.894 20 30 FDEDMO C#CC1(O)CCN(C(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000899113047 845804269 /nfs/dbraw/zinc/80/42/69/845804269.db2.gz YHDJTVSUBADZGG-IRXDYDNUSA-N 1 1 356.466 1.896 20 30 FDEDMO C=CCNC(=O)CNC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000899129624 845835012 /nfs/dbraw/zinc/83/50/12/845835012.db2.gz ZLIQJCTVDKKIJW-CEXWTWQISA-N 1 1 370.497 1.889 20 30 FDEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001076046931 847151922 /nfs/dbraw/zinc/15/19/22/847151922.db2.gz SYTQMFZITGKOBB-PKOBYXMFSA-N 1 1 367.428 1.935 20 30 FDEDMO CCn1cc(CC(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)nn1 ZINC001076076927 847195725 /nfs/dbraw/zinc/19/57/25/847195725.db2.gz PDOLTLGLOIKJKC-AZUAARDMSA-N 1 1 363.465 1.425 20 30 FDEDMO CCn1cc(CC(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)nn1 ZINC001076076927 847195729 /nfs/dbraw/zinc/19/57/29/847195729.db2.gz PDOLTLGLOIKJKC-AZUAARDMSA-N 1 1 363.465 1.425 20 30 FDEDMO Cc1noc(CCC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)n1 ZINC001076109410 847306412 /nfs/dbraw/zinc/30/64/12/847306412.db2.gz HYEQSQQHDUEVMN-XJKSGUPXSA-N 1 1 371.466 1.977 20 30 FDEDMO Cc1noc(CCC(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)n1 ZINC001076109410 847306420 /nfs/dbraw/zinc/30/64/20/847306420.db2.gz HYEQSQQHDUEVMN-XJKSGUPXSA-N 1 1 371.466 1.977 20 30 FDEDMO Cn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)[nH]c1=O ZINC001076207600 847561840 /nfs/dbraw/zinc/56/18/40/847561840.db2.gz GNOHLXASZYONTI-WMLDXEAASA-N 1 1 369.400 1.483 20 30 FDEDMO Cn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)[nH]c1=O ZINC001076207600 847561847 /nfs/dbraw/zinc/56/18/47/847561847.db2.gz GNOHLXASZYONTI-WMLDXEAASA-N 1 1 369.400 1.483 20 30 FDEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCN(C(C)C)C4=O)C[C@H]32)c1 ZINC001076223088 847591039 /nfs/dbraw/zinc/59/10/39/847591039.db2.gz HMZAZSXGKNEDBY-YTQUADARSA-N 1 1 366.465 1.219 20 30 FDEDMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC001076246965 847651628 /nfs/dbraw/zinc/65/16/28/847651628.db2.gz RYULYBBTCHCCOJ-ZSYWTGECSA-N 1 1 366.465 1.315 20 30 FDEDMO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001076242734 847667890 /nfs/dbraw/zinc/66/78/90/847667890.db2.gz PTDWGZFEHFLKKO-FFZOFVMBSA-N 1 1 352.482 1.933 20 30 FDEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001076242734 847667892 /nfs/dbraw/zinc/66/78/92/847667892.db2.gz PTDWGZFEHFLKKO-FFZOFVMBSA-N 1 1 352.482 1.933 20 30 FDEDMO Cc1ccn(CC(=O)N2CC[C@H]3C[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)n1 ZINC001076259518 847708637 /nfs/dbraw/zinc/70/86/37/847708637.db2.gz SACHYHQHDSYKBS-QFBILLFUSA-N 1 1 367.428 1.935 20 30 FDEDMO Cc1ccn(CC(=O)N2CC[C@H]3C[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)n1 ZINC001076259518 847708642 /nfs/dbraw/zinc/70/86/42/847708642.db2.gz SACHYHQHDSYKBS-QFBILLFUSA-N 1 1 367.428 1.935 20 30 FDEDMO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000482355169 847757740 /nfs/dbraw/zinc/75/77/40/847757740.db2.gz FBYGLEOGMLWPPE-GFCCVEGCSA-N 1 1 373.438 1.325 20 30 FDEDMO Cc1ccnn1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001076305796 847817297 /nfs/dbraw/zinc/81/72/97/847817297.db2.gz RQHFGGTUQNOOMW-WMLDXEAASA-N 1 1 355.467 1.858 20 30 FDEDMO Cc1ccnn1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001076305796 847817305 /nfs/dbraw/zinc/81/73/05/847817305.db2.gz RQHFGGTUQNOOMW-WMLDXEAASA-N 1 1 355.467 1.858 20 30 FDEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4cncc(C)c4)C[C@H]32)nn1 ZINC001076334852 847878422 /nfs/dbraw/zinc/87/84/22/847878422.db2.gz NGPLRWMCTXJIBG-FUHWJXTLSA-N 1 1 352.442 1.514 20 30 FDEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)nn1 ZINC001076336081 847881273 /nfs/dbraw/zinc/88/12/73/847881273.db2.gz JKWTZRKHANPATP-SUMWQHHRSA-N 1 1 368.466 1.744 20 30 FDEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)nn1 ZINC001076336081 847881282 /nfs/dbraw/zinc/88/12/82/847881282.db2.gz JKWTZRKHANPATP-SUMWQHHRSA-N 1 1 368.466 1.744 20 30 FDEDMO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCN(C(=O)C[C@H]4CCC(=O)N4)[C@@H]3C2)c1 ZINC001076355010 847954741 /nfs/dbraw/zinc/95/47/41/847954741.db2.gz SJXURHOGQBFAIH-YXJHDRRASA-N 1 1 370.428 1.399 20 30 FDEDMO 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SMIFSVVULYWWHQ-XJKCOSOUSA-N 1 1 360.483 1.425 20 30 FDEDMO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2C)C1 ZINC001080745843 906109063 /nfs/dbraw/zinc/10/90/63/906109063.db2.gz SMIFSVVULYWWHQ-XJKCOSOUSA-N 1 1 360.483 1.425 20 30 FDEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccc4n[nH]nc4c3)CCC[C@@H]12 ZINC001107629964 906118412 /nfs/dbraw/zinc/11/84/12/906118412.db2.gz RCKZBPQSYZIEHE-UYAOXDASSA-N 1 1 367.453 1.582 20 30 FDEDMO COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4[nH]nnc4c3)CCC[C@@H]12 ZINC001107629964 906118436 /nfs/dbraw/zinc/11/84/36/906118436.db2.gz RCKZBPQSYZIEHE-UYAOXDASSA-N 1 1 367.453 1.582 20 30 FDEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccc4[nH]nnc4c3)CCC[C@@H]12 ZINC001107629964 906118446 /nfs/dbraw/zinc/11/84/46/906118446.db2.gz RCKZBPQSYZIEHE-UYAOXDASSA-N 1 1 367.453 1.582 20 30 FDEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@]34C[C@H]3CCCC4)C2)cc1 ZINC001077644552 906132277 /nfs/dbraw/zinc/13/22/77/906132277.db2.gz XOFWIMZUMDCMBL-XLBJILASSA-N 1 1 369.465 1.831 20 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C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3F)C[C@H]2C)cn1 ZINC001080801748 906275732 /nfs/dbraw/zinc/27/57/32/906275732.db2.gz HRWIKIWUIJPJKF-JSNMRZPZSA-N 1 1 367.424 1.986 20 30 FDEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1C ZINC001080805253 906284547 /nfs/dbraw/zinc/28/45/47/906284547.db2.gz ITYUHCXYQAWSAV-CRAIPNDOSA-N 1 1 350.422 1.739 20 30 FDEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1C ZINC001080805253 906284569 /nfs/dbraw/zinc/28/45/69/906284569.db2.gz ITYUHCXYQAWSAV-CRAIPNDOSA-N 1 1 350.422 1.739 20 30 FDEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)cc(C)c3)C[C@H]2OC)nn1 ZINC001082213220 906298449 /nfs/dbraw/zinc/29/84/49/906298449.db2.gz QJEOIEOGZZTQHF-IEBWSBKVSA-N 1 1 369.469 1.710 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC[C@@H](C)C3)C[C@H]2C)cn1 ZINC001080809222 906299967 /nfs/dbraw/zinc/29/99/67/906299967.db2.gz HGFJRIRQEODCSE-GPMSIDNRSA-N 1 1 368.481 1.372 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC[C@@H](C)C3)C[C@H]2C)cn1 ZINC001080809222 906299985 /nfs/dbraw/zinc/29/99/85/906299985.db2.gz HGFJRIRQEODCSE-GPMSIDNRSA-N 1 1 368.481 1.372 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCn3c(C)csc3=O)C[C@H]2C)cn1 ZINC001080809105 906301193 /nfs/dbraw/zinc/30/11/93/906301193.db2.gz BQATZHXZDJHHTB-CXAGYDPISA-N 1 1 370.478 1.345 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCn3c(C)csc3=O)C[C@H]2C)cn1 ZINC001080809105 906301200 /nfs/dbraw/zinc/30/12/00/906301200.db2.gz BQATZHXZDJHHTB-CXAGYDPISA-N 1 1 370.478 1.345 20 30 FDEDMO C[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787764 906316501 /nfs/dbraw/zinc/31/65/01/906316501.db2.gz QTXJBEZVFDGMHR-VQIMIIECSA-N 1 1 368.481 1.621 20 30 FDEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ncccc3Cl)C2)C1=O ZINC001080817912 906384592 /nfs/dbraw/zinc/38/45/92/906384592.db2.gz QARNTVIXPRFZKE-YUELXQCFSA-N 1 1 362.861 1.572 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ncccc3Cl)C2)C1=O ZINC001080817912 906384614 /nfs/dbraw/zinc/38/46/14/906384614.db2.gz QARNTVIXPRFZKE-YUELXQCFSA-N 1 1 362.861 1.572 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cncc(C)c2)C[C@H]1OC ZINC001082226066 906418983 /nfs/dbraw/zinc/41/89/83/906418983.db2.gz LOKBBYHTDUYBPX-MANSERQUSA-N 1 1 359.470 1.687 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cncc(C)c2)C[C@H]1OC ZINC001082226066 906419013 /nfs/dbraw/zinc/41/90/13/906419013.db2.gz LOKBBYHTDUYBPX-MANSERQUSA-N 1 1 359.470 1.687 20 30 FDEDMO COc1c(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)cnn1C ZINC001080857467 906467938 /nfs/dbraw/zinc/46/79/38/906467938.db2.gz VNMUEWLHTWQGCT-CRAIPNDOSA-N 1 1 352.438 1.531 20 30 FDEDMO COc1c(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C)cnn1C ZINC001080857467 906467947 /nfs/dbraw/zinc/46/79/47/906467947.db2.gz VNMUEWLHTWQGCT-CRAIPNDOSA-N 1 1 352.438 1.531 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001082292178 906542654 /nfs/dbraw/zinc/54/26/54/906542654.db2.gz ZZHGIERJMUBZAK-BBWFWOEESA-N 1 1 351.491 1.417 20 30 FDEDMO CCc1c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)ccn1C ZINC001077680542 906667136 /nfs/dbraw/zinc/66/71/36/906667136.db2.gz MJCZORZZCUYWSE-IEBWSBKVSA-N 1 1 352.438 1.434 20 30 FDEDMO CCc1c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)ccn1C ZINC001077680542 906667147 /nfs/dbraw/zinc/66/71/47/906667147.db2.gz MJCZORZZCUYWSE-IEBWSBKVSA-N 1 1 352.438 1.434 20 30 FDEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001080951318 906798642 /nfs/dbraw/zinc/79/86/42/906798642.db2.gz PAKBEWFIYHOQAQ-SJKOYZFVSA-N 1 1 351.410 1.236 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001080951318 906798657 /nfs/dbraw/zinc/79/86/57/906798657.db2.gz PAKBEWFIYHOQAQ-SJKOYZFVSA-N 1 1 351.410 1.236 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2OC)nc1 ZINC001082331546 906805719 /nfs/dbraw/zinc/80/57/19/906805719.db2.gz SJOOWCSOKJXNPU-WOJBJXKFSA-N 1 1 360.417 1.564 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2OC)nc1 ZINC001082331546 906805739 /nfs/dbraw/zinc/80/57/39/906805739.db2.gz SJOOWCSOKJXNPU-WOJBJXKFSA-N 1 1 360.417 1.564 20 30 FDEDMO CCn1cc(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2OC)cn1 ZINC001082320924 906848331 /nfs/dbraw/zinc/84/83/31/906848331.db2.gz SQESTRDWELREIE-RTBURBONSA-N 1 1 367.453 1.333 20 30 FDEDMO CCn1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2OC)cn1 ZINC001082320924 906848343 /nfs/dbraw/zinc/84/83/43/906848343.db2.gz SQESTRDWELREIE-RTBURBONSA-N 1 1 367.453 1.333 20 30 FDEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1OC ZINC001082345327 906935320 /nfs/dbraw/zinc/93/53/20/906935320.db2.gz FCFIESWPSNPVLE-VAMGGRTRSA-N 1 1 356.466 1.595 20 30 FDEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C[C@H](OC)C2CCC2)C[C@H]1OC ZINC001082345326 906935700 /nfs/dbraw/zinc/93/57/00/906935700.db2.gz FBYMBASCHAYAFR-QHAWAJNXSA-N 1 1 370.493 1.841 20 30 FDEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2sc(COC)nc2C)[C@H](OC)C1 ZINC001082346907 906944115 /nfs/dbraw/zinc/94/41/15/906944115.db2.gz HKHNZLOVBBJIBP-ZIAGYGMSSA-N 1 1 353.488 1.993 20 30 FDEDMO CCn1nc(C)c(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)n1 ZINC001081050897 907106325 /nfs/dbraw/zinc/10/63/25/907106325.db2.gz BBWGJRLNNPGOBI-CXAGYDPISA-N 1 1 352.442 1.728 20 30 FDEDMO CCn1nc(C)c(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)n1 ZINC001081050897 907106331 /nfs/dbraw/zinc/10/63/31/907106331.db2.gz BBWGJRLNNPGOBI-CXAGYDPISA-N 1 1 352.442 1.728 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1c1ccccc1 ZINC001081121030 907178046 /nfs/dbraw/zinc/17/80/46/907178046.db2.gz PSHPKSOXXSPSBQ-JKSUJKDBSA-N 1 1 368.886 1.368 20 30 FDEDMO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]nnc3C2)C[C@H]1c1ccccc1 ZINC001081213848 907323141 /nfs/dbraw/zinc/32/31/41/907323141.db2.gz ROVOMCYGRFPINX-JTDSTZFVSA-N 1 1 351.454 1.680 20 30 FDEDMO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C[C@H]1c1ccccc1 ZINC001081213848 907323157 /nfs/dbraw/zinc/32/31/57/907323157.db2.gz ROVOMCYGRFPINX-JTDSTZFVSA-N 1 1 351.454 1.680 20 30 FDEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2c(C)c(C)sc2=O)[C@H](OC)C1 ZINC001082384134 907384752 /nfs/dbraw/zinc/38/47/52/907384752.db2.gz FKCFMHRDFCSZSA-HUUCEWRRSA-N 1 1 353.488 1.308 20 30 FDEDMO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H](C)c1cnn(C)c1 ZINC001082404241 907566047 /nfs/dbraw/zinc/56/60/47/907566047.db2.gz YPCSVTZAEUPABV-NIKGAXFTSA-N 1 1 367.453 1.411 20 30 FDEDMO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H](C)c1cnn(C)c1 ZINC001082404241 907566060 /nfs/dbraw/zinc/56/60/60/907566060.db2.gz YPCSVTZAEUPABV-NIKGAXFTSA-N 1 1 367.453 1.411 20 30 FDEDMO CCN(CC)S(=O)(=O)c1ccc(N=NC2CC[N@H+]3CCC[C@@H]23)nc1 ZINC000765563022 907575715 /nfs/dbraw/zinc/57/57/15/907575715.db2.gz NATKZXWEUWUTGO-HNNXBMFYSA-N 1 1 351.476 1.748 20 30 FDEDMO 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ZINC001129954535 938576711 /nfs/dbraw/zinc/57/67/11/938576711.db2.gz RNCFYQGZMPTKNS-SJORKVTESA-N 1 1 365.441 1.776 20 30 FDEDMO C=C[C@](C)(CCOC)C(=O)N1C[C@@H]([NH2+]CC(=C)Cl)[C@@H](n2ccnn2)C1 ZINC001129945074 938580424 /nfs/dbraw/zinc/58/04/24/938580424.db2.gz BFEBEGBCJVFHKD-HLLBOEOZSA-N 1 1 367.881 1.601 20 30 FDEDMO CC#CCCCC(=O)N1C[C@@H]([NH2+]Cc2oc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001129972983 938591892 /nfs/dbraw/zinc/59/18/92/938591892.db2.gz UZFSQIZXARUQTH-SJORKVTESA-N 1 1 370.457 1.618 20 30 FDEDMO C=C(C)C[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001129977886 938593140 /nfs/dbraw/zinc/59/31/40/938593140.db2.gz IYORHGDPFZYJFT-JQHSSLGASA-N 1 1 354.458 1.817 20 30 FDEDMO C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH]c(C)nc32)C[C@@H]1n1ccnn1 ZINC001130079478 938672455 /nfs/dbraw/zinc/67/24/55/938672455.db2.gz MHMNUDHTIOMTMP-SJORKVTESA-N 1 1 363.425 1.141 20 30 FDEDMO C=C(Cl)CN[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130096397 938680991 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363.462 1.050 20 30 FDEDMO C=CCCO[C@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC=C)n1 ZINC001130190479 938735315 /nfs/dbraw/zinc/73/53/15/938735315.db2.gz AHNNAOIFRSBBKZ-ILXRZTDVSA-N 1 1 363.462 1.050 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](C)C(C)C)[nH]1 ZINC001130193235 938737906 /nfs/dbraw/zinc/73/79/06/938737906.db2.gz OAGHNUZABBDINL-JYJNAYRXSA-N 1 1 361.490 1.589 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnccc2C)n1 ZINC001130196229 938739533 /nfs/dbraw/zinc/73/95/33/938739533.db2.gz XRBSTAZJQAUUCO-ZFWWWQNUSA-N 1 1 356.430 1.086 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnccc2C)n[nH]1 ZINC001130196229 938739536 /nfs/dbraw/zinc/73/95/36/938739536.db2.gz XRBSTAZJQAUUCO-ZFWWWQNUSA-N 1 1 356.430 1.086 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)=C2CCCC2)n1 ZINC001130198570 938740576 /nfs/dbraw/zinc/74/05/76/938740576.db2.gz PLQKPENWOBAGME-IRXDYDNUSA-N 1 1 371.485 1.797 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)=C2CCCC2)n[nH]1 ZINC001130198570 938740577 /nfs/dbraw/zinc/74/05/77/938740577.db2.gz PLQKPENWOBAGME-IRXDYDNUSA-N 1 1 371.485 1.797 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccsc2)n1 ZINC001130183154 938742572 /nfs/dbraw/zinc/74/25/72/938742572.db2.gz SJOOTXGCYNUCPT-KBPBESRZSA-N 1 1 361.471 1.834 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccsc2)n[nH]1 ZINC001130183154 938742574 /nfs/dbraw/zinc/74/25/74/938742574.db2.gz SJOOTXGCYNUCPT-KBPBESRZSA-N 1 1 361.471 1.834 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2coc(C)n2)n1 ZINC001130204697 938745621 /nfs/dbraw/zinc/74/56/21/938745621.db2.gz FHQJQXUSVABBPB-JSGCOSHPSA-N 1 1 360.418 1.069 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2coc(C)n2)n[nH]1 ZINC001130204697 938745622 /nfs/dbraw/zinc/74/56/22/938745622.db2.gz FHQJQXUSVABBPB-JSGCOSHPSA-N 1 1 360.418 1.069 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C=Cc2ccc[nH]2)n1 ZINC001130205160 938746082 /nfs/dbraw/zinc/74/60/82/938746082.db2.gz SNLLOZSVOQJSNF-XFCCUVRLSA-N 1 1 370.457 1.501 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=Cc2ccc[nH]2)n[nH]1 ZINC001130205160 938746084 /nfs/dbraw/zinc/74/60/84/938746084.db2.gz SNLLOZSVOQJSNF-XFCCUVRLSA-N 1 1 370.457 1.501 20 30 FDEDMO C#CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@H](F)CC)n[nH]1 ZINC001130209603 938747584 /nfs/dbraw/zinc/74/75/84/938747584.db2.gz HFYQTMLZNXTKRB-ILXRZTDVSA-N 1 1 365.453 1.435 20 30 FDEDMO C#CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@H](F)CC)n1 ZINC001130209603 938747585 /nfs/dbraw/zinc/74/75/85/938747585.db2.gz HFYQTMLZNXTKRB-ILXRZTDVSA-N 1 1 365.453 1.435 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C(F)F)CC2)n1 ZINC001130212941 938750001 /nfs/dbraw/zinc/75/00/01/938750001.db2.gz LXAFKFIWIYDOEX-RYUDHWBXSA-N 1 1 369.416 1.504 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(C(F)F)CC2)n[nH]1 ZINC001130212941 938750002 /nfs/dbraw/zinc/75/00/02/938750002.db2.gz LXAFKFIWIYDOEX-RYUDHWBXSA-N 1 1 369.416 1.504 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C23CCC(CC2)C3)n1 ZINC001130223105 938757127 /nfs/dbraw/zinc/75/71/27/938757127.db2.gz MCMMXHRDMBRJSC-LPRCSBTHSA-N 1 1 359.474 1.649 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C23CCC(CC2)C3)n[nH]1 ZINC001130223105 938757128 /nfs/dbraw/zinc/75/71/28/938757128.db2.gz MCMMXHRDMBRJSC-LPRCSBTHSA-N 1 1 359.474 1.649 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cocc2C)n1 ZINC001130227812 938761814 /nfs/dbraw/zinc/76/18/14/938761814.db2.gz QODNHLUBISYQBN-ZFWWWQNUSA-N 1 1 357.414 1.122 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cocc2C)n[nH]1 ZINC001130227812 938761815 /nfs/dbraw/zinc/76/18/15/938761815.db2.gz QODNHLUBISYQBN-ZFWWWQNUSA-N 1 1 357.414 1.122 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2CC=CCC2)[nH]1 ZINC001130230190 938763892 /nfs/dbraw/zinc/76/38/92/938763892.db2.gz QKNWVMIJCZLRMQ-IKGGRYGDSA-N 1 1 371.485 1.653 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC3(CCC3)C2)n1 ZINC001130230392 938764322 /nfs/dbraw/zinc/76/43/22/938764322.db2.gz WCMKNTWMTNCXPG-GJZGRUSLSA-N 1 1 359.474 1.649 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CC3(CCC3)C2)n[nH]1 ZINC001130230392 938764324 /nfs/dbraw/zinc/76/43/24/938764324.db2.gz WCMKNTWMTNCXPG-GJZGRUSLSA-N 1 1 359.474 1.649 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc[nH]c2C(C)C)[nH]1 ZINC001130234746 938766213 /nfs/dbraw/zinc/76/62/13/938766213.db2.gz JNIVARVUPQPCPV-ZFWWWQNUSA-N 1 1 370.457 1.282 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc[nH]c2C(C)C)n[nH]1 ZINC001130234746 938766215 /nfs/dbraw/zinc/76/62/15/938766215.db2.gz JNIVARVUPQPCPV-ZFWWWQNUSA-N 1 1 370.457 1.282 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C)CC(=C)C2)n1 ZINC001130234905 938766321 /nfs/dbraw/zinc/76/63/21/938766321.db2.gz OLJPNEIJKZBVIC-GJZGRUSLSA-N 1 1 359.474 1.815 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(C)CC(=C)C2)n[nH]1 ZINC001130234905 938766323 /nfs/dbraw/zinc/76/63/23/938766323.db2.gz OLJPNEIJKZBVIC-GJZGRUSLSA-N 1 1 359.474 1.815 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CC=C)CCC2)[nH]1 ZINC001130240451 938768205 /nfs/dbraw/zinc/76/82/05/938768205.db2.gz PAJQJTMMCMCPBV-GJZGRUSLSA-N 1 1 357.458 1.263 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC23CCCC3)[nH]1 ZINC001130244151 938770259 /nfs/dbraw/zinc/77/02/59/938770259.db2.gz BQEJDQDFYMCPHN-ZNMIVQPWSA-N 1 1 357.458 1.097 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC23CCCC3)n1 ZINC001130244906 938771007 /nfs/dbraw/zinc/77/10/07/938771007.db2.gz QJOILGVPLFNLCZ-JYJNAYRXSA-N 1 1 371.485 1.487 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC23CCCC3)n[nH]1 ZINC001130244906 938771008 /nfs/dbraw/zinc/77/10/08/938771008.db2.gz QJOILGVPLFNLCZ-JYJNAYRXSA-N 1 1 371.485 1.487 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(F)CCCCC2)n1 ZINC001130246788 938772047 /nfs/dbraw/zinc/77/20/47/938772047.db2.gz PUIJVMPHESJGSN-KBPBESRZSA-N 1 1 365.453 1.741 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(F)CCCCC2)n[nH]1 ZINC001130246788 938772049 /nfs/dbraw/zinc/77/20/49/938772049.db2.gz PUIJVMPHESJGSN-KBPBESRZSA-N 1 1 365.453 1.741 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(F)s2)[nH]1 ZINC001130253543 938775268 /nfs/dbraw/zinc/77/52/68/938775268.db2.gz BSZHXKUGOHDKGX-QWRGUYRKSA-N 1 1 363.418 1.031 20 30 FDEDMO N#Cc1ccc(N2CC[C@H](C(=O)OCCC[NH+]3CCOCC3)C2)c(F)c1 ZINC000805585758 938784557 /nfs/dbraw/zinc/78/45/57/938784557.db2.gz QDRMKTJGTSVWKL-INIZCTEOSA-N 1 1 361.417 1.789 20 30 FDEDMO C=C(Cl)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC(C)(C)O)CC1 ZINC001130288288 938793074 /nfs/dbraw/zinc/79/30/74/938793074.db2.gz NCSGOSDGENSFQU-PBHICJAKSA-N 1 1 371.909 1.375 20 30 FDEDMO C[C@H](C#N)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C/C(Cl)=C/Cl)C1 ZINC001130531659 938900273 /nfs/dbraw/zinc/90/02/73/938900273.db2.gz BAYUACLZCYKEKE-UESXFYMTSA-N 1 1 356.257 1.783 20 30 FDEDMO C#CCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2coc(C)n2)C1 ZINC001130574417 939874552 /nfs/dbraw/zinc/87/45/52/939874552.db2.gz UMCGXORITBAWEA-PKOBYXMFSA-N 1 1 369.469 1.994 20 30 FDEDMO C#CC[C@H](Cc1ccccc1)NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000806361258 939914633 /nfs/dbraw/zinc/91/46/33/939914633.db2.gz JPEYGWDLMNFTMH-LJQANCHMSA-N 1 1 356.514 1.946 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130634928 939937198 /nfs/dbraw/zinc/93/71/98/939937198.db2.gz ADXHMJGOHNZXOT-DFQSSKMNSA-N 1 1 369.513 1.202 20 30 FDEDMO C#Cc1cncc(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000806465778 939941258 /nfs/dbraw/zinc/94/12/58/939941258.db2.gz IREMNPBUOYERHX-UHFFFAOYSA-N 1 1 362.433 1.381 20 30 FDEDMO C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)F)[nH]n2)C[C@H]1c1cn(C)cn1 ZINC001130672805 939972101 /nfs/dbraw/zinc/97/21/01/939972101.db2.gz ZWURGHJBBCHNOD-XHDPSFHLSA-N 1 1 362.384 1.302 20 30 FDEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COC)n[nH]2)O1 ZINC001130753123 940061671 /nfs/dbraw/zinc/06/16/71/940061671.db2.gz ROHKXSMBNIHWTL-MELADBBJSA-N 1 1 351.451 1.232 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCCCOC)n[nH]2)O1 ZINC001130761521 940066730 /nfs/dbraw/zinc/06/67/30/940066730.db2.gz AKWMXHAFPDQAPX-LSDHHAIUSA-N 1 1 363.462 1.071 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COC(C)C)n[nH]2)O1 ZINC001130762163 940068960 /nfs/dbraw/zinc/06/89/60/940068960.db2.gz NLPTWZTWPFGDGX-UONOGXRCSA-N 1 1 351.451 1.232 20 30 FDEDMO C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCCC)n[nH]2)O1 ZINC001130762603 940070733 /nfs/dbraw/zinc/07/07/33/940070733.db2.gz YXKWGJRQNVFSPX-LSDHHAIUSA-N 1 1 365.478 1.623 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C)n3C)n[nH]2)O1 ZINC001130756405 940078697 /nfs/dbraw/zinc/07/86/97/940078697.db2.gz FKIDXVVCMJNOMC-GOEBONIOSA-N 1 1 370.457 1.215 20 30 FDEDMO 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C#CC[C@@H](CC(=O)N[C@@H]1C[N@H+](CC)C[C@@H]1n1ccnn1)c1ccccc1 ZINC001129496105 938443986 /nfs/dbraw/zinc/44/39/86/938443986.db2.gz FOYNKBSMIRWTJB-OTWHNJEPSA-N 1 1 351.454 1.837 20 30 FDEDMO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001086624304 938475368 /nfs/dbraw/zinc/47/53/68/938475368.db2.gz YBTRPVMMDFGVJQ-FUHWJXTLSA-N 1 1 350.422 1.335 20 30 FDEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001086624304 938475371 /nfs/dbraw/zinc/47/53/71/938475371.db2.gz YBTRPVMMDFGVJQ-FUHWJXTLSA-N 1 1 350.422 1.335 20 30 FDEDMO C=CCCC(=O)N1C[C@@H]([NH2+][C@@H](C)c2cnc(C)cn2)[C@@H](n2ccnn2)C1 ZINC001129667205 938478675 /nfs/dbraw/zinc/47/86/75/938478675.db2.gz RIJRTPMEKNLMGO-UAGQMJEPSA-N 1 1 355.446 1.445 20 30 FDEDMO Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@@H]2n2ccnn2)o1 ZINC001129824830 938522785 /nfs/dbraw/zinc/52/27/85/938522785.db2.gz CZQHHYINIVWNFR-CVEARBPZSA-N 1 1 370.457 1.474 20 30 FDEDMO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3c[nH]nc32)C[C@@H]1n1ccnn1 ZINC001129857817 938529687 /nfs/dbraw/zinc/52/96/87/938529687.db2.gz FXFYMJJOKLUQRF-BBWFWOEESA-N 1 1 369.473 1.429 20 30 FDEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001086626662 938577604 /nfs/dbraw/zinc/57/76/04/938577604.db2.gz ZCKYEUGSWNNBHW-KSZLIROESA-N 1 1 354.454 1.137 20 30 FDEDMO C#CCCCCCC(=O)N1C[C@@H]([NH2+]Cc2conc2C)[C@@H](n2ccnn2)C1 ZINC001129959084 938577929 /nfs/dbraw/zinc/57/79/29/938577929.db2.gz FSAIAFKCNFVZLV-MSOLQXFVSA-N 1 1 370.457 1.700 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](CCC)OCC)C[C@@H]1n1ccnn1 ZINC001129970667 938588264 /nfs/dbraw/zinc/58/82/64/938588264.db2.gz YRXQJVKYJMJTSQ-QLFBSQMISA-N 1 1 355.870 1.577 20 30 FDEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001129976630 938600972 /nfs/dbraw/zinc/60/09/72/938600972.db2.gz TTYOVPKMMUAFLP-BMFZPTHFSA-N 1 1 360.487 1.879 20 30 FDEDMO C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)cc3c[nH]nc32)C[C@@H]1n1ccnn1 ZINC001130045877 938645299 /nfs/dbraw/zinc/64/52/99/938645299.db2.gz CREIGHVKUPODEB-SJORKVTESA-N 1 1 363.425 1.141 20 30 FDEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)F)n1 ZINC001130179332 938726355 /nfs/dbraw/zinc/72/63/55/938726355.db2.gz BHCPIKHJSRVTOS-IHRRRGAJSA-N 1 1 367.469 1.986 20 30 FDEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)(C)F)n[nH]1 ZINC001130179332 938726358 /nfs/dbraw/zinc/72/63/58/938726358.db2.gz BHCPIKHJSRVTOS-IHRRRGAJSA-N 1 1 367.469 1.986 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)CSC)n1 ZINC001130192911 938737007 /nfs/dbraw/zinc/73/70/07/938737007.db2.gz AOGBHGSRINZQIY-IHRRRGAJSA-N 1 1 367.519 1.458 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)CSC)n[nH]1 ZINC001130192911 938737009 /nfs/dbraw/zinc/73/70/09/938737009.db2.gz AOGBHGSRINZQIY-IHRRRGAJSA-N 1 1 367.519 1.458 20 30 FDEDMO C=CCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCCCF)n[nH]1 ZINC001130193074 938737316 /nfs/dbraw/zinc/73/73/16/938737316.db2.gz HIGWUJAYFKNPLK-GJZGRUSLSA-N 1 1 367.469 1.989 20 30 FDEDMO C=CCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCCCF)n1 ZINC001130193074 938737317 /nfs/dbraw/zinc/73/73/17/938737317.db2.gz HIGWUJAYFKNPLK-GJZGRUSLSA-N 1 1 367.469 1.989 20 30 FDEDMO C=CCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC(C)C2)n[nH]1 ZINC001130193325 938738027 /nfs/dbraw/zinc/73/80/27/938738027.db2.gz SBPUSIMCWRBYFY-CKUJCDMFSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC(C)C2)n1 ZINC001130193325 938738029 /nfs/dbraw/zinc/73/80/29/938738029.db2.gz SBPUSIMCWRBYFY-CKUJCDMFSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2=COCCC2)n1 ZINC001130193321 938738106 /nfs/dbraw/zinc/73/81/06/938738106.db2.gz RVRZWKUZUZZHBR-GJZGRUSLSA-N 1 1 361.446 1.153 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2=COCCC2)n[nH]1 ZINC001130193321 938738109 /nfs/dbraw/zinc/73/81/09/938738109.db2.gz RVRZWKUZUZZHBR-GJZGRUSLSA-N 1 1 361.446 1.153 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccn2C)n1 ZINC001130184887 938744165 /nfs/dbraw/zinc/74/41/65/938744165.db2.gz LKNUZXCERHHBFE-ZFWWWQNUSA-N 1 1 358.446 1.111 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccn2C)n[nH]1 ZINC001130184887 938744167 /nfs/dbraw/zinc/74/41/67/938744167.db2.gz LKNUZXCERHHBFE-ZFWWWQNUSA-N 1 1 358.446 1.111 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCOC(C)C)n1 ZINC001130185110 938744517 /nfs/dbraw/zinc/74/45/17/938744517.db2.gz XCFNCWSFMZTSKR-GJZGRUSLSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCOC(C)C)n[nH]1 ZINC001130185110 938744518 /nfs/dbraw/zinc/74/45/18/938744518.db2.gz XCFNCWSFMZTSKR-GJZGRUSLSA-N 1 1 365.478 1.274 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC(C)(C)C2)[nH]1 ZINC001130207534 938746557 /nfs/dbraw/zinc/74/65/57/938746557.db2.gz FIKJZMKJSFYDOD-GJZGRUSLSA-N 1 1 359.474 1.343 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc[nH]c2CC)n1 ZINC001130207593 938746660 /nfs/dbraw/zinc/74/66/60/938746660.db2.gz IKFVCHBUTGQOFO-HOCLYGCPSA-N 1 1 370.457 1.111 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc[nH]c2CC)n[nH]1 ZINC001130207593 938746662 /nfs/dbraw/zinc/74/66/62/938746662.db2.gz IKFVCHBUTGQOFO-HOCLYGCPSA-N 1 1 370.457 1.111 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC(C)C)n1 ZINC001130209868 938747881 /nfs/dbraw/zinc/74/78/81/938747881.db2.gz OOAZNEMEHYNVPD-HOTGVXAUSA-N 1 1 359.474 1.509 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC(C)C)n[nH]1 ZINC001130209868 938747882 /nfs/dbraw/zinc/74/78/82/938747882.db2.gz OOAZNEMEHYNVPD-HOTGVXAUSA-N 1 1 359.474 1.509 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccsn2)n1 ZINC001130220827 938756455 /nfs/dbraw/zinc/75/64/55/938756455.db2.gz NFANGGWOVDZDMJ-AAEUAGOBSA-N 1 1 362.459 1.229 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccsn2)n[nH]1 ZINC001130220827 938756456 /nfs/dbraw/zinc/75/64/56/938756456.db2.gz NFANGGWOVDZDMJ-AAEUAGOBSA-N 1 1 362.459 1.229 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cncc(CC)c2)n1 ZINC001130223160 938757214 /nfs/dbraw/zinc/75/72/14/938757214.db2.gz OWORVUBWTAXJSF-HOTGVXAUSA-N 1 1 370.457 1.340 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cncc(CC)c2)n[nH]1 ZINC001130223160 938757215 /nfs/dbraw/zinc/75/72/15/938757215.db2.gz OWORVUBWTAXJSF-HOTGVXAUSA-N 1 1 370.457 1.340 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@](C)(F)CCCC)n1 ZINC001130223470 938757529 /nfs/dbraw/zinc/75/75/29/938757529.db2.gz VUFSJZUIQCZJID-DEYYWGMASA-N 1 1 367.469 1.987 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@](C)(F)CCCC)n[nH]1 ZINC001130223470 938757530 /nfs/dbraw/zinc/75/75/30/938757530.db2.gz VUFSJZUIQCZJID-DEYYWGMASA-N 1 1 367.469 1.987 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)CC(F)F)n1 ZINC001130224771 938758544 /nfs/dbraw/zinc/75/85/44/938758544.db2.gz BCWGJOFOQSMLQF-AVGNSLFASA-N 1 1 371.432 1.750 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)CC(F)F)n[nH]1 ZINC001130224771 938758545 /nfs/dbraw/zinc/75/85/45/938758545.db2.gz BCWGJOFOQSMLQF-AVGNSLFASA-N 1 1 371.432 1.750 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](CCC)OC)n1 ZINC001130224966 938759217 /nfs/dbraw/zinc/75/92/17/938759217.db2.gz KVMMEJUUMBDSDZ-ZNMIVQPWSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](CCC)OC)n[nH]1 ZINC001130224966 938759218 /nfs/dbraw/zinc/75/92/18/938759218.db2.gz KVMMEJUUMBDSDZ-ZNMIVQPWSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CC(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)OC)n[nH]1 ZINC001130227918 938762189 /nfs/dbraw/zinc/76/21/89/938762189.db2.gz VOOKJLSAEWLQLI-RDBSUJKOSA-N 1 1 365.478 1.130 20 30 FDEDMO C=CC(C)(C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)OC)n1 ZINC001130227918 938762190 /nfs/dbraw/zinc/76/21/90/938762190.db2.gz VOOKJLSAEWLQLI-RDBSUJKOSA-N 1 1 365.478 1.130 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cocc2C)[nH]1 ZINC001130227984 938762439 /nfs/dbraw/zinc/76/24/39/938762439.db2.gz YAPHOQVKOMCVGV-ZFWWWQNUSA-N 1 1 357.414 1.122 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc[nH]c2C2CC2)n1 ZINC001130232913 938765304 /nfs/dbraw/zinc/76/53/04/938765304.db2.gz SZNIMAKOJZLRNI-ZFWWWQNUSA-N 1 1 370.457 1.588 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc[nH]c2C2CC2)n[nH]1 ZINC001130232913 938765306 /nfs/dbraw/zinc/76/53/06/938765306.db2.gz SZNIMAKOJZLRNI-ZFWWWQNUSA-N 1 1 370.457 1.588 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)C2CC2)n1 ZINC001130234650 938765806 /nfs/dbraw/zinc/76/58/06/938765806.db2.gz GIDYBUDQYQFFSD-GJZGRUSLSA-N 1 1 359.474 1.343 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)(C)C2CC2)n[nH]1 ZINC001130234650 938765808 /nfs/dbraw/zinc/76/58/08/938765808.db2.gz GIDYBUDQYQFFSD-GJZGRUSLSA-N 1 1 359.474 1.343 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCC(C)(C)C)n1 ZINC001130242072 938769213 /nfs/dbraw/zinc/76/92/13/938769213.db2.gz CYFWGZNYYOHEMH-GJZGRUSLSA-N 1 1 361.490 1.733 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCC(C)(C)C)n[nH]1 ZINC001130242072 938769216 /nfs/dbraw/zinc/76/92/16/938769216.db2.gz CYFWGZNYYOHEMH-GJZGRUSLSA-N 1 1 361.490 1.733 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)cc2C)[nH]1 ZINC001130249208 938773492 /nfs/dbraw/zinc/77/34/92/938773492.db2.gz PGXPARXTKGBGEI-IRXDYDNUSA-N 1 1 367.453 1.447 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C)cc2C)n[nH]1 ZINC001130249208 938773494 /nfs/dbraw/zinc/77/34/94/938773494.db2.gz PGXPARXTKGBGEI-IRXDYDNUSA-N 1 1 367.453 1.447 20 30 FDEDMO C=CCCOCCCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@H]1O ZINC001090484772 938852011 /nfs/dbraw/zinc/85/20/11/938852011.db2.gz JQDBMNZZSWFCQT-IAGOWNOFSA-N 1 1 362.474 1.522 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1c1cn(C)cn1 ZINC001130590352 939897288 /nfs/dbraw/zinc/89/72/88/939897288.db2.gz MDSQXMUMBMPKIU-PKOBYXMFSA-N 1 1 371.529 1.592 20 30 FDEDMO C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC001130602498 939914031 /nfs/dbraw/zinc/91/40/31/939914031.db2.gz DUAWWVKDSYQMMH-PKOBYXMFSA-N 1 1 370.501 1.903 20 30 FDEDMO C#CCN[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1c1cn(C)cn1 ZINC001130632500 939935686 /nfs/dbraw/zinc/93/56/86/939935686.db2.gz CENYHLZDZOLFQW-AZUAARDMSA-N 1 1 371.529 1.592 20 30 FDEDMO C#CCN[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1c1cn(C)cn1 ZINC001130632500 939935687 /nfs/dbraw/zinc/93/56/87/939935687.db2.gz CENYHLZDZOLFQW-AZUAARDMSA-N 1 1 371.529 1.592 20 30 FDEDMO C=C[C@@H](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001130651961 939946272 /nfs/dbraw/zinc/94/62/72/939946272.db2.gz CIQXXYHQXKXESJ-YQQAZPJKSA-N 1 1 371.489 1.533 20 30 FDEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCCCC)C1 ZINC001111678443 939949093 /nfs/dbraw/zinc/94/90/93/939949093.db2.gz FCPUFFQTXCDUMT-BXWFABGCSA-N 1 1 351.491 1.465 20 30 FDEDMO C=C[C@@H](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nccn2C)C1 ZINC001130656988 939961211 /nfs/dbraw/zinc/96/12/11/939961211.db2.gz UPGWGCNZGMIZPP-XYJFISCASA-N 1 1 370.501 1.840 20 30 FDEDMO C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH]cnc32)C[C@H]1c1cn(C)cn1 ZINC001130698882 939992838 /nfs/dbraw/zinc/99/28/38/939992838.db2.gz VZBNFDXUVJKHOX-MAUKXSAKSA-N 1 1 362.437 1.518 20 30 FDEDMO C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)n[nH]c2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130708475 940014511 /nfs/dbraw/zinc/01/45/11/940014511.db2.gz RZCHCQNEEOSAHB-DOTOQJQBSA-N 1 1 368.485 1.796 20 30 FDEDMO C#CCN[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130736532 940037237 /nfs/dbraw/zinc/03/72/37/940037237.db2.gz GLMDGVMDATWFDT-PKOBYXMFSA-N 1 1 357.502 1.203 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(C)(F)F)n[nH]2)O1 ZINC001130749329 940055662 /nfs/dbraw/zinc/05/56/62/940055662.db2.gz FMKWUXNVOQHZOS-NWDGAFQWSA-N 1 1 357.405 1.852 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CCCCC3)n[nH]2)O1 ZINC001130749453 940056687 /nfs/dbraw/zinc/05/66/87/940056687.db2.gz IEWLYHSFRJVOOF-JKSUJKDBSA-N 1 1 359.474 1.834 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccccc3)n[nH]2)O1 ZINC001130754569 940065153 /nfs/dbraw/zinc/06/51/53/940065153.db2.gz HHKUQMCPUUTOEQ-JKSUJKDBSA-N 1 1 353.426 1.568 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCCC(C)=O)n[nH]2)O1 ZINC001130756646 940079511 /nfs/dbraw/zinc/07/95/11/940079511.db2.gz SCSHQKFEOYPDLP-LSDHHAIUSA-N 1 1 361.446 1.013 20 30 FDEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COCC)n[nH]2)O1 ZINC001130758344 940084205 /nfs/dbraw/zinc/08/42/05/940084205.db2.gz YHIIHLACQGJBLH-SOUVJXGZSA-N 1 1 365.478 1.622 20 30 FDEDMO 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C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(C)(C)CC=C)C1 ZINC001131313062 940552706 /nfs/dbraw/zinc/55/27/06/940552706.db2.gz GMOYSEBFSCZLHK-BBWFWOEESA-N 1 1 359.470 1.718 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(C)(C)CC=C)C1 ZINC001131313062 940552707 /nfs/dbraw/zinc/55/27/07/940552707.db2.gz GMOYSEBFSCZLHK-BBWFWOEESA-N 1 1 359.470 1.718 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCCF)C1 ZINC001131313197 940552779 /nfs/dbraw/zinc/55/27/79/940552779.db2.gz JTHBYZRWBYMESQ-XHSDSOJGSA-N 1 1 369.437 1.045 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCCF)C1 ZINC001131313197 940552780 /nfs/dbraw/zinc/55/27/80/940552780.db2.gz JTHBYZRWBYMESQ-XHSDSOJGSA-N 1 1 369.437 1.045 20 30 FDEDMO CC#CCCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC001131313356 940553107 /nfs/dbraw/zinc/55/31/07/940553107.db2.gz OZNCXWCGRUSOOV-KSZLIROESA-N 1 1 359.470 1.696 20 30 FDEDMO 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941017577 /nfs/dbraw/zinc/01/75/77/941017577.db2.gz RAJRSQPUEGQLQA-UHFFFAOYSA-N 1 1 356.451 1.989 20 30 FDEDMO C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC001195215277 970770806 /nfs/dbraw/zinc/77/08/06/970770806.db2.gz TVCFMDUBDVFJIU-QZTJIDSGSA-N 1 1 369.469 1.993 20 30 FDEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c(C)csc3n2)C1 ZINC001195214792 970771151 /nfs/dbraw/zinc/77/11/51/970771151.db2.gz MZONKHRFDYZXQQ-DAXOMENPSA-N 1 1 362.499 1.763 20 30 FDEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2 ZINC000811042396 941086843 /nfs/dbraw/zinc/08/68/43/941086843.db2.gz UGDUDGARIZWSRN-DZKIICNBSA-N 1 1 373.457 1.629 20 30 FDEDMO C[C@@H]1C[NH+]=C(NN=Cc2cc(I)cc([N+](=O)[O-])c2)N1 ZINC000811647078 941148358 /nfs/dbraw/zinc/14/83/58/941148358.db2.gz WTWCRTSBFFHSPR-SSDOTTSWSA-N 1 1 373.154 1.471 20 30 FDEDMO C#C[C@H](C)N(C)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000812008005 941175986 /nfs/dbraw/zinc/17/59/86/941175986.db2.gz KWRZDZWQXQFZND-INIZCTEOSA-N 1 1 372.469 1.511 20 30 FDEDMO CC(=NOCCOC(C)C)c1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000812238627 941189626 /nfs/dbraw/zinc/18/96/26/941189626.db2.gz BAGYPGUHLRHZFQ-UHFFFAOYSA-N 1 1 369.487 1.446 20 30 FDEDMO C#CCNC(=O)C1CC[NH+](CC(=O)Nc2cccc(NC(C)=O)c2)CC1 ZINC000747823974 941280469 /nfs/dbraw/zinc/28/04/69/941280469.db2.gz YDPJTVARRKPUMJ-UHFFFAOYSA-N 1 1 356.426 1.045 20 30 FDEDMO CC(C)(CO)[NH+]1CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000747840981 941345819 /nfs/dbraw/zinc/34/58/19/941345819.db2.gz XCJJQWHZUCRZTH-CQSZACIVSA-N 1 1 372.494 1.861 20 30 FDEDMO C#CCNC(=O)C1CCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000747854796 941392108 /nfs/dbraw/zinc/39/21/08/941392108.db2.gz QVYVRBUWOSOZFO-UHFFFAOYSA-N 1 1 368.481 1.216 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000814140885 941561151 /nfs/dbraw/zinc/56/11/51/941561151.db2.gz PVYVBFRNQIKKJF-HOTGVXAUSA-N 1 1 361.486 1.990 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000814140885 941561154 /nfs/dbraw/zinc/56/11/54/941561154.db2.gz PVYVBFRNQIKKJF-HOTGVXAUSA-N 1 1 361.486 1.990 20 30 FDEDMO N#Cc1cccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1Cl ZINC001195286550 970825031 /nfs/dbraw/zinc/82/50/31/970825031.db2.gz KYSPSGATJSGKQY-CQSZACIVSA-N 1 1 369.874 1.743 20 30 FDEDMO N#Cc1cccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)c1Cl ZINC001195286550 970825033 /nfs/dbraw/zinc/82/50/33/970825033.db2.gz KYSPSGATJSGKQY-CQSZACIVSA-N 1 1 369.874 1.743 20 30 FDEDMO Fc1cc2c(cc1Br)C(=NNCCC[NH+]1CCOCC1)CO2 ZINC000814923510 941739312 /nfs/dbraw/zinc/73/93/12/941739312.db2.gz JIKLNMXJIWCUNM-UHFFFAOYSA-N 1 1 372.238 1.997 20 30 FDEDMO C#CCNC(=O)CC[N@@H+](CC)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000815016225 941754214 /nfs/dbraw/zinc/75/42/14/941754214.db2.gz UWSPDFDOTGZARI-UHFFFAOYSA-N 1 1 372.425 1.314 20 30 FDEDMO C#CCNC(=O)CC[N@H+](CC)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000815016225 941754217 /nfs/dbraw/zinc/75/42/17/941754217.db2.gz UWSPDFDOTGZARI-UHFFFAOYSA-N 1 1 372.425 1.314 20 30 FDEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000815083210 941778430 /nfs/dbraw/zinc/77/84/30/941778430.db2.gz QRYQGCGBUNPQQP-UHFFFAOYSA-N 1 1 359.289 1.824 20 30 FDEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCn2cc(-c3ccccc3)cn2)C[C@H]1O ZINC001195306967 970839150 /nfs/dbraw/zinc/83/91/50/970839150.db2.gz IOKDRCPJXVMWJN-RTBURBONSA-N 1 1 368.481 1.924 20 30 FDEDMO C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000815831148 941981814 /nfs/dbraw/zinc/98/18/14/941981814.db2.gz ZVZOYJWATCQZIE-HXUWFJFHSA-N 1 1 355.438 1.581 20 30 FDEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000815860469 941996154 /nfs/dbraw/zinc/99/61/54/941996154.db2.gz MOGMOYWUBNXOKI-UHFFFAOYSA-N 1 1 356.426 1.355 20 30 FDEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000815860387 941996410 /nfs/dbraw/zinc/99/64/10/941996410.db2.gz IXPSOGPJZKRBIL-UHFFFAOYSA-N 1 1 364.833 1.308 20 30 FDEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1 ZINC000815861441 941996915 /nfs/dbraw/zinc/99/69/15/941996915.db2.gz IXDMSPZSNRRZKR-UHFFFAOYSA-N 1 1 365.817 1.136 20 30 FDEDMO CCn1nc(C)c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000815983793 942032637 /nfs/dbraw/zinc/03/26/37/942032637.db2.gz RDFLATHKQDZQOA-UHFFFAOYSA-N 1 1 352.442 1.895 20 30 FDEDMO COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001086740615 942180817 /nfs/dbraw/zinc/18/08/17/942180817.db2.gz HLYVPCNJJNJRBE-DZGCQCFKSA-N 1 1 354.414 1.373 20 30 FDEDMO C[C@@H](C#N)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000816492948 942222662 /nfs/dbraw/zinc/22/26/62/942222662.db2.gz KAMGDJDHAXGTTL-GJZGRUSLSA-N 1 1 352.479 1.841 20 30 FDEDMO N#CCOc1ccc(CC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)cc1 ZINC000856082882 970892877 /nfs/dbraw/zinc/89/28/77/970892877.db2.gz VZVRMUQOTBLNEF-RTBURBONSA-N 1 1 369.465 1.891 20 30 FDEDMO N#CCOc1cccc(CC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c1 ZINC000856084216 970894381 /nfs/dbraw/zinc/89/43/81/970894381.db2.gz PYFMYFSTUMMOLP-RTBURBONSA-N 1 1 369.465 1.891 20 30 FDEDMO C#CC[C@]1(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)CCCN1C(=O)OC(C)(C)C ZINC000816950107 942397642 /nfs/dbraw/zinc/39/76/42/942397642.db2.gz LXLMAOLEPWLPCE-GQIGUUNPSA-N 1 1 361.486 1.942 20 30 FDEDMO C#CCNC(=O)CC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C ZINC000817292245 942661134 /nfs/dbraw/zinc/66/11/34/942661134.db2.gz KJWAOTUZEZDZTL-XHSDSOJGSA-N 1 1 351.491 1.997 20 30 FDEDMO CC#CCCCC(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)C(F)F)C[C@H]1O ZINC001195467273 970970369 /nfs/dbraw/zinc/97/03/69/970970369.db2.gz MOXMTHWRTVSMGA-CHWSQXEVSA-N 1 1 368.371 1.258 20 30 FDEDMO CC#CCCCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)C(F)F)C[C@H]1O ZINC001195467273 970970371 /nfs/dbraw/zinc/97/03/71/970970371.db2.gz MOXMTHWRTVSMGA-CHWSQXEVSA-N 1 1 368.371 1.258 20 30 FDEDMO C#CC[N@H+](C)CCCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1 ZINC000818611848 943302276 /nfs/dbraw/zinc/30/22/76/943302276.db2.gz FLUHIWSKJZNFOZ-WMZOPIPTSA-N 1 1 361.873 1.931 20 30 FDEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1O ZINC000818615573 943302876 /nfs/dbraw/zinc/30/28/76/943302876.db2.gz QYONATKMURDCJL-UHFFFAOYSA-N 1 1 370.409 1.626 20 30 FDEDMO C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)ccc1F ZINC000818620806 943305183 /nfs/dbraw/zinc/30/51/83/943305183.db2.gz GQJRAVHPNCOSGN-BETUJISGSA-N 1 1 369.462 1.455 20 30 FDEDMO C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)ccc1F ZINC000818620806 943305189 /nfs/dbraw/zinc/30/51/89/943305189.db2.gz GQJRAVHPNCOSGN-BETUJISGSA-N 1 1 369.462 1.455 20 30 FDEDMO C#C[C@H](NC(=O)NCC[N@@H+](CC)CCO)c1ccc(Br)cc1 ZINC000820618116 944122109 /nfs/dbraw/zinc/12/21/09/944122109.db2.gz XFEKWEWPZJOQPQ-HNNXBMFYSA-N 1 1 368.275 1.737 20 30 FDEDMO CON=C(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1csc(N)n1 ZINC000821124630 944346683 /nfs/dbraw/zinc/34/66/83/944346683.db2.gz BCRWTSNVNGEENE-SMDDNHRTSA-N 1 1 363.487 1.551 20 30 FDEDMO CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c1 ZINC000823790827 946030274 /nfs/dbraw/zinc/03/02/74/946030274.db2.gz OAZDVDLHAPVHQB-DLBZAZTESA-N 1 1 360.479 1.507 20 30 FDEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001110107832 946293509 /nfs/dbraw/zinc/29/35/09/946293509.db2.gz WWALUJYTWGXPGU-UGUYLWEFSA-N 1 1 355.504 1.146 20 30 FDEDMO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000824667882 946663181 /nfs/dbraw/zinc/66/31/81/946663181.db2.gz JQJYSFIJNGCKAW-IJEWVQPXSA-N 1 1 356.426 1.469 20 30 FDEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573283552 946720407 /nfs/dbraw/zinc/72/04/07/946720407.db2.gz VAFRRZBHMQJZIZ-SJORKVTESA-N 1 1 367.457 1.677 20 30 FDEDMO C#CCCCC(=O)N[C@@]12CCC[C@H]1N(c1cc[nH+]cc1-c1nn[nH]n1)CC2 ZINC001573284451 946746837 /nfs/dbraw/zinc/74/68/37/946746837.db2.gz CSYTUGRJAYGCGZ-VQIMIIECSA-N 1 1 365.441 1.683 20 30 FDEDMO C#CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573285326 946775363 /nfs/dbraw/zinc/77/53/63/946775363.db2.gz WGWXZZQBJMJTGQ-OAHLLOKOSA-N 1 1 356.405 1.500 20 30 FDEDMO C#CCCCC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573285326 946775366 /nfs/dbraw/zinc/77/53/66/946775366.db2.gz WGWXZZQBJMJTGQ-OAHLLOKOSA-N 1 1 356.405 1.500 20 30 FDEDMO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@H]2O)CCC1 ZINC001195897087 971287373 /nfs/dbraw/zinc/28/73/73/971287373.db2.gz OFRCSRRNOLMFQT-IAGOWNOFSA-N 1 1 357.454 1.193 20 30 FDEDMO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@H]2O)CCC1 ZINC001195897087 971287384 /nfs/dbraw/zinc/28/73/84/971287384.db2.gz OFRCSRRNOLMFQT-IAGOWNOFSA-N 1 1 357.454 1.193 20 30 FDEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccnn(Cc2cccnc2)c1=O ZINC001171072314 946880196 /nfs/dbraw/zinc/88/01/96/946880196.db2.gz IFSYGQFWRDBCIF-INIZCTEOSA-N 1 1 371.441 1.325 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC001195885959 971306312 /nfs/dbraw/zinc/30/63/12/971306312.db2.gz IRQTVWBQFGGLGX-KSZLIROESA-N 1 1 365.518 1.757 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+]([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC001195885959 971306320 /nfs/dbraw/zinc/30/63/20/971306320.db2.gz IRQTVWBQFGGLGX-KSZLIROESA-N 1 1 365.518 1.757 20 30 FDEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001573294150 946981009 /nfs/dbraw/zinc/98/10/09/946981009.db2.gz WLJJHHYEGPSEHY-SFHVURJKSA-N 1 1 371.445 1.078 20 30 FDEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C(C)(C)C1 ZINC001573294601 946991879 /nfs/dbraw/zinc/99/18/79/946991879.db2.gz DLXWHKRFGQHHTA-ZDUSSCGKSA-N 1 1 363.853 1.778 20 30 FDEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C(C)(C)C1 ZINC001573294601 946991885 /nfs/dbraw/zinc/99/18/85/946991885.db2.gz DLXWHKRFGQHHTA-ZDUSSCGKSA-N 1 1 363.853 1.778 20 30 FDEDMO C[C@H](C#N)C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573565723 947014310 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1.757 20 30 FDEDMO C=C(C)C(=O)OCCNC(=O)c1cccc(CN2CCC[N@H+](C)CC2)c1 ZINC001197509443 972269468 /nfs/dbraw/zinc/26/94/68/972269468.db2.gz MICLVXFFLIZDCO-UHFFFAOYSA-N 1 1 359.470 1.673 20 30 FDEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCS(=O)(=O)N(C)C)C2 ZINC001110140598 957580898 /nfs/dbraw/zinc/58/08/98/957580898.db2.gz GBTKOZMYUGSFEJ-WCVJEAGWSA-N 1 1 357.520 1.344 20 30 FDEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(C#N)nn2)C1 ZINC001093124090 957587535 /nfs/dbraw/zinc/58/75/35/957587535.db2.gz OHPBTVFNXLKLEY-KXBFYZLASA-N 1 1 356.474 1.729 20 30 FDEDMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC#Cc2ccccc2Cl)C[C@H]1O ZINC001197536023 972279752 /nfs/dbraw/zinc/27/97/52/972279752.db2.gz HGMRJPOHILBICP-QZTJIDSGSA-N 1 1 363.889 1.195 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3ccccc3OC)[C@H](C)C2)C1=O ZINC001093149900 957651749 /nfs/dbraw/zinc/65/17/49/957651749.db2.gz LRSOXDTUWXVSER-NUJGCVRESA-N 1 1 371.481 1.780 20 30 FDEDMO 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C=C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1)c1ccccc1 ZINC001094237286 960149847 /nfs/dbraw/zinc/14/98/47/960149847.db2.gz ZRQYUQLXDCCLLS-DJIMGWMZSA-N 1 1 354.458 1.364 20 30 FDEDMO C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001197859219 972486984 /nfs/dbraw/zinc/48/69/84/972486984.db2.gz KDEQWVRSZFVBLL-RTBURBONSA-N 1 1 362.518 1.970 20 30 FDEDMO Cc1nnc(C[N@@H+]2CC[C@@]3(CNC(=O)c4ccc(C#N)[nH]4)CCC[C@@H]23)[nH]1 ZINC001094396206 960346266 /nfs/dbraw/zinc/34/62/66/960346266.db2.gz OJULLHTZIKIGFT-CRAIPNDOSA-N 1 1 353.430 1.488 20 30 FDEDMO Cc1nnc(C[N@H+]2CC[C@@]3(CNC(=O)c4ccc(C#N)[nH]4)CCC[C@@H]23)[nH]1 ZINC001094396206 960346271 /nfs/dbraw/zinc/34/62/71/960346271.db2.gz OJULLHTZIKIGFT-CRAIPNDOSA-N 1 1 353.430 1.488 20 30 FDEDMO Cn1ncc(C[N@@H+]2CC[C@@]3(CNC(=O)c4c[nH]c(C#N)c4)CCC[C@@H]23)n1 ZINC001094397432 960348332 /nfs/dbraw/zinc/34/83/32/960348332.db2.gz YQBFHWHFXLFNFM-SJLPKXTDSA-N 1 1 353.430 1.189 20 30 FDEDMO 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CC[C@@H](CSC)[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000091096992 524641210 /nfs/dbraw/zinc/64/12/10/524641210.db2.gz LNAGFCBDKBZYJV-AWEZNQCLSA-N 1 1 365.503 1.577 20 30 FDEDMO CC[C@H](CSC)[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000091096993 524641528 /nfs/dbraw/zinc/64/15/28/524641528.db2.gz LNAGFCBDKBZYJV-CQSZACIVSA-N 1 1 365.503 1.577 20 30 FDEDMO Cc1cccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1C#N ZINC000174615904 524653631 /nfs/dbraw/zinc/65/36/31/524653631.db2.gz DPPWLBCZAIZFTA-GOSISDBHSA-N 1 1 371.485 1.193 20 30 FDEDMO CS[C@H]1CCCC[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000091631880 524747122 /nfs/dbraw/zinc/74/71/22/524747122.db2.gz QMZOVDHCUKSBMV-DLBZAZTESA-N 1 1 352.548 1.896 20 30 FDEDMO CC(C)(C#N)c1ccc(NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000174907505 524791944 /nfs/dbraw/zinc/79/19/44/524791944.db2.gz LRJLXPSLMJGBHT-IBGZPJMESA-N 1 1 360.458 1.692 20 30 FDEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)[C@H](C)c3ccncc3)CC2)o1 ZINC000091986004 524823644 /nfs/dbraw/zinc/82/36/44/524823644.db2.gz YIUWLJBJBXARPX-CQSZACIVSA-N 1 1 368.441 1.591 20 30 FDEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@H](C)c3ccncc3)CC2)o1 ZINC000091986004 524823656 /nfs/dbraw/zinc/82/36/56/524823656.db2.gz YIUWLJBJBXARPX-CQSZACIVSA-N 1 1 368.441 1.591 20 30 FDEDMO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000114715891 524857600 /nfs/dbraw/zinc/85/76/00/524857600.db2.gz QDSHLONEDMWGCT-NVXWUHKLSA-N 1 1 357.458 1.149 20 30 FDEDMO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000114715891 524857614 /nfs/dbraw/zinc/85/76/14/524857614.db2.gz QDSHLONEDMWGCT-NVXWUHKLSA-N 1 1 357.458 1.149 20 30 FDEDMO Cc1csc(C(C)(C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)n1 ZINC000092643065 524903618 /nfs/dbraw/zinc/90/36/18/524903618.db2.gz FLPKCGNESPVYAG-OAHLLOKOSA-N 1 1 363.531 1.969 20 30 FDEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](CC(N)=O)C2)c(OC)c1 ZINC000175211736 524904935 /nfs/dbraw/zinc/90/49/35/524904935.db2.gz WPVVNFCOLRRTAS-IAGOWNOFSA-N 1 1 362.470 1.751 20 30 FDEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000115433366 524995627 /nfs/dbraw/zinc/99/56/27/524995627.db2.gz UEAUJJPLWYMWPI-OAHLLOKOSA-N 1 1 365.499 1.565 20 30 FDEDMO C#CC[NH+]1CCC(C(=O)N2CCOC[C@@H]2CC(=O)c2cccs2)CC1 ZINC000176082584 525051483 /nfs/dbraw/zinc/05/14/83/525051483.db2.gz HCPJXAWYWFQUCE-INIZCTEOSA-N 1 1 360.479 1.894 20 30 FDEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000153269857 525162506 /nfs/dbraw/zinc/16/25/06/525162506.db2.gz SSQRVMAGKUAUIE-UHFFFAOYSA-N 1 1 371.832 1.892 20 30 FDEDMO CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153292128 525167939 /nfs/dbraw/zinc/16/79/39/525167939.db2.gz LOMMCCAACXDAGR-GFCCVEGCSA-N 1 1 358.450 1.533 20 30 FDEDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000125222336 525168564 /nfs/dbraw/zinc/16/85/64/525168564.db2.gz YAGIIZBVPLXOGZ-UHFFFAOYSA-N 1 1 358.442 1.314 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000101554162 525231900 /nfs/dbraw/zinc/23/19/00/525231900.db2.gz WMLGPBQMPMWHII-KRWDZBQOSA-N 1 1 371.481 1.300 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000101554162 525231909 /nfs/dbraw/zinc/23/19/09/525231909.db2.gz WMLGPBQMPMWHII-KRWDZBQOSA-N 1 1 371.481 1.300 20 30 FDEDMO CC(C)CN1CCO[C@H](CNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000177124976 525244433 /nfs/dbraw/zinc/24/44/33/525244433.db2.gz DLCMZBTULPGQQK-CYBMUJFWSA-N 1 1 373.425 1.472 20 30 FDEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000126125755 525275787 /nfs/dbraw/zinc/27/57/87/525275787.db2.gz WNLSHLRUCZIXLH-YOEHRIQHSA-N 1 1 363.483 1.010 20 30 FDEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000177604536 525317198 /nfs/dbraw/zinc/31/71/98/525317198.db2.gz DAVXPNYQVMGMOK-UHFFFAOYSA-N 1 1 363.483 1.845 20 30 FDEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000103226539 525340450 /nfs/dbraw/zinc/34/04/50/525340450.db2.gz CDRRFTAPEMYREA-UHFFFAOYSA-N 1 1 372.444 1.633 20 30 FDEDMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(CC#N)cc1 ZINC000177980288 525368228 /nfs/dbraw/zinc/36/82/28/525368228.db2.gz DVOOVRYWKIXDTJ-QGZVFWFLSA-N 1 1 351.410 1.887 20 30 FDEDMO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000154077120 525414759 /nfs/dbraw/zinc/41/47/59/525414759.db2.gz JMKZASSRSRKYIJ-MRXNPFEDSA-N 1 1 351.472 1.883 20 30 FDEDMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000154077120 525414765 /nfs/dbraw/zinc/41/47/65/525414765.db2.gz JMKZASSRSRKYIJ-MRXNPFEDSA-N 1 1 351.472 1.883 20 30 FDEDMO C#CCC[NH+]1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 ZINC000127421609 525419920 /nfs/dbraw/zinc/41/99/20/525419920.db2.gz OPQRWHKIIKSONQ-UHFFFAOYSA-N 1 1 374.510 1.305 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104713046 525425906 /nfs/dbraw/zinc/42/59/06/525425906.db2.gz FBNLMGVWXYSALF-CQSZACIVSA-N 1 1 356.426 1.802 20 30 FDEDMO C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC000118127609 525477226 /nfs/dbraw/zinc/47/72/26/525477226.db2.gz XFHWPZVWGJSSGU-CYBMUJFWSA-N 1 1 358.442 1.140 20 30 FDEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000118825256 525549898 /nfs/dbraw/zinc/54/98/98/525549898.db2.gz LQWQSLXXPKJXNI-KDURUIRLSA-N 1 1 374.533 1.133 20 30 FDEDMO CCN(C[C@@H](C)C#N)C(=O)CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154545389 525567712 /nfs/dbraw/zinc/56/77/12/525567712.db2.gz FZFDTOYDNCQPDD-GBESFXJTSA-N 1 1 363.550 1.485 20 30 FDEDMO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H]1CCCN1c1cccnn1 ZINC000106089329 525571789 /nfs/dbraw/zinc/57/17/89/525571789.db2.gz KHJMUTNWYNMLLO-INIZCTEOSA-N 1 1 356.474 1.720 20 30 FDEDMO C[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H]1CCCN1c1cccnn1 ZINC000106089329 525571798 /nfs/dbraw/zinc/57/17/98/525571798.db2.gz KHJMUTNWYNMLLO-INIZCTEOSA-N 1 1 356.474 1.720 20 30 FDEDMO CCOCC[NH+]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000106105726 525593884 /nfs/dbraw/zinc/59/38/84/525593884.db2.gz GJMNPEJWGOKHGK-SFHVURJKSA-N 1 1 358.486 1.976 20 30 FDEDMO CCOCC[NH+]1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000106105729 525594947 /nfs/dbraw/zinc/59/49/47/525594947.db2.gz GJMNPEJWGOKHGK-GOSISDBHSA-N 1 1 358.486 1.976 20 30 FDEDMO C[C@@](C#N)(NC(=O)C[NH2+][C@@H](CN1CCCC1=O)c1ccccc1)C1CC1 ZINC000179550169 525598804 /nfs/dbraw/zinc/59/88/04/525598804.db2.gz DOBQXZBTNVDLHW-PXNSSMCTSA-N 1 1 354.454 1.748 20 30 FDEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000179554715 525600623 /nfs/dbraw/zinc/60/06/23/525600623.db2.gz FTBQGZUBYDFEMG-FUHWJXTLSA-N 1 1 356.470 1.948 20 30 FDEDMO C=CCNC(=O)CNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000179763415 525627774 /nfs/dbraw/zinc/62/77/74/525627774.db2.gz CGLYYQYTQRTFMI-CQSZACIVSA-N 1 1 372.469 1.404 20 30 FDEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)COCc1cccs1 ZINC000154844543 525657860 /nfs/dbraw/zinc/65/78/60/525657860.db2.gz LVTXIYNYMRYWFY-GJZGRUSLSA-N 1 1 373.482 1.498 20 30 FDEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)COCc1cccs1 ZINC000154844543 525657869 /nfs/dbraw/zinc/65/78/69/525657869.db2.gz LVTXIYNYMRYWFY-GJZGRUSLSA-N 1 1 373.482 1.498 20 30 FDEDMO N#Cc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cn1 ZINC000170657562 525663367 /nfs/dbraw/zinc/66/33/67/525663367.db2.gz UOBQJYPSCYASMS-UHFFFAOYSA-N 1 1 356.451 1.850 20 30 FDEDMO N#Cc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cn1 ZINC000170657562 525663374 /nfs/dbraw/zinc/66/33/74/525663374.db2.gz UOBQJYPSCYASMS-UHFFFAOYSA-N 1 1 356.451 1.850 20 30 FDEDMO C=C(C)C[NH+]1CCC(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)CC1 ZINC000106290830 525687810 /nfs/dbraw/zinc/68/78/10/525687810.db2.gz VGBZOEDXBZDQJS-UHFFFAOYSA-N 1 1 369.469 1.840 20 30 FDEDMO Cn1cnnc1[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000170874151 525749472 /nfs/dbraw/zinc/74/94/72/525749472.db2.gz DUUBMLPIUFUPLT-GDBMZVCRSA-N 1 1 364.409 1.198 20 30 FDEDMO Cn1cnnc1[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000170874151 525749480 /nfs/dbraw/zinc/74/94/80/525749480.db2.gz DUUBMLPIUFUPLT-GDBMZVCRSA-N 1 1 364.409 1.198 20 30 FDEDMO CN(CCC#N)C(=O)CC[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000131394487 525854481 /nfs/dbraw/zinc/85/44/81/525854481.db2.gz CERJPLYWKCESNV-UHFFFAOYSA-N 1 1 367.453 1.688 20 30 FDEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000107370982 525880207 /nfs/dbraw/zinc/88/02/07/525880207.db2.gz SZYJWKZYSHDZRP-RTWAWAEBSA-N 1 1 373.541 1.867 20 30 FDEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000107370982 525880214 /nfs/dbraw/zinc/88/02/14/525880214.db2.gz SZYJWKZYSHDZRP-RTWAWAEBSA-N 1 1 373.541 1.867 20 30 FDEDMO C[N@@H+](CCN1CCN(C(=O)c2ccc(C#N)cn2)CC1)Cc1ccccc1 ZINC000107594674 525898736 /nfs/dbraw/zinc/89/87/36/525898736.db2.gz LVAWVUNRQFLLCB-UHFFFAOYSA-N 1 1 363.465 1.843 20 30 FDEDMO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000155543843 525900378 /nfs/dbraw/zinc/90/03/78/525900378.db2.gz IVMJFWQTBWDNLS-UHFFFAOYSA-N 1 1 365.499 1.862 20 30 FDEDMO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 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/nfs/dbraw/zinc/70/87/84/816708784.db2.gz HIFUXLLBOKEMEA-KXBFYZLASA-N 1 1 356.474 1.666 20 30 FDEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCc1ccc(CC#N)cc1 ZINC000516281346 816732374 /nfs/dbraw/zinc/73/23/74/816732374.db2.gz RSRCMIDUMSKSSY-SFHVURJKSA-N 1 1 371.485 1.495 20 30 FDEDMO COCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000425801758 817064892 /nfs/dbraw/zinc/06/48/92/817064892.db2.gz HXRZMPWMPPCCKV-UHFFFAOYSA-N 1 1 358.442 1.260 20 30 FDEDMO CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425824640 817178403 /nfs/dbraw/zinc/17/84/03/817178403.db2.gz ZLTMIWUWTHZZHV-GOEBONIOSA-N 1 1 356.426 1.448 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000425884628 817305129 /nfs/dbraw/zinc/30/51/29/817305129.db2.gz NPZZBGOKBQEXQV-ROUUACIJSA-N 1 1 359.470 1.462 20 30 FDEDMO COc1ccc(C#N)cc1C[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000438091951 817457136 /nfs/dbraw/zinc/45/71/36/817457136.db2.gz HIOADJDIXORZOY-UHFFFAOYSA-N 1 1 350.422 1.988 20 30 FDEDMO C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@]2(C)C1 ZINC001101280124 818034827 /nfs/dbraw/zinc/03/48/27/818034827.db2.gz HBUCBLKPSYXBQX-JZXOWHBKSA-N 1 1 356.532 1.946 20 30 FDEDMO CCOc1ccc([C@@H]2CCN(CC#N)C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001087471683 818083562 /nfs/dbraw/zinc/08/35/62/818083562.db2.gz PKEYFKLLTVWTON-IHPCNDPISA-N 1 1 370.497 1.835 20 30 FDEDMO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000894500785 818132280 /nfs/dbraw/zinc/13/22/80/818132280.db2.gz WLUJSYZJYSHBKJ-OTWHNJEPSA-N 1 1 354.454 1.786 20 30 FDEDMO C#CCC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cnnn2C)C1 ZINC001087474255 818247312 /nfs/dbraw/zinc/24/73/12/818247312.db2.gz UCWVMLOBKFJPDL-ROUUACIJSA-N 1 1 367.453 1.435 20 30 FDEDMO COc1ccc([C@@H]2CCN(CC#N)C[C@@H]2NC(=O)Cn2c[nH+]cc2C)cc1 ZINC001087475190 818295719 /nfs/dbraw/zinc/29/57/19/818295719.db2.gz VVQBXMZNVYRQSF-OALUTQOASA-N 1 1 367.453 1.698 20 30 FDEDMO CCn1nncc1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001075764427 818312991 /nfs/dbraw/zinc/31/29/91/818312991.db2.gz WAVHUTRMJIKQHX-MAUKXSAKSA-N 1 1 368.416 1.655 20 30 FDEDMO CCn1nncc1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001075764427 818312999 /nfs/dbraw/zinc/31/29/99/818312999.db2.gz WAVHUTRMJIKQHX-MAUKXSAKSA-N 1 1 368.416 1.655 20 30 FDEDMO CC#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001087475474 818325288 /nfs/dbraw/zinc/32/52/88/818325288.db2.gz KGVWRJUYCGAPBC-JRSUCEMESA-N 1 1 368.477 1.885 20 30 FDEDMO CC#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001087475474 818325293 /nfs/dbraw/zinc/32/52/93/818325293.db2.gz KGVWRJUYCGAPBC-JRSUCEMESA-N 1 1 368.477 1.885 20 30 FDEDMO N#CCOc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000983647798 818359694 /nfs/dbraw/zinc/35/96/94/818359694.db2.gz CTNFYYLGUYGACL-MUIFIZLQSA-N 1 1 358.398 1.239 20 30 FDEDMO C=CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001087476495 818377656 /nfs/dbraw/zinc/37/76/56/818377656.db2.gz PPSZTIIZWWGXFC-BZSNNMDCSA-N 1 1 357.454 1.434 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cocn1 ZINC000983669539 818504465 /nfs/dbraw/zinc/50/44/65/818504465.db2.gz LBJWTWYHXCPIHH-VYDXJSESSA-N 1 1 358.442 1.129 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cocn1 ZINC000983669539 818504472 /nfs/dbraw/zinc/50/44/72/818504472.db2.gz LBJWTWYHXCPIHH-VYDXJSESSA-N 1 1 358.442 1.129 20 30 FDEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCC[N@H+]2C)nc1 ZINC000983676499 818522615 /nfs/dbraw/zinc/52/26/15/818522615.db2.gz VIHSDKUSNMGRBY-HHXXYDBFSA-N 1 1 368.481 1.514 20 30 FDEDMO COCCS(=O)(=O)CCC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000729480140 818990649 /nfs/dbraw/zinc/99/06/49/818990649.db2.gz NGPFOXIDVGCPAC-UHFFFAOYSA-N 1 1 366.483 1.853 20 30 FDEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000328657195 819524805 /nfs/dbraw/zinc/52/48/05/819524805.db2.gz ONSDUPILGVULPT-CVEARBPZSA-N 1 1 363.458 1.687 20 30 FDEDMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000328717584 819540624 /nfs/dbraw/zinc/54/06/24/819540624.db2.gz PLFXZMADGPCIQN-SJORKVTESA-N 1 1 373.501 1.274 20 30 FDEDMO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cn(Cc3ccccc3)nn2)C[C@H]1C ZINC000328743146 819542450 /nfs/dbraw/zinc/54/24/50/819542450.db2.gz NFPFXLOCESNNCE-CABCVRRESA-N 1 1 358.446 1.259 20 30 FDEDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cn(Cc3ccccc3)nn2)C[C@H]1C ZINC000328743146 819542459 /nfs/dbraw/zinc/54/24/59/819542459.db2.gz NFPFXLOCESNNCE-CABCVRRESA-N 1 1 358.446 1.259 20 30 FDEDMO Cc1cc([C@@H]2CCCN(C(=O)N[C@H](C)CCN3CC[NH+](C)CC3)C2)[nH]n1 ZINC000328755124 819545138 /nfs/dbraw/zinc/54/51/38/819545138.db2.gz SSLWLMFBDXLVDK-NVXWUHKLSA-N 1 1 362.522 1.838 20 30 FDEDMO C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC(=O)N1C ZINC000328727716 819548350 /nfs/dbraw/zinc/54/83/50/819548350.db2.gz VGAXIGXZDXICPF-OAHLLOKOSA-N 1 1 360.458 1.095 20 30 FDEDMO CC(=O)N1CC[C@@H](C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000328948330 819585910 /nfs/dbraw/zinc/58/59/10/819585910.db2.gz BTONIFWWTTVCRD-MRXNPFEDSA-N 1 1 372.469 1.921 20 30 FDEDMO CC[NH+]1CCN(C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000328951801 819587815 /nfs/dbraw/zinc/58/78/15/819587815.db2.gz NRAIOZGQODPUJW-NVXWUHKLSA-N 1 1 366.412 1.788 20 30 FDEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331143995 819666729 /nfs/dbraw/zinc/66/67/29/819666729.db2.gz MXEBHJMRBCSBQH-CXAGYDPISA-N 1 1 362.434 1.871 20 30 FDEDMO COC(=O)C1(CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CCCCC1 ZINC000331269971 819672115 /nfs/dbraw/zinc/67/21/15/819672115.db2.gz FQDFWFSMJWLFRS-OAHLLOKOSA-N 1 1 369.506 1.801 20 30 FDEDMO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH+]2CCN(C(=O)CC#N)CC2)C1 ZINC000895065385 819836768 /nfs/dbraw/zinc/83/67/68/819836768.db2.gz CIIUBWAWZPWGGT-SFHVURJKSA-N 1 1 350.463 1.691 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2COCCO2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001087505930 819903236 /nfs/dbraw/zinc/90/32/36/819903236.db2.gz GKMPOBGWYAUEIH-KSZLIROESA-N 1 1 361.417 1.582 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2COCCO2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001087505930 819903242 /nfs/dbraw/zinc/90/32/42/819903242.db2.gz GKMPOBGWYAUEIH-KSZLIROESA-N 1 1 361.417 1.582 20 30 FDEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccnc(F)c3)[C@H]2CC)C1=O ZINC001087517317 820320829 /nfs/dbraw/zinc/32/08/29/820320829.db2.gz QTKFPIXIBUCJPG-ARFHVFGLSA-N 1 1 360.433 1.590 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CC[N@H+]1Cc1cc(C#N)ccc1OC ZINC001087521596 820391735 /nfs/dbraw/zinc/39/17/35/820391735.db2.gz MSONIQUVCIFZDT-GVDBMIGSSA-N 1 1 370.453 1.315 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000984036173 820627995 /nfs/dbraw/zinc/62/79/95/820627995.db2.gz AFMUOOKTQWQSES-SOLBZPMBSA-N 1 1 371.485 1.680 20 30 FDEDMO C#Cc1cncc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC000984060689 820680600 /nfs/dbraw/zinc/68/06/00/820680600.db2.gz HFWZKIYXJSCDQA-AYBZRNKSSA-N 1 1 368.481 1.372 20 30 FDEDMO C#Cc1cncc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC000984063005 820689724 /nfs/dbraw/zinc/68/97/24/820689724.db2.gz VAEBOJKVTUHYBC-AYOQOUSVSA-N 1 1 368.481 1.514 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cnc(C)cn3)C[C@H]21 ZINC001075805124 820714050 /nfs/dbraw/zinc/71/40/50/820714050.db2.gz OLIZNBUGVSIJTC-AITUJVMLSA-N 1 1 356.470 1.799 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cnc(C)cn3)C[C@H]21 ZINC001075805124 820714061 /nfs/dbraw/zinc/71/40/61/820714061.db2.gz OLIZNBUGVSIJTC-AITUJVMLSA-N 1 1 356.470 1.799 20 30 FDEDMO Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCCN(O)C3=O)cnc12 ZINC000895160236 821206820 /nfs/dbraw/zinc/20/68/20/821206820.db2.gz LIHSKUNYCVSUPW-GFCCVEGCSA-N 1 1 353.220 1.875 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1CC(=O)N1CCC(C)CC1 ZINC001087545978 821251921 /nfs/dbraw/zinc/25/19/21/821251921.db2.gz KLVQSOUTANZGIU-FUHWJXTLSA-N 1 1 371.485 1.728 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1CC(=O)N1CCC(C)CC1 ZINC001087545978 821251926 /nfs/dbraw/zinc/25/19/26/821251926.db2.gz KLVQSOUTANZGIU-FUHWJXTLSA-N 1 1 371.485 1.728 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)c2cnn(C)c2N)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001087550629 821362821 /nfs/dbraw/zinc/36/28/21/821362821.db2.gz KFNPFVFXWWXEJB-DLBZAZTESA-N 1 1 370.432 1.796 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)c2cnn(C)c2N)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001087550629 821362828 /nfs/dbraw/zinc/36/28/28/821362828.db2.gz KFNPFVFXWWXEJB-DLBZAZTESA-N 1 1 370.432 1.796 20 30 FDEDMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ncc(C#N)cc1F ZINC001126537995 821401746 /nfs/dbraw/zinc/40/17/46/821401746.db2.gz MAQFGAFXYFHYNQ-UKRRQHHQSA-N 1 1 363.437 1.002 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)c2cnnn2CC)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087562391 821494335 /nfs/dbraw/zinc/49/43/35/821494335.db2.gz WAUHLDLIGGMIAD-DLBZAZTESA-N 1 1 352.442 1.953 20 30 FDEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3cncs3)[C@H]2CC)C1=O ZINC001087612378 821739175 /nfs/dbraw/zinc/73/91/75/821739175.db2.gz LTBKUSWIZMAQMB-XHSDSOJGSA-N 1 1 362.499 1.442 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)NC2)CC[N@H+]1CC#Cc1ccccc1 ZINC001087635270 821853313 /nfs/dbraw/zinc/85/33/13/821853313.db2.gz SBFXSNQUWQMGLW-GBESFXJTSA-N 1 1 353.466 1.533 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)CC[N@@H+]1Cc1ccccc1C#N ZINC001087635469 821854426 /nfs/dbraw/zinc/85/44/26/821854426.db2.gz AOZSXIVRMGBGNP-BPQIPLTHSA-N 1 1 354.454 1.554 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)CC[N@H+]1Cc1ccccc1C#N ZINC001087635469 821854436 /nfs/dbraw/zinc/85/44/36/821854436.db2.gz AOZSXIVRMGBGNP-BPQIPLTHSA-N 1 1 354.454 1.554 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)CN2CCCNC2=O)CC[N@@H+]1Cc1ccccc1C#N ZINC001087639670 821906956 /nfs/dbraw/zinc/90/69/56/821906956.db2.gz KTEWXGYVIRMIBX-ZWKOTPCHSA-N 1 1 369.469 1.443 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)CN2CCCNC2=O)CC[N@H+]1Cc1ccccc1C#N ZINC001087639670 821906959 /nfs/dbraw/zinc/90/69/59/821906959.db2.gz KTEWXGYVIRMIBX-ZWKOTPCHSA-N 1 1 369.469 1.443 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001087686929 822039246 /nfs/dbraw/zinc/03/92/46/822039246.db2.gz FPJZCKCXQVYTEA-JKSUJKDBSA-N 1 1 371.416 1.919 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001087686929 822039255 /nfs/dbraw/zinc/03/92/55/822039255.db2.gz FPJZCKCXQVYTEA-JKSUJKDBSA-N 1 1 371.416 1.919 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)CC[N@H+]1CC#Cc1ccccc1 ZINC001087715064 822174050 /nfs/dbraw/zinc/17/40/50/822174050.db2.gz QPXUZMWEVHVSGF-UEXGIBASSA-N 1 1 353.466 1.676 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3conc3CC)[C@H]2CC)C1=O ZINC001087715897 822177444 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ZINC001130181904 938729083 /nfs/dbraw/zinc/72/90/83/938729083.db2.gz WPDBRLUKAKJTOG-ZFWWWQNUSA-N 1 1 359.430 1.674 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C)o2)n[nH]1 ZINC001130181904 938729084 /nfs/dbraw/zinc/72/90/84/938729084.db2.gz WPDBRLUKAKJTOG-ZFWWWQNUSA-N 1 1 359.430 1.674 20 30 FDEDMO CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#Cc2ccc(F)cc2)[nH]1 ZINC001130173491 938731979 /nfs/dbraw/zinc/73/19/79/938731979.db2.gz SWYOKQSNMHZKOK-IRXDYDNUSA-N 1 1 371.416 1.094 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)/C=C(/C)C2CC2)n1 ZINC001130186399 938731994 /nfs/dbraw/zinc/73/19/94/938731994.db2.gz BGJKMGCCZKWLOP-UPUWXQQRSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=C(C)C2CC2)n[nH]1 ZINC001130186399 938731995 /nfs/dbraw/zinc/73/19/95/938731995.db2.gz BGJKMGCCZKWLOP-UPUWXQQRSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCOCC)n[nH]1 ZINC001130193055 938737331 /nfs/dbraw/zinc/73/73/31/938737331.db2.gz GUHNAHNVVRFQKL-GJZGRUSLSA-N 1 1 365.478 1.276 20 30 FDEDMO C=CCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCOCC)n1 ZINC001130193055 938737332 /nfs/dbraw/zinc/73/73/32/938737332.db2.gz GUHNAHNVVRFQKL-GJZGRUSLSA-N 1 1 365.478 1.276 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=C(C)CC)[nH]1 ZINC001130207847 938747072 /nfs/dbraw/zinc/74/70/72/938747072.db2.gz SHXOWUGXUZKARY-OVGBVBOLSA-N 1 1 367.881 1.992 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC(C)=C(C)C2)[nH]1 ZINC001130213131 938750469 /nfs/dbraw/zinc/75/04/69/938750469.db2.gz VFVXPQDLFCCPNW-ULQDDVLXSA-N 1 1 371.485 1.653 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C)SC)[nH]1 ZINC001130200235 938753736 /nfs/dbraw/zinc/75/37/36/938753736.db2.gz DRJPJMDEKAWAEN-RDBSUJKOSA-N 1 1 365.503 1.048 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)=CCC)[nH]1 ZINC001130200228 938753815 /nfs/dbraw/zinc/75/38/15/938753815.db2.gz DOWDUTVEYYDDIM-ZKZSOYRCSA-N 1 1 367.881 1.992 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2csnc2C)n1 ZINC001130200708 938754384 /nfs/dbraw/zinc/75/43/84/938754384.db2.gz TZAAJYVSNRUVPX-AAEUAGOBSA-N 1 1 362.459 1.148 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2csnc2C)n[nH]1 ZINC001130200708 938754385 /nfs/dbraw/zinc/75/43/85/938754385.db2.gz TZAAJYVSNRUVPX-AAEUAGOBSA-N 1 1 362.459 1.148 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[C@@H](C)O2)n1 ZINC001130239910 938756270 /nfs/dbraw/zinc/75/62/70/938756270.db2.gz CUWNXLZBQNGGQF-BARDWOONSA-N 1 1 363.462 1.027 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC[C@@H](C)O2)n[nH]1 ZINC001130239910 938756271 /nfs/dbraw/zinc/75/62/71/938756271.db2.gz CUWNXLZBQNGGQF-BARDWOONSA-N 1 1 363.462 1.027 20 30 FDEDMO C=CC(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C/C=C\Cl)n[nH]1 ZINC001130227776 938761887 /nfs/dbraw/zinc/76/18/87/938761887.db2.gz OJDFRZDPHSNANP-REPZICSESA-N 1 1 367.881 1.848 20 30 FDEDMO C=CC(C)(C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C/C=C\Cl)n1 ZINC001130227776 938761889 /nfs/dbraw/zinc/76/18/89/938761889.db2.gz OJDFRZDPHSNANP-REPZICSESA-N 1 1 367.881 1.848 20 30 FDEDMO CC#CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCC)n[nH]1 ZINC001130229718 938763104 /nfs/dbraw/zinc/76/31/04/938763104.db2.gz BJVYLPMXWXUMDW-HOTGVXAUSA-N 1 1 361.490 1.877 20 30 FDEDMO CC#CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCC)n1 ZINC001130229718 938763106 /nfs/dbraw/zinc/76/31/06/938763106.db2.gz BJVYLPMXWXUMDW-HOTGVXAUSA-N 1 1 361.490 1.877 20 30 FDEDMO CC#CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130229941 938763304 /nfs/dbraw/zinc/76/33/04/938763304.db2.gz JFPAEHFNYBMDNK-GJZGRUSLSA-N 1 1 365.453 1.436 20 30 FDEDMO CC#CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1 ZINC001130229941 938763305 /nfs/dbraw/zinc/76/33/05/938763305.db2.gz JFPAEHFNYBMDNK-GJZGRUSLSA-N 1 1 365.453 1.436 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCCF)n1 ZINC001130230161 938763719 /nfs/dbraw/zinc/76/37/19/938763719.db2.gz OYJGOCGMLHWLLE-KBPBESRZSA-N 1 1 353.442 1.599 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCCF)n[nH]1 ZINC001130230161 938763720 /nfs/dbraw/zinc/76/37/20/938763720.db2.gz OYJGOCGMLHWLLE-KBPBESRZSA-N 1 1 353.442 1.599 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(C)(F)F)n1 ZINC001130233076 938765376 /nfs/dbraw/zinc/76/53/76/938765376.db2.gz XRQYAYHFPRMZCW-RYUDHWBXSA-N 1 1 357.405 1.504 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(C)(F)F)n[nH]1 ZINC001130233076 938765377 /nfs/dbraw/zinc/76/53/77/938765377.db2.gz XRQYAYHFPRMZCW-RYUDHWBXSA-N 1 1 357.405 1.504 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2conc2C)n1 ZINC001130232949 938765431 /nfs/dbraw/zinc/76/54/31/938765431.db2.gz VMIZVTMNRVPACJ-JSGCOSHPSA-N 1 1 360.418 1.069 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2conc2C)n[nH]1 ZINC001130232949 938765434 /nfs/dbraw/zinc/76/54/34/938765434.db2.gz VMIZVTMNRVPACJ-JSGCOSHPSA-N 1 1 360.418 1.069 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC23CCC3)n1 ZINC001130240574 938768384 /nfs/dbraw/zinc/76/83/84/938768384.db2.gz VJHURYOFXLXLOF-KKUMJFAQSA-N 1 1 359.474 1.649 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC23CCC3)n[nH]1 ZINC001130240574 938768385 /nfs/dbraw/zinc/76/83/85/938768385.db2.gz VJHURYOFXLXLOF-KKUMJFAQSA-N 1 1 359.474 1.649 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2oncc2C)n1 ZINC001130244683 938770441 /nfs/dbraw/zinc/77/04/41/938770441.db2.gz NKWJBEJNUSZNAJ-STQMWFEESA-N 1 1 360.418 1.069 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2oncc2C)n[nH]1 ZINC001130244683 938770442 /nfs/dbraw/zinc/77/04/42/938770442.db2.gz NKWJBEJNUSZNAJ-STQMWFEESA-N 1 1 360.418 1.069 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)CC(C)C)[nH]1 ZINC001130244875 938770525 /nfs/dbraw/zinc/77/05/25/938770525.db2.gz OSUOXESGWDVZAM-PMPSAXMXSA-N 1 1 361.490 1.589 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccn2CC)n1 ZINC001130248983 938773164 /nfs/dbraw/zinc/77/31/64/938773164.db2.gz DDNSWWVIABXJPT-HOCLYGCPSA-N 1 1 370.457 1.042 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccn2CC)n[nH]1 ZINC001130248983 938773167 /nfs/dbraw/zinc/77/31/67/938773167.db2.gz DDNSWWVIABXJPT-HOCLYGCPSA-N 1 1 370.457 1.042 20 30 FDEDMO C=C(Cl)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](F)CC)CC1 ZINC001130295630 938797999 /nfs/dbraw/zinc/79/79/99/938797999.db2.gz KXXKLRIRKPLUKG-FMKPAKJESA-N 1 1 359.873 1.962 20 30 FDEDMO CC[C@@H]1C[C@H]1C(=O)NCc1ccncc1O[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001130323446 938810274 /nfs/dbraw/zinc/81/02/74/938810274.db2.gz JNIOXYMHIIBUSX-NZSAHSFTSA-N 1 1 371.481 1.847 20 30 FDEDMO CC[C@@H]1C[C@H]1C(=O)NCc1ccncc1O[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001130323446 938810275 /nfs/dbraw/zinc/81/02/75/938810275.db2.gz JNIOXYMHIIBUSX-NZSAHSFTSA-N 1 1 371.481 1.847 20 30 FDEDMO C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001130578113 939880788 /nfs/dbraw/zinc/88/07/88/939880788.db2.gz FDGVKCGGEMLRJK-FUHWJXTLSA-N 1 1 354.458 1.041 20 30 FDEDMO Cc1nc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cn(C)cn2)cs1 ZINC001130590344 939897014 /nfs/dbraw/zinc/89/70/14/939897014.db2.gz LNTGYCVHPHZYRW-FUHWJXTLSA-N 1 1 371.510 1.929 20 30 FDEDMO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C)C[C@H]1c1cn(C)cn1 ZINC001130614685 939911940 /nfs/dbraw/zinc/91/19/40/939911940.db2.gz BDYOSXMTUVHVPS-UHOSZYNNSA-N 1 1 359.518 1.755 20 30 FDEDMO C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCCO1 ZINC000806425816 939922635 /nfs/dbraw/zinc/92/26/35/939922635.db2.gz PEKVWXRBXZBCMK-FHWLQOOXSA-N 1 1 369.465 1.064 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)c2ccn3cncc3c2)C[C@H]1c1cn(C)cn1 ZINC001130621920 939931601 /nfs/dbraw/zinc/93/16/01/939931601.db2.gz GSABWLISIIBUFN-PKOBYXMFSA-N 1 1 364.453 1.842 20 30 FDEDMO CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(CCC)[nH]n2)C[C@H]1c1cn(C)cn1 ZINC001130637975 939940200 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367.449 1.950 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CSC)n[nH]2)O1 ZINC001130752800 940060084 /nfs/dbraw/zinc/06/00/84/940060084.db2.gz BINDZWDINAKERM-QWHCGFSZSA-N 1 1 353.492 1.560 20 30 FDEDMO CC(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CSCC#N)n[nH]2)O1 ZINC001130757878 940082827 /nfs/dbraw/zinc/08/28/27/940082827.db2.gz JXBZLUOQRVUXJI-QWHCGFSZSA-N 1 1 366.491 1.143 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C)nc3)n[nH]2)O1 ZINC001130759796 940087015 /nfs/dbraw/zinc/08/70/15/940087015.db2.gz MBUKQNPWSUICEE-LSDHHAIUSA-N 1 1 356.430 1.434 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](CC)OCC)n[nH]2)O1 ZINC001130764986 940094455 /nfs/dbraw/zinc/09/44/55/940094455.db2.gz BGXHXHQLMPQQTH-SOUVJXGZSA-N 1 1 363.462 1.069 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)OCC)n[nH]2)O1 ZINC001130767417 940100916 /nfs/dbraw/zinc/10/09/16/940100916.db2.gz HZNOLMFMDORWRI-SOUVJXGZSA-N 1 1 365.478 1.622 20 30 FDEDMO 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ZINC001091545752 951985966 /nfs/dbraw/zinc/98/59/66/951985966.db2.gz UFYAUJIACCJIFS-KSMMKXTCSA-N 1 1 356.426 1.271 20 30 FDEDMO C[C@@H](C#N)C(=O)N1C[C@H]2C[N@@H+](CC(=O)Nc3ccc(O)cc3)C[C@@]2(C)C1 ZINC001091545752 951985973 /nfs/dbraw/zinc/98/59/73/951985973.db2.gz UFYAUJIACCJIFS-KSMMKXTCSA-N 1 1 356.426 1.271 20 30 FDEDMO CCn1nnc(C)c1C[N@H+]1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@]2(C)C1 ZINC001091574554 952111951 /nfs/dbraw/zinc/11/19/51/952111951.db2.gz JZLGAUCIKWITPG-BEFAXECRSA-N 1 1 367.457 1.400 20 30 FDEDMO C=C(Br)C[N@H+]1C[C@@H]2CN(C(=O)Cc3cc(C)n[nH]3)C[C@]2(C)C1 ZINC001091589194 952156960 /nfs/dbraw/zinc/15/69/60/952156960.db2.gz QCIOYZYBUITKOR-CJNGLKHVSA-N 1 1 367.291 1.950 20 30 FDEDMO C=C(Br)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3cc(C)n[nH]3)C[C@]2(C)C1 ZINC001091589194 952156964 /nfs/dbraw/zinc/15/69/64/952156964.db2.gz QCIOYZYBUITKOR-CJNGLKHVSA-N 1 1 367.291 1.950 20 30 FDEDMO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571085823 952198703 /nfs/dbraw/zinc/19/87/03/952198703.db2.gz VDTKOWDYCSXYHK-JSGCOSHPSA-N 1 1 371.420 1.588 20 30 FDEDMO Cc1nnsc1C[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@]2(C)C1 ZINC001091613050 952288949 /nfs/dbraw/zinc/28/89/49/952288949.db2.gz KYOHANCHBSLBDT-DYVFJYSZSA-N 1 1 356.455 1.640 20 30 FDEDMO Cc1nnsc1C[N@H+]1C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@]2(C)C1 ZINC001091613050 952288957 /nfs/dbraw/zinc/28/89/57/952288957.db2.gz KYOHANCHBSLBDT-DYVFJYSZSA-N 1 1 356.455 1.640 20 30 FDEDMO C[C@]12CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]1C[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC001091613196 952305459 /nfs/dbraw/zinc/30/54/59/952305459.db2.gz NBBRWHNIFSGPRS-OGWOLHLISA-N 1 1 365.441 1.059 20 30 FDEDMO Cc1cc(C#N)nc(N[C@@H]2CC[C@H](CNC(=O)C[N@H+](C)C3CCC3)C2)n1 ZINC001091644461 952467862 /nfs/dbraw/zinc/46/78/62/952467862.db2.gz OTYUQCPAIBVJIO-LSDHHAIUSA-N 1 1 356.474 1.838 20 30 FDEDMO C=C(Br)C[N@H+]1C[C@@H]2CN(C(=O)c3cnn(CC)n3)C[C@]2(C)C1 ZINC001091648463 952491756 /nfs/dbraw/zinc/49/17/56/952491756.db2.gz AVLDYRCOIWECLK-DOMZBBRYSA-N 1 1 368.279 1.601 20 30 FDEDMO C=C(Br)C[N@@H+]1C[C@@H]2CN(C(=O)c3cnn(CC)n3)C[C@]2(C)C1 ZINC001091648463 952491759 /nfs/dbraw/zinc/49/17/59/952491759.db2.gz AVLDYRCOIWECLK-DOMZBBRYSA-N 1 1 368.279 1.601 20 30 FDEDMO C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1 ZINC001091655202 952516106 /nfs/dbraw/zinc/51/61/06/952516106.db2.gz GUIKNSUQDRLPRG-CDXJDZJCSA-N 1 1 357.498 1.581 20 30 FDEDMO CC1CCC(NC(=O)C[N@H+]2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)CC1 ZINC001091655902 952517855 /nfs/dbraw/zinc/51/78/55/952517855.db2.gz RBLYFKLWUOHHBA-UOCVTNFKSA-N 1 1 371.525 1.875 20 30 FDEDMO C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1C[N@@H+](Cc1cc(=O)[nH]c(C3CC3)n1)C2 ZINC001091659064 952518928 /nfs/dbraw/zinc/51/89/28/952518928.db2.gz FZYFRHQLDBLEON-IERDGZPVSA-N 1 1 366.465 1.753 20 30 FDEDMO C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1C[N@H+](CC(=O)Nc1ccccc1)C2 ZINC001091661076 952523972 /nfs/dbraw/zinc/52/39/72/952523972.db2.gz YVNSMSRIJRBAMY-UTKZUKDTSA-N 1 1 351.450 1.819 20 30 FDEDMO C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1C[N@@H+](CC(=O)Nc1ccccc1)C2 ZINC001091661076 952523977 /nfs/dbraw/zinc/52/39/77/952523977.db2.gz YVNSMSRIJRBAMY-UTKZUKDTSA-N 1 1 351.450 1.819 20 30 FDEDMO C[C@]12CN(C(=O)CO[C@@H]3CCOC3)C[C@H]1C[N@@H+](Cc1ccccc1C#N)C2 ZINC001091669624 952574102 /nfs/dbraw/zinc/57/41/02/952574102.db2.gz SOMNBHKDBWGIFS-SBHAEUEKSA-N 1 1 369.465 1.644 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@@]2(C)C1 ZINC001091682658 952623745 /nfs/dbraw/zinc/62/37/45/952623745.db2.gz BUTRWTSSAWNLSR-XSYGEPLQSA-N 1 1 358.486 1.682 20 30 FDEDMO CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C/c1ccc[nH]1)C2 ZINC001110483169 971851066 /nfs/dbraw/zinc/85/10/66/971851066.db2.gz REWIFOMXTBBXCQ-NMUYSCTASA-N 1 1 369.469 1.512 20 30 FDEDMO CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C/c1ccc[nH]1)C2 ZINC001110483169 971851072 /nfs/dbraw/zinc/85/10/72/971851072.db2.gz REWIFOMXTBBXCQ-NMUYSCTASA-N 1 1 369.469 1.512 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N[C@@H](C)C1CC1)C2 ZINC001148311169 952679800 /nfs/dbraw/zinc/67/98/00/952679800.db2.gz YJLNZSZJIMXSGX-UAGQMJEPSA-N 1 1 361.486 1.027 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)N[C@@H](C)C1CC1)C2 ZINC001148311169 952679801 /nfs/dbraw/zinc/67/98/01/952679801.db2.gz YJLNZSZJIMXSGX-UAGQMJEPSA-N 1 1 361.486 1.027 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCO[C@@H]1CCOC1)C2 ZINC001148311171 952680076 /nfs/dbraw/zinc/68/00/76/952680076.db2.gz YLEMUXFVTAVJCL-KURKYZTESA-N 1 1 364.486 1.307 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3ncc(CC)o3)C[C@@]2(C)C1 ZINC001091748677 952794745 /nfs/dbraw/zinc/79/47/45/952794745.db2.gz UJCXMTHKNJXHIH-MMOPVJDHSA-N 1 1 370.497 1.615 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3ncc(CC)o3)C[C@@]2(C)C1 ZINC001091748677 952794748 /nfs/dbraw/zinc/79/47/48/952794748.db2.gz UJCXMTHKNJXHIH-MMOPVJDHSA-N 1 1 370.497 1.615 20 30 FDEDMO C[C@]12CN(C(=O)c3cn[nH]c(=O)c3)C[C@H]1C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001091762485 952845207 /nfs/dbraw/zinc/84/52/07/952845207.db2.gz LSURTZIMARCEGG-XLIONFOSSA-N 1 1 363.421 1.648 20 30 FDEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sc(N(C)C)nc2C)C1 ZINC001196710252 971876172 /nfs/dbraw/zinc/87/61/72/971876172.db2.gz XKTAJRTYRXENJS-IACUBPJLSA-N 1 1 352.504 1.647 20 30 FDEDMO COCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001086959638 952956396 /nfs/dbraw/zinc/95/63/96/952956396.db2.gz MXOSPELFXOTSGO-ZWKOTPCHSA-N 1 1 371.416 1.161 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cncs2)C[C@H]1c1cnn(C)c1 ZINC001086969962 952970646 /nfs/dbraw/zinc/97/06/46/952970646.db2.gz QKGSWIVVYLNMOP-QWHCGFSZSA-N 1 1 351.863 1.827 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1c1cnn(C)c1 ZINC001086970801 952972454 /nfs/dbraw/zinc/97/24/54/952972454.db2.gz IHBMBRVBGVURNH-JKSUJKDBSA-N 1 1 362.865 1.033 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2n[nH]c(C)c2C)C[C@H]1c1cnn(C)c1 ZINC001086972018 952975275 /nfs/dbraw/zinc/97/52/75/952975275.db2.gz RYLUQZCUWGVIBM-LSDHHAIUSA-N 1 1 362.865 1.710 20 30 FDEDMO Cc1conc1C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cnn(C)c1 ZINC001086978830 952991418 /nfs/dbraw/zinc/99/14/18/952991418.db2.gz SROPWRSGXKLDDF-FUHWJXTLSA-N 1 1 353.426 1.214 20 30 FDEDMO C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cnn(C)c1 ZINC001086979746 952993583 /nfs/dbraw/zinc/99/35/83/952993583.db2.gz PPMUUBXCASVLGY-MXASKKJJSA-N 1 1 365.909 1.397 20 30 FDEDMO C=CC[NH2+][C@@H]1CN(C(=O)c2c[nH]cc3ncnc2-3)C[C@H]1c1cnn(C)c1 ZINC001086979697 952993598 /nfs/dbraw/zinc/99/35/98/952993598.db2.gz NFEPZPOJMDEFBY-GOEBONIOSA-N 1 1 351.414 1.075 20 30 FDEDMO C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3cncn3c2)C[C@H]1c1cnn(C)c1 ZINC001086987926 953011481 /nfs/dbraw/zinc/01/14/81/953011481.db2.gz VGJZYZRXXOBMCJ-ZWKOTPCHSA-N 1 1 350.426 1.452 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1c1cnn(C)c1 ZINC001086982214 953034860 /nfs/dbraw/zinc/03/48/60/953034860.db2.gz YXYRXGTVMFUECN-JKSUJKDBSA-N 1 1 362.865 1.413 20 30 FDEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCCCCCC)C[C@H]1O ZINC001196692067 971891927 /nfs/dbraw/zinc/89/19/27/971891927.db2.gz SPXAOCCCZUAIEV-RCCFBDPRSA-N 1 1 353.507 1.589 20 30 FDEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NCC#N)C1 ZINC001087000828 953052718 /nfs/dbraw/zinc/05/27/18/953052718.db2.gz PYLMHRXDKOJMSH-RCCFBDPRSA-N 1 1 358.490 1.091 20 30 FDEDMO CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001087034401 953171993 /nfs/dbraw/zinc/17/19/93/953171993.db2.gz DMPNPDZQBXXEKF-MGPQQGTHSA-N 1 1 363.462 1.480 20 30 FDEDMO CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+][C@@H](C)c1nc(CC)no1 ZINC001087052774 953184012 /nfs/dbraw/zinc/18/40/12/953184012.db2.gz LFQFBPHGRSOHEB-NUEKZKHPSA-N 1 1 360.458 1.560 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCCC)C[C@H]1O ZINC001196791063 971916467 /nfs/dbraw/zinc/91/64/67/971916467.db2.gz XJEPNUXBBBHNEZ-MLHJIOFPSA-N 1 1 354.491 1.336 20 30 FDEDMO C[C@]12CN(C(=O)[C@H]3CCCC(=O)N3)C[C@H]1C[N@@H+](Cc1ccccc1C#N)C2 ZINC001091766286 953288985 /nfs/dbraw/zinc/28/89/85/953288985.db2.gz VHDDXYGBHUKZNT-OPYAIIAOSA-N 1 1 366.465 1.507 20 30 FDEDMO C=CCOc1ccccc1C(=O)N1C[C@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@@]2(C)C1 ZINC001091793272 953316626 /nfs/dbraw/zinc/31/66/26/953316626.db2.gz CYNUBIIMXCKVJY-KUDFPVQQSA-N 1 1 371.481 1.909 20 30 FDEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CCOC)C2 ZINC001110124056 953384689 /nfs/dbraw/zinc/38/46/89/953384689.db2.gz ZXSUWJWKMRRHQH-MHORFTMASA-N 1 1 365.518 1.805 20 30 FDEDMO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CCOC)C2 ZINC001110124056 953384704 /nfs/dbraw/zinc/38/47/04/953384704.db2.gz ZXSUWJWKMRRHQH-MHORFTMASA-N 1 1 365.518 1.805 20 30 FDEDMO 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C=C(Br)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCN(C)C3=O)C[C@]2(C)C1 ZINC001091930650 953724923 /nfs/dbraw/zinc/72/49/23/953724923.db2.gz NSUWBPLKSNHZKA-IOASZLSFSA-N 1 1 370.291 1.154 20 30 FDEDMO C[C@]12CN(C(=O)C3(C(N)=O)CC3)C[C@H]1C[N@@H+](Cc1ccccc1C#N)C2 ZINC001091970844 953772194 /nfs/dbraw/zinc/77/21/94/953772194.db2.gz GCMHHRIGDBDRQB-APWZRJJASA-N 1 1 352.438 1.104 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCCN3C3CCCC3)C[C@]2(C)C1 ZINC001091946748 953811476 /nfs/dbraw/zinc/81/14/76/953811476.db2.gz KLPHTMQABKLKPE-LMNJBCLMSA-N 1 1 359.514 1.433 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CCN1c1cncc(C#N)n1 ZINC001091988566 953888987 /nfs/dbraw/zinc/88/89/87/953888987.db2.gz RYZGAAUNSZGFEH-QAPCUYQASA-N 1 1 364.453 1.564 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CCN1c1cncc(C#N)n1 ZINC001091988566 953889001 /nfs/dbraw/zinc/88/90/01/953889001.db2.gz RYZGAAUNSZGFEH-QAPCUYQASA-N 1 1 364.453 1.564 20 30 FDEDMO 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369.469 1.258 20 30 FDEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602935392 553673681 /nfs/dbraw/zinc/67/36/81/553673681.db2.gz LXSIAPMXQSNTON-WMUIEFFTSA-N 1 1 374.485 1.290 20 30 FDEDMO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000602961321 553681342 /nfs/dbraw/zinc/68/13/42/553681342.db2.gz NMGPSPNIUZFOQP-GOSISDBHSA-N 1 1 353.463 1.429 20 30 FDEDMO CO[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@](C)(CO)C1 ZINC000602964281 553681572 /nfs/dbraw/zinc/68/15/72/553681572.db2.gz OFZIFBNKPFBPKW-KZULUSFZSA-N 1 1 363.483 1.909 20 30 FDEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1 ZINC000602987792 553686659 /nfs/dbraw/zinc/68/66/59/553686659.db2.gz RGYYHDGEKVYLPQ-SQWLQELKSA-N 1 1 358.360 1.595 20 30 FDEDMO Cc1cc(C#N)cc(NC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000603031348 553697875 /nfs/dbraw/zinc/69/78/75/553697875.db2.gz ALJKGTKYHZDTAN-SFHVURJKSA-N 1 1 371.485 1.785 20 30 FDEDMO 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ZINC001086618638 938349494 /nfs/dbraw/zinc/34/94/94/938349494.db2.gz CPDVJCSWGUYKSV-HSALFYBXSA-N 1 1 367.493 1.995 20 30 FDEDMO CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1=O ZINC000793987264 938351694 /nfs/dbraw/zinc/35/16/94/938351694.db2.gz RXNXBAUBTUBPOI-RDTXWAMCSA-N 1 1 368.478 1.409 20 30 FDEDMO CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1=O ZINC000793987264 938351699 /nfs/dbraw/zinc/35/16/99/938351699.db2.gz RXNXBAUBTUBPOI-RDTXWAMCSA-N 1 1 368.478 1.409 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)CCc2ccc(CC)cc2)[C@@H](n2ccnn2)C1 ZINC001129428231 938414238 /nfs/dbraw/zinc/41/42/38/938414238.db2.gz VCAYFVFGGBIVGB-UXHICEINSA-N 1 1 365.481 1.838 20 30 FDEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](F)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129453790 938420898 /nfs/dbraw/zinc/42/08/98/938420898.db2.gz JJMZRYARAAVKQK-KSZLIROESA-N 1 1 355.417 1.224 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129453790 938420901 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KROSFVBLPOWQSQ-ZCNNSNEGSA-N 1 1 371.481 1.394 20 30 FDEDMO CCc1nocc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001129822141 938521913 /nfs/dbraw/zinc/52/19/13/938521913.db2.gz HDUJOAXBBATPRN-SJORKVTESA-N 1 1 370.457 1.420 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)c2cnc(CC(C)C)[nH]2)C[C@@H]1n1ccnn1 ZINC001129850043 938527155 /nfs/dbraw/zinc/52/71/55/938527155.db2.gz MBOQRSGNBMEJAT-CVEARBPZSA-N 1 1 357.462 1.431 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001086625679 938533224 /nfs/dbraw/zinc/53/32/24/938533224.db2.gz QWLUVWGHFQVABE-DLBZAZTESA-N 1 1 354.454 1.498 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@H](OCC)C(=C)C)C[C@@H]1n1ccnn1 ZINC001129884850 938539269 /nfs/dbraw/zinc/53/92/69/938539269.db2.gz UFMLHKMLJJEAAA-PMPSAXMXSA-N 1 1 367.881 1.743 20 30 FDEDMO C#CCC1(C(=O)N2C[C@@H]([NH2+]Cc3ocnc3C)[C@@H](n3ccnn3)C2)CCC1 ZINC001129894827 938556007 /nfs/dbraw/zinc/55/60/07/938556007.db2.gz ULFBWBGWDTXXCD-CVEARBPZSA-N 1 1 368.441 1.310 20 30 FDEDMO C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(CCC)[nH]n2)C[C@@H]1n1ccnn1 ZINC001129954180 938575796 /nfs/dbraw/zinc/57/57/96/938575796.db2.gz ASZQEPIAMAQZNG-SJORKVTESA-N 1 1 357.462 1.575 20 30 FDEDMO C=C(C)C[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cnc(C)nc2)[C@@H](n2ccnn2)C1 ZINC001129976224 938600747 /nfs/dbraw/zinc/60/07/47/938600747.db2.gz ITBQNZOOYJNPER-QGTPRVQTSA-N 1 1 369.473 1.521 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1nnc(CC)s1 ZINC000804911929 938604966 /nfs/dbraw/zinc/60/49/66/938604966.db2.gz LIIBRJURUQIZRV-UPJWGTAASA-N 1 1 363.487 1.277 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1nnc(CC)s1 ZINC000804911929 938604967 /nfs/dbraw/zinc/60/49/67/938604967.db2.gz LIIBRJURUQIZRV-UPJWGTAASA-N 1 1 363.487 1.277 20 30 FDEDMO C=CCCC1(C(=O)N2C[C@@H]([NH2+]Cc3cnoc3C)[C@@H](n3ccnn3)C2)CC1 ZINC001129999207 938606859 /nfs/dbraw/zinc/60/68/59/938606859.db2.gz QBYBAXHEOJFTJX-SJORKVTESA-N 1 1 370.457 1.863 20 30 FDEDMO C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)[nH]n2)C[C@@H]1n1ccnn1 ZINC001130015220 938616571 /nfs/dbraw/zinc/61/65/71/938616571.db2.gz NCVBFRXSCUTNAQ-SJORKVTESA-N 1 1 357.462 1.746 20 30 FDEDMO C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@@H]1n1ccnn1 ZINC001130020315 938618869 /nfs/dbraw/zinc/61/88/69/938618869.db2.gz ACPBVTPGOVNBSN-SJORKVTESA-N 1 1 355.446 1.500 20 30 FDEDMO C#CCCCS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000805047843 938651579 /nfs/dbraw/zinc/65/15/79/938651579.db2.gz DDLKAGWLUBSFQG-RTBURBONSA-N 1 1 369.575 1.999 20 30 FDEDMO C#CCCCS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000805047843 938651581 /nfs/dbraw/zinc/65/15/81/938651581.db2.gz DDLKAGWLUBSFQG-RTBURBONSA-N 1 1 369.575 1.999 20 30 FDEDMO C#CCCCS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000805047838 938651663 /nfs/dbraw/zinc/65/16/63/938651663.db2.gz DDLKAGWLUBSFQG-MOPGFXCFSA-N 1 1 369.575 1.999 20 30 FDEDMO C#CCCCS(=O)(=O)N(C)[C@H]1CCCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000805047838 938651665 /nfs/dbraw/zinc/65/16/65/938651665.db2.gz DDLKAGWLUBSFQG-MOPGFXCFSA-N 1 1 369.575 1.999 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CSCCC)n1 ZINC001130186668 938732287 /nfs/dbraw/zinc/73/22/87/938732287.db2.gz JCPWUHHYOHAUAM-KBPBESRZSA-N 1 1 367.519 1.602 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CSCCC)n[nH]1 ZINC001130186668 938732288 /nfs/dbraw/zinc/73/22/88/938732288.db2.gz JCPWUHHYOHAUAM-KBPBESRZSA-N 1 1 367.519 1.602 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)CC)[nH]1 ZINC001130186464 938732443 /nfs/dbraw/zinc/73/24/43/938732443.db2.gz DKBFIVAILADJOD-DRZSPHRISA-N 1 1 355.870 1.682 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CSC(C)C)n1 ZINC001130190645 938735819 /nfs/dbraw/zinc/73/58/19/938735819.db2.gz JDWNJKFJZUPEDQ-STQMWFEESA-N 1 1 353.492 1.211 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CSC(C)C)n[nH]1 ZINC001130190645 938735820 /nfs/dbraw/zinc/73/58/20/938735820.db2.gz JDWNJKFJZUPEDQ-STQMWFEESA-N 1 1 353.492 1.211 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC=CC2)[nH]1 ZINC001130198614 938740767 /nfs/dbraw/zinc/74/07/67/938740767.db2.gz RCQZSVFLZKOQCQ-KBPBESRZSA-N 1 1 365.865 1.602 20 30 FDEDMO CC/C=C/CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C#N)n1 ZINC001130203207 938744936 /nfs/dbraw/zinc/74/49/36/938744936.db2.gz SXQHULSSHWQXDQ-PINBIDLJSA-N 1 1 360.462 1.399 20 30 FDEDMO CC/C=C/CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)C#N)n[nH]1 ZINC001130203207 938744938 /nfs/dbraw/zinc/74/49/38/938744938.db2.gz SXQHULSSHWQXDQ-PINBIDLJSA-N 1 1 360.462 1.399 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(C)(C)C2CC2)n1 ZINC001130207679 938747032 /nfs/dbraw/zinc/74/70/32/938747032.db2.gz LZYJBLRBQSEBRI-GJZGRUSLSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(C)(C)C2CC2)n[nH]1 ZINC001130207679 938747035 /nfs/dbraw/zinc/74/70/35/938747035.db2.gz LZYJBLRBQSEBRI-GJZGRUSLSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC2CC2)[nH]1 ZINC001130212960 938749986 /nfs/dbraw/zinc/74/99/86/938749986.db2.gz MXUMKFPPWONGGN-KBPBESRZSA-N 1 1 363.849 1.049 20 30 FDEDMO C[C@H](F)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC2CC2)n1 ZINC001130213113 938750432 /nfs/dbraw/zinc/75/04/32/938750432.db2.gz UOXCDHRUPRCOBY-QEJZJMRPSA-N 1 1 363.437 1.045 20 30 FDEDMO C[C@H](F)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC2CC2)n[nH]1 ZINC001130213113 938750434 /nfs/dbraw/zinc/75/04/34/938750434.db2.gz UOXCDHRUPRCOBY-QEJZJMRPSA-N 1 1 363.437 1.045 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)SC)[nH]1 ZINC001130200839 938754504 /nfs/dbraw/zinc/75/45/04/938754504.db2.gz YBRYHFNGKXGNKY-IHRRRGAJSA-N 1 1 365.503 1.048 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(F)=C2CCCC2)[nH]1 ZINC001130202596 938755118 /nfs/dbraw/zinc/75/51/18/938755118.db2.gz FHPARYOXACYDDR-KBPBESRZSA-N 1 1 361.421 1.314 20 30 FDEDMO C[C@H](C#N)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCC(C)(C)C)n[nH]1 ZINC001130202524 938755128 /nfs/dbraw/zinc/75/51/28/938755128.db2.gz ALBAQFSKHPDUOG-RDBSUJKOSA-N 1 1 362.478 1.479 20 30 FDEDMO C[C@H](C#N)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCC(C)(C)C)n1 ZINC001130202524 938755131 /nfs/dbraw/zinc/75/51/31/938755131.db2.gz ALBAQFSKHPDUOG-RDBSUJKOSA-N 1 1 362.478 1.479 20 30 FDEDMO C=CCOCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C(C)C)n[nH]1 ZINC001130202780 938755394 /nfs/dbraw/zinc/75/53/94/938755394.db2.gz KOMKTTQPEWTPRX-GJZGRUSLSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCOCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C(C)C)n1 ZINC001130202780 938755395 /nfs/dbraw/zinc/75/53/95/938755395.db2.gz KOMKTTQPEWTPRX-GJZGRUSLSA-N 1 1 365.478 1.274 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]23C[C@H]2CCCC3)n1 ZINC001130239862 938755877 /nfs/dbraw/zinc/75/58/77/938755877.db2.gz AQTCJJXFQDVXRB-NARAOEGZSA-N 1 1 371.485 1.487 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@]23C[C@H]2CCCC3)n[nH]1 ZINC001130239862 938755878 /nfs/dbraw/zinc/75/58/78/938755878.db2.gz AQTCJJXFQDVXRB-NARAOEGZSA-N 1 1 371.485 1.487 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccsn2)n1 ZINC001130220850 938756452 /nfs/dbraw/zinc/75/64/52/938756452.db2.gz OLKLHVMCKHONNR-AAEUAGOBSA-N 1 1 362.459 1.229 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccsn2)n[nH]1 ZINC001130220850 938756453 /nfs/dbraw/zinc/75/64/53/938756453.db2.gz OLKLHVMCKHONNR-AAEUAGOBSA-N 1 1 362.459 1.229 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)n1 ZINC001130225242 938759866 /nfs/dbraw/zinc/75/98/66/938759866.db2.gz YULHKKRENLADQR-ZIUCBDDQSA-N 1 1 359.474 1.505 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)n[nH]1 ZINC001130225242 938759867 /nfs/dbraw/zinc/75/98/67/938759867.db2.gz YULHKKRENLADQR-ZIUCBDDQSA-N 1 1 359.474 1.505 20 30 FDEDMO 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ASOXOQCEFCSAIH-JDRGJFMNSA-N 1 1 353.854 1.949 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC3=CCCCC3)n[nH]2)O1 ZINC001130768025 940102837 /nfs/dbraw/zinc/10/28/37/940102837.db2.gz ZJYAHCIKMSVWIF-JKSUJKDBSA-N 1 1 357.458 1.754 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cscn3)n[nH]2)O1 ZINC001130769308 940105960 /nfs/dbraw/zinc/10/59/60/940105960.db2.gz BWBRRPPDAMNOBK-WCQYABFASA-N 1 1 360.443 1.024 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc[nH]c3C)n[nH]2)O1 ZINC001130772361 940111566 /nfs/dbraw/zinc/11/15/66/940111566.db2.gz JACMHABYGRXGSM-DZGCQCFKSA-N 1 1 358.446 1.757 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CC(F)(F)C3)n[nH]2)O1 ZINC001130776449 940125080 /nfs/dbraw/zinc/12/50/80/940125080.db2.gz FMENGIVAULOXFV-QWHCGFSZSA-N 1 1 367.400 1.299 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3csnc3C)n[nH]2)O1 ZINC001130776976 940127598 /nfs/dbraw/zinc/12/75/98/940127598.db2.gz PEMOGRDMSUNDJN-WCQYABFASA-N 1 1 362.459 1.495 20 30 FDEDMO 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VBUBYJCLNSLBIG-SOAMZJECSA-N 1 1 369.469 1.724 20 30 FDEDMO C#C[C@H](NC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCO1 ZINC000773197395 958327587 /nfs/dbraw/zinc/32/75/87/958327587.db2.gz JUOBGJNZVYYODL-IHPCNDPISA-N 1 1 370.497 1.677 20 30 FDEDMO CCCc1nc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)no1 ZINC001093721663 958594843 /nfs/dbraw/zinc/59/48/43/958594843.db2.gz BRBWHMHPHSBOQQ-CHWSQXEVSA-N 1 1 356.430 1.720 20 30 FDEDMO C#C[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000775783548 972379465 /nfs/dbraw/zinc/37/94/65/972379465.db2.gz CCAYKLRIVWZQEB-MNEFBYGVSA-N 1 1 357.454 1.621 20 30 FDEDMO C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001197724516 972394808 /nfs/dbraw/zinc/39/48/08/972394808.db2.gz SZNLRZTVQWSVKV-BRWVUGGUSA-N 1 1 351.878 1.593 20 30 FDEDMO C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3noc(C4CC4)n3)[C@H](C)C2)c1 ZINC001094027693 959549026 /nfs/dbraw/zinc/54/90/26/959549026.db2.gz BHUGOHQLYKHSGH-CXAGYDPISA-N 1 1 365.437 1.821 20 30 FDEDMO C[C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001094054979 959643325 /nfs/dbraw/zinc/64/33/25/959643325.db2.gz ABJHUSLRAAVCCY-CHWSQXEVSA-N 1 1 358.471 1.555 20 30 FDEDMO C[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001094054979 959643336 /nfs/dbraw/zinc/64/33/36/959643336.db2.gz ABJHUSLRAAVCCY-CHWSQXEVSA-N 1 1 358.471 1.555 20 30 FDEDMO C#C[C@H]([NH2+]CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1)[C@@H]1CCCO1 ZINC000775790579 972459080 /nfs/dbraw/zinc/45/90/80/972459080.db2.gz QBPJMGRVTVVQKO-HOTGVXAUSA-N 1 1 368.441 1.296 20 30 FDEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C(=O)NC)c1 ZINC001110495626 972481102 /nfs/dbraw/zinc/48/11/02/972481102.db2.gz CVIYNNMEYWIBEI-DCXXXQMHSA-N 1 1 371.481 1.595 20 30 FDEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C(=O)NC)c1 ZINC001110495626 972481105 /nfs/dbraw/zinc/48/11/05/972481105.db2.gz CVIYNNMEYWIBEI-DCXXXQMHSA-N 1 1 371.481 1.595 20 30 FDEDMO 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360.477 1.750 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCCC[C@H]3C)C[C@H]21 ZINC001026054267 793014565 /nfs/dbraw/zinc/01/45/65/793014565.db2.gz LYKIVMJHXHNRNO-VMENWCDDSA-N 1 1 361.486 1.025 20 30 FDEDMO N#CCOc1ccc(CNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000377912478 793059316 /nfs/dbraw/zinc/05/93/16/793059316.db2.gz NYGDQNAMGJMUCN-GOSISDBHSA-N 1 1 372.469 1.985 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N(CC)CC)C[C@H]21 ZINC001114950116 793417634 /nfs/dbraw/zinc/41/76/34/793417634.db2.gz VDLVYXYLGAJHPI-APWQULEDSA-N 1 1 363.502 1.273 20 30 FDEDMO C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001087425618 806267223 /nfs/dbraw/zinc/26/72/23/806267223.db2.gz HNCCZHHGYPZDIR-IAGOWNOFSA-N 1 1 355.442 1.534 20 30 FDEDMO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CCN(Cc2ccncc2)CC1 ZINC000378299537 793913331 /nfs/dbraw/zinc/91/33/31/793913331.db2.gz PQAIEBWQKWDOTP-FQEVSTJZSA-N 1 1 355.486 1.786 20 30 FDEDMO 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CXUAOSUQKYDNQN-GBESFXJTSA-N 1 1 366.550 1.782 20 30 FDEDMO C=C(CNC(=O)[C@H]1CCN1C(C)(C)C)CNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000898986331 845579802 /nfs/dbraw/zinc/57/98/02/845579802.db2.gz ABKRXNBFBNYSNX-HZPDHXFCSA-N 1 1 364.534 1.521 20 30 FDEDMO C=C(CNC(=O)[C@H]1CCN1C(C)(C)C)CNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000898986331 845579817 /nfs/dbraw/zinc/57/98/17/845579817.db2.gz ABKRXNBFBNYSNX-HZPDHXFCSA-N 1 1 364.534 1.521 20 30 FDEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3C#N)[C@@H]2C)C1 ZINC001088815313 845758511 /nfs/dbraw/zinc/75/85/11/845758511.db2.gz JJOOUKAEIGGHEJ-LSTHTHJFSA-N 1 1 370.497 1.746 20 30 FDEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3C#N)[C@@H]2C)C1 ZINC001088815313 845758514 /nfs/dbraw/zinc/75/85/14/845758514.db2.gz JJOOUKAEIGGHEJ-LSTHTHJFSA-N 1 1 370.497 1.746 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088823289 846360287 /nfs/dbraw/zinc/36/02/87/846360287.db2.gz FCSNMIVVFKSQGE-ABAIWWIYSA-N 1 1 355.373 1.173 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088823289 846360295 /nfs/dbraw/zinc/36/02/95/846360295.db2.gz FCSNMIVVFKSQGE-ABAIWWIYSA-N 1 1 355.373 1.173 20 30 FDEDMO N#Cc1ccc([C@@H]2CN(C(=S)NCCC[NH+]3CCOCC3)CCO2)cc1 ZINC000899635261 846521223 /nfs/dbraw/zinc/52/12/23/846521223.db2.gz IIACSPWAHGDTEH-SFHVURJKSA-N 1 1 374.510 1.528 20 30 FDEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)c(C)c2)C[C@@H]1O ZINC001083535678 846921894 /nfs/dbraw/zinc/92/18/94/846921894.db2.gz FQYOXWRCIYRHFV-AABGKKOBSA-N 1 1 355.482 1.062 20 30 FDEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(=O)[nH]c3)[C@@H]2C1 ZINC001076055915 847175109 /nfs/dbraw/zinc/17/51/09/847175109.db2.gz VOCNGHCSTOFOEN-RBUKOAKNSA-N 1 1 362.433 1.934 20 30 FDEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(=O)[nH]c3)[C@@H]2C1 ZINC001076055915 847175113 /nfs/dbraw/zinc/17/51/13/847175113.db2.gz VOCNGHCSTOFOEN-RBUKOAKNSA-N 1 1 362.433 1.934 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCN(CC)C4=O)C[C@H]32)cc1 ZINC001076119716 847315588 /nfs/dbraw/zinc/31/55/88/847315588.db2.gz SRPJHIVMZWGEKZ-GBESFXJTSA-N 1 1 351.450 1.435 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccn(C)c4CC)[C@@H]3C2)C1=O ZINC001076242634 847665567 /nfs/dbraw/zinc/66/55/67/847665567.db2.gz MANFMFYIOGVSKV-KFKAGJAMSA-N 1 1 370.497 1.521 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(OC)ccn3)C[C@H]21 ZINC001076262465 847718522 /nfs/dbraw/zinc/71/85/22/847718522.db2.gz DTLACCUQCXROKB-PIKADFDJSA-N 1 1 357.454 1.714 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(OC)ccn3)C[C@H]21 ZINC001076262465 847718524 /nfs/dbraw/zinc/71/85/24/847718524.db2.gz DTLACCUQCXROKB-PIKADFDJSA-N 1 1 357.454 1.714 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(OC)nn3)C[C@H]21 ZINC001076262827 847720287 /nfs/dbraw/zinc/72/02/87/847720287.db2.gz ZUHKFLZDHXRUBJ-SVGFKBNWSA-N 1 1 358.442 1.109 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OC)nn3)C[C@H]21 ZINC001076262827 847720297 /nfs/dbraw/zinc/72/02/97/847720297.db2.gz ZUHKFLZDHXRUBJ-SVGFKBNWSA-N 1 1 358.442 1.109 20 30 FDEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](CCc4cccs4)C[C@H]32)nn1 ZINC001076336305 847883336 /nfs/dbraw/zinc/88/33/36/847883336.db2.gz ROJLKCOHJVNGGR-WMLDXEAASA-N 1 1 357.483 1.915 20 30 FDEDMO Cn1ncc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(OCC#N)cc4)C[C@H]32)n1 ZINC001076358524 847971556 /nfs/dbraw/zinc/97/15/56/847971556.db2.gz GJWCZPRUUGDQOC-MAUKXSAKSA-N 1 1 366.425 1.064 20 30 FDEDMO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccncn3)[C@@H]2C1 ZINC001076372244 847987341 /nfs/dbraw/zinc/98/73/41/847987341.db2.gz RLPDVFBJQHAGCA-MAUKXSAKSA-N 1 1 363.421 1.703 20 30 FDEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@@H]2CCN(C(=O)c3ccncn3)[C@@H]2C1 ZINC001076372244 847987347 /nfs/dbraw/zinc/98/73/47/847987347.db2.gz RLPDVFBJQHAGCA-MAUKXSAKSA-N 1 1 363.421 1.703 20 30 FDEDMO Cc1nonc1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001076415281 848088716 /nfs/dbraw/zinc/08/87/16/848088716.db2.gz IADGTPDMZUFHIE-KBXCAEBGSA-N 1 1 369.400 1.664 20 30 FDEDMO Cc1nonc1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001076415281 848088721 /nfs/dbraw/zinc/08/87/21/848088721.db2.gz IADGTPDMZUFHIE-KBXCAEBGSA-N 1 1 369.400 1.664 20 30 FDEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001076438464 848138860 /nfs/dbraw/zinc/13/88/60/848138860.db2.gz BPALYRVGKWXJTJ-IXDOHACOSA-N 1 1 354.516 1.700 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cnn(C(C)C)c4)[C@@H]3C2)C1=O ZINC001076451930 848162904 /nfs/dbraw/zinc/16/29/04/848162904.db2.gz TZIZQVPVJBGEJY-CGTJXYLNSA-N 1 1 371.485 1.397 20 30 FDEDMO C=C[C@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21)c1ccccc1 ZINC001076599259 848535407 /nfs/dbraw/zinc/53/54/07/848535407.db2.gz IJEDGBSDKOWVGZ-YTQUADARSA-N 1 1 353.466 1.768 20 30 FDEDMO C=C[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21)c1ccccc1 ZINC001076599259 848535411 /nfs/dbraw/zinc/53/54/11/848535411.db2.gz IJEDGBSDKOWVGZ-YTQUADARSA-N 1 1 353.466 1.768 20 30 FDEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4cncc(C)c4)C[C@H]32)CC1 ZINC001076604419 848552601 /nfs/dbraw/zinc/55/26/01/848552601.db2.gz DUAOMQJSAMJHKB-LEWJYISDSA-N 1 1 366.509 1.768 20 30 FDEDMO CN1C[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)CCC1=O ZINC001076609493 848563192 /nfs/dbraw/zinc/56/31/92/848563192.db2.gz NLRFSPDIRGQGCE-IPMKNSEASA-N 1 1 366.465 1.459 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001076754967 848974076 /nfs/dbraw/zinc/97/40/76/848974076.db2.gz CRGNVRGAJRNEBX-APAFKAMOSA-N 1 1 357.498 1.697 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001076754967 848974079 /nfs/dbraw/zinc/97/40/79/848974079.db2.gz CRGNVRGAJRNEBX-APAFKAMOSA-N 1 1 357.498 1.697 20 30 FDEDMO CC#CCCNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000483041545 849178886 /nfs/dbraw/zinc/17/88/86/849178886.db2.gz NWXASTBMMZYVRL-SFHVURJKSA-N 1 1 356.470 1.597 20 30 FDEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CC3(Cl)Cl)C[C@H]2O)[nH]1 ZINC001076898284 849282000 /nfs/dbraw/zinc/28/20/00/849282000.db2.gz BMZZJFTZMDUKNP-ZWKOPEQDSA-N 1 1 357.241 1.245 20 30 FDEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CC3(Cl)Cl)C[C@H]2O)[nH]1 ZINC001076898284 849282023 /nfs/dbraw/zinc/28/20/23/849282023.db2.gz BMZZJFTZMDUKNP-ZWKOPEQDSA-N 1 1 357.241 1.245 20 30 FDEDMO COc1ccccc1CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076898334 849282690 /nfs/dbraw/zinc/28/26/90/849282690.db2.gz DHNIBGRYCCYKRQ-QZTJIDSGSA-N 1 1 368.437 1.303 20 30 FDEDMO Cc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cc1 ZINC001076890446 849287671 /nfs/dbraw/zinc/28/76/71/849287671.db2.gz ZXPSUFMXLFZZPX-QZTJIDSGSA-N 1 1 354.410 1.049 20 30 FDEDMO Cc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cc1 ZINC001076890446 849287680 /nfs/dbraw/zinc/28/76/80/849287680.db2.gz ZXPSUFMXLFZZPX-QZTJIDSGSA-N 1 1 354.410 1.049 20 30 FDEDMO COc1cccc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c1 ZINC001076906019 849300157 /nfs/dbraw/zinc/30/01/57/849300157.db2.gz KDBYQOHUKKSLHY-RTBURBONSA-N 1 1 368.437 1.303 20 30 FDEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3cnc4cc[nH]c4c3)[C@@H](O)C2)c1 ZINC001083558216 849442593 /nfs/dbraw/zinc/44/25/93/849442593.db2.gz XTZOLPZVJFBEIH-MOPGFXCFSA-N 1 1 361.405 1.410 20 30 FDEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)c3cnc4cc[nH]c4c3)[C@@H](O)C2)c1 ZINC001083558216 849442601 /nfs/dbraw/zinc/44/26/01/849442601.db2.gz XTZOLPZVJFBEIH-MOPGFXCFSA-N 1 1 361.405 1.410 20 30 FDEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cc(OC)ccc2OC)C1 ZINC001076988639 849484394 /nfs/dbraw/zinc/48/43/94/849484394.db2.gz KQJLFLNCZIFGMT-JCHJZTRSSA-N 1 1 374.481 1.935 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1O ZINC001077018202 849550942 /nfs/dbraw/zinc/55/09/42/849550942.db2.gz RQTWGVFWKGCFFX-MKXGPGLRSA-N 1 1 360.454 1.208 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1O ZINC001077018202 849550949 /nfs/dbraw/zinc/55/09/49/849550949.db2.gz RQTWGVFWKGCFFX-MKXGPGLRSA-N 1 1 360.454 1.208 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1O ZINC001077016383 849567282 /nfs/dbraw/zinc/56/72/82/849567282.db2.gz LWNLNRPVHOUNMW-AFYVEPGGSA-N 1 1 369.465 1.810 20 30 FDEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)C[C@H]1O ZINC001077159116 849955498 /nfs/dbraw/zinc/95/54/98/849955498.db2.gz PGAXCYGACJHEQQ-CEXWTWQISA-N 1 1 361.530 1.462 20 30 FDEDMO CC(C)(C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O)c1cccnc1 ZINC001077272852 850344905 /nfs/dbraw/zinc/34/49/05/850344905.db2.gz QMYVYRLYVJISGZ-RTBURBONSA-N 1 1 364.449 1.592 20 30 FDEDMO CC(C)(C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O)c1cccnc1 ZINC001077272852 850344912 /nfs/dbraw/zinc/34/49/12/850344912.db2.gz QMYVYRLYVJISGZ-RTBURBONSA-N 1 1 364.449 1.592 20 30 FDEDMO 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C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3cc(C)co3)C[C@]2(C)C1 ZINC000993282030 876797660 /nfs/dbraw/zinc/79/76/60/876797660.db2.gz BBEUDRHUPAXXFB-WWMYMODYSA-N 1 1 369.465 1.606 20 30 FDEDMO CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1C#N ZINC000272291848 876930428 /nfs/dbraw/zinc/93/04/28/876930428.db2.gz FIDRNWKCWDSBIE-YOEHRIQHSA-N 1 1 370.453 1.837 20 30 FDEDMO C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2n[nH]cc2Br)C[C@H]1C ZINC001106773876 877723716 /nfs/dbraw/zinc/72/37/16/877723716.db2.gz LXUYALOBGQNEBX-VXGBXAGGSA-N 1 1 371.279 1.673 20 30 FDEDMO C=C1CC(C)(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@@]3(C)C2)C1 ZINC000993393435 877847259 /nfs/dbraw/zinc/84/72/59/877847259.db2.gz AAMJRAPPYSWMCK-LHUKNYEISA-N 1 1 359.514 1.990 20 30 FDEDMO C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2c[nH+]cc2C)C3)c1 ZINC001004210110 878502929 /nfs/dbraw/zinc/50/29/29/878502929.db2.gz FOUMKGCRLOBOJH-KURKYZTESA-N 1 1 363.421 1.130 20 30 FDEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3nc(Cl)sc3Cl)[C@H]2C1 ZINC001083162264 912359370 /nfs/dbraw/zinc/35/93/70/912359370.db2.gz OKFLWVCHCWAGDA-VHSXEESVSA-N 1 1 360.266 1.998 20 30 FDEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3nc(Cl)sc3Cl)[C@H]2C1 ZINC001083162264 912359389 /nfs/dbraw/zinc/35/93/89/912359389.db2.gz OKFLWVCHCWAGDA-VHSXEESVSA-N 1 1 360.266 1.998 20 30 FDEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCOc4ccccc43)[C@H]2C1 ZINC001083163844 912369032 /nfs/dbraw/zinc/36/90/32/912369032.db2.gz ZIVMVGHCKRWCGJ-IMFGXOCKSA-N 1 1 354.450 1.878 20 30 FDEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCN2c2cccc(F)c2C#N)O1 ZINC001061472647 878976095 /nfs/dbraw/zinc/97/60/95/878976095.db2.gz GMIZFYPDBGJYRB-QWQRMKEZSA-N 1 1 360.433 1.501 20 30 FDEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCN2c2cccc(F)c2C#N)O1 ZINC001061472647 878976098 /nfs/dbraw/zinc/97/60/98/878976098.db2.gz GMIZFYPDBGJYRB-QWQRMKEZSA-N 1 1 360.433 1.501 20 30 FDEDMO C=CCn1c(-c2cccnc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282368975 879174668 /nfs/dbraw/zinc/17/46/68/879174668.db2.gz UHXLTNNGFCCIHY-INIZCTEOSA-N 1 1 354.458 1.685 20 30 FDEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]21 ZINC001083168957 912435357 /nfs/dbraw/zinc/43/53/57/912435357.db2.gz VVPJCDJHOHNGJW-SLFFLAALSA-N 1 1 368.481 1.454 20 30 FDEDMO C#CCN1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CC1 ZINC000922878853 879596785 /nfs/dbraw/zinc/59/67/85/879596785.db2.gz YKRBOPDKAHFHRK-HKUYNNGSSA-N 1 1 355.486 1.471 20 30 FDEDMO C#CCN1CCC(NC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CC1 ZINC000922878853 879596793 /nfs/dbraw/zinc/59/67/93/879596793.db2.gz YKRBOPDKAHFHRK-HKUYNNGSSA-N 1 1 355.486 1.471 20 30 FDEDMO COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C[C@H]1C ZINC001106833228 879721529 /nfs/dbraw/zinc/72/15/29/879721529.db2.gz PMYXQBHEPVOVPD-CRAIPNDOSA-N 1 1 367.453 1.419 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001004534960 879810341 /nfs/dbraw/zinc/81/03/41/879810341.db2.gz CRLIFBQDWNBISS-KSZLIROESA-N 1 1 363.502 1.415 20 30 FDEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@H]2OC)C1 ZINC000946635414 879957275 /nfs/dbraw/zinc/95/72/75/879957275.db2.gz POORBCBMZZCLPQ-BRWVUGGUSA-N 1 1 363.502 1.559 20 30 FDEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(CC)c3)C[C@@H]2O)nn1 ZINC001083843779 879966234 /nfs/dbraw/zinc/96/62/34/879966234.db2.gz YWVVCMGXLGEPAF-AEFFLSMTSA-N 1 1 355.442 1.002 20 30 FDEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(CC)c3)C[C@@H]2O)nn1 ZINC001083843779 879966240 /nfs/dbraw/zinc/96/62/40/879966240.db2.gz YWVVCMGXLGEPAF-AEFFLSMTSA-N 1 1 355.442 1.002 20 30 FDEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCCc3cccc(C)c3)C[C@@H]2O)nn1 ZINC001083843305 879972347 /nfs/dbraw/zinc/97/23/47/879972347.db2.gz AXHLTLFLHYMEEX-MJGOQNOKSA-N 1 1 369.469 1.180 20 30 FDEDMO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000993867825 880028195 /nfs/dbraw/zinc/02/81/95/880028195.db2.gz DZWGNAISMRZUTF-IJEWVQPXSA-N 1 1 357.458 1.195 20 30 FDEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1 ZINC000993907344 880111715 /nfs/dbraw/zinc/11/17/15/880111715.db2.gz CFTFTRMBYRNGNP-IIDMSEBBSA-N 1 1 371.485 1.585 20 30 FDEDMO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000993909783 880118416 /nfs/dbraw/zinc/11/84/16/880118416.db2.gz AZEPPAFTALEXBL-FXUDXRNXSA-N 1 1 371.485 1.441 20 30 FDEDMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)C1 ZINC000993910376 880119870 /nfs/dbraw/zinc/11/98/70/880119870.db2.gz YROKMWBFDOIBKD-RRFJBIMHSA-N 1 1 357.458 1.052 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)CC[N@H+]1C ZINC000993910754 880121553 /nfs/dbraw/zinc/12/15/53/880121553.db2.gz OSUMOGMMWQSXQK-AHEZYBDSSA-N 1 1 371.485 1.441 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2cc[nH]c2CC)[C@H](C)C1 ZINC000993960385 880176394 /nfs/dbraw/zinc/17/63/94/880176394.db2.gz GLOMJKDHYQFLIA-MDZRGWNJSA-N 1 1 370.497 1.499 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2cc[nH]c2CC)[C@H](C)C1 ZINC000993960385 880176398 /nfs/dbraw/zinc/17/63/98/880176398.db2.gz GLOMJKDHYQFLIA-MDZRGWNJSA-N 1 1 370.497 1.499 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(C)=C2CCC2)C[C@H]1C ZINC000994193752 880982545 /nfs/dbraw/zinc/98/25/45/880982545.db2.gz NHPZINHCIJQTDX-LZQZEXGQSA-N 1 1 357.498 1.795 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(C)=C2CCC2)C[C@H]1C ZINC000994193752 880982550 /nfs/dbraw/zinc/98/25/50/880982550.db2.gz NHPZINHCIJQTDX-LZQZEXGQSA-N 1 1 357.498 1.795 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cc[nH]c2C)C[C@H]1C ZINC000994194781 880986667 /nfs/dbraw/zinc/98/66/67/880986667.db2.gz SECASLXBIPLQJX-KYJSFNMBSA-N 1 1 356.470 1.245 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cc[nH]c2C)C[C@H]1C ZINC000994194781 880986676 /nfs/dbraw/zinc/98/66/76/880986676.db2.gz SECASLXBIPLQJX-KYJSFNMBSA-N 1 1 356.470 1.245 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(C)(C)C(C)C)C[C@H]1C ZINC000994204664 881030695 /nfs/dbraw/zinc/03/06/95/881030695.db2.gz VICZTMGAGTZZHJ-KURKYZTESA-N 1 1 361.530 1.977 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(C)(C)C(C)C)C[C@H]1C ZINC000994204664 881030718 /nfs/dbraw/zinc/03/07/18/881030718.db2.gz VICZTMGAGTZZHJ-KURKYZTESA-N 1 1 361.530 1.977 20 30 FDEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)c(C)c3)C[C@@H]2O)nn1 ZINC001083846692 881188739 /nfs/dbraw/zinc/18/87/39/881188739.db2.gz MYOAWJUKWCOPNB-MJGOQNOKSA-N 1 1 369.469 1.446 20 30 FDEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C)c(C)c3)C[C@@H]2O)nn1 ZINC001083846692 881188742 /nfs/dbraw/zinc/18/87/42/881188742.db2.gz MYOAWJUKWCOPNB-MJGOQNOKSA-N 1 1 369.469 1.446 20 30 FDEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCNc2ccc(C#N)cn2)C1 ZINC000915922621 881234373 /nfs/dbraw/zinc/23/43/73/881234373.db2.gz WEELGDCBSQHSJB-INIZCTEOSA-N 1 1 360.462 1.021 20 30 FDEDMO C#Cc1ccc(C(=O)N2C[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C)[C@H](C)C2)nc1 ZINC000994240501 881242296 /nfs/dbraw/zinc/24/22/96/881242296.db2.gz OJHCFGDFDBOAIF-SZVBFZGTSA-N 1 1 368.481 1.372 20 30 FDEDMO Cc1cc(C=Nn2c(=S)[nH][nH]c2=S)c(C)n1CC[NH+]1CCOCC1 ZINC000915955435 881248474 /nfs/dbraw/zinc/24/84/74/881248474.db2.gz CRZYUQBBYCQSBL-UHFFFAOYSA-N 1 1 366.516 1.488 20 30 FDEDMO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000916014266 881306553 /nfs/dbraw/zinc/30/65/53/881306553.db2.gz CDLQYFAULWIXCQ-QGZVFWFLSA-N 1 1 365.499 1.441 20 30 FDEDMO C=CC[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)C(C)C ZINC000917168539 883160332 /nfs/dbraw/zinc/16/03/32/883160332.db2.gz VPOSQPKJPWPZOJ-UHFFFAOYSA-N 1 1 359.470 1.672 20 30 FDEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001033905512 883435930 /nfs/dbraw/zinc/43/59/30/883435930.db2.gz APFRKHUINRIEDW-OTWHNJEPSA-N 1 1 365.518 1.365 20 30 FDEDMO C[C@@H](CCCCNc1nccnc1C#N)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001090164269 883540194 /nfs/dbraw/zinc/54/01/94/883540194.db2.gz RWUIEOLSEUOAPJ-SQWLQELKSA-N 1 1 360.462 1.154 20 30 FDEDMO C[C@@H](CCCCNc1nccnc1C#N)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001090164269 883540211 /nfs/dbraw/zinc/54/02/11/883540211.db2.gz RWUIEOLSEUOAPJ-SQWLQELKSA-N 1 1 360.462 1.154 20 30 FDEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@@H]1O ZINC001083998739 912722507 /nfs/dbraw/zinc/72/25/07/912722507.db2.gz LGHNFWZPKWSKSR-RTWAWAEBSA-N 1 1 364.445 1.451 20 30 FDEDMO C=CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001128817280 883734809 /nfs/dbraw/zinc/73/48/09/883734809.db2.gz ZECLJMURYWMYBW-QRVBRYPASA-N 1 1 369.469 1.189 20 30 FDEDMO Cc1cc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](n3ccnn3)C2)c(C)c1 ZINC001128826258 883749297 /nfs/dbraw/zinc/74/92/97/883749297.db2.gz ZWTOVKAVKBOQPN-UHOSZYNNSA-N 1 1 366.469 1.905 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(CC)s2)C1 ZINC000999429330 912756035 /nfs/dbraw/zinc/75/60/35/912756035.db2.gz 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CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(=O)N2CCC[C@H]2CC)C1 ZINC001086618744 938350340 /nfs/dbraw/zinc/35/03/40/938350340.db2.gz IVCHVKYOZZTPCS-HSALFYBXSA-N 1 1 367.493 1.995 20 30 FDEDMO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(=O)N2CCC[C@H]2CC)C1 ZINC001086618744 938350342 /nfs/dbraw/zinc/35/03/42/938350342.db2.gz IVCHVKYOZZTPCS-HSALFYBXSA-N 1 1 367.493 1.995 20 30 FDEDMO C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001086619128 938354024 /nfs/dbraw/zinc/35/40/24/938354024.db2.gz AIUOISGJMIDVHP-KSZLIROESA-N 1 1 356.470 1.690 20 30 FDEDMO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(=O)N2CC[C@@H](C)C2)C1 ZINC001086619489 938354433 /nfs/dbraw/zinc/35/44/33/938354433.db2.gz SJYBPWFLAJSSGC-NZSAHSFTSA-N 1 1 353.466 1.462 20 30 FDEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(=O)N2CC[C@@H](C)C2)C1 ZINC001086619489 938354434 /nfs/dbraw/zinc/35/44/34/938354434.db2.gz SJYBPWFLAJSSGC-NZSAHSFTSA-N 1 1 353.466 1.462 20 30 FDEDMO 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C=CC[N@@H+]1C[C@@H](NC(=O)COc2cc(F)ccc2F)[C@@H](n2ccnn2)C1 ZINC001129403529 938416545 /nfs/dbraw/zinc/41/65/45/938416545.db2.gz AZBCZKAOMYCWPP-CABCVRRESA-N 1 1 363.368 1.163 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)C(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129404188 938417234 /nfs/dbraw/zinc/41/72/34/938417234.db2.gz NHECFDDXDSQAEP-BBWFWOEESA-N 1 1 363.506 1.895 20 30 FDEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CCOc2cccc(C)c2)[C@@H](n2ccnn2)C1 ZINC001129445113 938417914 /nfs/dbraw/zinc/41/79/14/938417914.db2.gz BKKRTDNYMIOFBL-MOPGFXCFSA-N 1 1 369.469 1.973 20 30 FDEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)COc2cc(C)ccc2C)[C@@H](n2ccnn2)C1 ZINC001129445890 938418834 /nfs/dbraw/zinc/41/88/34/938418834.db2.gz ZAVGGJWKWOTDEQ-MSOLQXFVSA-N 1 1 369.469 1.892 20 30 FDEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](n2ccnn2)C1 ZINC001129445870 938418840 /nfs/dbraw/zinc/41/88/40/938418840.db2.gz XRMHNSJREZURLC-MSOLQXFVSA-N 1 1 356.474 1.937 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2ccc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001129449252 938419435 /nfs/dbraw/zinc/41/94/35/938419435.db2.gz KCFIPAMTMYEQHK-MSOLQXFVSA-N 1 1 370.457 1.148 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001129449252 938419438 /nfs/dbraw/zinc/41/94/38/938419438.db2.gz KCFIPAMTMYEQHK-MSOLQXFVSA-N 1 1 370.457 1.148 20 30 FDEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)c2ccn(C)n2)[C@@H](n2ccnn2)C1 ZINC001129433540 938423016 /nfs/dbraw/zinc/42/30/16/938423016.db2.gz FWVNWEADLKIIHV-SJORKVTESA-N 1 1 359.478 1.637 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)cn2)[C@@H](n2ccnn2)C1 ZINC001129465484 938428505 /nfs/dbraw/zinc/42/85/05/938428505.db2.gz JIFOALGXJMDYRR-MSOLQXFVSA-N 1 1 369.473 1.361 20 30 FDEDMO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC/C=C/CCC)C[C@@H]1n1ccnn1 ZINC001129481471 938434315 /nfs/dbraw/zinc/43/43/15/938434315.db2.gz LUZNDOPHVUGUAU-WFJGZTCRSA-N 1 1 361.490 1.957 20 30 FDEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C)CCOc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129496558 938444056 /nfs/dbraw/zinc/44/40/56/938444056.db2.gz QUUYLPNZTMDSTA-QRQLOZEOSA-N 1 1 369.469 1.911 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CCOc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129496558 938444057 /nfs/dbraw/zinc/44/40/57/938444057.db2.gz QUUYLPNZTMDSTA-QRQLOZEOSA-N 1 1 369.469 1.911 20 30 FDEDMO C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001086623334 938450088 /nfs/dbraw/zinc/45/00/88/938450088.db2.gz YVVXTARIGYCOCA-DLBZAZTESA-N 1 1 370.453 1.041 20 30 FDEDMO C=CCCC(=O)N1C[C@@H]([NH2+]Cc2c(C)onc2CC)[C@@H](n2ccnn2)C1 ZINC001129666679 938478353 /nfs/dbraw/zinc/47/83/53/938478353.db2.gz DYQVDZDBTPJVAH-SJORKVTESA-N 1 1 358.446 1.645 20 30 FDEDMO C#CCCCCC(=O)N1C[C@@H]([NH2+]Cc2conc2CC)[C@@H](n2ccnn2)C1 ZINC001129756917 938501981 /nfs/dbraw/zinc/50/19/81/938501981.db2.gz NGFQBFFJTHFTKC-MSOLQXFVSA-N 1 1 370.457 1.564 20 30 FDEDMO C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2c(C)noc2C)[C@@H](n2ccnn2)C1 ZINC001129795691 938509285 /nfs/dbraw/zinc/50/92/85/938509285.db2.gz MMJOIZXBCUYQTJ-SJORKVTESA-N 1 1 356.430 1.228 20 30 FDEDMO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH]ncc32)C[C@@H]1n1ccnn1 ZINC001129845205 938525302 /nfs/dbraw/zinc/52/53/02/938525302.db2.gz OYGVKKYOIHSATG-OLMNPRSZSA-N 1 1 369.473 1.429 20 30 FDEDMO C=C(C)CCC(=O)N1C[C@@H]([NH2+]Cc2snnc2C)[C@@H](n2ccnn2)C1 ZINC001129879249 938536533 /nfs/dbraw/zinc/53/65/33/938536533.db2.gz YVLCYNDXTZKCTK-KGLIPLIRSA-N 1 1 361.475 1.336 20 30 FDEDMO C=C(C)CCC(=O)N1C[C@@H]([NH2+][C@H](C)c2cnc(C)cn2)[C@@H](n2ccnn2)C1 ZINC001129879081 938536568 /nfs/dbraw/zinc/53/65/68/938536568.db2.gz QPDLPGVTOIGLFS-NXHRZFHOSA-N 1 1 369.473 1.836 20 30 FDEDMO C=C[C@@](C)(CCOC)C(=O)N1C[C@@H]([NH2+]CC(=C)Cl)[C@@H](n2ccnn2)C1 ZINC001129945075 938580454 /nfs/dbraw/zinc/58/04/54/938580454.db2.gz BFEBEGBCJVFHKD-VYDXJSESSA-N 1 1 367.881 1.601 20 30 FDEDMO COc1ccc(CNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)cc1C#N ZINC000804819458 938585849 /nfs/dbraw/zinc/58/58/49/938585849.db2.gz VNACURABUYBRKJ-UHFFFAOYSA-N 1 1 358.442 1.174 20 30 FDEDMO C=C(C)C[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cc(C)no2)[C@@H](n2ccnn2)C1 ZINC001129978126 938593686 /nfs/dbraw/zinc/59/36/86/938593686.db2.gz RSANGXRCHBWOKI-XKQJLSEDSA-N 1 1 358.446 1.719 20 30 FDEDMO C=C[C@H](CC)CC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)nc2)[C@@H](n2ccnn2)C1 ZINC001129978095 938593764 /nfs/dbraw/zinc/59/37/64/938593764.db2.gz QHUIVXWGIZOZBV-NXHRZFHOSA-N 1 1 369.473 1.521 20 30 FDEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ocnc2C)[C@@H](n2ccnn2)C1 ZINC001129976307 938600640 /nfs/dbraw/zinc/60/06/40/938600640.db2.gz LCQWGTGLXYDICG-BMFZPTHFSA-N 1 1 358.446 1.719 20 30 FDEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2nccnc2C)[C@@H](n2ccnn2)C1 ZINC001129976539 938600968 /nfs/dbraw/zinc/60/09/68/938600968.db2.gz QCOYDNAUHYDMJF-OLMNPRSZSA-N 1 1 369.473 1.521 20 30 FDEDMO C#CCCCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000805053476 938654059 /nfs/dbraw/zinc/65/40/59/938654059.db2.gz RFZZPGIMMYKGIP-ZWKOTPCHSA-N 1 1 350.484 1.202 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)on2)n1 ZINC001130181235 938728366 /nfs/dbraw/zinc/72/83/66/938728366.db2.gz BXJZUJBFNSHQEJ-JSGCOSHPSA-N 1 1 360.418 1.069 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)on2)n[nH]1 ZINC001130181235 938728367 /nfs/dbraw/zinc/72/83/67/938728367.db2.gz BXJZUJBFNSHQEJ-JSGCOSHPSA-N 1 1 360.418 1.069 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccs2)n1 ZINC001130181900 938729205 /nfs/dbraw/zinc/72/92/05/938729205.db2.gz WKCHYTDIKWDLIE-STQMWFEESA-N 1 1 361.471 1.834 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccs2)n[nH]1 ZINC001130181900 938729208 /nfs/dbraw/zinc/72/92/08/938729208.db2.gz WKCHYTDIKWDLIE-STQMWFEESA-N 1 1 361.471 1.834 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@]2(C)CC=CCC2)n1 ZINC001130213246 938750396 /nfs/dbraw/zinc/75/03/96/938750396.db2.gz VUOWOKIOUSLBIM-DOXZYTNZSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@]2(C)CC=CCC2)n[nH]1 ZINC001130213246 938750397 /nfs/dbraw/zinc/75/03/97/938750397.db2.gz VUOWOKIOUSLBIM-DOXZYTNZSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2C=CC=CC=C2)n1 ZINC001130215910 938752347 /nfs/dbraw/zinc/75/23/47/938752347.db2.gz HSIGFJZAOONCJZ-HOTGVXAUSA-N 1 1 355.442 1.367 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2C=CC=CC=C2)n[nH]1 ZINC001130215910 938752348 /nfs/dbraw/zinc/75/23/48/938752348.db2.gz HSIGFJZAOONCJZ-HOTGVXAUSA-N 1 1 355.442 1.367 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](CC)SC)n1 ZINC001130200196 938753846 /nfs/dbraw/zinc/75/38/46/938753846.db2.gz CYBLGMRZODRQRC-IHRRRGAJSA-N 1 1 367.519 1.601 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](CC)SC)n[nH]1 ZINC001130200196 938753847 /nfs/dbraw/zinc/75/38/47/938753847.db2.gz CYBLGMRZODRQRC-IHRRRGAJSA-N 1 1 367.519 1.601 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2C=CCCC2)[nH]1 ZINC001130220859 938756409 /nfs/dbraw/zinc/75/64/09/938756409.db2.gz OYJOCXKGLJEAMX-IKGGRYGDSA-N 1 1 371.485 1.653 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCC2(C)C)n1 ZINC001130227715 938761849 /nfs/dbraw/zinc/76/18/49/938761849.db2.gz LNWXUFJDTCOBKL-KKUMJFAQSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CCCC2(C)C)n[nH]1 ZINC001130227715 938761851 /nfs/dbraw/zinc/76/18/51/938761851.db2.gz LNWXUFJDTCOBKL-KKUMJFAQSA-N 1 1 361.490 1.895 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@]2(C)C=CCC2)n1 ZINC001130227791 938761931 /nfs/dbraw/zinc/76/19/31/938761931.db2.gz PEOJRVFBPBJUFG-DOXZYTNZSA-N 1 1 357.458 1.263 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@]2(C)C=CCC2)n[nH]1 ZINC001130227791 938761932 /nfs/dbraw/zinc/76/19/32/938761932.db2.gz PEOJRVFBPBJUFG-DOXZYTNZSA-N 1 1 357.458 1.263 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC2(C)C)n1 ZINC001130230125 938763643 /nfs/dbraw/zinc/76/36/43/938763643.db2.gz NFWDFGAYYPEEGN-KKUMJFAQSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CCC2(C)C)n[nH]1 ZINC001130230125 938763644 /nfs/dbraw/zinc/76/36/44/938763644.db2.gz NFWDFGAYYPEEGN-KKUMJFAQSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C[C@@](C)(CC)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CC)[nH]1 ZINC001130234692 938765826 /nfs/dbraw/zinc/76/58/26/938765826.db2.gz IGBJMITUASQLSG-DOXZYTNZSA-N 1 1 359.474 1.509 20 30 FDEDMO C=C[C@](C)(CC)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130234605 938765852 /nfs/dbraw/zinc/76/58/52/938765852.db2.gz DCUXWBDMDHEJBB-GDZNZVCISA-N 1 1 353.442 1.455 20 30 FDEDMO C=C[C@](C)(CC)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130234605 938765854 /nfs/dbraw/zinc/76/58/54/938765854.db2.gz DCUXWBDMDHEJBB-GDZNZVCISA-N 1 1 353.442 1.455 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CCC(=C)CC2)n1 ZINC001130235049 938766311 /nfs/dbraw/zinc/76/63/11/938766311.db2.gz SKMYBDLKXYRPOD-IRXDYDNUSA-N 1 1 371.485 1.653 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CCC(=C)CC2)n[nH]1 ZINC001130235049 938766313 /nfs/dbraw/zinc/76/63/13/938766313.db2.gz SKMYBDLKXYRPOD-IRXDYDNUSA-N 1 1 371.485 1.653 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)c2ccco2)[nH]1 ZINC001130238151 938767642 /nfs/dbraw/zinc/76/76/42/938767642.db2.gz WBLCBWCXJKCQKU-DZKIICNBSA-N 1 1 371.441 1.303 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2occc2CC)n1 ZINC001130240620 938768774 /nfs/dbraw/zinc/76/87/74/938768774.db2.gz WKJJQPZKXXUMCD-KBPBESRZSA-N 1 1 359.430 1.538 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2occc2CC)n[nH]1 ZINC001130240620 938768775 /nfs/dbraw/zinc/76/87/75/938768775.db2.gz WKJJQPZKXXUMCD-KBPBESRZSA-N 1 1 359.430 1.538 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC23CCCC3)[nH]1 ZINC001130244158 938770312 /nfs/dbraw/zinc/77/03/12/938770312.db2.gz BYWHVFOQLPEAJF-JYJNAYRXSA-N 1 1 371.485 1.487 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C)cc2)n1 ZINC001130245990 938771451 /nfs/dbraw/zinc/77/14/51/938771451.db2.gz ATSXLLVJOPUSFH-HOTGVXAUSA-N 1 1 355.442 1.691 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C)cc2)n[nH]1 ZINC001130245990 938771454 /nfs/dbraw/zinc/77/14/54/938771454.db2.gz ATSXLLVJOPUSFH-HOTGVXAUSA-N 1 1 355.442 1.691 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CC=C)CCCC2)[nH]1 ZINC001130251340 938774442 /nfs/dbraw/zinc/77/44/42/938774442.db2.gz OQQTVOQSISPKJC-HOTGVXAUSA-N 1 1 371.485 1.653 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C23CCC(CC2)CC3)[nH]1 ZINC001130251523 938774832 /nfs/dbraw/zinc/77/48/32/938774832.db2.gz YZSBYZPUWNTGIG-FZTQNYJHSA-N 1 1 371.485 1.487 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCc2ccc(C)o2)[nH]1 ZINC001130251514 938774894 /nfs/dbraw/zinc/77/48/94/938774894.db2.gz YOEGRTFPXJXUBU-HOTGVXAUSA-N 1 1 371.441 1.050 20 30 FDEDMO C=CC[C@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccncc1 ZINC000805815733 938831757 /nfs/dbraw/zinc/83/17/57/938831757.db2.gz UUFJRBHMDFFIRQ-SFHVURJKSA-N 1 1 372.469 1.138 20 30 FDEDMO C=CCOCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001130389360 938833337 /nfs/dbraw/zinc/83/33/37/938833337.db2.gz PDPFJSMAKFGMKO-QOKNQOGYSA-N 1 1 360.458 1.054 20 30 FDEDMO C#CCNC(=O)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001130419627 938848581 /nfs/dbraw/zinc/84/85/81/938848581.db2.gz DMKRXNCMMFLKAW-HLLBOEOZSA-N 1 1 371.485 1.001 20 30 FDEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001130419627 938848585 /nfs/dbraw/zinc/84/85/85/938848585.db2.gz DMKRXNCMMFLKAW-HLLBOEOZSA-N 1 1 371.485 1.001 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2CC)CC1 ZINC000963982180 1013048243 /nfs/dbraw/zinc/04/82/43/1013048243.db2.gz UYSJUPBVYTXJJA-NNIGNNQHSA-N 1 1 359.514 1.921 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2CC)CC1 ZINC000963982180 1013048260 /nfs/dbraw/zinc/04/82/60/1013048260.db2.gz UYSJUPBVYTXJJA-NNIGNNQHSA-N 1 1 359.514 1.921 20 30 FDEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCCc2cn[nH]n2)C[C@H]1c1cn(C)cn1 ZINC001130635019 939937206 /nfs/dbraw/zinc/93/72/06/939937206.db2.gz FPTCKPKOMNAWGC-FUHWJXTLSA-N 1 1 371.489 1.411 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)COCCOCC)C[C@H]1c1cn(C)cn1 ZINC001130736787 940037840 /nfs/dbraw/zinc/03/78/40/940037840.db2.gz OGOSGVMJOFEMCL-GOEBONIOSA-N 1 1 370.881 1.110 20 30 FDEDMO C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(C)(C)F)n[nH]2)O1 ZINC001130749785 940057108 /nfs/dbraw/zinc/05/71/08/940057108.db2.gz QSDSKVGXLBKPAK-QWHCGFSZSA-N 1 1 369.441 1.181 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CCCO3)n[nH]2)O1 ZINC001130753206 940062625 /nfs/dbraw/zinc/06/26/25/940062625.db2.gz WZHZAQJLXNFACV-ZNMIVQPWSA-N 1 1 363.462 1.376 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ncccc3C)n[nH]2)O1 ZINC001130775065 940091999 /nfs/dbraw/zinc/09/19/99/940091999.db2.gz KJIPEIWKQIYQNC-UONOGXRCSA-N 1 1 356.430 1.434 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ncccc3C)n[nH]2)O1 ZINC001130775402 940092336 /nfs/dbraw/zinc/09/23/36/940092336.db2.gz UVCZCUACFHEHDX-LSDHHAIUSA-N 1 1 368.441 1.271 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H](C)OC)n[nH]2)O1 ZINC001130769271 940105837 /nfs/dbraw/zinc/10/58/37/940105837.db2.gz ARJQWAJLOATACM-QLFBSQMISA-N 1 1 365.478 1.622 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)ncn3)n[nH]2)O1 ZINC001130777215 940128412 /nfs/dbraw/zinc/12/84/12/940128412.db2.gz XCBNRSZXBAAXRQ-DZGCQCFKSA-N 1 1 371.445 1.219 20 30 FDEDMO CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c[nH]c(C#N)c3)n[nH]2)O1 ZINC001130777263 940128710 /nfs/dbraw/zinc/12/87/10/940128710.db2.gz ZGHBIVNCQDTMOF-LSDHHAIUSA-N 1 1 371.445 1.544 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CCCOCC3)n[nH]2)O1 ZINC001130781093 940136464 /nfs/dbraw/zinc/13/64/64/940136464.db2.gz NYYXGEYPVZYCPM-SOUVJXGZSA-N 1 1 363.462 1.233 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3C[C@H]3CC(C)(C)C)n[nH]2)O1 ZINC001130783244 940142947 /nfs/dbraw/zinc/14/29/47/940142947.db2.gz RTFNGBRZYKNXHJ-CAOSSQGBSA-N 1 1 373.501 1.936 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(CCC)CCC3)n[nH]2)O1 ZINC001130795879 940148777 /nfs/dbraw/zinc/14/87/77/940148777.db2.gz BTKHUSLDTSRNNF-LSDHHAIUSA-N 1 1 359.474 1.834 20 30 FDEDMO C=C(C)CCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCOC)O2)n1 ZINC001130787283 940155888 /nfs/dbraw/zinc/15/58/88/940155888.db2.gz JAYJYOKHCMQWIR-LSDHHAIUSA-N 1 1 365.478 1.623 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(C4CC4)CC3)n[nH]2)O1 ZINC001130789986 940161710 /nfs/dbraw/zinc/16/17/10/940161710.db2.gz BRLNMCRCLSGSOI-LSDHHAIUSA-N 1 1 359.474 1.997 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(C4CC4)CC3)n[nH]2)O1 ZINC001130790069 940162569 /nfs/dbraw/zinc/16/25/69/940162569.db2.gz GKCQSVXHOBEOBY-LSDHHAIUSA-N 1 1 357.458 1.444 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(C4CC4)CC3)n[nH]2)O1 ZINC001130790333 940164134 /nfs/dbraw/zinc/16/41/34/940164134.db2.gz USASBAWTZIHDGX-LSDHHAIUSA-N 1 1 357.458 1.444 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3C=CCCC3)n[nH]2)O1 ZINC001130792373 940170177 /nfs/dbraw/zinc/17/01/77/940170177.db2.gz AESAWXPAPNHSRC-OWCLPIDISA-N 1 1 357.458 1.610 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCc3cccnc3)n[nH]2)O1 ZINC001130792608 940171576 /nfs/dbraw/zinc/17/15/76/940171576.db2.gz MRASHWAQZJLXCW-JKSUJKDBSA-N 1 1 370.457 1.444 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(C)CC=CC3)n[nH]2)O1 ZINC001130804296 940175943 /nfs/dbraw/zinc/17/59/43/940175943.db2.gz CELOPFVKQRKFKY-LSDHHAIUSA-N 1 1 357.458 1.610 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](OC)C(C)C)n[nH]2)O1 ZINC001130805143 940176925 /nfs/dbraw/zinc/17/69/25/940176925.db2.gz UTZSPWNTSYFGDC-SQWLQELKSA-N 1 1 365.478 1.478 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)c3ccco3)n[nH]2)O1 ZINC001130806347 940180508 /nfs/dbraw/zinc/18/05/08/940180508.db2.gz AFFUTCDUKSISDD-IJEWVQPXSA-N 1 1 371.441 1.651 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)c3ccco3)n[nH]2)O1 ZINC001130807411 940182685 /nfs/dbraw/zinc/18/26/85/940182685.db2.gz WVDYSKPYHAFXSW-OFQRWUPVSA-N 1 1 371.441 1.651 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)n[nH]2)O1 ZINC001130799342 940191175 /nfs/dbraw/zinc/19/11/75/940191175.db2.gz CJGGHOQHXSGVDO-CQJMVSDSSA-N 1 1 359.474 1.853 20 30 FDEDMO 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/nfs/dbraw/zinc/30/34/76/967303476.db2.gz IUIFAMQZJGCCPS-RDJZCZTQSA-N 1 1 356.426 1.848 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(F)cc3C)[C@@H]2C1 ZINC001189879484 967330786 /nfs/dbraw/zinc/33/07/86/967330786.db2.gz FPAVRTGCDZJNMX-RVKKMQEKSA-N 1 1 357.429 1.418 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(F)cc3C)[C@@H]2C1 ZINC001189879484 967330800 /nfs/dbraw/zinc/33/08/00/967330800.db2.gz FPAVRTGCDZJNMX-RVKKMQEKSA-N 1 1 357.429 1.418 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC4CCC4)C[C@H]32)cn1 ZINC001189842961 967341900 /nfs/dbraw/zinc/34/19/00/967341900.db2.gz FPDJKFQKUUCUPF-PKOBYXMFSA-N 1 1 366.465 1.126 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC4CCC4)C[C@H]32)cn1 ZINC001189842961 967341911 /nfs/dbraw/zinc/34/19/11/967341911.db2.gz FPDJKFQKUUCUPF-PKOBYXMFSA-N 1 1 366.465 1.126 20 30 FDEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(C)(C)C)cc3)[C@@H]2C1 ZINC001189912866 967371482 /nfs/dbraw/zinc/37/14/82/967371482.db2.gz 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/nfs/dbraw/zinc/81/70/65/540817065.db2.gz DHIUPNVHRKHALM-UYAOXDASSA-N 1 1 372.513 1.562 20 30 FDEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](Cc2ccccc2)C[C@@H](C)O)CC1 ZINC000538146763 540817067 /nfs/dbraw/zinc/81/70/67/540817067.db2.gz DHIUPNVHRKHALM-UYAOXDASSA-N 1 1 372.513 1.562 20 30 FDEDMO COC(=O)CC[N@@H+]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C)C1 ZINC000538220697 540826564 /nfs/dbraw/zinc/82/65/64/540826564.db2.gz RYKNPWKGXYSEKK-AWEZNQCLSA-N 1 1 369.425 1.677 20 30 FDEDMO COC(=O)CC[N@H+]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C)C1 ZINC000538220697 540826566 /nfs/dbraw/zinc/82/65/66/540826566.db2.gz RYKNPWKGXYSEKK-AWEZNQCLSA-N 1 1 369.425 1.677 20 30 FDEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@]2(C)CCCO)CC1 ZINC000538514446 540865333 /nfs/dbraw/zinc/86/53/33/540865333.db2.gz DMBHGNDRQJVTLX-MJGOQNOKSA-N 1 1 350.507 1.306 20 30 FDEDMO CCN(C(=O)CNc1ccc(C#N)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546911937 542258671 /nfs/dbraw/zinc/25/86/71/542258671.db2.gz CDXSBABAQNUDJL-IBGZPJMESA-N 1 1 363.465 2.488 20 30 FDEDMO N#Cc1ccc2ncc(CNC[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000539516114 540968224 /nfs/dbraw/zinc/96/82/24/540968224.db2.gz WZTXAZSVUBCLSZ-NRFANRHFSA-N 1 1 361.449 1.933 20 30 FDEDMO N#Cc1ccc2ncc(C[NH2+]C[C@@]3(O)CCN(Cc4ccccc4)C3)n2c1 ZINC000539516114 540968226 /nfs/dbraw/zinc/96/82/26/540968226.db2.gz WZTXAZSVUBCLSZ-NRFANRHFSA-N 1 1 361.449 1.933 20 30 FDEDMO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H]4[C@@H]3CCCN4CCO)C2=O)cc1 ZINC000934263993 781941336 /nfs/dbraw/zinc/94/13/36/781941336.db2.gz LGANVAXTSJSHRG-QYZOEREBSA-N 1 1 354.454 1.195 20 30 FDEDMO N#Cc1ccc(N2CC[C@H](N3CC[C@@H]4[C@@H]3CCC[N@H+]4CCO)C2=O)cc1 ZINC000934263993 781941337 /nfs/dbraw/zinc/94/13/37/781941337.db2.gz LGANVAXTSJSHRG-QYZOEREBSA-N 1 1 354.454 1.195 20 30 FDEDMO N#Cc1ccc(N2CC[C@H](N3CC[C@@H]4[C@@H]3CCC[N@@H+]4CCO)C2=O)cc1 ZINC000934263993 781941338 /nfs/dbraw/zinc/94/13/38/781941338.db2.gz LGANVAXTSJSHRG-QYZOEREBSA-N 1 1 354.454 1.195 20 30 FDEDMO C[C@@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C1=CC[N@@H+](C)CC1 ZINC000541896831 541293059 /nfs/dbraw/zinc/29/30/59/541293059.db2.gz JIZRFIPACGTBED-CYBMUJFWSA-N 1 1 350.426 1.706 20 30 FDEDMO CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N(C)CCC#N ZINC000545471730 541979849 /nfs/dbraw/zinc/97/98/49/541979849.db2.gz OUAQJOLDLUQJLL-KRWDZBQOSA-N 1 1 350.488 1.673 20 30 FDEDMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)[C@H](C)C1 ZINC000286165797 183002795 /nfs/dbraw/zinc/00/27/95/183002795.db2.gz JVAQFDBICMHBOY-HLLBOEOZSA-N 1 1 374.460 1.437 20 30 FDEDMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)[C@H](C)C1 ZINC000286165797 183002796 /nfs/dbraw/zinc/00/27/96/183002796.db2.gz JVAQFDBICMHBOY-HLLBOEOZSA-N 1 1 374.460 1.437 20 30 FDEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@H](C(=O)N4CCCC4)C3)C2=O)cc1 ZINC000287558453 183323432 /nfs/dbraw/zinc/32/34/32/183323432.db2.gz WTTCXRPEEFBIFX-PKOBYXMFSA-N 1 1 366.465 1.998 20 30 FDEDMO Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1 ZINC000546919751 542260201 /nfs/dbraw/zinc/26/02/01/542260201.db2.gz PWULCRBJMQMRED-GOSISDBHSA-N 1 1 352.438 1.824 20 30 FDEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000546924055 542261263 /nfs/dbraw/zinc/26/12/63/542261263.db2.gz FQUJGJPMYLVGRT-MRXNPFEDSA-N 1 1 356.474 1.517 20 30 FDEDMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000295117433 184035049 /nfs/dbraw/zinc/03/50/49/184035049.db2.gz VZTGWDQFLZMPOT-FQEVSTJZSA-N 1 1 368.437 1.970 20 30 FDEDMO COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000295927952 184114793 /nfs/dbraw/zinc/11/47/93/184114793.db2.gz CSOUXHWCIKPGIL-CYBMUJFWSA-N 1 1 356.426 1.448 20 30 FDEDMO CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000295945816 184115836 /nfs/dbraw/zinc/11/58/36/184115836.db2.gz DZHQKYUIHBBBAB-CQSZACIVSA-N 1 1 370.453 1.838 20 30 FDEDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000296145489 184134938 /nfs/dbraw/zinc/13/49/38/184134938.db2.gz SWPNPEWVSXWMEI-UHFFFAOYSA-N 1 1 356.467 1.000 20 30 FDEDMO CN(CCCNS(=O)(=O)Cc1ccc(F)cc1C#N)CC[NH+](C)C ZINC000296145489 184134939 /nfs/dbraw/zinc/13/49/39/184134939.db2.gz SWPNPEWVSXWMEI-UHFFFAOYSA-N 1 1 356.467 1.000 20 30 FDEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000298007794 184373768 /nfs/dbraw/zinc/37/37/68/184373768.db2.gz KUGFDBIAHFZQFR-MAUKXSAKSA-N 1 1 356.470 1.705 20 30 FDEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC000972073941 781982653 /nfs/dbraw/zinc/98/26/53/781982653.db2.gz UGCAXSHJBJHLPV-CEXWTWQISA-N 1 1 357.498 1.580 20 30 FDEDMO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)C[C@@H]3CCOC3)CC2)cc1 ZINC000171955622 258270018 /nfs/dbraw/zinc/27/00/18/258270018.db2.gz UMMZJDLOQRXHAW-GOSISDBHSA-N 1 1 363.483 1.432 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)C[C@@H]3CCOC3)CC2)cc1 ZINC000171955622 258270019 /nfs/dbraw/zinc/27/00/19/258270019.db2.gz UMMZJDLOQRXHAW-GOSISDBHSA-N 1 1 363.483 1.432 20 30 FDEDMO C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000549290622 542863105 /nfs/dbraw/zinc/86/31/05/542863105.db2.gz BXHCLKVMHRTCDL-KRWDZBQOSA-N 1 1 371.489 1.237 20 30 FDEDMO C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000549290622 542863109 /nfs/dbraw/zinc/86/31/09/542863109.db2.gz BXHCLKVMHRTCDL-KRWDZBQOSA-N 1 1 371.489 1.237 20 30 FDEDMO COC(=O)CC1CCN(CC#CC[NH+]2CCC(CC(=O)OC)CC2)CC1 ZINC000551382350 543278033 /nfs/dbraw/zinc/27/80/33/543278033.db2.gz UPOPUWUIHMIBJS-UHFFFAOYSA-N 1 1 364.486 1.540 20 30 FDEDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C[C@@H](C)C1 ZINC000551685199 543321750 /nfs/dbraw/zinc/32/17/50/543321750.db2.gz YUBJZCKPTZBJDC-GDZNZVCISA-N 1 1 358.417 1.825 20 30 FDEDMO C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000073350387 172061470 /nfs/dbraw/zinc/06/14/70/172061470.db2.gz OBQQSQBVTAQCEO-FXAWDEMLSA-N 1 1 370.497 1.750 20 30 FDEDMO C[C@@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000073350387 172061472 /nfs/dbraw/zinc/06/14/72/172061472.db2.gz OBQQSQBVTAQCEO-FXAWDEMLSA-N 1 1 370.497 1.750 20 30 FDEDMO C[C@@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000073350387 172061474 /nfs/dbraw/zinc/06/14/74/172061474.db2.gz OBQQSQBVTAQCEO-FXAWDEMLSA-N 1 1 370.497 1.750 20 30 FDEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CC[C@H]21 ZINC000091249296 172282005 /nfs/dbraw/zinc/28/20/05/172282005.db2.gz FOOBCOYZGWWRBA-UKRRQHHQSA-N 1 1 372.473 1.391 20 30 FDEDMO C[NH+](C)C1CCN(CCNS(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000125942721 173023920 /nfs/dbraw/zinc/02/39/20/173023920.db2.gz KWXUOUMWPCNRQK-UHFFFAOYSA-N 1 1 372.441 1.141 20 30 FDEDMO C[C@@H](CNC(=O)N1CCN(c2ccccc2C#N)CC1)C[NH+]1CCOCC1 ZINC000163497798 173794671 /nfs/dbraw/zinc/79/46/71/173794671.db2.gz GWNLZPLLNNPLAG-KRWDZBQOSA-N 1 1 371.485 1.358 20 30 FDEDMO N#Cc1cc(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1Cl ZINC000175973002 174040696 /nfs/dbraw/zinc/04/06/96/174040696.db2.gz MDYQVDBYBKGLNE-CYBMUJFWSA-N 1 1 369.874 1.554 20 30 FDEDMO Cc1cc(N2CCC(NS(=O)(=O)c3ccc(C#N)nc3)CC2)nc(C)[nH+]1 ZINC000178604042 174196263 /nfs/dbraw/zinc/19/62/63/174196263.db2.gz PWRVJXCQTMNEBK-UHFFFAOYSA-N 1 1 372.454 1.307 20 30 FDEDMO C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000553194029 543585042 /nfs/dbraw/zinc/58/50/42/543585042.db2.gz ZEVHWLSAQFUPIZ-PKOBYXMFSA-N 1 1 373.497 1.817 20 30 FDEDMO N#Cc1ccc2ncc(C[NH+]3CCC(C(=O)N4CCOCC4)CC3)n2c1 ZINC000179689423 258356177 /nfs/dbraw/zinc/35/61/77/258356177.db2.gz ZROPDSQASWDBRR-UHFFFAOYSA-N 1 1 353.426 1.277 20 30 FDEDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1 ZINC000173783576 258310223 /nfs/dbraw/zinc/31/02/23/258310223.db2.gz YOLCEGIMFYSGTM-MRXNPFEDSA-N 1 1 358.486 1.986 20 30 FDEDMO N#Cc1cc(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c[nH]1 ZINC000181287177 258378224 /nfs/dbraw/zinc/37/82/24/258378224.db2.gz KFTDOVLWZUWBQJ-INIZCTEOSA-N 1 1 365.437 1.514 20 30 FDEDMO COCC[N@@H+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C ZINC000182751591 258378470 /nfs/dbraw/zinc/37/84/70/258378470.db2.gz DVOGRPPEUFEOQF-QFBILLFUSA-N 1 1 356.470 1.706 20 30 FDEDMO COCC[N@H+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C ZINC000182751591 258378471 /nfs/dbraw/zinc/37/84/71/258378471.db2.gz DVOGRPPEUFEOQF-QFBILLFUSA-N 1 1 356.470 1.706 20 30 FDEDMO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](Cn3cncn3)C2)C1=O ZINC000246616975 258397520 /nfs/dbraw/zinc/39/75/20/258397520.db2.gz YPXJWAMAEGMXDK-UKRRQHHQSA-N 1 1 356.455 1.729 20 30 FDEDMO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](Cn3cncn3)C2)C1=O ZINC000246616975 258397521 /nfs/dbraw/zinc/39/75/21/258397521.db2.gz YPXJWAMAEGMXDK-UKRRQHHQSA-N 1 1 356.455 1.729 20 30 FDEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)CCCOC(C)C)CC2)o1 ZINC000555022769 543903201 /nfs/dbraw/zinc/90/32/01/543903201.db2.gz KDGBYGIPACFQPA-UHFFFAOYSA-N 1 1 363.462 1.250 20 30 FDEDMO C[C@@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000555535014 543967300 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C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)N(C)C)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000970423726 772606862 /nfs/dbraw/zinc/60/68/62/772606862.db2.gz ATSNNNULMMRGJM-ZOCIIQOWSA-N 1 1 371.456 1.338 20 30 FDEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3OC[C@H]4COCC[C@H]43)CC2)cc1 ZINC000289646755 772637350 /nfs/dbraw/zinc/63/73/50/772637350.db2.gz XCGHBMGEHRYGGV-VAMGGRTRSA-N 1 1 369.465 1.644 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3OC[C@H]4COCC[C@H]43)CC2)cc1 ZINC000289646755 772637355 /nfs/dbraw/zinc/63/73/55/772637355.db2.gz XCGHBMGEHRYGGV-VAMGGRTRSA-N 1 1 369.465 1.644 20 30 FDEDMO C[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000970435222 772651408 /nfs/dbraw/zinc/65/14/08/772651408.db2.gz YJLUVAQZGUVGFJ-UPJWGTAASA-N 1 1 360.483 1.458 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cccc(C(=O)NC)c2)C1 ZINC000970446332 772674676 /nfs/dbraw/zinc/67/46/76/772674676.db2.gz DBTPFPWMCCTYPX-ZMYBRWDISA-N 1 1 371.481 1.574 20 30 FDEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](C(=O)OC)[C@@H](c3ccc(F)cc3F)C2)C1=O ZINC000375620978 772742369 /nfs/dbraw/zinc/74/23/69/772742369.db2.gz NAHAPDHFBMNWTK-VYDXJSESSA-N 1 1 364.392 1.940 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](C(=O)OC)[C@@H](c3ccc(F)cc3F)C2)C1=O ZINC000375620978 772742373 /nfs/dbraw/zinc/74/23/73/772742373.db2.gz NAHAPDHFBMNWTK-VYDXJSESSA-N 1 1 364.392 1.940 20 30 FDEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000655883765 772891064 /nfs/dbraw/zinc/89/10/64/772891064.db2.gz QRZCYEAJDQSWPN-IAGOWNOFSA-N 1 1 367.490 1.148 20 30 FDEDMO CCN1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CCCNC2=O)CC1 ZINC000328693209 773524255 /nfs/dbraw/zinc/52/42/55/773524255.db2.gz SBMDCIWHJKHGKS-GOSISDBHSA-N 1 1 373.501 1.947 20 30 FDEDMO C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001211551187 783139116 /nfs/dbraw/zinc/13/91/16/783139116.db2.gz BKJZEPQBNNZTBU-HYVNUMGLSA-N 1 1 354.458 1.822 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1NC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000656183721 774107316 /nfs/dbraw/zinc/10/73/16/774107316.db2.gz XEPAKKUDRMXXGE-WSTZPKSXSA-N 1 1 359.470 1.608 20 30 FDEDMO C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ncnn1CC(F)F ZINC001087136217 774681214 /nfs/dbraw/zinc/68/12/14/774681214.db2.gz ODCNOMZNSKIJTL-UPJWGTAASA-N 1 1 354.405 1.420 20 30 FDEDMO C=CC(C)(C)CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001067501904 774837382 /nfs/dbraw/zinc/83/73/82/774837382.db2.gz XHLQIYLOWWVOPF-HZPDHXFCSA-N 1 1 353.507 1.615 20 30 FDEDMO C=CC(C)(C)CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001067501904 774837389 /nfs/dbraw/zinc/83/73/89/774837389.db2.gz XHLQIYLOWWVOPF-HZPDHXFCSA-N 1 1 353.507 1.615 20 30 FDEDMO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](OC)C2CCCCC2)C1 ZINC001211504314 774984857 /nfs/dbraw/zinc/98/48/57/774984857.db2.gz UMEHCEKNYIHXKY-QGPMSJSTSA-N 1 1 351.491 1.320 20 30 FDEDMO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](OC)C2CCCCC2)C1 ZINC001211504314 774984859 /nfs/dbraw/zinc/98/48/59/774984859.db2.gz UMEHCEKNYIHXKY-QGPMSJSTSA-N 1 1 351.491 1.320 20 30 FDEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNC(=O)c2ccoc2)C1 ZINC001111758566 775549814 /nfs/dbraw/zinc/54/98/14/775549814.db2.gz BHDZZPTYMISIHT-YOEHRIQHSA-N 1 1 351.834 1.733 20 30 FDEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNC(=O)c2ccoc2)C1 ZINC001111758566 775549825 /nfs/dbraw/zinc/54/98/25/775549825.db2.gz BHDZZPTYMISIHT-YOEHRIQHSA-N 1 1 351.834 1.733 20 30 FDEDMO C#Cc1cncc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)c1 ZINC001021802609 775756429 /nfs/dbraw/zinc/75/64/29/775756429.db2.gz GZFKMRVQEQDPIT-IWKCEXAMSA-N 1 1 366.465 1.076 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)CC[N@H+]1C ZINC001021806040 775797926 /nfs/dbraw/zinc/79/79/26/775797926.db2.gz GZGOBHRWIXJYSJ-OXXUSNJHSA-N 1 1 369.469 1.290 20 30 FDEDMO CCn1nc(C)c(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2c[nH]c(C#N)c2)n1 ZINC001087152119 776082897 /nfs/dbraw/zinc/08/28/97/776082897.db2.gz BBQBNAIJEOFOCZ-DYVFJYSZSA-N 1 1 369.473 1.837 20 30 FDEDMO C=CCN(C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000276188394 776599409 /nfs/dbraw/zinc/59/94/09/776599409.db2.gz UOIINGJMTULSDR-UHFFFAOYSA-N 1 1 370.453 1.190 20 30 FDEDMO C=CCn1cccc1C(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001021939261 776750027 /nfs/dbraw/zinc/75/00/27/776750027.db2.gz GIORKTHIMILGGT-LZLYRXPVSA-N 1 1 356.470 1.299 20 30 FDEDMO C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C[N@H+](C)C4CCC4)[C@@H]3C2)nc1 ZINC001021942107 776760639 /nfs/dbraw/zinc/76/06/39/776760639.db2.gz ZYLZXFUMWQJHLL-QFBILLFUSA-N 1 1 366.465 1.220 20 30 FDEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cccn(C(C)(C)C)c3=O)[C@H]2C1 ZINC001083218257 776857411 /nfs/dbraw/zinc/85/74/11/776857411.db2.gz JLOZSSAWIKCQLF-DLBZAZTESA-N 1 1 359.470 1.705 20 30 FDEDMO C=C(C)COCCNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000178019886 776896032 /nfs/dbraw/zinc/89/60/32/776896032.db2.gz UNVDEMFYQARQGJ-UHFFFAOYSA-N 1 1 374.485 1.476 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)[C@@H]3C2)cc1 ZINC000971569290 777670314 /nfs/dbraw/zinc/67/03/14/777670314.db2.gz MZKKSVPKCFCEIV-CEXWTWQISA-N 1 1 351.450 1.435 20 30 FDEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000971570626 777688424 /nfs/dbraw/zinc/68/84/24/777688424.db2.gz MHAJZEAHTKXQIW-QLFBSQMISA-N 1 1 353.894 1.919 20 30 FDEDMO Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)CC2)o1 ZINC000276534837 778027565 /nfs/dbraw/zinc/02/75/65/778027565.db2.gz FJWDAEYEXUNQTO-GUYCJALGSA-N 1 1 359.474 1.870 20 30 FDEDMO C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](C[NH2+]Cc2nnc(C3CC3)n2C)C1 ZINC001087164317 778096733 /nfs/dbraw/zinc/09/67/33/778096733.db2.gz SSGQPRLNLUMOPS-PBHICJAKSA-N 1 1 355.486 1.823 20 30 FDEDMO COc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)c(O)c1OC ZINC000891540138 778257440 /nfs/dbraw/zinc/25/74/40/778257440.db2.gz IPAHKZZIVIKYPH-UHFFFAOYSA-N 1 1 354.410 1.998 20 30 FDEDMO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC000971711107 778764727 /nfs/dbraw/zinc/76/47/27/778764727.db2.gz ZZROLKSLCMWNGR-OWQGQXMQSA-N 1 1 361.417 1.534 20 30 FDEDMO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC000971711107 778764732 /nfs/dbraw/zinc/76/47/32/778764732.db2.gz ZZROLKSLCMWNGR-OWQGQXMQSA-N 1 1 361.417 1.534 20 30 FDEDMO Cc1noc(C[C@@H]2CCC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)n1 ZINC000933575413 778792076 /nfs/dbraw/zinc/79/20/76/778792076.db2.gz AHWJKUYDNJAPDW-KRWDZBQOSA-N 1 1 353.426 1.821 20 30 FDEDMO Cc1noc(C[C@@H]2CCC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)n1 ZINC000933575413 778792081 /nfs/dbraw/zinc/79/20/81/778792081.db2.gz AHWJKUYDNJAPDW-KRWDZBQOSA-N 1 1 353.426 1.821 20 30 FDEDMO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NCCCC ZINC001111489828 778938210 /nfs/dbraw/zinc/93/82/10/778938210.db2.gz MCSRBNRQRZRUDN-VQHPVUNQSA-N 1 1 351.491 1.605 20 30 FDEDMO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NCCCC ZINC001111489828 778938215 /nfs/dbraw/zinc/93/82/15/778938215.db2.gz MCSRBNRQRZRUDN-VQHPVUNQSA-N 1 1 351.491 1.605 20 30 FDEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCc2nc(C#N)cs2)C[C@@H](C)O1 ZINC000891699293 779112525 /nfs/dbraw/zinc/11/25/25/779112525.db2.gz NPPFICYCHAWGGV-VXGBXAGGSA-N 1 1 351.476 1.702 20 30 FDEDMO O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933645524 779258183 /nfs/dbraw/zinc/25/81/83/779258183.db2.gz SCBXBCULRFRPON-UHFFFAOYSA-N 1 1 364.401 1.624 20 30 FDEDMO CO[C@H]1C[C@@H](C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)[N@@H+](C)C1 ZINC000328909663 779337758 /nfs/dbraw/zinc/33/77/58/779337758.db2.gz DVOCUGTXSBDFQV-HOCLYGCPSA-N 1 1 361.442 1.938 20 30 FDEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)C2(CO)CCOCC2)c(OC)c1 ZINC000276762869 779396627 /nfs/dbraw/zinc/39/66/27/779396627.db2.gz JUIRJIADMDUHFE-KRWDZBQOSA-N 1 1 365.470 1.637 20 30 FDEDMO C#Cc1cncc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CCCC[N@@H+]4C)[C@@H]3C2)c1 ZINC001022424167 780028066 /nfs/dbraw/zinc/02/80/66/780028066.db2.gz PUNRYOWZTVWUBI-YTQUADARSA-N 1 1 366.465 1.220 20 30 FDEDMO C[NH+]=C(NCc1ccnc(N2CCN(C)CC2)c1)N1CC[C@]2(CCOC2)C1 ZINC000261984832 780055580 /nfs/dbraw/zinc/05/55/80/780055580.db2.gz PTKOYFGRIYHTMZ-FQEVSTJZSA-N 1 1 372.517 1.021 20 30 FDEDMO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC(F)(C#N)CC2)c(OC)c1 ZINC000510970752 780446163 /nfs/dbraw/zinc/44/61/63/780446163.db2.gz TVNKOKDLTISXFE-AWEZNQCLSA-N 1 1 366.389 1.549 20 30 FDEDMO C=C[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]21)c1ccccc1 ZINC001083282686 790803501 /nfs/dbraw/zinc/80/35/01/790803501.db2.gz OKRUEGKLJRFBGX-CEXWTWQISA-N 1 1 367.453 1.160 20 30 FDEDMO C=C[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]21)c1ccccc1 ZINC001083282686 790803515 /nfs/dbraw/zinc/80/35/15/790803515.db2.gz OKRUEGKLJRFBGX-CEXWTWQISA-N 1 1 367.453 1.160 20 30 FDEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4c([nH]c3=O)CCCC4)[C@H]2C1 ZINC001083231053 780770813 /nfs/dbraw/zinc/77/08/13/780770813.db2.gz HBOCPIQZDAAHEH-ZWKOTPCHSA-N 1 1 355.438 1.215 20 30 FDEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@H]2O)CC1 ZINC001025490949 790843119 /nfs/dbraw/zinc/84/31/19/790843119.db2.gz LEVBGGKFCKASRP-KZNAEPCWSA-N 1 1 363.502 1.295 20 30 FDEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-c4cnco4)c3)[C@H]2C1 ZINC001083238395 781658901 /nfs/dbraw/zinc/65/89/01/781658901.db2.gz BJSNJNPFDXXOEI-PKOBYXMFSA-N 1 1 351.406 1.890 20 30 FDEDMO N#Cc1ccc2c(c1)C[C@@H](NC(=O)NC1CCC([NH+]3CCNCC3)CC1)C2 ZINC000892132817 781702321 /nfs/dbraw/zinc/70/23/21/781702321.db2.gz WDCKJLMUFWMKFI-GPJFCIFZSA-N 1 1 367.497 1.541 20 30 FDEDMO C#Cc1cccc(NC(=O)CNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000277796305 783341649 /nfs/dbraw/zinc/34/16/49/783341649.db2.gz NCACPWPXJOJIOT-SFHVURJKSA-N 1 1 354.454 1.923 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cccc(C)c3)C[C@H]21 ZINC000972835131 783902658 /nfs/dbraw/zinc/90/26/58/783902658.db2.gz OVDUKEDSMCENNG-HSALFYBXSA-N 1 1 365.477 1.766 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cccc(C)c3)C[C@H]21 ZINC000972835131 783902662 /nfs/dbraw/zinc/90/26/62/783902662.db2.gz OVDUKEDSMCENNG-HSALFYBXSA-N 1 1 365.477 1.766 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3(C4CC4)CCC3)C[C@H]21 ZINC000972842653 783924856 /nfs/dbraw/zinc/92/48/56/783924856.db2.gz KSLCWEGVDFRPNT-NZSAHSFTSA-N 1 1 369.509 1.724 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3(C4CC4)CCC3)C[C@H]21 ZINC000972842653 783924862 /nfs/dbraw/zinc/92/48/62/783924862.db2.gz KSLCWEGVDFRPNT-NZSAHSFTSA-N 1 1 369.509 1.724 20 30 FDEDMO C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC000972846222 783931472 /nfs/dbraw/zinc/93/14/72/783931472.db2.gz JVVCSDHUXUTHPN-FHLIZLRMSA-N 1 1 369.469 1.434 20 30 FDEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2O)C1 ZINC001025542038 790997116 /nfs/dbraw/zinc/99/71/16/790997116.db2.gz JGWNHMSIJCMRQQ-GVDBMIGSSA-N 1 1 363.502 1.294 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(=O)[nH]n4)[C@@H]3C2)cc1F ZINC001075527933 791007894 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C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](CC)OCC)n[nH]1 ZINC001130190773 938736113 /nfs/dbraw/zinc/73/61/13/938736113.db2.gz NIYLSBRRPWAUQB-ZNMIVQPWSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C=C2CCCCC2)n1 ZINC001130191016 938736591 /nfs/dbraw/zinc/73/65/91/938736591.db2.gz YVUWYEKKDLWAPT-HOTGVXAUSA-N 1 1 359.474 1.960 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=C2CCCCC2)n[nH]1 ZINC001130191016 938736593 /nfs/dbraw/zinc/73/65/93/938736593.db2.gz YVUWYEKKDLWAPT-HOTGVXAUSA-N 1 1 359.474 1.960 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H](C)C(C)C)n1 ZINC001130193270 938737911 /nfs/dbraw/zinc/73/79/11/938737911.db2.gz PVKXVUPESGBZIE-JYJNAYRXSA-N 1 1 361.490 1.589 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H](C)C(C)C)n[nH]1 ZINC001130193270 938737913 /nfs/dbraw/zinc/73/79/13/938737913.db2.gz PVKXVUPESGBZIE-JYJNAYRXSA-N 1 1 361.490 1.589 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ncccc2C)n1 ZINC001130196019 938739175 /nfs/dbraw/zinc/73/91/75/938739175.db2.gz OCZBJKBFNNRRGC-GJZGRUSLSA-N 1 1 370.457 1.476 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ncccc2C)n[nH]1 ZINC001130196019 938739176 /nfs/dbraw/zinc/73/91/76/938739176.db2.gz OCZBJKBFNNRRGC-GJZGRUSLSA-N 1 1 370.457 1.476 20 30 FDEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)/C(C)=C/C)n1 ZINC001130198616 938740968 /nfs/dbraw/zinc/74/09/68/938740968.db2.gz RCVYSNDHNCJQNZ-PJORVAEVSA-N 1 1 363.462 1.052 20 30 FDEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)=CC)n[nH]1 ZINC001130198616 938740970 /nfs/dbraw/zinc/74/09/70/938740970.db2.gz RCVYSNDHNCJQNZ-PJORVAEVSA-N 1 1 363.462 1.052 20 30 FDEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCCC)n1 ZINC001130185164 938744472 /nfs/dbraw/zinc/74/44/72/938744472.db2.gz ZEMZSWRWEMWUSQ-GJZGRUSLSA-N 1 1 365.478 1.276 20 30 FDEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCCC)n[nH]1 ZINC001130185164 938744474 /nfs/dbraw/zinc/74/44/74/938744474.db2.gz ZEMZSWRWEMWUSQ-GJZGRUSLSA-N 1 1 365.478 1.276 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H](C)SC)n1 ZINC001130203088 938744862 /nfs/dbraw/zinc/74/48/62/938744862.db2.gz SGISAPFDNKOJRJ-AVGNSLFASA-N 1 1 353.492 1.211 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H](C)SC)n[nH]1 ZINC001130203088 938744864 /nfs/dbraw/zinc/74/48/64/938744864.db2.gz SGISAPFDNKOJRJ-AVGNSLFASA-N 1 1 353.492 1.211 20 30 FDEDMO C#CCCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(=C)C)n[nH]1 ZINC001130204769 938745725 /nfs/dbraw/zinc/74/57/25/938745725.db2.gz JXWIOSCTDZNSLI-HOTGVXAUSA-N 1 1 359.474 1.653 20 30 FDEDMO C#CCCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(=C)C)n1 ZINC001130204769 938745728 /nfs/dbraw/zinc/74/57/28/938745728.db2.gz JXWIOSCTDZNSLI-HOTGVXAUSA-N 1 1 359.474 1.653 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2coc(C)c2)n1 ZINC001130205007 938745869 /nfs/dbraw/zinc/74/58/69/938745869.db2.gz PKPCJUHWDIEUGB-GJZGRUSLSA-N 1 1 359.430 1.674 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2coc(C)c2)n[nH]1 ZINC001130205007 938745871 /nfs/dbraw/zinc/74/58/71/938745871.db2.gz PKPCJUHWDIEUGB-GJZGRUSLSA-N 1 1 359.430 1.674 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2=CCCCCC2)[nH]1 ZINC001130205144 938746000 /nfs/dbraw/zinc/74/60/00/938746000.db2.gz RWTCBKMQSBXUGL-HOTGVXAUSA-N 1 1 357.458 1.407 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2=CCCCCC2)n[nH]1 ZINC001130205144 938746002 /nfs/dbraw/zinc/74/60/02/938746002.db2.gz RWTCBKMQSBXUGL-HOTGVXAUSA-N 1 1 357.458 1.407 20 30 FDEDMO O=C(C#CC1CC1)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C/C=C\Cl)n[nH]1 ZINC001130212840 938750087 /nfs/dbraw/zinc/75/00/87/938750087.db2.gz GTOZQFSFJJXESN-DXDOQPJJSA-N 1 1 363.849 1.049 20 30 FDEDMO O=C(C#CC1CC1)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C/C=C\Cl)n1 ZINC001130212840 938750088 /nfs/dbraw/zinc/75/00/88/938750088.db2.gz GTOZQFSFJJXESN-DXDOQPJJSA-N 1 1 363.849 1.049 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ccccc2)n1 ZINC001130220683 938756180 /nfs/dbraw/zinc/75/61/80/938756180.db2.gz IRJFKNUTCSQBFI-IRXDYDNUSA-N 1 1 369.469 1.702 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2ccccc2)n[nH]1 ZINC001130220683 938756181 /nfs/dbraw/zinc/75/61/81/938756181.db2.gz IRJFKNUTCSQBFI-IRXDYDNUSA-N 1 1 369.469 1.702 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ccc(C)cc2)n1 ZINC001130222909 938757189 /nfs/dbraw/zinc/75/71/89/938757189.db2.gz IENQLGFTFFFEAH-IRXDYDNUSA-N 1 1 369.469 1.620 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2ccc(C)cc2)n[nH]1 ZINC001130222909 938757190 /nfs/dbraw/zinc/75/71/90/938757190.db2.gz IENQLGFTFFFEAH-IRXDYDNUSA-N 1 1 369.469 1.620 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2C)[nH]1 ZINC001130224804 938758879 /nfs/dbraw/zinc/75/88/79/938758879.db2.gz CIQOBOAXUPUCRU-MGAJPHDKSA-N 1 1 353.854 1.292 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2C[C@@H]2C)[nH]1 ZINC001130227531 938761353 /nfs/dbraw/zinc/76/13/53/938761353.db2.gz CIQOBOAXUPUCRU-BQUFFADESA-N 1 1 353.854 1.292 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@]2(C)C=CCC2)n1 ZINC001130227875 938762256 /nfs/dbraw/zinc/76/22/56/938762256.db2.gz SVUQEEJZLUVRHH-DOXZYTNZSA-N 1 1 359.474 1.815 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@]2(C)C=CCC2)n[nH]1 ZINC001130227875 938762257 /nfs/dbraw/zinc/76/22/57/938762257.db2.gz SVUQEEJZLUVRHH-DOXZYTNZSA-N 1 1 359.474 1.815 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)C2CC2)n1 ZINC001130232154 938764782 /nfs/dbraw/zinc/76/47/82/938764782.db2.gz AWVPSUJGFJVWKH-GJZGRUSLSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)(C)C2CC2)n[nH]1 ZINC001130232154 938764783 /nfs/dbraw/zinc/76/47/83/938764783.db2.gz AWVPSUJGFJVWKH-GJZGRUSLSA-N 1 1 361.490 1.895 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)C(C)(F)F)[nH]1 ZINC001130237944 938767526 /nfs/dbraw/zinc/76/75/26/938767526.db2.gz LEOIBJQNMOZCOU-AGIUHOORSA-N 1 1 369.416 1.198 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[C@@H](C)CC)[nH]1 ZINC001130242349 938769595 /nfs/dbraw/zinc/76/95/95/938769595.db2.gz STNMQHRBTSGEKN-JYJNAYRXSA-N 1 1 361.490 1.733 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)CC(C)(C)C)[nH]1 ZINC001130242239 938769600 /nfs/dbraw/zinc/76/96/00/938769600.db2.gz NPEJTOVQOZHESO-ILXRZTDVSA-N 1 1 361.490 1.589 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[C@@H](C)CC)n1 ZINC001130242334 938769605 /nfs/dbraw/zinc/76/96/05/938769605.db2.gz RNSJRVYHJIFKNJ-JYJNAYRXSA-N 1 1 361.490 1.733 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[C@@H](C)CC)n[nH]1 ZINC001130242334 938769606 /nfs/dbraw/zinc/76/96/06/938769606.db2.gz RNSJRVYHJIFKNJ-JYJNAYRXSA-N 1 1 361.490 1.733 20 30 FDEDMO 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HQLYVCCOKALNJN-JKSUJKDBSA-N 1 1 370.457 1.792 20 30 FDEDMO C[C@H](C#N)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C/C=C/Cl)O2)n1 ZINC001130769988 940108611 /nfs/dbraw/zinc/10/86/11/940108611.db2.gz SVIPTCIIUMZSNA-QQAFORCVSA-N 1 1 352.826 1.143 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCc3ccoc3)n[nH]2)O1 ZINC001130776454 940125487 /nfs/dbraw/zinc/12/54/87/940125487.db2.gz FSLVULUZLORTRJ-JKSUJKDBSA-N 1 1 371.441 1.480 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COC(C)(C)C)n[nH]2)O1 ZINC001130776766 940126533 /nfs/dbraw/zinc/12/65/33/940126533.db2.gz KWAVWSAJXRUIBY-UONOGXRCSA-N 1 1 365.478 1.622 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c[nH]c(C#N)c3)n[nH]2)O1 ZINC001130776825 940127016 /nfs/dbraw/zinc/12/70/16/940127016.db2.gz NEAACNDGUGBZTR-LSDHHAIUSA-N 1 1 369.429 1.320 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)n3cccc3)n[nH]2)O1 ZINC001130777218 940128440 /nfs/dbraw/zinc/12/84/40/940128440.db2.gz XHTMIWVPFIKOBM-HRCADAONSA-N 1 1 370.457 1.317 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ZFUTWHMCJVHLLJ-OAHLLOKOSA-N 1 1 353.430 2.053 20 30 FDEDMO Cc1cccc(OC[C@H](O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000546212101 542126417 /nfs/dbraw/zinc/12/64/17/542126417.db2.gz XPVIUIQYJVLQAA-GOSISDBHSA-N 1 1 352.438 1.824 20 30 FDEDMO COC(=O)c1ccccc1OCC[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546212192 542126593 /nfs/dbraw/zinc/12/65/93/542126593.db2.gz FAAMBIGRFXDTKP-UHFFFAOYSA-N 1 1 366.421 1.941 20 30 FDEDMO COc1cc(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c([N+](=O)[O-])cc1F ZINC000546637853 542188337 /nfs/dbraw/zinc/18/83/37/542188337.db2.gz YTQXSWRZLMCSTO-UHFFFAOYSA-N 1 1 362.365 1.984 20 30 FDEDMO CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000287002106 183191448 /nfs/dbraw/zinc/19/14/48/183191448.db2.gz UDCZVDXVHCLEPJ-NSHDSACASA-N 1 1 372.288 1.893 20 30 FDEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287178622 183229398 /nfs/dbraw/zinc/22/93/98/183229398.db2.gz KBYDWOVOZUDBDQ-CYBMUJFWSA-N 1 1 366.263 1.688 20 30 FDEDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000298007803 184373780 /nfs/dbraw/zinc/37/37/80/184373780.db2.gz KUGFDBIAHFZQFR-YJBOKZPZSA-N 1 1 356.470 1.705 20 30 FDEDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)CC1 ZINC000298708294 184484039 /nfs/dbraw/zinc/48/40/39/184484039.db2.gz GSQJAWYFMIHCIR-UHFFFAOYSA-N 1 1 373.432 1.715 20 30 FDEDMO CN1CC[NH+](CCCCNS(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000547790220 542448492 /nfs/dbraw/zinc/44/84/92/542448492.db2.gz AFSAVSHQHPFVRR-UHFFFAOYSA-N 1 1 370.906 1.518 20 30 FDEDMO N#CC1(c2ccccn2)CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000548812104 542782953 /nfs/dbraw/zinc/78/29/53/542782953.db2.gz QRKRMFVANZABDH-UHFFFAOYSA-N 1 1 356.470 1.968 20 30 FDEDMO CCCn1c(N)c(C(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)c(=O)[nH]c1=O ZINC000549175072 542847948 /nfs/dbraw/zinc/84/79/48/542847948.db2.gz YDYSTTNCAJWZLC-NSHDSACASA-N 1 1 355.398 1.346 20 30 FDEDMO C=C(C)CN(CC)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000549942614 542973795 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FDEDMO CC[C@@H](C)NC(=O)CN1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000097132480 172327182 /nfs/dbraw/zinc/32/71/82/172327182.db2.gz JMYDRFQXOFGKRJ-MRXNPFEDSA-N 1 1 371.485 1.419 20 30 FDEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000098030287 172330194 /nfs/dbraw/zinc/33/01/94/172330194.db2.gz ZPKMQOAQUKEAII-DLBZAZTESA-N 1 1 370.501 1.905 20 30 FDEDMO COC(=O)[C@H](O)C1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000135383948 173343679 /nfs/dbraw/zinc/34/36/79/173343679.db2.gz QTCKXQLHQXMBAK-MRXNPFEDSA-N 1 1 356.382 1.354 20 30 FDEDMO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(N4CCCNC4=O)CC3)C2=O)cc1 ZINC000135412668 173344881 /nfs/dbraw/zinc/34/48/81/173344881.db2.gz MCDKOBVIGXGYBJ-GOSISDBHSA-N 1 1 367.453 1.543 20 30 FDEDMO N#Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)c(F)c1 ZINC000135812155 173353176 /nfs/dbraw/zinc/35/31/76/173353176.db2.gz IOUYQLVPILXCEQ-UHFFFAOYSA-N 1 1 366.396 1.810 20 30 FDEDMO N#Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)c(F)c1 ZINC000135812155 173353178 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FDEDMO CC[N@@H+](CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)C1CC1 ZINC000179040575 258342851 /nfs/dbraw/zinc/34/28/51/258342851.db2.gz DGOVAHVDOYYIES-UHFFFAOYSA-N 1 1 366.469 1.859 20 30 FDEDMO C[N@@H+](CC(=O)N1CCN(c2cccc(F)c2C#N)CC1)[C@H]1CCSC1 ZINC000179141707 258344847 /nfs/dbraw/zinc/34/48/47/258344847.db2.gz ONMJNWPNQRFKTF-AWEZNQCLSA-N 1 1 362.474 1.783 20 30 FDEDMO COc1cc(OC)c2ncc(C#N)c(NC[C@@H]3C[NH+]4CCN3CC4)c2c1 ZINC000553506607 543649086 /nfs/dbraw/zinc/64/90/86/543649086.db2.gz LGTDOBYANJHDMC-CQSZACIVSA-N 1 1 353.426 1.535 20 30 FDEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000553767281 543693617 /nfs/dbraw/zinc/69/36/17/543693617.db2.gz BXSGFXPKNJEKRX-DAYGRLMNSA-N 1 1 354.454 1.477 20 30 FDEDMO C=CCCCNC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000570600820 549341626 /nfs/dbraw/zinc/34/16/26/549341626.db2.gz VZSNZNAQHNVWJN-QGZVFWFLSA-N 1 1 361.511 1.803 20 30 FDEDMO C=CCCCNC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000570600820 549341631 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C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3F)[C@@H]2C1 ZINC000971151880 775040417 /nfs/dbraw/zinc/04/04/17/775040417.db2.gz SEGGAVHQNQYFHU-AYOQOUSVSA-N 1 1 369.440 1.596 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3F)[C@@H]2C1 ZINC000971151880 775040424 /nfs/dbraw/zinc/04/04/24/775040424.db2.gz SEGGAVHQNQYFHU-AYOQOUSVSA-N 1 1 369.440 1.596 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccoc3C)[C@@H]2C1 ZINC000971257138 775508732 /nfs/dbraw/zinc/50/87/32/775508732.db2.gz DOCUEBHFDBIIDY-BPQIPLTHSA-N 1 1 355.438 1.359 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccoc3C)[C@@H]2C1 ZINC000971257138 775508748 /nfs/dbraw/zinc/50/87/48/775508748.db2.gz DOCUEBHFDBIIDY-BPQIPLTHSA-N 1 1 355.438 1.359 20 30 FDEDMO N#Cc1cccc(C[N@H+]2C[C@H]3OCCN(C(=O)Cc4cscn4)[C@H]3C2)c1 ZINC001083215889 775897168 /nfs/dbraw/zinc/89/71/68/775897168.db2.gz WVDIUSGFPAXJQP-ZWKOTPCHSA-N 1 1 368.462 1.669 20 30 FDEDMO N#Cc1cccc(C[N@@H+]2C[C@H]3OCCN(C(=O)Cc4cscn4)[C@H]3C2)c1 ZINC001083215889 775897183 /nfs/dbraw/zinc/89/71/83/775897183.db2.gz WVDIUSGFPAXJQP-ZWKOTPCHSA-N 1 1 368.462 1.669 20 30 FDEDMO C#CCN1CCN(C(=O)C[NH2+][C@H](CO)c2ccccc2C(F)(F)F)CC1 ZINC000933246385 776352237 /nfs/dbraw/zinc/35/22/37/776352237.db2.gz OIDAVXHXCJRGCV-MRXNPFEDSA-N 1 1 369.387 1.106 20 30 FDEDMO C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CCC4CCCC4)C[C@@H]32)nn1 ZINC001083217736 776592345 /nfs/dbraw/zinc/59/23/45/776592345.db2.gz MLAJPAUXOQJAHN-ZWKOTPCHSA-N 1 1 359.474 1.570 20 30 FDEDMO C=CCn1cccc1C(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001021939263 776749171 /nfs/dbraw/zinc/74/91/71/776749171.db2.gz GIORKTHIMILGGT-XYJFISCASA-N 1 1 356.470 1.299 20 30 FDEDMO C=CCn1cccc1C(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC001021939685 776751852 /nfs/dbraw/zinc/75/18/52/776751852.db2.gz PEDHYJLFWOLYHG-YQVWRLOYSA-N 1 1 370.497 1.831 20 30 FDEDMO C[C@@H](C(=O)NCc1ccccc1CN1CCCC1=O)N1CC[NH+](C)CC1 ZINC000328789373 776852209 /nfs/dbraw/zinc/85/22/09/776852209.db2.gz KSUAQJLMUJAXEJ-INIZCTEOSA-N 1 1 358.486 1.901 20 30 FDEDMO CN(C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000892713752 790486828 /nfs/dbraw/zinc/48/68/28/790486828.db2.gz YLBMDSKZCYNZDU-QGZVFWFLSA-N 1 1 356.474 1.658 20 30 FDEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCc2nnc3n2CCCCC3)C1 ZINC000328792014 776889514 /nfs/dbraw/zinc/88/95/14/776889514.db2.gz RFQNXJKGUPBSNT-HNNXBMFYSA-N 1 1 364.494 1.365 20 30 FDEDMO C=CCCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CC4CCCC4)C[C@@H]32)nn1 ZINC001083219630 777251067 /nfs/dbraw/zinc/25/10/67/777251067.db2.gz GSMHCUPHTJPFKN-ZWKOTPCHSA-N 1 1 359.474 1.570 20 30 FDEDMO C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001075422093 777252547 /nfs/dbraw/zinc/25/25/47/777252547.db2.gz KPRZEKMIHHIQMN-NVXWUHKLSA-N 1 1 355.417 1.803 20 30 FDEDMO C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001075422093 777252562 /nfs/dbraw/zinc/25/25/62/777252562.db2.gz KPRZEKMIHHIQMN-NVXWUHKLSA-N 1 1 355.417 1.803 20 30 FDEDMO C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001075422093 777252573 /nfs/dbraw/zinc/25/25/73/777252573.db2.gz KPRZEKMIHHIQMN-NVXWUHKLSA-N 1 1 355.417 1.803 20 30 FDEDMO C=CCCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CC(CC)CC)C[C@@H]32)nn1 ZINC001083220020 777277024 /nfs/dbraw/zinc/27/70/24/777277024.db2.gz ZBUHVTGUJCVCLT-ZWKOTPCHSA-N 1 1 361.490 1.816 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2c(C)nnn2CC)C1 ZINC000971555450 777594108 /nfs/dbraw/zinc/59/41/08/777594108.db2.gz GCHARBUWKZXNSI-NUJGCVRESA-N 1 1 361.490 1.620 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2c(C)nnn2CC)C1 ZINC000971555450 777594112 /nfs/dbraw/zinc/59/41/12/777594112.db2.gz GCHARBUWKZXNSI-NUJGCVRESA-N 1 1 361.490 1.620 20 30 FDEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc(C)c4ccccc43)[C@H]2C1 ZINC001083220619 777622801 /nfs/dbraw/zinc/62/28/01/777622801.db2.gz IFBWEKOCPJAKSM-VQTJNVASSA-N 1 1 351.450 1.885 20 30 FDEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc(C)c4ccccc43)[C@H]2C1 ZINC001083220619 777622809 /nfs/dbraw/zinc/62/28/09/777622809.db2.gz IFBWEKOCPJAKSM-VQTJNVASSA-N 1 1 351.450 1.885 20 30 FDEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000933466785 778210286 /nfs/dbraw/zinc/21/02/86/778210286.db2.gz FFCCAUBBRVMPKQ-KGLIPLIRSA-N 1 1 350.463 1.879 20 30 FDEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000933466785 778210289 /nfs/dbraw/zinc/21/02/89/778210289.db2.gz FFCCAUBBRVMPKQ-KGLIPLIRSA-N 1 1 350.463 1.879 20 30 FDEDMO COCCC[N@@H+](C)CCNC(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000276656313 778429875 /nfs/dbraw/zinc/42/98/75/778429875.db2.gz XHMIURCUXFKFIJ-UHFFFAOYSA-N 1 1 363.462 1.156 20 30 FDEDMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)Cc2c(F)cccc2C#N)CC1 ZINC000510682569 779532064 /nfs/dbraw/zinc/53/20/64/779532064.db2.gz ONJBXHPPZMBAPT-QGZVFWFLSA-N 1 1 358.461 1.868 20 30 FDEDMO CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)[N@@H+](C)C1 ZINC000328959908 779550831 /nfs/dbraw/zinc/55/08/31/779550831.db2.gz QDYATOJZHKPNPQ-PMPSAXMXSA-N 1 1 360.458 1.936 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cc(C)co3)[C@@H]2C1 ZINC001022444328 780240700 /nfs/dbraw/zinc/24/07/00/780240700.db2.gz BJFBBIHWERFXSB-YESZJQIVSA-N 1 1 355.438 1.359 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cc(C)co3)[C@@H]2C1 ZINC001022444328 780240704 /nfs/dbraw/zinc/24/07/04/780240704.db2.gz BJFBBIHWERFXSB-YESZJQIVSA-N 1 1 355.438 1.359 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc[nH]2)C1 ZINC001111586861 780247494 /nfs/dbraw/zinc/24/74/94/780247494.db2.gz POQFURSPCDYELG-JXFKEZNVSA-N 1 1 356.470 1.800 20 30 FDEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000971872640 780352264 /nfs/dbraw/zinc/35/22/64/780352264.db2.gz CXCCSIDMKNRDRR-ZTFGCOKTSA-N 1 1 369.469 1.434 20 30 FDEDMO COCC(=O)Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000657281160 781399025 /nfs/dbraw/zinc/39/90/25/781399025.db2.gz QXAHSPRPSXBGEM-UHFFFAOYSA-N 1 1 351.406 1.494 20 30 FDEDMO COCC(=O)Cn1c2c(cc(C#N)c1=O)C[N@H+](Cc1ccccc1)CC2 ZINC000657281160 781399034 /nfs/dbraw/zinc/39/90/34/781399034.db2.gz QXAHSPRPSXBGEM-UHFFFAOYSA-N 1 1 351.406 1.494 20 30 FDEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000472116026 781670610 /nfs/dbraw/zinc/67/06/10/781670610.db2.gz UCKLTXAKVAVFKR-CQSZACIVSA-N 1 1 361.494 1.162 20 30 FDEDMO C#Cc1cncc(C(=O)N2CC[C@H]3CN(C(=O)C[N@H+](C)C4CCC4)C[C@H]32)c1 ZINC001022635528 781685809 /nfs/dbraw/zinc/68/58/09/781685809.db2.gz VZQJQHKLPWFZFQ-QFBILLFUSA-N 1 1 366.465 1.220 20 30 FDEDMO C#CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000277408146 781760454 /nfs/dbraw/zinc/76/04/54/781760454.db2.gz DIWYOUBQKQKBKX-QGZVFWFLSA-N 1 1 355.438 1.770 20 30 FDEDMO CC(C)[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H](O)COc1ccccc1 ZINC000277796008 783347738 /nfs/dbraw/zinc/34/77/38/783347738.db2.gz NVVIEPZJBJMRBL-GOSISDBHSA-N 1 1 372.469 1.793 20 30 FDEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC000972342734 783359467 /nfs/dbraw/zinc/35/94/67/783359467.db2.gz ABZOOPWLXZMLQU-FGTMMUONSA-N 1 1 354.454 1.493 20 30 FDEDMO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC000972341743 783361543 /nfs/dbraw/zinc/36/15/43/783361543.db2.gz CNDDLFBSIBTSKO-KFWWJZLASA-N 1 1 369.893 1.155 20 30 FDEDMO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC000972341743 783361551 /nfs/dbraw/zinc/36/15/51/783361551.db2.gz CNDDLFBSIBTSKO-KFWWJZLASA-N 1 1 369.893 1.155 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C(=O)NC)cc2)C1 ZINC000972371820 783527014 /nfs/dbraw/zinc/52/70/14/783527014.db2.gz BUYZSYDBJBJDNV-OTWHNJEPSA-N 1 1 371.481 1.670 20 30 FDEDMO C=CCn1c([C@H]2CCO[C@H]2C)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000647371486 783731125 /nfs/dbraw/zinc/73/11/25/783731125.db2.gz RGJJSUUOWSRPIG-YVSFHVDLSA-N 1 1 363.506 1.902 20 30 FDEDMO C=CCn1c([C@H]2CCO[C@H]2C)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000647371486 783731127 /nfs/dbraw/zinc/73/11/27/783731127.db2.gz RGJJSUUOWSRPIG-YVSFHVDLSA-N 1 1 363.506 1.902 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ncccc3C)C[C@H]21 ZINC000972835424 783904245 /nfs/dbraw/zinc/90/42/45/783904245.db2.gz UCEYGTRLUDSBES-FGTMMUONSA-N 1 1 366.465 1.161 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ncccc3C)C[C@H]21 ZINC000972835424 783904249 /nfs/dbraw/zinc/90/42/49/783904249.db2.gz UCEYGTRLUDSBES-FGTMMUONSA-N 1 1 366.465 1.161 20 30 FDEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(c3nc(Cl)c(C#N)s3)C2)CC[N@H+]1C ZINC001058580094 784826754 /nfs/dbraw/zinc/82/67/54/784826754.db2.gz FSYSXPZGOWIWHB-GMTAPVOTSA-N 1 1 353.879 1.703 20 30 FDEDMO C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2)O1 ZINC001024505736 784963683 /nfs/dbraw/zinc/96/36/83/784963683.db2.gz HKXVRSROVAFMIY-NSISKUIASA-N 1 1 370.497 1.748 20 30 FDEDMO 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IWXDQSPOFPTYFP-CRAIPNDOSA-N 1 1 371.437 1.106 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)COCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129127570 885818242 /nfs/dbraw/zinc/81/82/42/885818242.db2.gz HGPNLLCLTNKCJL-KGLIPLIRSA-N 1 1 371.432 1.504 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)COCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129127570 885818251 /nfs/dbraw/zinc/81/82/51/885818251.db2.gz HGPNLLCLTNKCJL-KGLIPLIRSA-N 1 1 371.432 1.504 20 30 FDEDMO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001129128111 885823703 /nfs/dbraw/zinc/82/37/03/885823703.db2.gz QACIDZQPYFHQHW-VYDXJSESSA-N 1 1 353.442 1.208 20 30 FDEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CCn2nc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001129144621 885866034 /nfs/dbraw/zinc/86/60/34/885866034.db2.gz PJQZFRMFEBALDH-SJORKVTESA-N 1 1 357.462 1.099 20 30 FDEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2ccc(C)n2)[C@@H](n2ccnn2)C1 ZINC001129147446 885874590 /nfs/dbraw/zinc/87/45/90/885874590.db2.gz AKPCAYCLEHRUMA-KURKYZTESA-N 1 1 371.489 1.742 20 30 FDEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2c(C)nc[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001129180320 886021483 /nfs/dbraw/zinc/02/14/83/886021483.db2.gz OIIWJWIKXJUBDA-YUELXQCFSA-N 1 1 371.445 1.092 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](CCC)OCC)[C@@H](n2ccnn2)C1 ZINC001129180714 886025399 /nfs/dbraw/zinc/02/53/99/886025399.db2.gz XLCXEFPUEZDTNQ-IKGGRYGDSA-N 1 1 365.478 1.027 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](CCC)OCC)[C@@H](n2ccnn2)C1 ZINC001129180714 886025416 /nfs/dbraw/zinc/02/54/16/886025416.db2.gz XLCXEFPUEZDTNQ-IKGGRYGDSA-N 1 1 365.478 1.027 20 30 FDEDMO C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC001035445409 886052520 /nfs/dbraw/zinc/05/25/20/886052520.db2.gz GVBSLRSOKZNATP-MMOPVJDHSA-N 1 1 354.450 1.567 20 30 FDEDMO C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC001035445409 886052528 /nfs/dbraw/zinc/05/25/28/886052528.db2.gz GVBSLRSOKZNATP-MMOPVJDHSA-N 1 1 354.450 1.567 20 30 FDEDMO 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HLBRXHGOOVMVKQ-BMGDILEWSA-N 1 1 370.501 1.052 20 30 FDEDMO CC(=O)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084858065 917747817 /nfs/dbraw/zinc/74/78/17/917747817.db2.gz IIAGNYXPCCWJOA-NJDAHSKKSA-N 1 1 365.477 1.582 20 30 FDEDMO CC(=O)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084858065 917747829 /nfs/dbraw/zinc/74/78/29/917747829.db2.gz IIAGNYXPCCWJOA-NJDAHSKKSA-N 1 1 365.477 1.582 20 30 FDEDMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccc(OCC#N)cc2)C1 ZINC000731212362 917861517 /nfs/dbraw/zinc/86/15/17/917861517.db2.gz IXWFRXCKEWFDIN-KRWDZBQOSA-N 1 1 373.453 1.822 20 30 FDEDMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccc(OCC#N)cc2)C1 ZINC000731212362 917861525 /nfs/dbraw/zinc/86/15/25/917861525.db2.gz IXWFRXCKEWFDIN-KRWDZBQOSA-N 1 1 373.453 1.822 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CCN(C(=O)C4CCOCC4)C[C@@H]32)C1=O ZINC001084878697 917948653 /nfs/dbraw/zinc/94/86/53/917948653.db2.gz HHVDDGKQTLBYME-JQHSSLGASA-N 1 1 361.486 1.123 20 30 FDEDMO 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C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1 ZINC001129484816 938439722 /nfs/dbraw/zinc/43/97/22/938439722.db2.gz JPFNUFNZQOLPGN-IPELMVKDSA-N 1 1 369.444 1.661 20 30 FDEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCc2cscn2)[C@@H](n2ccnn2)C1 ZINC001129484894 938440540 /nfs/dbraw/zinc/44/05/40/938440540.db2.gz OCYIIDSMLPKHIJ-CVEARBPZSA-N 1 1 360.487 1.675 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](OCC)c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129496512 938444137 /nfs/dbraw/zinc/44/41/37/938444137.db2.gz PPSJRMCGYXOORW-CEXWTWQISA-N 1 1 369.469 1.974 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](OCC)c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129496512 938444138 /nfs/dbraw/zinc/44/41/38/938444138.db2.gz PPSJRMCGYXOORW-CEXWTWQISA-N 1 1 369.469 1.974 20 30 FDEDMO C=C(Br)C[NH2+][C@@H]1CN(C(=O)CCC(C)C)C[C@@H]1n1ccnn1 ZINC001129559265 938461401 /nfs/dbraw/zinc/46/14/01/938461401.db2.gz WJEFZRBYPPFQEY-KGLIPLIRSA-N 1 1 370.295 1.964 20 30 FDEDMO C=CCOCC(=O)N1C[C@@H]([NH2+]CC=C(Cl)Cl)[C@@H](n2ccnn2)C1 ZINC001129681772 938484398 /nfs/dbraw/zinc/48/43/98/938484398.db2.gz YQGKKVQKSZMNFL-NEPJUHHUSA-N 1 1 360.245 1.141 20 30 FDEDMO Cc1cnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2n2ccnn2)cn1 ZINC001129822137 938521838 /nfs/dbraw/zinc/52/18/38/938521838.db2.gz HBVTWBAHHWIPTB-NXHRZFHOSA-N 1 1 367.457 1.139 20 30 FDEDMO C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001086625459 938529391 /nfs/dbraw/zinc/52/93/91/938529391.db2.gz BSXGGBLQFNCEJL-GBESFXJTSA-N 1 1 353.466 1.462 20 30 FDEDMO C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001086626029 938556294 /nfs/dbraw/zinc/55/62/94/938556294.db2.gz PNEXGQAWRFGXOH-QFBILLFUSA-N 1 1 362.433 1.402 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)c2nc[nH]c2C(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129896402 938557663 /nfs/dbraw/zinc/55/76/63/938557663.db2.gz YJRZCKNIHWKHKY-MNOVXSKESA-N 1 1 369.351 1.251 20 30 FDEDMO C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nn(CC)nc2C)C1 ZINC001086626655 938577744 /nfs/dbraw/zinc/57/77/44/938577744.db2.gz YVTIRLBFPJOGSF-ZWKOTPCHSA-N 1 1 351.454 1.828 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)CC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129990057 938612205 /nfs/dbraw/zinc/61/22/05/938612205.db2.gz JVULANGMNVLNFV-WCQGTBRESA-N 1 1 365.787 1.961 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C)cc3c[nH]nc32)C[C@@H]1n1ccnn1 ZINC001130040884 938627215 /nfs/dbraw/zinc/62/72/15/938627215.db2.gz QGZKOPBXNBFFIF-SJORKVTESA-N 1 1 365.441 1.694 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccnc2)n1 ZINC001130177774 938725651 /nfs/dbraw/zinc/72/56/51/938725651.db2.gz UBRSNNOKUDQSGR-HOTGVXAUSA-N 1 1 370.457 1.558 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccnc2)n[nH]1 ZINC001130177774 938725652 /nfs/dbraw/zinc/72/56/52/938725652.db2.gz UBRSNNOKUDQSGR-HOTGVXAUSA-N 1 1 370.457 1.558 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2CCCO2)n1 ZINC001130187727 938733929 /nfs/dbraw/zinc/73/39/29/938733929.db2.gz GGSUZIFKLXQQCP-KKUMJFAQSA-N 1 1 363.462 1.028 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H]2CCCO2)n[nH]1 ZINC001130187727 938733930 /nfs/dbraw/zinc/73/39/30/938733930.db2.gz GGSUZIFKLXQQCP-KKUMJFAQSA-N 1 1 363.462 1.028 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CSC(C)C)n1 ZINC001130190677 938735823 /nfs/dbraw/zinc/73/58/23/938735823.db2.gz KAPFINJOQOHCCH-KBPBESRZSA-N 1 1 367.519 1.601 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CSC(C)C)n[nH]1 ZINC001130190677 938735825 /nfs/dbraw/zinc/73/58/25/938735825.db2.gz KAPFINJOQOHCCH-KBPBESRZSA-N 1 1 367.519 1.601 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=C2CCCCC2)[nH]1 ZINC001130190978 938736528 /nfs/dbraw/zinc/73/65/28/938736528.db2.gz XIFBCRCGBDRIDX-IRXDYDNUSA-N 1 1 371.485 1.797 20 30 FDEDMO C=CCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@H](F)CC)n[nH]1 ZINC001130193134 938737700 /nfs/dbraw/zinc/73/77/00/938737700.db2.gz KBMRVEJACRVTEN-RDBSUJKOSA-N 1 1 353.442 1.597 20 30 FDEDMO C=CCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@H](F)CC)n1 ZINC001130193134 938737702 /nfs/dbraw/zinc/73/77/02/938737702.db2.gz KBMRVEJACRVTEN-RDBSUJKOSA-N 1 1 353.442 1.597 20 30 FDEDMO C=C(C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC[C@H](C)F)n[nH]1 ZINC001130216361 938752695 /nfs/dbraw/zinc/75/26/95/938752695.db2.gz UQRLHYLXBZQFBQ-KKUMJFAQSA-N 1 1 367.469 1.987 20 30 FDEDMO C=C(C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC[C@H](C)F)n1 ZINC001130216361 938752696 /nfs/dbraw/zinc/75/26/96/938752696.db2.gz UQRLHYLXBZQFBQ-KKUMJFAQSA-N 1 1 367.469 1.987 20 30 FDEDMO C=C(C)C(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CC)[nH]1 ZINC001130224777 938759016 /nfs/dbraw/zinc/75/90/16/938759016.db2.gz BJSIRYNHWZJLQW-GJZGRUSLSA-N 1 1 359.474 1.509 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCCC#CC)n1 ZINC001130229791 938763290 /nfs/dbraw/zinc/76/32/90/938763290.db2.gz GFDADCZNILIZQL-HOTGVXAUSA-N 1 1 357.458 1.100 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCCC#CC)n[nH]1 ZINC001130229791 938763291 /nfs/dbraw/zinc/76/32/91/938763291.db2.gz GFDADCZNILIZQL-HOTGVXAUSA-N 1 1 357.458 1.100 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]23C[C@H]2CCCC3)n1 ZINC001130240267 938767219 /nfs/dbraw/zinc/76/72/19/938767219.db2.gz LFWQSYOVDFAGCS-MMMWYMCRSA-N 1 1 359.474 1.649 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@]23C[C@H]2CCCC3)n[nH]1 ZINC001130240267 938767221 /nfs/dbraw/zinc/76/72/21/938767221.db2.gz LFWQSYOVDFAGCS-MMMWYMCRSA-N 1 1 359.474 1.649 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)c2ccco2)n1 ZINC001130238169 938767652 /nfs/dbraw/zinc/76/76/52/938767652.db2.gz WWGPFJYJQJMXJA-IPYPFGDCSA-N 1 1 359.430 1.466 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)c2ccco2)n[nH]1 ZINC001130238169 938767654 /nfs/dbraw/zinc/76/76/54/938767654.db2.gz WWGPFJYJQJMXJA-IPYPFGDCSA-N 1 1 359.430 1.466 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C2CCCC2)n1 ZINC001130246081 938771553 /nfs/dbraw/zinc/77/15/53/938771553.db2.gz CYAJTMIZOYHYPG-BPUTZDHNSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)C2CCCC2)n[nH]1 ZINC001130246081 938771554 /nfs/dbraw/zinc/77/15/54/938771554.db2.gz CYAJTMIZOYHYPG-BPUTZDHNSA-N 1 1 361.490 1.895 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CCC=CCC2)n1 ZINC001130249083 938773257 /nfs/dbraw/zinc/77/32/57/938773257.db2.gz IXFPQWYRGPXYBK-IRXDYDNUSA-N 1 1 371.485 1.653 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CCC=CCC2)n[nH]1 ZINC001130249083 938773258 /nfs/dbraw/zinc/77/32/58/938773258.db2.gz IXFPQWYRGPXYBK-IRXDYDNUSA-N 1 1 371.485 1.653 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccc(OC)c2)n1 ZINC001130251304 938774520 /nfs/dbraw/zinc/77/45/20/938774520.db2.gz MKFIBFZOMKNFGI-HOTGVXAUSA-N 1 1 371.441 1.391 20 30 FDEDMO 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C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1OCC)C2 ZINC001110051054 931265183 /nfs/dbraw/zinc/26/51/83/931265183.db2.gz LCPCELMEGGBXBZ-MVJTYMMSSA-N 1 1 369.465 1.558 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1OCC)C2 ZINC001110051054 931265189 /nfs/dbraw/zinc/26/51/89/931265189.db2.gz LCPCELMEGGBXBZ-MVJTYMMSSA-N 1 1 369.465 1.558 20 30 FDEDMO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccccc1F)C2 ZINC001110053882 931284627 /nfs/dbraw/zinc/28/46/27/931284627.db2.gz AFKCDCAMFMJRHN-DHXZDTOLSA-N 1 1 359.445 1.780 20 30 FDEDMO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccccc1F)C2 ZINC001110053882 931284633 /nfs/dbraw/zinc/28/46/33/931284633.db2.gz AFKCDCAMFMJRHN-DHXZDTOLSA-N 1 1 359.445 1.780 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc3ccccc31)C2 ZINC001110054371 931285315 /nfs/dbraw/zinc/28/53/15/931285315.db2.gz NBMGQCWAXBGBKR-OMNBBPDLSA-N 1 1 367.453 1.589 20 30 FDEDMO 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GQVVAORUOPVATP-AZUAARDMSA-N 1 1 366.465 1.751 20 30 FDEDMO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn(CCOC)n2)C1 ZINC001086598843 934006477 /nfs/dbraw/zinc/00/64/77/934006477.db2.gz GQVVAORUOPVATP-AZUAARDMSA-N 1 1 366.465 1.751 20 30 FDEDMO C#CCNC(=O)CN1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000791453934 934010491 /nfs/dbraw/zinc/01/04/91/934010491.db2.gz ALQUDGGLSWFNMP-NRFANRHFSA-N 1 1 365.477 1.110 20 30 FDEDMO CN(C)CC#CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC001170994156 945106337 /nfs/dbraw/zinc/10/63/37/945106337.db2.gz WTVJOQKOPHAPNJ-FPOVZHCZSA-N 1 1 355.482 1.206 20 30 FDEDMO CN(C)CC#CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC001170994156 945106345 /nfs/dbraw/zinc/10/63/45/945106345.db2.gz WTVJOQKOPHAPNJ-FPOVZHCZSA-N 1 1 355.482 1.206 20 30 FDEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1nc(C)cc1C)C2 ZINC001110105472 945142962 /nfs/dbraw/zinc/14/29/62/945142962.db2.gz VCAIWHDYCBXEKR-YRXWBPOGSA-N 1 1 358.486 1.822 20 30 FDEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1nc(C)cc1C)C2 ZINC001110105472 945142970 /nfs/dbraw/zinc/14/29/70/945142970.db2.gz VCAIWHDYCBXEKR-YRXWBPOGSA-N 1 1 358.486 1.822 20 30 FDEDMO C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(CCC)nn2)C1 ZINC001086617698 938327193 /nfs/dbraw/zinc/32/71/93/938327193.db2.gz SQSQWSSQDSAJRV-ZWKOTPCHSA-N 1 1 351.454 1.909 20 30 FDEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(OC)nn2)C1 ZINC001086618558 938334911 /nfs/dbraw/zinc/33/49/11/938334911.db2.gz WVBXRLYNYBQAPN-FUHWJXTLSA-N 1 1 350.422 1.706 20 30 FDEDMO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(OC)nn2)C1 ZINC001086618558 938334914 /nfs/dbraw/zinc/33/49/14/938334914.db2.gz WVBXRLYNYBQAPN-FUHWJXTLSA-N 1 1 350.422 1.706 20 30 FDEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2Cc3cccnc3C2)[C@@H](n2ccnn2)C1 ZINC001129406882 938404218 /nfs/dbraw/zinc/40/42/18/938404218.db2.gz BHLRUTZNLQEPIJ-QRQLOZEOSA-N 1 1 366.469 1.396 20 30 FDEDMO CCc1ccc([C@@H]2CN(C(=O)C(=NOC)c3csc(N)n3)CC[NH2+]2)cc1 ZINC000822703439 945171884 /nfs/dbraw/zinc/17/18/84/945171884.db2.gz OCCHUNTWWLRLEZ-AWEZNQCLSA-N 1 1 373.482 1.811 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)c2ccc(F)cc2)[C@@H](n2ccnn2)C1 ZINC001129449320 938419603 /nfs/dbraw/zinc/41/96/03/938419603.db2.gz LRBPOQVGEBREIQ-LZQZEXGQSA-N 1 1 369.444 1.976 20 30 FDEDMO C=CCC1(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)CCCCC1 ZINC001129449360 938419955 /nfs/dbraw/zinc/41/99/55/938419955.db2.gz MHCUYWJQSARTKS-SJORKVTESA-N 1 1 361.490 1.529 20 30 FDEDMO C=CC[N@H+]1C[C@@H](NC(=O)CCc2cc(F)ccc2F)[C@@H](n2ccnn2)C1 ZINC001129453632 938420663 /nfs/dbraw/zinc/42/06/63/938420663.db2.gz FUKYMWDJSRFJOX-SJORKVTESA-N 1 1 361.396 1.717 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CCc2cc(F)ccc2F)[C@@H](n2ccnn2)C1 ZINC001129453632 938420665 /nfs/dbraw/zinc/42/06/65/938420665.db2.gz FUKYMWDJSRFJOX-SJORKVTESA-N 1 1 361.396 1.717 20 30 FDEDMO C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)CC#Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129453645 938420669 /nfs/dbraw/zinc/42/06/69/938420669.db2.gz GHQTZQNVAWAHPH-UHOSZYNNSA-N 1 1 369.444 1.810 20 30 FDEDMO CCCCCCC[N@@H+]1C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129465968 938429039 /nfs/dbraw/zinc/42/90/39/938429039.db2.gz VMDMKCPEIVLZAC-MSOLQXFVSA-N 1 1 364.538 1.930 20 30 FDEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129465968 938429041 /nfs/dbraw/zinc/42/90/41/938429041.db2.gz VMDMKCPEIVLZAC-MSOLQXFVSA-N 1 1 364.538 1.930 20 30 FDEDMO C=CCCOCC(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@@H]1n1ccnn1 ZINC001129476751 938432922 /nfs/dbraw/zinc/43/29/22/938432922.db2.gz PTGSGCWMXJSPGX-MSOLQXFVSA-N 1 1 359.474 1.713 20 30 FDEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129461271 938436246 /nfs/dbraw/zinc/43/62/46/938436246.db2.gz TXUNFGCWCPBCNU-CEXWTWQISA-N 1 1 368.485 1.499 20 30 FDEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC23CCOCC3)[C@@H](n2ccnn2)C1 ZINC001129490775 938442307 /nfs/dbraw/zinc/44/23/07/938442307.db2.gz NMYUCICYFYNKHR-BBWFWOEESA-N 1 1 359.474 1.403 20 30 FDEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](OCC)c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129496859 938444519 /nfs/dbraw/zinc/44/45/19/938444519.db2.gz WNHQCUYXOURQNH-QYZOEREBSA-N 1 1 369.469 1.974 20 30 FDEDMO C=CCCC(=O)N1C[C@@H]([NH2+]Cc2cccc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001129667234 938478722 /nfs/dbraw/zinc/47/87/22/938478722.db2.gz SCZDDMKLLNFCJD-CVEARBPZSA-N 1 1 356.430 1.190 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 ZINC001086624899 938491290 /nfs/dbraw/zinc/49/12/90/938491290.db2.gz ZWWITSOQDSEDNF-RBUKOAKNSA-N 1 1 364.449 1.954 20 30 FDEDMO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c(C)c(C)sc2=O)C1 ZINC001086625079 938509794 /nfs/dbraw/zinc/50/97/94/938509794.db2.gz JVSQAGSSHJWAOX-ZWKOTPCHSA-N 1 1 369.490 1.744 20 30 FDEDMO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c(C)c(C)sc2=O)C1 ZINC001086625079 938509797 /nfs/dbraw/zinc/50/97/97/938509797.db2.gz JVSQAGSSHJWAOX-ZWKOTPCHSA-N 1 1 369.490 1.744 20 30 FDEDMO C#CCCCCC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)cn2)[C@@H](n2ccnn2)C1 ZINC001129777779 938513697 /nfs/dbraw/zinc/51/36/97/938513697.db2.gz BJBZYOGTFIPMMC-MSOLQXFVSA-N 1 1 367.457 1.112 20 30 FDEDMO C=C(C)CCC(=O)N1C[C@@H]([NH2+]Cc2nccnc2C)[C@@H](n2ccnn2)C1 ZINC001129881790 938537632 /nfs/dbraw/zinc/53/76/32/938537632.db2.gz SSHHAYNGUUYXEG-SJORKVTESA-N 1 1 355.446 1.275 20 30 FDEDMO C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+][C@@H](C)c2cnccn2)[C@@H](n2ccnn2)C1 ZINC001129876322 938546768 /nfs/dbraw/zinc/54/67/68/938546768.db2.gz LCHWUCWZAVMSKG-UAGQMJEPSA-N 1 1 369.473 1.773 20 30 FDEDMO C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1n1ccnn1 ZINC001129954673 938576749 /nfs/dbraw/zinc/57/67/49/938576749.db2.gz ZARURYJQKUINLJ-CABCVRRESA-N 1 1 358.450 1.106 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001086626712 938586733 /nfs/dbraw/zinc/58/67/33/938586733.db2.gz BKLGNQUTOZBYMQ-YESZJQIVSA-N 1 1 355.438 1.200 20 30 FDEDMO C=C[C@H](CC)CC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)o2)[C@@H](n2ccnn2)C1 ZINC001129977738 938592716 /nfs/dbraw/zinc/59/27/16/938592716.db2.gz DOIXDCGXSJNWRC-OIISXLGYSA-N 1 1 358.446 1.719 20 30 FDEDMO C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+][C@H](C)c2cnccn2)[C@@H](n2ccnn2)C1 ZINC001130022825 938621022 /nfs/dbraw/zinc/62/10/22/938621022.db2.gz OBHMCYPDBVKJFL-OIISXLGYSA-N 1 1 369.473 1.773 20 30 FDEDMO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001130034424 938634625 /nfs/dbraw/zinc/63/46/25/938634625.db2.gz OWENCQHXOHDWTI-UAGQMJEPSA-N 1 1 357.462 1.188 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001086628350 938641503 /nfs/dbraw/zinc/64/15/03/938641503.db2.gz BQHJBIIAHGVJRK-PKOBYXMFSA-N 1 1 364.449 1.954 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCCn2ccnc2)C[C@@H]1n1ccnn1 ZINC001130153245 938716926 /nfs/dbraw/zinc/71/69/26/938716926.db2.gz FQFFFDBBIHEYRQ-CABCVRRESA-N 1 1 363.853 1.049 20 30 FDEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CSC)n1 ZINC001130181672 938728925 /nfs/dbraw/zinc/72/89/25/938728925.db2.gz PBLBBSWGPJQSLU-RDBSUJKOSA-N 1 1 367.519 1.601 20 30 FDEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CSC)n[nH]1 ZINC001130181672 938728927 /nfs/dbraw/zinc/72/89/27/938728927.db2.gz PBLBBSWGPJQSLU-RDBSUJKOSA-N 1 1 367.519 1.601 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc[nH]2)n1 ZINC001130187199 938732677 /nfs/dbraw/zinc/73/26/77/938732677.db2.gz WHEDARMOKXVPBM-ZFWWWQNUSA-N 1 1 358.446 1.491 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc[nH]2)n[nH]1 ZINC001130187199 938732678 /nfs/dbraw/zinc/73/26/78/938732678.db2.gz WHEDARMOKXVPBM-ZFWWWQNUSA-N 1 1 358.446 1.491 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2C=CCC2)[nH]1 ZINC001130187731 938734004 /nfs/dbraw/zinc/73/40/04/938734004.db2.gz GSLVGKHWRGGUOC-JYJNAYRXSA-N 1 1 357.458 1.263 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(C)c2)[nH]1 ZINC001130188087 938734775 /nfs/dbraw/zinc/73/47/75/938734775.db2.gz YISIJCPOGDENNH-HOTGVXAUSA-N 1 1 353.426 1.138 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccc(C)c2)n[nH]1 ZINC001130188087 938734777 /nfs/dbraw/zinc/73/47/77/938734777.db2.gz YISIJCPOGDENNH-HOTGVXAUSA-N 1 1 353.426 1.138 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COCCC)[nH]1 ZINC001130190720 938735704 /nfs/dbraw/zinc/73/57/04/938735704.db2.gz LGLSLZXDAGFUGG-STQMWFEESA-N 1 1 371.869 1.062 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCOCC)n1 ZINC001130193262 938737777 /nfs/dbraw/zinc/73/77/77/938737777.db2.gz PLRNHCHOVYEAOP-GJZGRUSLSA-N 1 1 365.478 1.276 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCOCC)n[nH]1 ZINC001130193262 938737779 /nfs/dbraw/zinc/73/77/79/938737779.db2.gz PLRNHCHOVYEAOP-GJZGRUSLSA-N 1 1 365.478 1.276 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ncccc2C)n1 ZINC001130195774 938738752 /nfs/dbraw/zinc/73/87/52/938738752.db2.gz BQRZUWVTDGKHCU-GJZGRUSLSA-N 1 1 370.457 1.476 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ncccc2C)n[nH]1 ZINC001130195774 938738756 /nfs/dbraw/zinc/73/87/56/938738756.db2.gz BQRZUWVTDGKHCU-GJZGRUSLSA-N 1 1 370.457 1.476 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC=CC2)n1 ZINC001130195814 938738820 /nfs/dbraw/zinc/73/88/20/938738820.db2.gz DNOGWARQTBFEPI-HOTGVXAUSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CC=CC2)n[nH]1 ZINC001130195814 938738821 /nfs/dbraw/zinc/73/88/21/938738821.db2.gz DNOGWARQTBFEPI-HOTGVXAUSA-N 1 1 359.474 1.815 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)oc2C)[nH]1 ZINC001130183255 938742821 /nfs/dbraw/zinc/74/28/21/938742821.db2.gz YVKRRLDWTSARHH-ZFWWWQNUSA-N 1 1 357.414 1.040 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)oc2C)n[nH]1 ZINC001130183255 938742822 /nfs/dbraw/zinc/74/28/22/938742822.db2.gz YVKRRLDWTSARHH-ZFWWWQNUSA-N 1 1 357.414 1.040 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC2(F)F)n1 ZINC001130207704 938746964 /nfs/dbraw/zinc/74/69/64/938746964.db2.gz MTOSIIFGCSEQLB-TUAOUCFPSA-N 1 1 355.389 1.114 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC2(F)F)n[nH]1 ZINC001130207704 938746965 /nfs/dbraw/zinc/74/69/65/938746965.db2.gz MTOSIIFGCSEQLB-TUAOUCFPSA-N 1 1 355.389 1.114 20 30 FDEDMO CC[C@H](C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC2CC2)n1 ZINC001130212736 938749471 /nfs/dbraw/zinc/74/94/71/938749471.db2.gz AICJPEHQPPXFPG-BPUTZDHNSA-N 1 1 359.474 1.343 20 30 FDEDMO CC[C@H](C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC2CC2)n[nH]1 ZINC001130212736 938749472 /nfs/dbraw/zinc/74/94/72/938749472.db2.gz AICJPEHQPPXFPG-BPUTZDHNSA-N 1 1 359.474 1.343 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC(C)C)n1 ZINC001130213264 938750511 /nfs/dbraw/zinc/75/05/11/938750511.db2.gz WPSIDXURHIQIDL-HOTGVXAUSA-N 1 1 359.474 1.509 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC(C)C)n[nH]1 ZINC001130213264 938750513 /nfs/dbraw/zinc/75/05/13/938750513.db2.gz WPSIDXURHIQIDL-HOTGVXAUSA-N 1 1 359.474 1.509 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](CC)CC(F)F)n1 ZINC001130216129 938752599 /nfs/dbraw/zinc/75/25/99/938752599.db2.gz NGGBLDUSWDGAHV-AGIUHOORSA-N 1 1 371.432 1.750 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](CC)CC(F)F)n[nH]1 ZINC001130216129 938752601 /nfs/dbraw/zinc/75/26/01/938752601.db2.gz NGGBLDUSWDGAHV-AGIUHOORSA-N 1 1 371.432 1.750 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H](C)SC)n1 ZINC001130200287 938753753 /nfs/dbraw/zinc/75/37/53/938753753.db2.gz GIGAUXJLRUTNFT-IHRRRGAJSA-N 1 1 367.519 1.601 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H](C)SC)n[nH]1 ZINC001130200287 938753754 /nfs/dbraw/zinc/75/37/54/938753754.db2.gz GIGAUXJLRUTNFT-IHRRRGAJSA-N 1 1 367.519 1.601 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=CC2CC2)[nH]1 ZINC001130202842 938755479 /nfs/dbraw/zinc/75/54/79/938755479.db2.gz LLCKIRJTPJOCEX-MRYXHSKJSA-N 1 1 365.865 1.602 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCC(C)(F)F)n1 ZINC001130220742 938756251 /nfs/dbraw/zinc/75/62/51/938756251.db2.gz KIOFJYBGTNVWEO-STQMWFEESA-N 1 1 371.432 1.895 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCC(C)(F)F)n[nH]1 ZINC001130220742 938756253 /nfs/dbraw/zinc/75/62/53/938756253.db2.gz KIOFJYBGTNVWEO-STQMWFEESA-N 1 1 371.432 1.895 20 30 FDEDMO C#Cc1ccc(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCC)n[nH]2)cc1 ZINC001130224870 938758822 /nfs/dbraw/zinc/75/88/22/938758822.db2.gz GLDMFMWWXZAGGY-IRXDYDNUSA-N 1 1 367.453 1.588 20 30 FDEDMO C#Cc1ccc(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCC)n2)cc1 ZINC001130224870 938758823 /nfs/dbraw/zinc/75/88/23/938758823.db2.gz GLDMFMWWXZAGGY-IRXDYDNUSA-N 1 1 367.453 1.588 20 30 FDEDMO 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/nfs/dbraw/zinc/34/79/16/974347916.db2.gz AKEQHAOINGGTTG-UHFFFAOYSA-N 1 1 354.376 1.670 20 30 FDEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2ncc(C(F)(F)F)cc2C)CC1 ZINC000865536494 974347929 /nfs/dbraw/zinc/34/79/29/974347929.db2.gz AKEQHAOINGGTTG-UHFFFAOYSA-N 1 1 354.376 1.670 20 30 FDEDMO C=CCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]2O)CCCC1 ZINC001199567249 974373194 /nfs/dbraw/zinc/37/31/94/974373194.db2.gz NOUZBKAPRFFWHL-BFHYXJOUSA-N 1 1 364.408 1.598 20 30 FDEDMO C=CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]2O)CCCC1 ZINC001199567249 974373201 /nfs/dbraw/zinc/37/32/01/974373201.db2.gz NOUZBKAPRFFWHL-BFHYXJOUSA-N 1 1 364.408 1.598 20 30 FDEDMO N#Cc1cnc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)cn1 ZINC001199664247 974449998 /nfs/dbraw/zinc/44/99/98/974449998.db2.gz BNEKRGWIGIJTHW-SWLSCSKDSA-N 1 1 354.439 1.541 20 30 FDEDMO N#Cc1cnc(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)cn1 ZINC001199664247 974450002 /nfs/dbraw/zinc/45/00/02/974450002.db2.gz BNEKRGWIGIJTHW-SWLSCSKDSA-N 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CC#CC[C@H](CO)NC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000645316795 1014232406 /nfs/dbraw/zinc/23/24/06/1014232406.db2.gz LNGCJGHPOZBKBA-QZTJIDSGSA-N 1 1 358.486 1.271 20 30 FDEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CC(C)(C)C1=O)C2 ZINC001110568512 975085682 /nfs/dbraw/zinc/08/56/82/975085682.db2.gz WBQRSJJAXUGZME-FPCVCCKLSA-N 1 1 361.486 1.848 20 30 FDEDMO N#CCc1ccc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000161744699 975170888 /nfs/dbraw/zinc/17/08/88/975170888.db2.gz ISVFGRLTTWPGOZ-MRXNPFEDSA-N 1 1 351.472 1.268 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC[N@H+]1C ZINC000866357342 975571258 /nfs/dbraw/zinc/57/12/58/975571258.db2.gz SSHPQSRPIKCCPB-SOUVJXGZSA-N 1 1 350.463 1.688 20 30 FDEDMO N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000847606381 975902391 /nfs/dbraw/zinc/90/23/91/975902391.db2.gz CIJVIGJXTYMZKA-GDBMZVCRSA-N 1 1 374.416 1.800 20 30 FDEDMO C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847607399 975903620 /nfs/dbraw/zinc/90/36/20/975903620.db2.gz KCIGXAMLCWDFGM-RDJZCZTQSA-N 1 1 355.438 1.770 20 30 FDEDMO C[N@H+]1CC[C@](O)(CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000847738141 976013573 /nfs/dbraw/zinc/01/35/73/976013573.db2.gz HAWQXSULRAOPOD-KSSFIOAISA-N 1 1 368.478 1.146 20 30 FDEDMO C[N@H+]1CC[C@@H]2CN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]21 ZINC000848195344 976469512 /nfs/dbraw/zinc/46/95/12/976469512.db2.gz SOFLENCNVOBCAP-SJORKVTESA-N 1 1 361.486 1.799 20 30 FDEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000867680480 976620635 /nfs/dbraw/zinc/62/06/35/976620635.db2.gz NXDYUOUMUUFOEC-UHFFFAOYSA-N 1 1 365.455 1.450 20 30 FDEDMO CN1CC[NH+](C2CCN(S(=O)(=O)Cc3ccc(C#N)cc3)CC2)CC1 ZINC000867817409 976932840 /nfs/dbraw/zinc/93/28/40/976932840.db2.gz BPOWPOBGWCLQLX-UHFFFAOYSA-N 1 1 362.499 1.100 20 30 FDEDMO CN(C(=O)CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)C1CCCCC1 ZINC000867951454 977132923 /nfs/dbraw/zinc/13/29/23/977132923.db2.gz IHPGJKWXGIVYSX-LJQANCHMSA-N 1 1 354.454 1.652 20 30 FDEDMO CC(C)[C@H](CNC(=O)N[C@H]1Cc2ccc(C#N)cc2C1)[NH+]1CCOCC1 ZINC000868023084 977209561 /nfs/dbraw/zinc/20/95/61/977209561.db2.gz YQYJKIHCTFXZRP-OALUTQOASA-N 1 1 356.470 1.681 20 30 FDEDMO C[NH+]1CCN(CCCCNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000868049356 977235024 /nfs/dbraw/zinc/23/50/24/977235024.db2.gz UXZGLURVWQYSQT-IBGZPJMESA-N 1 1 355.486 1.352 20 30 FDEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000868359265 977530032 /nfs/dbraw/zinc/53/00/32/977530032.db2.gz WHIRLBFVVZZJAS-OXQOHEQNSA-N 1 1 369.513 1.598 20 30 FDEDMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2cccc(OCC#N)c2)cn1 ZINC000849500635 977694069 /nfs/dbraw/zinc/69/40/69/977694069.db2.gz IEFVPSHMEAVIPZ-ROUUACIJSA-N 1 1 353.426 1.996 20 30 FDEDMO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)C2 ZINC001110616850 978040137 /nfs/dbraw/zinc/04/01/37/978040137.db2.gz TUTIZABCDXBFFI-HZMVEIRTSA-N 1 1 363.502 1.558 20 30 FDEDMO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCOC(C)C)C2 ZINC001111507791 979017998 /nfs/dbraw/zinc/01/79/98/979017998.db2.gz UNZUSMMFFPSYAV-HZMVEIRTSA-N 1 1 351.491 1.604 20 30 FDEDMO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCOC(C)C)C2 ZINC001111507791 979018002 /nfs/dbraw/zinc/01/80/02/979018002.db2.gz UNZUSMMFFPSYAV-HZMVEIRTSA-N 1 1 351.491 1.604 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000968007889 1014554128 /nfs/dbraw/zinc/55/41/28/1014554128.db2.gz BRYVPUCILPHAPG-NXHRZFHOSA-N 1 1 363.502 1.369 20 30 FDEDMO C#CCOCC[NH+]1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000851912434 979186472 /nfs/dbraw/zinc/18/64/72/979186472.db2.gz CBSNRIGJNATFFF-FQEVSTJZSA-N 1 1 355.482 1.445 20 30 FDEDMO C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C[C@@H](C)N1CC#N ZINC000880457959 979207679 /nfs/dbraw/zinc/20/76/79/979207679.db2.gz CFTIJCMLZYIWJX-MBOZVWFJSA-N 1 1 370.497 1.629 20 30 FDEDMO 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/nfs/dbraw/zinc/34/97/62/676349762.db2.gz OJQASQMIHPWXDM-UHFFFAOYSA-N 1 1 370.222 1.598 20 30 FDEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000297957557 676431683 /nfs/dbraw/zinc/43/16/83/676431683.db2.gz UDRNDYPHVLHFHK-KGLIPLIRSA-N 1 1 351.472 1.574 20 30 FDEDMO CC1CCN(CCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000303896796 676543729 /nfs/dbraw/zinc/54/37/29/676543729.db2.gz QFIDFGZSROVIFX-UHFFFAOYSA-N 1 1 353.511 1.586 20 30 FDEDMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2CSC2(C)C)CC1 ZINC000328710819 676603550 /nfs/dbraw/zinc/60/35/50/676603550.db2.gz AVGLJSKHBBQBHO-AWEZNQCLSA-N 1 1 356.536 1.671 20 30 FDEDMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2CSC2(C)C)CC1 ZINC000328710819 676603552 /nfs/dbraw/zinc/60/35/52/676603552.db2.gz AVGLJSKHBBQBHO-AWEZNQCLSA-N 1 1 356.536 1.671 20 30 FDEDMO CC(C)(C(=O)NCC1([NH+]2CCCC2)CCOCC1)S(=O)(=O)C1CC1 ZINC000328826378 676608584 /nfs/dbraw/zinc/60/85/84/676608584.db2.gz SECAVEFQBQFGRS-UHFFFAOYSA-N 1 1 358.504 1.944 20 30 FDEDMO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000328912014 676611922 /nfs/dbraw/zinc/61/19/22/676611922.db2.gz ORWYJGRMUQIZHU-KBMXLJTQSA-N 1 1 352.479 1.983 20 30 FDEDMO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000328912014 676611923 /nfs/dbraw/zinc/61/19/23/676611923.db2.gz ORWYJGRMUQIZHU-KBMXLJTQSA-N 1 1 352.479 1.983 20 30 FDEDMO CC(=O)N1CCC[C@](O)(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000328972846 676614470 /nfs/dbraw/zinc/61/44/70/676614470.db2.gz BXJAINKTBQGBNS-IDHHARJASA-N 1 1 351.491 1.969 20 30 FDEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000329023973 676616580 /nfs/dbraw/zinc/61/65/80/676616580.db2.gz UPQSCOJKLKLVOZ-FZKCQIBNSA-N 1 1 359.536 1.428 20 30 FDEDMO CN(C1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1)S(C)(=O)=O ZINC000329105861 676620374 /nfs/dbraw/zinc/62/03/74/676620374.db2.gz ONORHZPWCKCGGT-UHFFFAOYSA-N 1 1 360.524 1.131 20 30 FDEDMO CC[C@@H]1CN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)CC[N@H+]1CCOC ZINC000329115879 676620971 /nfs/dbraw/zinc/62/09/71/676620971.db2.gz NAKBWTTVPHTQED-JFIYKMOQSA-N 1 1 355.479 1.281 20 30 FDEDMO COCCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CCS(=O)(=O)C1 ZINC000329136341 676622183 /nfs/dbraw/zinc/62/21/83/676622183.db2.gz CSJHADVGZPJUCN-WTXIUTQJSA-N 1 1 373.519 1.051 20 30 FDEDMO O=C(CSc1nnnn1CC(F)(F)F)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000329144294 676622561 /nfs/dbraw/zinc/62/25/61/676622561.db2.gz MVQBHJKYUIBROO-ZJUUUORDSA-N 1 1 364.397 1.911 20 30 FDEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[S@](=O)CC2(C)C)C1 ZINC000329195911 676624463 /nfs/dbraw/zinc/62/44/63/676624463.db2.gz SRLUEALRPKDOIN-MYYSRTQBSA-N 1 1 359.536 1.143 20 30 FDEDMO CC[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H](C)S1(=O)=O ZINC000329240498 676627911 /nfs/dbraw/zinc/62/79/11/676627911.db2.gz RANTYTUYXQGLKF-MOTUXRJWSA-N 1 1 357.520 1.813 20 30 FDEDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000329351429 676634741 /nfs/dbraw/zinc/63/47/41/676634741.db2.gz FJCNIIDESAVDBI-CABCVRRESA-N 1 1 372.535 1.273 20 30 FDEDMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000329405256 676637330 /nfs/dbraw/zinc/63/73/30/676637330.db2.gz BSMRTJMXEXMNSU-CQSZACIVSA-N 1 1 353.463 1.081 20 30 FDEDMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCOCC2(CCOCC2)C1 ZINC000329405256 676637331 /nfs/dbraw/zinc/63/73/31/676637331.db2.gz BSMRTJMXEXMNSU-CQSZACIVSA-N 1 1 353.463 1.081 20 30 FDEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000329468067 676640087 /nfs/dbraw/zinc/64/00/87/676640087.db2.gz XCALJVZUYIGXGF-IAGOWNOFSA-N 1 1 350.507 1.965 20 30 FDEDMO C[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329515030 676642152 /nfs/dbraw/zinc/64/21/52/676642152.db2.gz OHRUARCDPHKBBI-ZFWWWQNUSA-N 1 1 372.535 1.511 20 30 FDEDMO C[C@H](O)CN1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000329541920 676643445 /nfs/dbraw/zinc/64/34/45/676643445.db2.gz NOQKPWCGHRZHLI-YESZJQIVSA-N 1 1 352.523 1.552 20 30 FDEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)C1 ZINC000329579125 676645000 /nfs/dbraw/zinc/64/50/00/676645000.db2.gz UCOLCEQTVZFPKP-XDNAFOTISA-N 1 1 353.507 1.740 20 30 FDEDMO Cc1nnc([C@H](C)NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)s1 ZINC000329591419 676645595 /nfs/dbraw/zinc/64/55/95/676645595.db2.gz UDABGQYFCUKCHR-AAEUAGOBSA-N 1 1 366.491 1.060 20 30 FDEDMO CCN(CC)C(=O)N1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000329787495 676656261 /nfs/dbraw/zinc/65/62/61/676656261.db2.gz YTCDFLPCEPTQRG-GDBMZVCRSA-N 1 1 351.495 1.463 20 30 FDEDMO Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@@H](C)[NH+]2CCSCC2)no1 ZINC000329931852 676664337 /nfs/dbraw/zinc/66/43/37/676664337.db2.gz IMQQTBIFUVVVQM-XBFCOCLRSA-N 1 1 371.482 1.684 20 30 FDEDMO C[C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1Cc1nccn1C)[NH+]1CCSCC1 ZINC000329972076 676666369 /nfs/dbraw/zinc/66/63/69/676666369.db2.gz YVTPTDPGSSVPHD-KKUMJFAQSA-N 1 1 369.510 1.726 20 30 FDEDMO C[C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)[NH+]1CCSCC1 ZINC000329978331 676666836 /nfs/dbraw/zinc/66/68/36/676666836.db2.gz HIQWPUGJWXWIMM-BPUTZDHNSA-N 1 1 369.510 1.726 20 30 FDEDMO COc1ccc([C@H](CNC(=O)N[C@@H]2CC[S@](=O)C2)[NH+]2CCCC2)cc1 ZINC000329985820 676667326 /nfs/dbraw/zinc/66/73/26/676667326.db2.gz DQOUIGVJHQMBAR-FZXICVGQSA-N 1 1 365.499 1.857 20 30 FDEDMO C[C@H](CO[C@H]1CCOC1)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000330200485 676678103 /nfs/dbraw/zinc/67/81/03/676678103.db2.gz AHRKSBZHZSPRSS-VYDXJSESSA-N 1 1 355.479 1.280 20 30 FDEDMO C[C@H](CNC(=O)N[C@H]1CCOC2(CCOCC2)C1)C[NH+]1CCOCC1 ZINC000330254278 676681219 /nfs/dbraw/zinc/68/12/19/676681219.db2.gz JHIMQESJQVJCPO-CVEARBPZSA-N 1 1 355.479 1.187 20 30 FDEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000330379061 676687010 /nfs/dbraw/zinc/68/70/10/676687010.db2.gz SFSOHYVXGFQMPB-HNNXBMFYSA-N 1 1 351.476 1.238 20 30 FDEDMO COC(=O)[C@]1(C)CN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC000330403522 676689266 /nfs/dbraw/zinc/68/92/66/676689266.db2.gz GSHCWNUSGZEFEF-RVKKMQEKSA-N 1 1 355.479 1.388 20 30 FDEDMO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000330580515 676697249 /nfs/dbraw/zinc/69/72/49/676697249.db2.gz QEHOTWGJCQOZGH-AFIMGQEJSA-N 1 1 355.479 1.313 20 30 FDEDMO CC(C)C(=O)NC1CCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000330812009 676704969 /nfs/dbraw/zinc/70/49/69/676704969.db2.gz AXEBGWGRBKPALE-OAHLLOKOSA-N 1 1 354.495 1.105 20 30 FDEDMO CC[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(S(C)(=O)=O)s2)C1 ZINC000330995824 676713492 /nfs/dbraw/zinc/71/34/92/676713492.db2.gz UCOWHCSLSHWPQZ-LBPRGKRZSA-N 1 1 359.517 1.887 20 30 FDEDMO C[C@H](O)C[C@@H]1COCCN1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000331011233 676713652 /nfs/dbraw/zinc/71/36/52/676713652.db2.gz VMXNKEUXIPQPMU-CAOSSQGBSA-N 1 1 357.495 1.260 20 30 FDEDMO C[C@H](O)C[C@@H]1COCCN1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000331011233 676713655 /nfs/dbraw/zinc/71/36/55/676713655.db2.gz VMXNKEUXIPQPMU-CAOSSQGBSA-N 1 1 357.495 1.260 20 30 FDEDMO C[NH+](C)[C@]1(CNC(=O)Nc2cccc(S(C)(=O)=O)c2)CCSC1 ZINC000331113921 676717351 /nfs/dbraw/zinc/71/73/51/676717351.db2.gz KUMZPJYMSLTBTF-HNNXBMFYSA-N 1 1 357.501 1.853 20 30 FDEDMO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(S(=O)(=O)N(C)CCC#N)C1 ZINC000331150868 676718893 /nfs/dbraw/zinc/71/88/93/676718893.db2.gz ZQMNTANUNGYGHR-CQSZACIVSA-N 1 1 371.532 1.296 20 30 FDEDMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(S(=O)(=O)NC)cn2)C1 ZINC000331192931 676721043 /nfs/dbraw/zinc/72/10/43/676721043.db2.gz XSPUDDRTUXLZBS-LBPRGKRZSA-N 1 1 355.464 1.048 20 30 FDEDMO CSC1(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CCOCC1 ZINC000331232842 676723042 /nfs/dbraw/zinc/72/30/42/676723042.db2.gz RJZIGKXHYJAGNZ-AWEZNQCLSA-N 1 1 359.536 1.590 20 30 FDEDMO CCOC(=O)c1cnc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)n1C ZINC000331245789 676723835 /nfs/dbraw/zinc/72/38/35/676723835.db2.gz SJPWTBMTLAQGOE-STQMWFEESA-N 1 1 351.451 1.947 20 30 FDEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2cc(F)c(F)c(F)c2)CC1 ZINC000331256661 676724380 /nfs/dbraw/zinc/72/43/80/676724380.db2.gz WMHFBRRNJXPZKP-UHFFFAOYSA-N 1 1 358.364 1.982 20 30 FDEDMO COC(=O)[C@@H]1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@H]1C ZINC000331275516 676725318 /nfs/dbraw/zinc/72/53/18/676725318.db2.gz QCZUZEPEKHFFGC-HUUCEWRRSA-N 1 1 354.495 1.057 20 30 FDEDMO CC(C)C[C@@]1(CO)CCCN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000331281622 676725460 /nfs/dbraw/zinc/72/54/60/676725460.db2.gz VFMIHBNNNGUOLO-LJQANCHMSA-N 1 1 354.539 1.799 20 30 FDEDMO CC[C@@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)[N@H+]1CCc2ccccc2C1 ZINC000332665047 676743736 /nfs/dbraw/zinc/74/37/36/676743736.db2.gz FIPTVDAEYODRPR-QAPCUYQASA-N 1 1 364.515 1.749 20 30 FDEDMO Cc1csc(NC(=O)[C@H]2CCC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C2)n1 ZINC000361786873 676901613 /nfs/dbraw/zinc/90/16/13/676901613.db2.gz YBIPCCOXWLIPRD-KGLIPLIRSA-N 1 1 363.487 1.863 20 30 FDEDMO CN1CCC[C@]2(CC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)C1=O ZINC000364610451 677035090 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CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(OCC#N)cc1 ZINC001108887827 929445825 /nfs/dbraw/zinc/44/58/25/929445825.db2.gz URQPRCPFOHFNAC-BIGGFVEDSA-N 1 1 370.453 1.335 20 30 FDEDMO CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1C=CCC1)C2 ZINC001108905216 929473618 /nfs/dbraw/zinc/47/36/18/929473618.db2.gz YPFDZBHGIQONSM-MHORFTMASA-N 1 1 358.486 1.826 20 30 FDEDMO CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1C=CCC1)C2 ZINC001108905216 929473626 /nfs/dbraw/zinc/47/36/26/929473626.db2.gz YPFDZBHGIQONSM-MHORFTMASA-N 1 1 358.486 1.826 20 30 FDEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn[nH]1)C2 ZINC001108952984 929612085 /nfs/dbraw/zinc/61/20/85/929612085.db2.gz FUXDLKQPLSIKJB-JHNDHUHGSA-N 1 1 359.474 1.558 20 30 FDEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn[nH]1)C2 ZINC001108952984 929612094 /nfs/dbraw/zinc/61/20/94/929612094.db2.gz FUXDLKQPLSIKJB-JHNDHUHGSA-N 1 1 359.474 1.558 20 30 FDEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc3n[nH]cc3c1)C2 ZINC001109514634 929636944 /nfs/dbraw/zinc/63/69/44/929636944.db2.gz UIWQMGNEDDABFZ-NEWSRXKRSA-N 1 1 352.438 1.477 20 30 FDEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc3n[nH]cc3c1)C2 ZINC001109514634 929636949 /nfs/dbraw/zinc/63/69/49/929636949.db2.gz UIWQMGNEDDABFZ-NEWSRXKRSA-N 1 1 352.438 1.477 20 30 FDEDMO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)cncc1C)C2 ZINC001109517105 929655909 /nfs/dbraw/zinc/65/59/09/929655909.db2.gz VYLZDGCQGDNDRR-YVSFHVDLSA-N 1 1 356.470 1.724 20 30 FDEDMO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)cncc1C)C2 ZINC001109517105 929655915 /nfs/dbraw/zinc/65/59/15/929655915.db2.gz VYLZDGCQGDNDRR-YVSFHVDLSA-N 1 1 356.470 1.724 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(F)c[nH]1)C2 ZINC001109533171 929665440 /nfs/dbraw/zinc/66/54/40/929665440.db2.gz GWAOSRHPFPZWLS-VYDXJSESSA-N 1 1 360.433 1.690 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(F)c[nH]1)C2 ZINC001109533171 929665443 /nfs/dbraw/zinc/66/54/43/929665443.db2.gz GWAOSRHPFPZWLS-VYDXJSESSA-N 1 1 360.433 1.690 20 30 FDEDMO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnc3ccccc3n1)C2 ZINC001109527686 929679682 /nfs/dbraw/zinc/67/96/82/929679682.db2.gz GTQBZFSBNQVMFB-COXVUDFISA-N 1 1 353.426 1.563 20 30 FDEDMO CCc1noc(C)c1C(C)=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000769798278 929684037 /nfs/dbraw/zinc/68/40/37/929684037.db2.gz SZIWHUYLYOWGGT-UHFFFAOYSA-N 1 1 353.492 1.456 20 30 FDEDMO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)nc1[C@H]1CCOC1)C2 ZINC001109563018 929782228 /nfs/dbraw/zinc/78/22/28/929782228.db2.gz FCWAKIMVRRTLNV-MVJTYMMSSA-N 1 1 374.485 1.462 20 30 FDEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c(C)nn(C)c1C)C2 ZINC001109575950 929817130 /nfs/dbraw/zinc/81/71/30/929817130.db2.gz GAAMHTQKNRONTK-NEWSRXKRSA-N 1 1 358.486 1.341 20 30 FDEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c(C)nn(C)c1C)C2 ZINC001109575950 929817145 /nfs/dbraw/zinc/81/71/45/929817145.db2.gz GAAMHTQKNRONTK-NEWSRXKRSA-N 1 1 358.486 1.341 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(CCC)n[nH]1)C2 ZINC001109585141 929857261 /nfs/dbraw/zinc/85/72/61/929857261.db2.gz FSZIFGHTNJSSPE-UTXMOHQDSA-N 1 1 359.474 1.388 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(CCC)n[nH]1)C2 ZINC001109585141 929857268 /nfs/dbraw/zinc/85/72/68/929857268.db2.gz FSZIFGHTNJSSPE-UTXMOHQDSA-N 1 1 359.474 1.388 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3c[nH]nc31)C2 ZINC001109586187 929862785 /nfs/dbraw/zinc/86/27/85/929862785.db2.gz MFHVSDARNRHZSF-IRWJRLHMSA-N 1 1 365.437 1.036 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3c[nH]nc31)C2 ZINC001109586187 929862791 /nfs/dbraw/zinc/86/27/91/929862791.db2.gz MFHVSDARNRHZSF-IRWJRLHMSA-N 1 1 365.437 1.036 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)C(=O)NCC=C)cc1 ZINC001109587340 929867318 /nfs/dbraw/zinc/86/73/18/929867318.db2.gz CTNNBRAYODTIHQ-OAOYMFHYSA-N 1 1 351.450 1.694 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)C(=O)NCC=C)cc1 ZINC001109587340 929867322 /nfs/dbraw/zinc/86/73/22/929867322.db2.gz CTNNBRAYODTIHQ-OAOYMFHYSA-N 1 1 351.450 1.694 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(C)ccc1C)C2 ZINC001109668924 930095577 /nfs/dbraw/zinc/09/55/77/930095577.db2.gz HNMLSHARHNUBDC-LMCOJAPRSA-N 1 1 367.493 1.705 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(C)ccc1C)C2 ZINC001109668924 930095590 /nfs/dbraw/zinc/09/55/90/930095590.db2.gz HNMLSHARHNUBDC-LMCOJAPRSA-N 1 1 367.493 1.705 20 30 FDEDMO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN(C)S(C)(=O)=O)CC1 ZINC001109682155 930122348 /nfs/dbraw/zinc/12/23/48/930122348.db2.gz VSMILWJFSRREDE-PMPSAXMXSA-N 1 1 369.531 1.346 20 30 FDEDMO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN(C)S(C)(=O)=O)CC1 ZINC001109682155 930122353 /nfs/dbraw/zinc/12/23/53/930122353.db2.gz VSMILWJFSRREDE-PMPSAXMXSA-N 1 1 369.531 1.346 20 30 FDEDMO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CCC2=O)CC1 ZINC001109681851 930122360 /nfs/dbraw/zinc/12/23/60/930122360.db2.gz KJENWTBEHFCUOC-PMPSAXMXSA-N 1 1 359.470 1.603 20 30 FDEDMO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCNS(=O)(=O)CC ZINC001109683627 930124607 /nfs/dbraw/zinc/12/46/07/930124607.db2.gz VLCXDKTWJOHDCT-MUQADHOPSA-N 1 1 371.547 1.640 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1N(C)C)C2 ZINC001111500832 930176555 /nfs/dbraw/zinc/17/65/55/930176555.db2.gz XDINCTNOWDRZJL-MGTHKWJCSA-N 1 1 368.481 1.226 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1N(C)C)C2 ZINC001111500832 930176560 /nfs/dbraw/zinc/17/65/60/930176560.db2.gz XDINCTNOWDRZJL-MGTHKWJCSA-N 1 1 368.481 1.226 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccc3[nH]ccc31)C2 ZINC001109733268 930271067 /nfs/dbraw/zinc/27/10/67/930271067.db2.gz LFQNYJYXTNFXCI-RMHZUWNSSA-N 1 1 365.437 1.036 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccc3[nH]ccc31)C2 ZINC001109733268 930271071 /nfs/dbraw/zinc/27/10/71/930271071.db2.gz LFQNYJYXTNFXCI-RMHZUWNSSA-N 1 1 365.437 1.036 20 30 FDEDMO C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C(F)(F)F)CC2)C3)C1=O ZINC001109753004 930336946 /nfs/dbraw/zinc/33/69/46/930336946.db2.gz DROIJNWRCCDOQR-ZOBORPQBSA-N 1 1 371.403 1.837 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C(F)(F)F)CC2)C3)C1=O ZINC001109753004 930336953 /nfs/dbraw/zinc/33/69/53/930336953.db2.gz DROIJNWRCCDOQR-ZOBORPQBSA-N 1 1 371.403 1.837 20 30 FDEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C2 ZINC001109762946 930357826 /nfs/dbraw/zinc/35/78/26/930357826.db2.gz ILTYHQHNDAQTLU-WCVJEAGWSA-N 1 1 357.520 1.392 20 30 FDEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCOCC ZINC001109806159 930467616 /nfs/dbraw/zinc/46/76/16/930467616.db2.gz QBLODEAPUKHJRD-OWSLCNJRSA-N 1 1 351.491 1.605 20 30 FDEDMO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(CCC)[nH]c(=O)c1)C2 ZINC001109817963 930500859 /nfs/dbraw/zinc/50/08/59/930500859.db2.gz SYMAADMNOMBTGU-IKGGRYGDSA-N 1 1 372.469 1.377 20 30 FDEDMO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(CCC)[nH]c(=O)c1)C2 ZINC001109817963 930500861 /nfs/dbraw/zinc/50/08/61/930500861.db2.gz SYMAADMNOMBTGU-IKGGRYGDSA-N 1 1 372.469 1.377 20 30 FDEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3cccc(C)c3n1)C2 ZINC001109839999 930551386 /nfs/dbraw/zinc/55/13/86/930551386.db2.gz GNBMACYEOGOFMD-QYZOEREBSA-N 1 1 366.465 1.557 20 30 FDEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3cccc(C)c3n1)C2 ZINC001109839999 930551394 /nfs/dbraw/zinc/55/13/94/930551394.db2.gz GNBMACYEOGOFMD-QYZOEREBSA-N 1 1 366.465 1.557 20 30 FDEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cccn3)c1)C2 ZINC001109845209 930581678 /nfs/dbraw/zinc/58/16/78/930581678.db2.gz ZGDXXGHRMWVHMO-HOJAQTOUSA-N 1 1 364.449 1.857 20 30 FDEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cccn3)c1)C2 ZINC001109845209 930581686 /nfs/dbraw/zinc/58/16/86/930581686.db2.gz ZGDXXGHRMWVHMO-HOJAQTOUSA-N 1 1 364.449 1.857 20 30 FDEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1ccccc1)C2 ZINC001109858656 930613862 /nfs/dbraw/zinc/61/38/62/930613862.db2.gz BSWLLEMSIXPHEP-AABGKKOBSA-N 1 1 355.482 1.884 20 30 FDEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1ccccc1)C2 ZINC001109858656 930613867 /nfs/dbraw/zinc/61/38/67/930613867.db2.gz BSWLLEMSIXPHEP-AABGKKOBSA-N 1 1 355.482 1.884 20 30 FDEDMO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3ccncc3)c1)C2 ZINC001109890136 930692506 /nfs/dbraw/zinc/69/25/06/930692506.db2.gz IZULMKHUECGGGL-QYZOEREBSA-N 1 1 367.453 1.805 20 30 FDEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OCCOC)cc1)C2 ZINC001109938195 930843825 /nfs/dbraw/zinc/84/38/25/930843825.db2.gz SJWPEZAGPPPSOX-HOJAQTOUSA-N 1 1 372.465 1.697 20 30 FDEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OCCOC)cc1)C2 ZINC001109938195 930843828 /nfs/dbraw/zinc/84/38/28/930843828.db2.gz SJWPEZAGPPPSOX-HOJAQTOUSA-N 1 1 372.465 1.697 20 30 FDEDMO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1-c1cnn(C)c1)C2 ZINC001109962081 930895198 /nfs/dbraw/zinc/89/51/98/930895198.db2.gz NVXYKQFGHOZEFO-PVAVHDDUSA-N 1 1 370.457 1.348 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccccc1OC)C2 ZINC001110068454 931352995 /nfs/dbraw/zinc/35/29/95/931352995.db2.gz DOMDESBGODXSEW-BGTYHANMSA-N 1 1 369.465 1.097 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccccc1OC)C2 ZINC001110068454 931353002 /nfs/dbraw/zinc/35/30/02/931353002.db2.gz DOMDESBGODXSEW-BGTYHANMSA-N 1 1 369.465 1.097 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(C)c(C)c1)C2 ZINC001110073304 931381782 /nfs/dbraw/zinc/38/17/82/931381782.db2.gz PYJZZMWIFRNASR-RNQOJCNYSA-N 1 1 367.493 1.705 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(C)c(C)c1)C2 ZINC001110073304 931381789 /nfs/dbraw/zinc/38/17/89/931381789.db2.gz PYJZZMWIFRNASR-RNQOJCNYSA-N 1 1 367.493 1.705 20 30 FDEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)CN(C)C1=O)C2 ZINC001110074414 931385524 /nfs/dbraw/zinc/38/55/24/931385524.db2.gz SOVJBOVKXDYOEK-PMPSAXMXSA-N 1 1 364.490 1.572 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccc3[nH]1)C2 ZINC001110075264 931390992 /nfs/dbraw/zinc/39/09/92/931390992.db2.gz NZIUXUCDJYCZRT-OVLVRJBISA-N 1 1 364.449 1.641 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccc3[nH]1)C2 ZINC001110075264 931390998 /nfs/dbraw/zinc/39/09/98/931390998.db2.gz NZIUXUCDJYCZRT-OVLVRJBISA-N 1 1 364.449 1.641 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)NC2(CO)CCN(c3ccc(C#N)nc3)CC2)CC[N@H+]1C ZINC001112679498 932171149 /nfs/dbraw/zinc/17/11/49/932171149.db2.gz LJSHGMHKEKNVPE-ZWKOTPCHSA-N 1 1 371.485 1.131 20 30 FDEDMO C=C(Br)CNC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000787641007 932354025 /nfs/dbraw/zinc/35/40/25/932354025.db2.gz SGDVLLJTQJXZGO-LLVKDONJSA-N 1 1 360.277 1.492 20 30 FDEDMO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)nnn3CC)C2 ZINC001110084561 932503524 /nfs/dbraw/zinc/50/35/24/932503524.db2.gz DMUFIMWHNSKAKE-RYRKJORJSA-N 1 1 369.469 1.989 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c(C)noc1C)C2 ZINC001110086314 932685129 /nfs/dbraw/zinc/68/51/29/932685129.db2.gz VOAXNNOYUWXUIP-WCZJQEMASA-N 1 1 374.485 1.636 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c(C)noc1C)C2 ZINC001110086314 932685133 /nfs/dbraw/zinc/68/51/33/932685133.db2.gz VOAXNNOYUWXUIP-WCZJQEMASA-N 1 1 374.485 1.636 20 30 FDEDMO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000789340250 932997804 /nfs/dbraw/zinc/99/78/04/932997804.db2.gz MVESKSWGPAXVRN-HNNXBMFYSA-N 1 1 355.442 1.073 20 30 FDEDMO CN(C)C(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001086581848 933308123 /nfs/dbraw/zinc/30/81/23/933308123.db2.gz OQVAYHCFCQWPQS-FUHWJXTLSA-N 1 1 365.437 1.172 20 30 FDEDMO CN(C)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001086581848 933308133 /nfs/dbraw/zinc/30/81/33/933308133.db2.gz OQVAYHCFCQWPQS-FUHWJXTLSA-N 1 1 365.437 1.172 20 30 FDEDMO COCC[N@H+](CCC(=O)OC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000790289959 933448754 /nfs/dbraw/zinc/44/87/54/933448754.db2.gz MMUMQSZMBIGJHQ-QGZVFWFLSA-N 1 1 359.426 1.565 20 30 FDEDMO COCC[N@@H+](CCC(=O)OC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000790289959 933448769 /nfs/dbraw/zinc/44/87/69/933448769.db2.gz MMUMQSZMBIGJHQ-QGZVFWFLSA-N 1 1 359.426 1.565 20 30 FDEDMO C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2COCCN2C)C1 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IXRFZINVZVLBCH-IHRRRGAJSA-N 1 1 365.503 1.048 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2C=CCCC2)n1 ZINC001130220854 938756420 /nfs/dbraw/zinc/75/64/20/938756420.db2.gz OVDGDJGUCSVJJB-IKGGRYGDSA-N 1 1 371.485 1.653 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H]2C=CCCC2)n[nH]1 ZINC001130220854 938756421 /nfs/dbraw/zinc/75/64/21/938756421.db2.gz OVDGDJGUCSVJJB-IKGGRYGDSA-N 1 1 371.485 1.653 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(CC)o2)n1 ZINC001130220856 938756573 /nfs/dbraw/zinc/75/65/73/938756573.db2.gz OXODFAJVYWIZDG-HOCLYGCPSA-N 1 1 371.441 1.376 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(CC)o2)n[nH]1 ZINC001130220856 938756575 /nfs/dbraw/zinc/75/65/75/938756575.db2.gz OXODFAJVYWIZDG-HOCLYGCPSA-N 1 1 371.441 1.376 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccn2CC=C)n1 ZINC001130220826 938756581 /nfs/dbraw/zinc/75/65/81/938756581.db2.gz NDMSRVWTSITHTD-HOCLYGCPSA-N 1 1 370.457 1.370 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccn2CC=C)n[nH]1 ZINC001130220826 938756582 /nfs/dbraw/zinc/75/65/82/938756582.db2.gz NDMSRVWTSITHTD-HOCLYGCPSA-N 1 1 370.457 1.370 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC23CC3)[nH]1 ZINC001130240099 938760640 /nfs/dbraw/zinc/76/06/40/938760640.db2.gz IOFPQWFCCUCCMZ-XQQFMLRXSA-N 1 1 365.865 1.436 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)[nH]c2C)n1 ZINC001130240100 938760672 /nfs/dbraw/zinc/76/06/72/938760672.db2.gz IPHHXFSRYGTSQK-HOCLYGCPSA-N 1 1 370.457 1.165 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)[nH]c2C)n[nH]1 ZINC001130240100 938760674 /nfs/dbraw/zinc/76/06/74/938760674.db2.gz IPHHXFSRYGTSQK-HOCLYGCPSA-N 1 1 370.457 1.165 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC2(C)C)n1 ZINC001130229955 938763326 /nfs/dbraw/zinc/76/33/26/938763326.db2.gz KCIXPTZWGZMUBD-ZNMIVQPWSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CCC2(C)C)n[nH]1 ZINC001130229955 938763327 /nfs/dbraw/zinc/76/33/27/938763327.db2.gz KCIXPTZWGZMUBD-ZNMIVQPWSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC2(C)C)n1 ZINC001130229954 938763379 /nfs/dbraw/zinc/76/33/79/938763379.db2.gz KCIXPTZWGZMUBD-KKUMJFAQSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CCC2(C)C)n[nH]1 ZINC001130229954 938763380 /nfs/dbraw/zinc/76/33/80/938763380.db2.gz KCIXPTZWGZMUBD-KKUMJFAQSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccnc2C)n1 ZINC001130232443 938765065 /nfs/dbraw/zinc/76/50/65/938765065.db2.gz HSQAZNYVVRFECA-GJZGRUSLSA-N 1 1 356.430 1.086 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccnc2C)n[nH]1 ZINC001130232443 938765067 /nfs/dbraw/zinc/76/50/67/938765067.db2.gz HSQAZNYVVRFECA-GJZGRUSLSA-N 1 1 356.430 1.086 20 30 FDEDMO C=C1CCC(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CC#CC)[nH]2)CC1 ZINC001130234882 938766331 /nfs/dbraw/zinc/76/63/31/938766331.db2.gz NKHXUVIWBSBCCX-IRXDYDNUSA-N 1 1 371.485 1.653 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2CC(C)C)[nH]1 ZINC001130237724 938767210 /nfs/dbraw/zinc/76/72/10/938767210.db2.gz BHGMMBZFFMDNAE-QXSJWSMHSA-N 1 1 359.474 1.198 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@](C)(CC)CCC)[nH]1 ZINC001130244868 938770470 /nfs/dbraw/zinc/77/04/70/938770470.db2.gz OMARBGQURKXAMH-DOXZYTNZSA-N 1 1 361.490 1.733 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2nocc2C)n1 ZINC001130245276 938771039 /nfs/dbraw/zinc/77/10/39/938771039.db2.gz YWOSOLOAMGZJLL-STQMWFEESA-N 1 1 360.418 1.069 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2nocc2C)n[nH]1 ZINC001130245276 938771041 /nfs/dbraw/zinc/77/10/41/938771041.db2.gz YWOSOLOAMGZJLL-STQMWFEESA-N 1 1 360.418 1.069 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C)cc2C)n1 ZINC001130249290 938773609 /nfs/dbraw/zinc/77/36/09/938773609.db2.gz WCJSHVQSEPYDLL-IRXDYDNUSA-N 1 1 369.469 2.000 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C)cc2C)n[nH]1 ZINC001130249290 938773611 /nfs/dbraw/zinc/77/36/11/938773611.db2.gz WCJSHVQSEPYDLL-IRXDYDNUSA-N 1 1 369.469 2.000 20 30 FDEDMO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000805779601 938823042 /nfs/dbraw/zinc/82/30/42/938823042.db2.gz ARGPBCHYGKDOTC-PKOBYXMFSA-N 1 1 371.481 1.900 20 30 FDEDMO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000805779601 938823044 /nfs/dbraw/zinc/82/30/44/938823044.db2.gz ARGPBCHYGKDOTC-PKOBYXMFSA-N 1 1 371.481 1.900 20 30 FDEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001130430626 938845765 /nfs/dbraw/zinc/84/57/65/938845765.db2.gz FFCKWLHMMGJYAQ-HYVNUMGLSA-N 1 1 371.485 1.164 20 30 FDEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001130430626 938845767 /nfs/dbraw/zinc/84/57/67/938845767.db2.gz FFCKWLHMMGJYAQ-HYVNUMGLSA-N 1 1 371.485 1.164 20 30 FDEDMO C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nccn2CC)C1 ZINC001130578557 939890993 /nfs/dbraw/zinc/89/09/93/939890993.db2.gz SVFARORYCARGRO-FUHWJXTLSA-N 1 1 368.485 1.524 20 30 FDEDMO C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cc(OC)no2)C1 ZINC001130580464 939892944 /nfs/dbraw/zinc/89/29/44/939892944.db2.gz GZFZBJDAIHDAQY-DOTOQJQBSA-N 1 1 371.441 1.304 20 30 FDEDMO Cn1cnc([C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2[NH2+]Cc2ccn(C)n2)c1 ZINC001130592788 939899555 /nfs/dbraw/zinc/89/95/55/939899555.db2.gz FAFKBFJAEIAWNI-FUHWJXTLSA-N 1 1 368.485 1.287 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](OCC)C2CC2)C[C@H]1c1cn(C)cn1 ZINC001130594652 939901801 /nfs/dbraw/zinc/90/18/01/939901801.db2.gz SZZSHTJXEGFLFC-USXIJHARSA-N 1 1 366.893 1.872 20 30 FDEDMO C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1c1cn(C)cn1 ZINC001130637634 939939448 /nfs/dbraw/zinc/93/94/48/939939448.db2.gz DAXVXGNMZVPTJB-DOTOQJQBSA-N 1 1 371.489 1.791 20 30 FDEDMO C#Cc1cncc(C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000806542443 939957134 /nfs/dbraw/zinc/95/71/34/939957134.db2.gz SFTWMDOWCGYMOA-UHFFFAOYSA-N 1 1 362.433 1.632 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCOC)C[C@H]1c1cn(C)cn1 ZINC001130685102 939974581 /nfs/dbraw/zinc/97/45/81/939974581.db2.gz DLNOGULYNYZBBX-IJEWVQPXSA-N 1 1 370.881 1.108 20 30 FDEDMO C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CCC3)n[nH]2)O1 ZINC001130744707 940048395 /nfs/dbraw/zinc/04/83/95/940048395.db2.gz ITHUPAIWUUWPKS-LSDHHAIUSA-N 1 1 363.462 1.233 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CCCCC3)n[nH]2)O1 ZINC001130749441 940056133 /nfs/dbraw/zinc/05/61/33/940056133.db2.gz HMQBLHIAEYXISV-JKSUJKDBSA-N 1 1 359.474 1.834 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CSC)n[nH]2)O1 ZINC001130753202 940062514 /nfs/dbraw/zinc/06/25/14/940062514.db2.gz WTHNPAQONGNTNO-QWHCGFSZSA-N 1 1 353.492 1.560 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CCCO3)n[nH]2)O1 ZINC001130753204 940062872 /nfs/dbraw/zinc/06/28/72/940062872.db2.gz WVJUVZTVOLIWDO-ZNMIVQPWSA-N 1 1 363.462 1.376 20 30 FDEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCOC)n[nH]2)O1 ZINC001130754269 940065688 /nfs/dbraw/zinc/06/56/88/940065688.db2.gz BLXVSQUBLLVJFZ-SOUVJXGZSA-N 1 1 365.478 1.622 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COC(C)C)n[nH]2)O1 ZINC001130761642 940067750 /nfs/dbraw/zinc/06/77/50/940067750.db2.gz FIWOXDQRGPKCQE-LSDHHAIUSA-N 1 1 365.478 1.622 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCSC)n[nH]2)O1 ZINC001130757595 940082070 /nfs/dbraw/zinc/08/20/70/940082070.db2.gz BALJPSUSVOSQSK-QWHCGFSZSA-N 1 1 351.476 1.007 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CSCC#N)n[nH]2)O1 ZINC001130757815 940082756 /nfs/dbraw/zinc/08/27/56/940082756.db2.gz HUBTURFKEMRMLK-QWHCGFSZSA-N 1 1 364.475 1.063 20 30 FDEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C[C@@H](C)CC)O2)n1 ZINC001130767495 940101593 /nfs/dbraw/zinc/10/15/93/940101593.db2.gz KXLOWPVOGHSZSB-SOUVJXGZSA-N 1 1 365.478 1.479 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CCCCCC3)n[nH]2)O1 ZINC001130769841 940107786 /nfs/dbraw/zinc/10/77/86/940107786.db2.gz QRMKEAXLNAIXGU-JKSUJKDBSA-N 1 1 359.474 1.834 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)CSC)n[nH]2)O1 ZINC001130772553 940112747 /nfs/dbraw/zinc/11/27/47/940112747.db2.gz RLFFLOCYHZHEAB-MELADBBJSA-N 1 1 365.503 1.253 20 30 FDEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C#CC3CC3)n[nH]2)O1 ZINC001130785243 940119534 /nfs/dbraw/zinc/11/95/34/940119534.db2.gz HFLZCBXRQJTILQ-BHYGNILZSA-N 1 1 371.485 1.999 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(C(F)F)CC3)n[nH]2)O1 ZINC001130785450 940120199 /nfs/dbraw/zinc/12/01/99/940120199.db2.gz NSFMEVZGHSNZGI-NWDGAFQWSA-N 1 1 369.416 1.852 20 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360.421 1.345 20 30 FDEDMO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001086590956 933716474 /nfs/dbraw/zinc/71/64/74/933716474.db2.gz JZDHKYGVNYMNEF-HSALFYBXSA-N 1 1 367.493 1.708 20 30 FDEDMO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001086590956 933716476 /nfs/dbraw/zinc/71/64/76/933716476.db2.gz JZDHKYGVNYMNEF-HSALFYBXSA-N 1 1 367.493 1.708 20 30 FDEDMO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001086591539 933773480 /nfs/dbraw/zinc/77/34/80/933773480.db2.gz QZGLKJHHQATQBY-CEXWTWQISA-N 1 1 367.493 1.851 20 30 FDEDMO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001086591539 933773487 /nfs/dbraw/zinc/77/34/87/933773487.db2.gz QZGLKJHHQATQBY-CEXWTWQISA-N 1 1 367.493 1.851 20 30 FDEDMO C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001086595983 933925730 /nfs/dbraw/zinc/92/57/30/933925730.db2.gz FDCOXOXZPWVNMS-ZWKOTPCHSA-N 1 1 369.469 1.132 20 30 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C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2ccccc2C)[C@@H](n2ccnn2)C1 ZINC001129470840 938430326 /nfs/dbraw/zinc/43/03/26/938430326.db2.gz OTMDTQNBLMLGPC-RLLQIKCJSA-N 1 1 365.481 1.830 20 30 FDEDMO C=CC[N@H+]1C[C@@H](NC(=O)CCc2cccc(OCC)c2)[C@@H](n2ccnn2)C1 ZINC001129471258 938430803 /nfs/dbraw/zinc/43/08/03/938430803.db2.gz VRKMLQTYGRNZKV-MOPGFXCFSA-N 1 1 369.469 1.837 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CCc2cccc(OCC)c2)[C@@H](n2ccnn2)C1 ZINC001129471258 938430804 /nfs/dbraw/zinc/43/08/04/938430804.db2.gz VRKMLQTYGRNZKV-MOPGFXCFSA-N 1 1 369.469 1.837 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CN(C)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129482400 938434555 /nfs/dbraw/zinc/43/45/55/938434555.db2.gz WDPSUEAWTBHVJP-MOPGFXCFSA-N 1 1 368.485 1.328 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CN(C)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129482400 938434556 /nfs/dbraw/zinc/43/45/56/938434556.db2.gz WDPSUEAWTBHVJP-MOPGFXCFSA-N 1 1 368.485 1.328 20 30 FDEDMO 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CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001086625634 938532453 /nfs/dbraw/zinc/53/24/53/938532453.db2.gz OJHDNKYHPPRYPB-GBESFXJTSA-N 1 1 363.465 1.448 20 30 FDEDMO C=C(C)CCC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)nc2)[C@@H](n2ccnn2)C1 ZINC001129879166 938536544 /nfs/dbraw/zinc/53/65/44/938536544.db2.gz VPGPUHAZDRVMCH-SJORKVTESA-N 1 1 355.446 1.275 20 30 FDEDMO C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]Cc2conc2C)[C@@H](n2ccnn2)C1 ZINC001129874681 938545899 /nfs/dbraw/zinc/54/58/99/938545899.db2.gz MPWIRKJRXIYETO-CVEARBPZSA-N 1 1 358.446 1.719 20 30 FDEDMO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001086625843 938550540 /nfs/dbraw/zinc/55/05/40/938550540.db2.gz CMUAQQVQSNNCAX-QFBILLFUSA-N 1 1 362.433 1.402 20 30 FDEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001086625843 938550541 /nfs/dbraw/zinc/55/05/41/938550541.db2.gz CMUAQQVQSNNCAX-QFBILLFUSA-N 1 1 362.433 1.402 20 30 FDEDMO 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FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC2(OC)CCC2)n1 ZINC001130205129 938745945 /nfs/dbraw/zinc/74/59/45/938745945.db2.gz RORQNFTUDARAPP-KBPBESRZSA-N 1 1 363.462 1.028 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC2(OC)CCC2)n[nH]1 ZINC001130205129 938745947 /nfs/dbraw/zinc/74/59/47/938745947.db2.gz RORQNFTUDARAPP-KBPBESRZSA-N 1 1 363.462 1.028 20 30 FDEDMO C#CCCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCC)n[nH]1 ZINC001130205457 938746075 /nfs/dbraw/zinc/74/60/75/938746075.db2.gz ZTHNNYQBGVBNMW-HOTGVXAUSA-N 1 1 361.490 1.877 20 30 FDEDMO C#CCCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCC)n1 ZINC001130205457 938746076 /nfs/dbraw/zinc/74/60/76/938746076.db2.gz ZTHNNYQBGVBNMW-HOTGVXAUSA-N 1 1 361.490 1.877 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)CCCC)[nH]1 ZINC001130207699 938747050 /nfs/dbraw/zinc/74/70/50/938747050.db2.gz MNNKICBHTNIQHJ-JYJNAYRXSA-N 1 1 361.490 1.733 20 30 FDEDMO O=C(C#CC1CC1)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CCC2)n[nH]1 ZINC001130212909 938749966 /nfs/dbraw/zinc/74/99/66/938749966.db2.gz KFMLSHFSQMPVOM-HOTGVXAUSA-N 1 1 357.458 1.097 20 30 FDEDMO O=C(C#CC1CC1)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CCC2)n1 ZINC001130212909 938749967 /nfs/dbraw/zinc/74/99/67/938749967.db2.gz KFMLSHFSQMPVOM-HOTGVXAUSA-N 1 1 357.458 1.097 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]2(C)CC=CCC2)n1 ZINC001130213247 938750200 /nfs/dbraw/zinc/75/02/00/938750200.db2.gz VUOWOKIOUSLBIM-YZVOILCLSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@]2(C)CC=CCC2)n[nH]1 ZINC001130213247 938750202 /nfs/dbraw/zinc/75/02/02/938750202.db2.gz VUOWOKIOUSLBIM-YZVOILCLSA-N 1 1 359.474 1.815 20 30 FDEDMO C#CCCCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CC)[nH]1 ZINC001130224919 938758809 /nfs/dbraw/zinc/75/88/09/938758809.db2.gz ISSYNUODVGGHSB-IRXDYDNUSA-N 1 1 371.485 1.490 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC23CC3)[nH]1 ZINC001130240098 938760778 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SWDVZEZGYYBABV-GJZGRUSLSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)(C)C2CCC2)n[nH]1 ZINC001130230341 938763843 /nfs/dbraw/zinc/76/38/43/938763843.db2.gz SWDVZEZGYYBABV-GJZGRUSLSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)C(F)F)n1 ZINC001130234907 938766101 /nfs/dbraw/zinc/76/61/01/938766101.db2.gz OPWXFAUXXPVZCT-QWRGUYRKSA-N 1 1 357.405 1.360 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)(C)C(F)F)n[nH]1 ZINC001130234907 938766104 /nfs/dbraw/zinc/76/61/04/938766104.db2.gz OPWXFAUXXPVZCT-QWRGUYRKSA-N 1 1 357.405 1.360 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CF)CCC2)n1 ZINC001130238184 938767709 /nfs/dbraw/zinc/76/77/09/938767709.db2.gz XWOHUNZAVIUZEA-KBPBESRZSA-N 1 1 363.437 1.046 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(CF)CCC2)n[nH]1 ZINC001130238184 938767711 /nfs/dbraw/zinc/76/77/11/938767711.db2.gz XWOHUNZAVIUZEA-KBPBESRZSA-N 1 1 363.437 1.046 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)CC(C)C)n1 ZINC001130244467 938770542 /nfs/dbraw/zinc/77/05/42/938770542.db2.gz IWDXNIFLYADCSX-PMPSAXMXSA-N 1 1 361.490 1.589 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)CC(C)C)n[nH]1 ZINC001130244467 938770544 /nfs/dbraw/zinc/77/05/44/938770544.db2.gz IWDXNIFLYADCSX-PMPSAXMXSA-N 1 1 361.490 1.589 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)c2ccccc2)n1 ZINC001130249169 938773685 /nfs/dbraw/zinc/77/36/85/938773685.db2.gz NJARHNBRAGEYQW-XIRDDKMYSA-N 1 1 369.469 1.873 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)c2ccccc2)n[nH]1 ZINC001130249169 938773686 /nfs/dbraw/zinc/77/36/86/938773686.db2.gz NJARHNBRAGEYQW-XIRDDKMYSA-N 1 1 369.469 1.873 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCCCC)[nH]1 ZINC001130249307 938773714 /nfs/dbraw/zinc/77/37/14/938773714.db2.gz XBTFOIOWLHANLM-HOTGVXAUSA-N 1 1 361.490 1.877 20 30 FDEDMO COCC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001130423537 938844254 /nfs/dbraw/zinc/84/42/54/938844254.db2.gz RSGLEYPOPYQERF-HLLBOEOZSA-N 1 1 360.458 1.033 20 30 FDEDMO C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cscn2)C1 ZINC001130581219 939894072 /nfs/dbraw/zinc/89/40/72/939894072.db2.gz ZTPHHALBMFPRHD-DOTOQJQBSA-N 1 1 357.483 1.764 20 30 FDEDMO C=CC(C)(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001130604504 939916240 /nfs/dbraw/zinc/91/62/40/939916240.db2.gz DYONHYKBFPQKQK-FUHWJXTLSA-N 1 1 370.501 1.840 20 30 FDEDMO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1c1cn(C)cn1 ZINC001130637952 939940272 /nfs/dbraw/zinc/94/02/72/939940272.db2.gz TUKPLLXVVRMBMX-IVMMDQJWSA-N 1 1 357.462 1.399 20 30 FDEDMO C=C(C)[C@@H](CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(CC)n2)C[C@H]1O)OCC ZINC001090493014 940042303 /nfs/dbraw/zinc/04/23/03/940042303.db2.gz JWYNEKBXCNTYHH-BZUAXINKSA-N 1 1 362.474 1.384 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cccs3)n[nH]2)O1 ZINC001130744806 940048291 /nfs/dbraw/zinc/04/82/91/940048291.db2.gz MBIRQDWBEIZRME-GXTWGEPZSA-N 1 1 359.455 1.168 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccccn3)n[nH]2)O1 ZINC001130749451 940055866 /nfs/dbraw/zinc/05/58/66/940055866.db2.gz IEQXHXBTYOFVNG-GOEBONIOSA-N 1 1 370.457 1.906 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccc(F)c3)n[nH]2)O1 ZINC001130752835 940060305 /nfs/dbraw/zinc/06/03/05/940060305.db2.gz CUTZJHUHHCHXBU-JKSUJKDBSA-N 1 1 371.416 1.707 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCCCOC)n[nH]2)O1 ZINC001130761906 940068235 /nfs/dbraw/zinc/06/82/35/940068235.db2.gz IKMPPVGVTTZLPW-LSDHHAIUSA-N 1 1 363.462 1.071 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CCOC3)n[nH]2)O1 ZINC001130762052 940069182 /nfs/dbraw/zinc/06/91/82/940069182.db2.gz NEVYPGWHEGJTNE-SOUVJXGZSA-N 1 1 363.462 1.233 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](CC)OC)n[nH]2)O1 ZINC001130762397 940070979 /nfs/dbraw/zinc/07/09/79/940070979.db2.gz UMSBJVHRCQYSDD-RRFJBIMHSA-N 1 1 365.478 1.622 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C)n3C)n[nH]2)O1 ZINC001130756373 940077879 /nfs/dbraw/zinc/07/78/79/940077879.db2.gz CSRHBJYCRGHNBY-GOEBONIOSA-N 1 1 370.457 1.215 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](CC)OCC)n[nH]2)O1 ZINC001130765552 940096903 /nfs/dbraw/zinc/09/69/03/940096903.db2.gz XOAQQCXHEFOYGQ-RRFJBIMHSA-N 1 1 365.478 1.622 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)CSC)n[nH]2)O1 ZINC001130772423 940112416 /nfs/dbraw/zinc/11/24/16/940112416.db2.gz MHLLJXNUXIIZGF-HZSPNIEDSA-N 1 1 365.503 1.253 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccns3)n[nH]2)O1 ZINC001130785281 940119873 /nfs/dbraw/zinc/11/98/73/940119873.db2.gz JMMPEGOJGXKYCW-NWDGAFQWSA-N 1 1 360.443 1.024 20 30 FDEDMO 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552236406 /nfs/dbraw/zinc/23/64/06/552236406.db2.gz GKDCCCVZKGTFGE-HZPDHXFCSA-N 1 1 357.454 1.833 20 30 FDEDMO COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000594002110 552236407 /nfs/dbraw/zinc/23/64/07/552236407.db2.gz GKDCCCVZKGTFGE-HZPDHXFCSA-N 1 1 357.454 1.833 20 30 FDEDMO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000594285903 552278569 /nfs/dbraw/zinc/27/85/69/552278569.db2.gz NQJLZUPYBQRNCH-CRAIPNDOSA-N 1 1 356.470 1.440 20 30 FDEDMO CN1CCN(C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c2ccccc2)CC1 ZINC000594438090 552309940 /nfs/dbraw/zinc/30/99/40/552309940.db2.gz GITOLUJUJLUTRC-OALUTQOASA-N 1 1 357.502 1.503 20 30 FDEDMO C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(C#N)cc1 ZINC000594618630 552341534 /nfs/dbraw/zinc/34/15/34/552341534.db2.gz FJXCFLXOUSDEEH-JCGIZDLHSA-N 1 1 354.454 1.869 20 30 FDEDMO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000594803026 552391046 /nfs/dbraw/zinc/39/10/46/552391046.db2.gz 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Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC(CO)(CO)C2)c1 ZINC000595798345 552616877 /nfs/dbraw/zinc/61/68/77/552616877.db2.gz CGQZJHHPODJTNC-KRWDZBQOSA-N 1 1 359.470 1.615 20 30 FDEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC(CO)(CO)C2)c1 ZINC000595798345 552616878 /nfs/dbraw/zinc/61/68/78/552616878.db2.gz CGQZJHHPODJTNC-KRWDZBQOSA-N 1 1 359.470 1.615 20 30 FDEDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000595823069 552619828 /nfs/dbraw/zinc/61/98/28/552619828.db2.gz FZOIKUACLUDPCS-ROUUACIJSA-N 1 1 369.469 1.741 20 30 FDEDMO CN(C)C(=O)N(C)[C@H]1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000595823069 552619830 /nfs/dbraw/zinc/61/98/30/552619830.db2.gz FZOIKUACLUDPCS-ROUUACIJSA-N 1 1 369.469 1.741 20 30 FDEDMO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CC[C@@](F)(C#N)C2)C1 ZINC000595848188 552622747 /nfs/dbraw/zinc/62/27/47/552622747.db2.gz FEWTWDWQRLORSP-IEBWSBKVSA-N 1 1 359.449 1.450 20 30 FDEDMO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CC[C@@](F)(C#N)C2)C1 ZINC000595848188 552622748 /nfs/dbraw/zinc/62/27/48/552622748.db2.gz FEWTWDWQRLORSP-IEBWSBKVSA-N 1 1 359.449 1.450 20 30 FDEDMO N#Cc1ccc(N2CC[C@H](N3CCC([N@H+]4CC[C@H](O)C4)CC3)C2=O)cc1 ZINC000595862834 552625217 /nfs/dbraw/zinc/62/52/17/552625217.db2.gz HNPRMCMPDJNYPJ-OALUTQOASA-N 1 1 354.454 1.195 20 30 FDEDMO C[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@]1(C)CO ZINC000595875129 552627141 /nfs/dbraw/zinc/62/71/41/552627141.db2.gz PQPNBPMFTKSZLW-AUUYWEPGSA-N 1 1 353.426 1.633 20 30 FDEDMO C[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@]1(C)CO ZINC000595875129 552627142 /nfs/dbraw/zinc/62/71/42/552627142.db2.gz PQPNBPMFTKSZLW-AUUYWEPGSA-N 1 1 353.426 1.633 20 30 FDEDMO COC1(c2noc(CC3CC[NH+](CC(=O)NCC#N)CC3)n2)CCCC1 ZINC000595917718 552633115 /nfs/dbraw/zinc/63/31/15/552633115.db2.gz SATLWIXSKDNIHX-UHFFFAOYSA-N 1 1 361.446 1.380 20 30 FDEDMO C=CC[N@H+](CC(=O)NCC(F)(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213581 552665470 /nfs/dbraw/zinc/66/54/70/552665470.db2.gz XYJGNAXDTKXOFK-GFCCVEGCSA-N 1 1 368.363 1.890 20 30 FDEDMO C=CC[N@@H+](CC(=O)NCC(F)(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213581 552665472 /nfs/dbraw/zinc/66/54/72/552665472.db2.gz XYJGNAXDTKXOFK-GFCCVEGCSA-N 1 1 368.363 1.890 20 30 FDEDMO N#CCN1CCC(NC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000596275860 552670393 /nfs/dbraw/zinc/67/03/93/552670393.db2.gz YGYQVTQALSJYIX-LJQANCHMSA-N 1 1 371.485 1.040 20 30 FDEDMO CCN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CC[N@@H+](C)C1 ZINC000596551012 552688421 /nfs/dbraw/zinc/68/84/21/552688421.db2.gz JUFIZVPNSBRMNH-ZWKOTPCHSA-N 1 1 369.469 1.789 20 30 FDEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597026622 552736635 /nfs/dbraw/zinc/73/66/35/552736635.db2.gz PPRQGLJZNTXMIF-LJQANCHMSA-N 1 1 352.482 1.980 20 30 FDEDMO Cc1cn(C)[nH]c1=NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000597138471 552751478 /nfs/dbraw/zinc/75/14/78/552751478.db2.gz ACBROBKFAWUWAX-UHFFFAOYSA-N 1 1 352.442 2.340 20 30 FDEDMO Cc1cn(C)[nH]c1=NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000597138471 552751479 /nfs/dbraw/zinc/75/14/79/552751479.db2.gz ACBROBKFAWUWAX-UHFFFAOYSA-N 1 1 352.442 2.340 20 30 FDEDMO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000597287074 552769974 /nfs/dbraw/zinc/76/99/74/552769974.db2.gz NVOWVUKUISAMCH-QGZVFWFLSA-N 1 1 352.442 1.748 20 30 FDEDMO N#CC1(NC(=O)[C@H]2CCCc3n[nH]nc32)CC[NH+](Cc2ccccc2)CC1 ZINC000597477322 552793804 /nfs/dbraw/zinc/79/38/04/552793804.db2.gz RKJMBDZWFOCDNN-INIZCTEOSA-N 1 1 364.453 1.899 20 30 FDEDMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000597524349 552799650 /nfs/dbraw/zinc/79/96/50/552799650.db2.gz QXIAJHBSEQBVSW-UHFFFAOYSA-N 1 1 350.413 1.982 20 30 FDEDMO C[C@@H](CC#N)C(=O)N(C)CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000597658852 552818831 /nfs/dbraw/zinc/81/88/31/552818831.db2.gz ZHCJBUAIVQNJBI-AWEZNQCLSA-N 1 1 356.426 1.223 20 30 FDEDMO C[NH+]1CCN(CCCCNC(=O)N2CCc3c(CC#N)cccc3C2)CC1 ZINC000598964765 552952030 /nfs/dbraw/zinc/95/20/30/552952030.db2.gz RFNZYCABQQPTMK-UHFFFAOYSA-N 1 1 369.513 1.848 20 30 FDEDMO CCN(CC)C(=O)N1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599250561 553002168 /nfs/dbraw/zinc/00/21/68/553002168.db2.gz AOASWBIXNJNGEQ-MRXNPFEDSA-N 1 1 352.479 1.137 20 30 FDEDMO CCC[N@H+](C[C@@H](O)COc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000599266095 553009055 /nfs/dbraw/zinc/00/90/55/553009055.db2.gz YEMFZBWOKLWOIC-HZPDHXFCSA-N 1 1 352.456 1.197 20 30 FDEDMO CCC[N@@H+](C[C@@H](O)COc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000599266095 553009057 /nfs/dbraw/zinc/00/90/57/553009057.db2.gz YEMFZBWOKLWOIC-HZPDHXFCSA-N 1 1 352.456 1.197 20 30 FDEDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599280232 553013981 /nfs/dbraw/zinc/01/39/81/553013981.db2.gz ZPAIHITVMHHKKD-IAGOWNOFSA-N 1 1 351.491 1.542 20 30 FDEDMO COC(=O)C[C@@H]1CSCC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000599308880 553022216 /nfs/dbraw/zinc/02/22/16/553022216.db2.gz CIOJSGPZXSIKMV-HUUCEWRRSA-N 1 1 350.440 1.278 20 30 FDEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000599395446 553044479 /nfs/dbraw/zinc/04/44/79/553044479.db2.gz CQJJFAWKBKGLOY-PXNSSMCTSA-N 1 1 359.470 1.648 20 30 FDEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000599395446 553044482 /nfs/dbraw/zinc/04/44/82/553044482.db2.gz CQJJFAWKBKGLOY-PXNSSMCTSA-N 1 1 359.470 1.648 20 30 FDEDMO CC(C)(C[C@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1)C(N)=O ZINC000599432690 553055380 /nfs/dbraw/zinc/05/53/80/553055380.db2.gz ZQAOVFWKCJGOSQ-CVEARBPZSA-N 1 1 351.491 1.671 20 30 FDEDMO N#CC1(C[C@H](O)C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)CCOCC1 ZINC000599432273 553055491 /nfs/dbraw/zinc/05/54/91/553055491.db2.gz OBLWRXQHPSZAEL-NSHGMRRFSA-N 1 1 362.445 1.858 20 30 FDEDMO CCC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2cccnc2C#N)CC1 ZINC000599497208 553073857 /nfs/dbraw/zinc/07/38/57/553073857.db2.gz CTNWMVFRUKNQRO-UHFFFAOYSA-N 1 1 364.471 1.219 20 30 FDEDMO N#Cc1cccc(CN2CCC(NC(=O)NCC3([NH3+])CCOCC3)CC2)c1 ZINC000599923323 553174750 /nfs/dbraw/zinc/17/47/50/553174750.db2.gz UYFLUCBLBNBFJB-UHFFFAOYSA-N 1 1 371.485 1.330 20 30 FDEDMO COc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(F)cc1C#N ZINC000599936707 553177904 /nfs/dbraw/zinc/17/79/04/553177904.db2.gz AEULPGYNSFRBMO-ZFWWWQNUSA-N 1 1 360.389 1.387 20 30 FDEDMO COc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(F)cc1C#N ZINC000599971508 553189478 /nfs/dbraw/zinc/18/94/78/553189478.db2.gz CHVFFFTYTMNBCL-AAEUAGOBSA-N 1 1 362.405 1.586 20 30 FDEDMO CCN(C(=O)C(=O)Nc1cc(OC)c(C#N)cc1F)[C@H]1CC[N@@H+](CC)C1 ZINC000599993341 553195869 /nfs/dbraw/zinc/19/58/69/553195869.db2.gz OGHKEXLGXKVOKB-ZDUSSCGKSA-N 1 1 362.405 1.587 20 30 FDEDMO C[N@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000600031134 553205085 /nfs/dbraw/zinc/20/50/85/553205085.db2.gz KGROSOIUMJPOBW-CQSZACIVSA-N 1 1 359.474 1.901 20 30 FDEDMO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000600191068 553229019 /nfs/dbraw/zinc/22/90/19/553229019.db2.gz IIOJGGTVDPIHJX-LJQANCHMSA-N 1 1 369.425 1.623 20 30 FDEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000600574639 553285562 /nfs/dbraw/zinc/28/55/62/553285562.db2.gz ZLKWAEDWMRVEFF-INIZCTEOSA-N 1 1 363.483 1.460 20 30 FDEDMO CN1CC[NH+](C[C@@H](O)COc2cc(C#N)ccc2Br)CC1 ZINC000601070733 553345363 /nfs/dbraw/zinc/34/53/63/553345363.db2.gz SWPDKLXJWSNKLR-CYBMUJFWSA-N 1 1 354.248 1.308 20 30 FDEDMO CCN(CC)C(=O)C[NH+]1CCC(Nc2ccc(C(=O)OC)nc2C#N)CC1 ZINC000601182772 553357310 /nfs/dbraw/zinc/35/73/10/553357310.db2.gz WSTQDNXEZBCENE-UHFFFAOYSA-N 1 1 373.457 1.485 20 30 FDEDMO N#Cc1c(-n2cccn2)cccc1N1CC[NH+](CCc2cnccn2)CC1 ZINC000601253346 553364388 /nfs/dbraw/zinc/36/43/88/553364388.db2.gz MJSLWTBCOGLHGA-UHFFFAOYSA-N 1 1 359.437 1.899 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCN(CCC#N)CC3)cc2)C[C@H](C)O1 ZINC000602205811 553539894 /nfs/dbraw/zinc/53/98/94/553539894.db2.gz FXBKRMXYDKEVHM-HDICACEKSA-N 1 1 370.497 1.967 20 30 FDEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCN(CCC#N)CC3)cc2)C[C@H](C)O1 ZINC000602205811 553539896 /nfs/dbraw/zinc/53/98/96/553539896.db2.gz FXBKRMXYDKEVHM-HDICACEKSA-N 1 1 370.497 1.967 20 30 FDEDMO CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)Cc2cccc(C#N)n2)CC1 ZINC000602665170 553620690 /nfs/dbraw/zinc/62/06/90/553620690.db2.gz RWERZVQKVSLUIZ-AWEZNQCLSA-N 1 1 350.488 1.835 20 30 FDEDMO N#Cc1cccc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)n1 ZINC000602693588 553623730 /nfs/dbraw/zinc/62/37/30/553623730.db2.gz OIYKJKWBBWZFDL-UHFFFAOYSA-N 1 1 363.465 1.940 20 30 FDEDMO C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602850157 553650731 /nfs/dbraw/zinc/65/07/31/553650731.db2.gz PEPCFPXWNQLKEG-OKZBNKHCSA-N 1 1 370.501 1.037 20 30 FDEDMO COc1ccc(CNC(=O)CC[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(OC)c1 ZINC000602848757 553650806 /nfs/dbraw/zinc/65/08/06/553650806.db2.gz IGOGLNLBZSQAHP-IYBDPMFKSA-N 1 1 374.485 1.628 20 30 FDEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](C)[C@H](C(C)(C)C)C2)CC1 ZINC000602874417 553656492 /nfs/dbraw/zinc/65/64/92/553656492.db2.gz PKWUIAZYTMHXDS-MSOLQXFVSA-N 1 1 363.550 1.341 20 30 FDEDMO CC(C)(C)OC(=O)CNC(=O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908492 553666401 /nfs/dbraw/zinc/66/64/01/553666401.db2.gz SYIVHXFQDIXTTD-UHFFFAOYSA-N 1 1 358.442 1.591 20 30 FDEDMO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H](C)N1CC#N ZINC000603100130 553708454 /nfs/dbraw/zinc/70/84/54/553708454.db2.gz NMANBNWNSSGRCS-LMMKCTJWSA-N 1 1 356.470 1.332 20 30 FDEDMO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H](C)N1CC#N ZINC000603100130 553708456 /nfs/dbraw/zinc/70/84/56/553708456.db2.gz NMANBNWNSSGRCS-LMMKCTJWSA-N 1 1 356.470 1.332 20 30 FDEDMO C[N@H+]1CCCN(CCCNS(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000603404079 553780997 /nfs/dbraw/zinc/78/09/97/553780997.db2.gz SSFKJXISFNGKPU-UHFFFAOYSA-N 1 1 370.906 1.518 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCCNC3=O)CC2)cc1 ZINC000603633898 553807903 /nfs/dbraw/zinc/80/79/03/553807903.db2.gz JMHHCCGJZMQRHU-UHFFFAOYSA-N 1 1 355.442 1.008 20 30 FDEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000607193544 554132198 /nfs/dbraw/zinc/13/21/98/554132198.db2.gz XFTZDNOVYMIFFT-RDJZCZTQSA-N 1 1 353.484 1.521 20 30 FDEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000607193544 554132200 /nfs/dbraw/zinc/13/22/00/554132200.db2.gz XFTZDNOVYMIFFT-RDJZCZTQSA-N 1 1 353.484 1.521 20 30 FDEDMO N#Cc1ccc(CSCC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000608867025 554326383 /nfs/dbraw/zinc/32/63/83/554326383.db2.gz IVIRCUHJNMHYCS-KRWDZBQOSA-N 1 1 374.510 1.495 20 30 FDEDMO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000609121781 554339344 /nfs/dbraw/zinc/33/93/44/554339344.db2.gz SYLZKCFLKIIBLJ-WBVHZDCISA-N 1 1 368.437 1.428 20 30 FDEDMO CCCNC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000609121781 554339347 /nfs/dbraw/zinc/33/93/47/554339347.db2.gz SYLZKCFLKIIBLJ-WBVHZDCISA-N 1 1 368.437 1.428 20 30 FDEDMO 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AKAUGKVKRMQNDQ-KSZLIROESA-N 1 1 361.490 1.793 20 30 FDEDMO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccccc2)C[C@@H]1n1ccnn1 ZINC001128811705 883698698 /nfs/dbraw/zinc/69/86/98/883698698.db2.gz AOTGBCZPRWSIMV-NXHRZFHOSA-N 1 1 355.442 1.583 20 30 FDEDMO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cccc(C)c2)C[C@@H]1n1ccnn1 ZINC001128811888 883699928 /nfs/dbraw/zinc/69/99/28/883699928.db2.gz HSEGCTLYMFWKDQ-UHOSZYNNSA-N 1 1 369.469 1.892 20 30 FDEDMO C=CCCC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2C)C[C@@H]1n1ccnn1 ZINC001128820754 883719299 /nfs/dbraw/zinc/71/92/99/883719299.db2.gz FLTCIHBWPJJJMB-MSOLQXFVSA-N 1 1 369.469 1.973 20 30 FDEDMO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](C/C=C\c2ccccc2)C[C@@H]1n1ccnn1 ZINC001128825294 883746671 /nfs/dbraw/zinc/74/66/71/883746671.db2.gz OVVPDUAMQVGPTA-SJVQQGFCSA-N 1 1 350.426 1.493 20 30 FDEDMO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](C/C=C\c2ccccc2)C[C@@H]1n1ccnn1 ZINC001128825294 883746674 /nfs/dbraw/zinc/74/66/74/883746674.db2.gz OVVPDUAMQVGPTA-SJVQQGFCSA-N 1 1 350.426 1.493 20 30 FDEDMO CCc1ccccc1CC[N@H+]1C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](n2ccnn2)C1 ZINC001128830791 883757109 /nfs/dbraw/zinc/75/71/09/883757109.db2.gz YEGRLWHUNROPRH-LZQZEXGQSA-N 1 1 366.469 1.584 20 30 FDEDMO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@@H]1n1ccnn1 ZINC001128830841 883757626 /nfs/dbraw/zinc/75/76/26/883757626.db2.gz ZNVSSJSDAFODPS-VHSSKADRSA-N 1 1 363.425 1.461 20 30 FDEDMO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@@H]1n1ccnn1 ZINC001128830841 883757637 /nfs/dbraw/zinc/75/76/37/883757637.db2.gz ZNVSSJSDAFODPS-VHSSKADRSA-N 1 1 363.425 1.461 20 30 FDEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](n2ccnn2)C1 ZINC001128860549 883863453 /nfs/dbraw/zinc/86/34/53/883863453.db2.gz IAEQQCVHNWZZCZ-SJORKVTESA-N 1 1 370.457 1.780 20 30 FDEDMO CC#CCN1CCCC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001034209872 883934713 /nfs/dbraw/zinc/93/47/13/883934713.db2.gz LGRATJKPDFAUEB-ZCNNSNEGSA-N 1 1 361.530 1.727 20 30 FDEDMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001034255954 884002912 /nfs/dbraw/zinc/00/29/12/884002912.db2.gz HKGVVEFICNAUPU-IPELMVKDSA-N 1 1 357.454 1.833 20 30 FDEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1 ZINC001128903335 884019846 /nfs/dbraw/zinc/01/98/46/884019846.db2.gz NDFGYISSVBMUJY-XKQJLSEDSA-N 1 1 353.430 1.488 20 30 FDEDMO CC(C)(C)CCC[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1 ZINC001128903872 884025218 /nfs/dbraw/zinc/02/52/18/884025218.db2.gz XZXKUNCMHFQJEE-SJORKVTESA-N 1 1 369.473 1.959 20 30 FDEDMO C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001034272551 884062834 /nfs/dbraw/zinc/06/28/34/884062834.db2.gz MLIKOYLNPUESJW-NSISKUIASA-N 1 1 370.497 1.748 20 30 FDEDMO C#CCCCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001128913538 884096726 /nfs/dbraw/zinc/09/67/26/884096726.db2.gz JYLNFDLTIUPQSN-KURKYZTESA-N 1 1 359.474 1.382 20 30 FDEDMO 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C#CCC[NH+]1CCN(C(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)CC1 ZINC000267700249 536988437 /nfs/dbraw/zinc/98/84/37/536988437.db2.gz ZQWRHVSBYTVDIO-UHFFFAOYSA-N 1 1 370.421 1.605 20 30 FDEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000189365418 537034212 /nfs/dbraw/zinc/03/42/12/537034212.db2.gz GZYQAITVFTUXKG-IAGOWNOFSA-N 1 1 374.485 1.329 20 30 FDEDMO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1)C1CC1 ZINC000246899128 537047635 /nfs/dbraw/zinc/04/76/35/537047635.db2.gz BYMAGDRPBBWJNM-KUHUBIRLSA-N 1 1 352.442 1.717 20 30 FDEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1)C1CC1 ZINC000246899128 537047638 /nfs/dbraw/zinc/04/76/38/537047638.db2.gz BYMAGDRPBBWJNM-KUHUBIRLSA-N 1 1 352.442 1.717 20 30 FDEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000189447242 537048080 /nfs/dbraw/zinc/04/80/80/537048080.db2.gz BRYJWLTZTBGOPL-QGZVFWFLSA-N 1 1 358.486 1.710 20 30 FDEDMO CN(CC[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000247040088 537073751 /nfs/dbraw/zinc/07/37/51/537073751.db2.gz NMWCBXCADWXLJH-LJQANCHMSA-N 1 1 360.502 1.256 20 30 FDEDMO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000247040088 537073754 /nfs/dbraw/zinc/07/37/54/537073754.db2.gz NMWCBXCADWXLJH-LJQANCHMSA-N 1 1 360.502 1.256 20 30 FDEDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000247040088 537073757 /nfs/dbraw/zinc/07/37/57/537073757.db2.gz NMWCBXCADWXLJH-LJQANCHMSA-N 1 1 360.502 1.256 20 30 FDEDMO CCOCCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000247238229 537099293 /nfs/dbraw/zinc/09/92/93/537099293.db2.gz OMNLLPNXKUEYKJ-MAUKXSAKSA-N 1 1 365.499 1.974 20 30 FDEDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCO[C@@H](C#N)C3)c2)CCO1 ZINC000247608110 537140757 /nfs/dbraw/zinc/14/07/57/537140757.db2.gz LYQYDERESZLVJO-YJBOKZPZSA-N 1 1 358.442 1.341 20 30 FDEDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCO[C@@H](C#N)C3)c2)CCO1 ZINC000247608110 537140759 /nfs/dbraw/zinc/14/07/59/537140759.db2.gz LYQYDERESZLVJO-YJBOKZPZSA-N 1 1 358.442 1.341 20 30 FDEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cccc(C(=O)OCC)c2)CC1 ZINC000264394362 537143501 /nfs/dbraw/zinc/14/35/01/537143501.db2.gz ONMFOWCAGWLUMQ-UHFFFAOYSA-N 1 1 352.456 1.792 20 30 FDEDMO C=CCNC(=O)c1ccc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1 ZINC000190141487 537146181 /nfs/dbraw/zinc/14/61/81/537146181.db2.gz NWLXIVNISHRAQL-OAHLLOKOSA-N 1 1 374.485 1.911 20 30 FDEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)[C@@H]1CO ZINC000190368683 537169550 /nfs/dbraw/zinc/16/95/50/537169550.db2.gz DYHQBPDIEATZJU-ZYSHUDEJSA-N 1 1 374.460 1.237 20 30 FDEDMO C=CCCCCC[N@H+](C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000265749743 537170949 /nfs/dbraw/zinc/17/09/49/537170949.db2.gz FBNXQGPBNNPZDE-UHFFFAOYSA-N 1 1 367.515 1.671 20 30 FDEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000248231115 537171167 /nfs/dbraw/zinc/17/11/67/537171167.db2.gz BTFNKWUYVHRLAU-BDXSIMOUSA-N 1 1 350.507 1.568 20 30 FDEDMO 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ZINC000590600226 551797111 /nfs/dbraw/zinc/79/71/11/551797111.db2.gz LOPHIAMNZMBMFL-UHFFFAOYSA-N 1 1 350.386 1.688 20 30 FDEDMO C[N@H+]1C[C@H]2CCN(C(=O)COc3cccc(Br)c3C#N)[C@H]2C1 ZINC000590765322 551814604 /nfs/dbraw/zinc/81/46/04/551814604.db2.gz IRAODICSRXGVMQ-RISCZKNCSA-N 1 1 364.243 1.862 20 30 FDEDMO N#Cc1ccc(N2CCC[C@@H]2C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000590767957 551815050 /nfs/dbraw/zinc/81/50/50/551815050.db2.gz UAINJHGCBLLLLG-IEBWSBKVSA-N 1 1 356.470 1.490 20 30 FDEDMO COC(=O)[C@@H]1CN(Cc2c(C#N)c(C)nn2-c2ccccc2)CC[N@@H+](C)C1 ZINC000591045652 551838628 /nfs/dbraw/zinc/83/86/28/551838628.db2.gz BMHJYLSVLKIPKB-INIZCTEOSA-N 1 1 367.453 1.589 20 30 FDEDMO Cc1cc(N2CCC(NC(=O)N3CC[C@@](O)(CC#N)C3)CC2)nc(C)[nH+]1 ZINC000591974639 551922651 /nfs/dbraw/zinc/92/26/51/551922651.db2.gz KJHFEGFHUORAMI-SFHVURJKSA-N 1 1 358.446 1.122 20 30 FDEDMO COc1ccccc1C1([NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000592143149 551948967 /nfs/dbraw/zinc/94/89/67/551948967.db2.gz 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C=CCn1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nn1 ZINC000592746517 552023394 /nfs/dbraw/zinc/02/33/94/552023394.db2.gz OFQFTSQHQSDHPV-UHFFFAOYSA-N 1 1 350.426 1.684 20 30 FDEDMO C=CCn1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nn1 ZINC000592746517 552023395 /nfs/dbraw/zinc/02/33/95/552023395.db2.gz OFQFTSQHQSDHPV-UHFFFAOYSA-N 1 1 350.426 1.684 20 30 FDEDMO CCCN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000592833254 552033633 /nfs/dbraw/zinc/03/36/33/552033633.db2.gz XNWJOIRGXXXQKU-KRWDZBQOSA-N 1 1 352.442 1.882 20 30 FDEDMO COC(=O)[C@@H]1C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1C1CC1 ZINC000593131664 552065928 /nfs/dbraw/zinc/06/59/28/552065928.db2.gz WMIGCDJYOLSGIF-DLBZAZTESA-N 1 1 362.451 1.463 20 30 FDEDMO COC(=O)[C@@H]1C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1C1CC1 ZINC000593131664 552065929 /nfs/dbraw/zinc/06/59/29/552065929.db2.gz WMIGCDJYOLSGIF-DLBZAZTESA-N 1 1 362.451 1.463 20 30 FDEDMO Cc1cc(=NC(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)[nH]n1CCC#N ZINC000593176252 552070066 /nfs/dbraw/zinc/07/00/66/552070066.db2.gz YNADPBSAEABJCP-SFHVURJKSA-N 1 1 366.469 2.496 20 30 FDEDMO Cc1cc(=NC(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)[nH]n1CCC#N ZINC000593176252 552070067 /nfs/dbraw/zinc/07/00/67/552070067.db2.gz YNADPBSAEABJCP-SFHVURJKSA-N 1 1 366.469 2.496 20 30 FDEDMO N#Cc1cccc2c1CN(C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C2 ZINC000593351488 552094492 /nfs/dbraw/zinc/09/44/92/552094492.db2.gz YPOSQWJADXUQHE-MRXNPFEDSA-N 1 1 355.442 1.171 20 30 FDEDMO C[S@@](=O)C1(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593401848 552103029 /nfs/dbraw/zinc/10/30/29/552103029.db2.gz GWWRRYTXHJGAGU-AREMUKBSSA-N 1 1 374.510 1.733 20 30 FDEDMO CCNC(=O)c1ccc(=NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[nH]n1 ZINC000593514990 552120512 /nfs/dbraw/zinc/12/05/12/552120512.db2.gz JLKUZQVRKMQKLO-UHFFFAOYSA-N 1 1 364.453 2.174 20 30 FDEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000593553986 552131881 /nfs/dbraw/zinc/13/18/81/552131881.db2.gz VVDMMMGWGVHGNJ-AAEUAGOBSA-N 1 1 351.428 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GBJVSHQSDRHEHJ-CQSZACIVSA-N 1 1 358.442 1.884 20 30 FDEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595399441 552549262 /nfs/dbraw/zinc/54/92/62/552549262.db2.gz WTNSGHDENDNNKM-CQSZACIVSA-N 1 1 360.506 2.013 20 30 FDEDMO CN(C(=O)C[N@@H+]1CCC[C@H](N2CCOCC2)CC1)C1(C#N)CCCCC1 ZINC000595468947 552567455 /nfs/dbraw/zinc/56/74/55/552567455.db2.gz FBZBCYRXAMWOSA-SFHVURJKSA-N 1 1 362.518 1.858 20 30 FDEDMO CN(C(=O)C[N@H+]1CCC[C@H](N2CCOCC2)CC1)C1(C#N)CCCCC1 ZINC000595468947 552567456 /nfs/dbraw/zinc/56/74/56/552567456.db2.gz FBZBCYRXAMWOSA-SFHVURJKSA-N 1 1 362.518 1.858 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000595519237 552577634 /nfs/dbraw/zinc/57/76/34/552577634.db2.gz WAKVMGXKWOMFGO-AWEZNQCLSA-N 1 1 360.462 1.739 20 30 FDEDMO N#Cc1sccc1N1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000595549329 552582753 /nfs/dbraw/zinc/58/27/53/552582753.db2.gz COOGOLRYGNYLPP-UHFFFAOYSA-N 1 1 365.528 1.500 20 30 FDEDMO 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354.454 1.696 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCCC(=O)N2)CC[N@H+]1Cc1ccccc1C#N ZINC001088850777 864630913 /nfs/dbraw/zinc/63/09/13/864630913.db2.gz IJFZTCDPYVIMBF-FHLIZLRMSA-N 1 1 354.454 1.696 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088861331 864831005 /nfs/dbraw/zinc/83/10/05/864831005.db2.gz AQOGFUHVWCUBMP-CAPXZKIUSA-N 1 1 360.483 1.423 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088861331 864831022 /nfs/dbraw/zinc/83/10/22/864831022.db2.gz AQOGFUHVWCUBMP-CAPXZKIUSA-N 1 1 360.483 1.423 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3ccc(CC)cn3)[C@H]2C)C1=O ZINC001088870911 865062945 /nfs/dbraw/zinc/06/29/45/865062945.db2.gz NDIOQFWLDUHDBB-AYOQOUSVSA-N 1 1 370.497 1.552 20 30 FDEDMO CCOC1CC[NH+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000171024676 865078456 /nfs/dbraw/zinc/07/84/56/865078456.db2.gz XNTYUBIISHRVCS-UHFFFAOYSA-N 1 1 356.426 1.781 20 30 FDEDMO 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C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C3CC3)CC2)n1 ZINC001130215994 938752362 /nfs/dbraw/zinc/75/23/62/938752362.db2.gz LSQLMXSJNMRWNE-GJZGRUSLSA-N 1 1 359.474 1.649 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(C3CC3)CC2)n[nH]1 ZINC001130215994 938752363 /nfs/dbraw/zinc/75/23/63/938752363.db2.gz LSQLMXSJNMRWNE-GJZGRUSLSA-N 1 1 359.474 1.649 20 30 FDEDMO C#CCCCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCC)n[nH]1 ZINC001130224765 938758567 /nfs/dbraw/zinc/75/85/67/938758567.db2.gz ASRWQHONCGRXQO-HOTGVXAUSA-N 1 1 361.490 1.877 20 30 FDEDMO C#CCCCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCC)n1 ZINC001130224765 938758569 /nfs/dbraw/zinc/75/85/69/938758569.db2.gz ASRWQHONCGRXQO-HOTGVXAUSA-N 1 1 361.490 1.877 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCCF)n1 ZINC001130224824 938759001 /nfs/dbraw/zinc/75/90/01/938759001.db2.gz DEMOOSLIMUANME-KBPBESRZSA-N 1 1 353.442 1.599 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCCF)n[nH]1 ZINC001130224824 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SLRWUIQRHOXTKT-KKUMJFAQSA-N 1 1 365.478 1.132 20 30 FDEDMO C=C(C)C[C@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCOC)n1 ZINC001130232903 938765252 /nfs/dbraw/zinc/76/52/52/938765252.db2.gz SLRWUIQRHOXTKT-KKUMJFAQSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CCCC1(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CC=C)n[nH]2)CC1 ZINC001130235176 938766479 /nfs/dbraw/zinc/76/64/79/938766479.db2.gz WUNDWFVFWJYPPF-GJZGRUSLSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CCCC1(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CC=C)n2)CC1 ZINC001130235176 938766482 /nfs/dbraw/zinc/76/64/82/938766482.db2.gz WUNDWFVFWJYPPF-GJZGRUSLSA-N 1 1 359.474 1.815 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)CCC)[nH]1 ZINC001130240266 938767160 /nfs/dbraw/zinc/76/71/60/938767160.db2.gz LFEMBCCMOONUPZ-GJZGRUSLSA-N 1 1 361.490 1.733 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ccccc2C)n1 ZINC001130248942 938773282 /nfs/dbraw/zinc/77/32/82/938773282.db2.gz BGCGGOOEBSOQOL-IRXDYDNUSA-N 1 1 369.469 1.620 20 30 FDEDMO 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C[N@@H+](CCC(=O)Nc1sccc1C(N)=O)C[C@H](O)c1cccc(C#N)c1 ZINC000844366998 948016687 /nfs/dbraw/zinc/01/66/87/948016687.db2.gz QCTKSEIUJWFSDT-HNNXBMFYSA-N 1 1 372.450 1.713 20 30 FDEDMO C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)C[C@H](O)c1cccc(C#N)c1 ZINC000844367621 948017576 /nfs/dbraw/zinc/01/75/76/948017576.db2.gz UFXVSEUKKZKIBD-SFHVURJKSA-N 1 1 366.421 1.651 20 30 FDEDMO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368462 948018502 /nfs/dbraw/zinc/01/85/02/948018502.db2.gz VLYDLMXYCMHBAR-FHLIZLRMSA-N 1 1 372.469 1.928 20 30 FDEDMO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368462 948018507 /nfs/dbraw/zinc/01/85/07/948018507.db2.gz VLYDLMXYCMHBAR-FHLIZLRMSA-N 1 1 372.469 1.928 20 30 FDEDMO COCC[N@H+]1CCN(Cc2nc3ccccc3c(=O)n2CC#N)C(C)(C)C1 ZINC000844432748 948083546 /nfs/dbraw/zinc/08/35/46/948083546.db2.gz XQBFMULQHXZOAI-UHFFFAOYSA-N 1 1 369.469 1.463 20 30 FDEDMO C=C(Br)CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000805939812 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ZINC001212395228 910727304 /nfs/dbraw/zinc/72/73/04/910727304.db2.gz BIOSCGUVLNORQY-ZIAGYGMSSA-N 1 1 362.392 1.574 20 30 FDEDMO C#CCC1(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]2OC)CCOCC1 ZINC001212395422 910733916 /nfs/dbraw/zinc/73/39/16/910733916.db2.gz GEDLFFLGVOJGGG-KZNAEPCWSA-N 1 1 364.486 1.049 20 30 FDEDMO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]2OC)CCOCC1 ZINC001212395679 910742256 /nfs/dbraw/zinc/74/22/56/910742256.db2.gz KDLZISIMYOAWAE-IAGOWNOFSA-N 1 1 362.495 1.884 20 30 FDEDMO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]2OC)CCOCC1 ZINC001212395679 910742269 /nfs/dbraw/zinc/74/22/69/910742269.db2.gz KDLZISIMYOAWAE-IAGOWNOFSA-N 1 1 362.495 1.884 20 30 FDEDMO C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NCc3cnc(C)cn3)C2)CC1 ZINC001082941051 911015725 /nfs/dbraw/zinc/01/57/25/911015725.db2.gz LYDDVFFTQSOKAT-DNVCBOLYSA-N 1 1 355.486 1.067 20 30 FDEDMO C=CCOCCN1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403578 911185587 /nfs/dbraw/zinc/18/55/87/911185587.db2.gz NKIMXCWSEJXYNL-RCCFBDPRSA-N 1 1 353.507 1.267 20 30 FDEDMO C=CCOCCN1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403578 911185595 /nfs/dbraw/zinc/18/55/95/911185595.db2.gz NKIMXCWSEJXYNL-RCCFBDPRSA-N 1 1 353.507 1.267 20 30 FDEDMO N#CCOc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)C4CCC4)[C@H]3C2)cc1 ZINC001082973250 911233015 /nfs/dbraw/zinc/23/30/15/911233015.db2.gz PJWMYJICBXTLCB-RBUKOAKNSA-N 1 1 355.438 1.801 20 30 FDEDMO N#CCOc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C4CCC4)[C@H]3C2)cc1 ZINC001082973250 911233028 /nfs/dbraw/zinc/23/30/28/911233028.db2.gz PJWMYJICBXTLCB-RBUKOAKNSA-N 1 1 355.438 1.801 20 30 FDEDMO N#CCOc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)CC4CC4)[C@H]3C2)cc1 ZINC001082975167 911257694 /nfs/dbraw/zinc/25/76/94/911257694.db2.gz CVVVWIOEMUDNLP-RBUKOAKNSA-N 1 1 355.438 1.801 20 30 FDEDMO N#CCOc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)CC4CC4)[C@H]3C2)cc1 ZINC001082975167 911257704 /nfs/dbraw/zinc/25/77/04/911257704.db2.gz CVVVWIOEMUDNLP-RBUKOAKNSA-N 1 1 355.438 1.801 20 30 FDEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)C1 ZINC000998625167 911328812 /nfs/dbraw/zinc/32/88/12/911328812.db2.gz LVUPWAHKNUPPJL-UTXMOHQDSA-N 1 1 355.442 1.090 20 30 FDEDMO Cc1cc(C)cc(OCC[N@H+]2C[C@H]3OCCN(C(=O)[C@@H](C)C#N)[C@H]3C2)c1 ZINC001083024670 911596726 /nfs/dbraw/zinc/59/67/26/911596726.db2.gz VTIUSEDDNICIFK-YTQUADARSA-N 1 1 357.454 1.754 20 30 FDEDMO Cc1cc(C)cc(OCC[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H](C)C#N)[C@H]3C2)c1 ZINC001083024670 911596735 /nfs/dbraw/zinc/59/67/35/911596735.db2.gz VTIUSEDDNICIFK-YTQUADARSA-N 1 1 357.454 1.754 20 30 FDEDMO Cc1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)c4cc(C#N)c[nH]4)[C@H]3C2)cs1 ZINC001083040544 911760950 /nfs/dbraw/zinc/76/09/50/911760950.db2.gz RYYXAYXKTVGKRK-DLBZAZTESA-N 1 1 356.451 1.982 20 30 FDEDMO Cc1cc(C[N@H+]2C[C@H]3OCCN(C(=O)c4cc(C#N)c[nH]4)[C@H]3C2)cs1 ZINC001083040544 911760955 /nfs/dbraw/zinc/76/09/55/911760955.db2.gz RYYXAYXKTVGKRK-DLBZAZTESA-N 1 1 356.451 1.982 20 30 FDEDMO O=C(C#CC1CC1)N1CCO[C@@H]2C[N@@H+](CC[C@@H]3CC3(Cl)Cl)C[C@@H]21 ZINC001083077346 911882277 /nfs/dbraw/zinc/88/22/77/911882277.db2.gz CTOIGPSSOAOBKB-QLFBSQMISA-N 1 1 357.281 1.895 20 30 FDEDMO O=C(C#CC1CC1)N1CCO[C@@H]2C[N@H+](CC[C@@H]3CC3(Cl)Cl)C[C@@H]21 ZINC001083077346 911882289 /nfs/dbraw/zinc/88/22/89/911882289.db2.gz CTOIGPSSOAOBKB-QLFBSQMISA-N 1 1 357.281 1.895 20 30 FDEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4cc(C)nc4C3)[C@H]2C1 ZINC001083120498 911931236 /nfs/dbraw/zinc/93/12/36/911931236.db2.gz PPZOBTHRJJZYDK-FGTMMUONSA-N 1 1 358.486 1.632 20 30 FDEDMO COCc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C#CC4CC4)[C@H]3C2)cc1 ZINC001083078353 911938670 /nfs/dbraw/zinc/93/86/70/911938670.db2.gz YYTCJYSHFXPCIS-VQTJNVASSA-N 1 1 354.450 1.658 20 30 FDEDMO COCc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)C#CC4CC4)[C@H]3C2)cc1 ZINC001083078353 911938674 /nfs/dbraw/zinc/93/86/74/911938674.db2.gz YYTCJYSHFXPCIS-VQTJNVASSA-N 1 1 354.450 1.658 20 30 FDEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)COc3ccc(F)cc3F)[C@H]2C1 ZINC001083099065 912004686 /nfs/dbraw/zinc/00/46/86/912004686.db2.gz SFLZXMMKLQPCFK-DOTOQJQBSA-N 1 1 352.381 1.831 20 30 FDEDMO C=CCn1cccc1C(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]21 ZINC001083106200 912046941 /nfs/dbraw/zinc/04/69/41/912046941.db2.gz PVODDMDISYUMHV-YTQUADARSA-N 1 1 359.470 1.768 20 30 FDEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)N(C)C(=O)C4)[C@H]2C1 ZINC001083132850 912140577 /nfs/dbraw/zinc/14/05/77/912140577.db2.gz QMXWJPZBBBSYRZ-ZWKOTPCHSA-N 1 1 355.438 1.307 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2CCC)C1 ZINC000999181775 912187226 /nfs/dbraw/zinc/18/72/26/912187226.db2.gz MPMOKZLQUBQOTH-OAGGEKHMSA-N 1 1 362.478 1.145 20 30 FDEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](CCSC)NC(=O)c2ccccc2)C1 ZINC000923594040 912205590 /nfs/dbraw/zinc/20/55/90/912205590.db2.gz FSZJIMDZTGTHFC-MSOLQXFVSA-N 1 1 373.522 1.752 20 30 FDEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CCSC)NC(=O)c2ccccc2)C1 ZINC000923594040 912205603 /nfs/dbraw/zinc/20/56/03/912205603.db2.gz FSZJIMDZTGTHFC-MSOLQXFVSA-N 1 1 373.522 1.752 20 30 FDEDMO N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC(=O)NC4)[C@@H]3C2)ccc1F ZINC001084475634 914989692 /nfs/dbraw/zinc/98/96/92/914989692.db2.gz VYMXSGHJGPSPDQ-HDMKZQKVSA-N 1 1 370.428 1.256 20 30 FDEDMO N#Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC(=O)NC4)[C@@H]3C2)ccc1F ZINC001084475634 914989696 /nfs/dbraw/zinc/98/96/96/914989696.db2.gz VYMXSGHJGPSPDQ-HDMKZQKVSA-N 1 1 370.428 1.256 20 30 FDEDMO C=CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001065206887 915091766 /nfs/dbraw/zinc/09/17/66/915091766.db2.gz NNFBHVAUKNBHDS-OWCLPIDISA-N 1 1 351.491 1.273 20 30 FDEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cncc(CC)c4)[C@@H]3C2)C1=O ZINC001084521589 915160491 /nfs/dbraw/zinc/16/04/91/915160491.db2.gz MNUCRIPWRBZOCY-BHIYHBOVSA-N 1 1 368.481 1.577 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)c4cncc(CC)c4)[C@@H]3C2)C1=O ZINC001084521589 915160497 /nfs/dbraw/zinc/16/04/97/915160497.db2.gz MNUCRIPWRBZOCY-BHIYHBOVSA-N 1 1 368.481 1.577 20 30 FDEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cncc(-n4ccnn4)c3)[C@@H]2C1 ZINC001084546677 915305351 /nfs/dbraw/zinc/30/53/51/915305351.db2.gz AXXXEUPYQLWQQI-CRAIPNDOSA-N 1 1 352.442 1.775 20 30 FDEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)[C@@H]2C1 ZINC001084557604 915361067 /nfs/dbraw/zinc/36/10/67/915361067.db2.gz GBLMTDVLYPEINP-GDBMZVCRSA-N 1 1 360.458 1.628 20 30 FDEDMO Cc1noc(CCC(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)n1 ZINC001084562406 915458078 /nfs/dbraw/zinc/45/80/78/915458078.db2.gz QSPRIQNPVRMZQS-QZTJIDSGSA-N 1 1 365.437 1.915 20 30 FDEDMO CN1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1=O ZINC001084589863 915513047 /nfs/dbraw/zinc/51/30/47/915513047.db2.gz RZODRGNCESKCOK-FGTMMUONSA-N 1 1 352.438 1.069 20 30 FDEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4cccnc4OC)[C@@H]3C2)C1=O ZINC001084628691 915744755 /nfs/dbraw/zinc/74/47/55/915744755.db2.gz QWMPKZURJHRTCT-HYVNUMGLSA-N 1 1 370.453 1.023 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)c4cccnc4OC)[C@@H]3C2)C1=O ZINC001084628691 915744770 /nfs/dbraw/zinc/74/47/70/915744770.db2.gz QWMPKZURJHRTCT-HYVNUMGLSA-N 1 1 370.453 1.023 20 30 FDEDMO O=C([C@@H]1CCCCC(=O)N1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084654305 915894176 /nfs/dbraw/zinc/89/41/76/915894176.db2.gz MHMFMEOEASCOHW-HSALFYBXSA-N 1 1 365.477 1.630 20 30 FDEDMO O=C([C@@H]1CCCCC(=O)N1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084654305 915894192 /nfs/dbraw/zinc/89/41/92/915894192.db2.gz MHMFMEOEASCOHW-HSALFYBXSA-N 1 1 365.477 1.630 20 30 FDEDMO C[C@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)CCNC1=O ZINC001084658568 915899450 /nfs/dbraw/zinc/89/94/50/915899450.db2.gz OWDIGTYEUKDZFN-ZTQAJYAQSA-N 1 1 370.428 1.256 20 30 FDEDMO C[C@]1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)CCNC1=O ZINC001084658568 915899463 /nfs/dbraw/zinc/89/94/63/915899463.db2.gz OWDIGTYEUKDZFN-ZTQAJYAQSA-N 1 1 370.428 1.256 20 30 FDEDMO C[C@@]1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)CCNC1=O ZINC001084658671 915915177 /nfs/dbraw/zinc/91/51/77/915915177.db2.gz SAHAXQNQTLEILY-MBOZVWFJSA-N 1 1 352.438 1.117 20 30 FDEDMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084661977 915955453 /nfs/dbraw/zinc/95/54/53/915955453.db2.gz QBFFTCBFQQPNKG-NSISKUIASA-N 1 1 352.482 1.933 20 30 FDEDMO C#CCOc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CCn4cncn4)C[C@H]32)cc1 ZINC001084708870 916393409 /nfs/dbraw/zinc/39/34/09/916393409.db2.gz XLVKZVXLMPCFIO-IEBWSBKVSA-N 1 1 365.437 1.137 20 30 FDEDMO C=CCn1cc(C(=O)N2C[C@H]3CC[N@@H+](CCC[C@@H]4CCOC4)C[C@H]32)nn1 ZINC001084708774 916393924 /nfs/dbraw/zinc/39/39/24/916393924.db2.gz SUAQXHSDPLYFKK-JFIYKMOQSA-N 1 1 359.474 1.427 20 30 FDEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccnc3)[C@@H]2C1 ZINC001084713970 916433851 /nfs/dbraw/zinc/43/38/51/916433851.db2.gz HOJGGTJMYNKKSA-AJYBTWMASA-N 1 1 366.465 1.157 20 30 FDEDMO 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359.474 1.487 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)=C2CCC2)n1 ZINC001130212860 938749977 /nfs/dbraw/zinc/74/99/77/938749977.db2.gz HUKNIUCXTWOOJM-HOTGVXAUSA-N 1 1 359.474 1.960 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)=C2CCC2)n[nH]1 ZINC001130212860 938749979 /nfs/dbraw/zinc/74/99/79/938749979.db2.gz HUKNIUCXTWOOJM-HOTGVXAUSA-N 1 1 359.474 1.960 20 30 FDEDMO C=CCC(CC=C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130212881 938750024 /nfs/dbraw/zinc/75/00/24/938750024.db2.gz IYGOUOYUZZKUTH-GJZGRUSLSA-N 1 1 365.453 1.621 20 30 FDEDMO C=CCC(CC=C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130212881 938750025 /nfs/dbraw/zinc/75/00/25/938750025.db2.gz IYGOUOYUZZKUTH-GJZGRUSLSA-N 1 1 365.453 1.621 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CC(C)C)CC2)[nH]1 ZINC001130216109 938752408 /nfs/dbraw/zinc/75/24/08/938752408.db2.gz MRXGJVCIYBBJLV-GJZGRUSLSA-N 1 1 359.474 1.343 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=CC(C)(C)C)[nH]1 ZINC001130202833 938755411 /nfs/dbraw/zinc/75/54/11/938755411.db2.gz LGWMTXMFXCOVHE-SKJVMOOOSA-N 1 1 359.474 1.509 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC23CCC3)[nH]1 ZINC001130239926 938756183 /nfs/dbraw/zinc/75/61/83/938756183.db2.gz DAXCEGRJRYLZFD-ZNMIVQPWSA-N 1 1 357.458 1.097 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(C)=C(C)C)[nH]1 ZINC001130229968 938763591 /nfs/dbraw/zinc/76/35/91/938763591.db2.gz KROMZFKTOTVMCU-HOTGVXAUSA-N 1 1 359.474 1.653 20 30 FDEDMO C=C(C)C[C@@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130232412 938764986 /nfs/dbraw/zinc/76/49/86/938764986.db2.gz GOYFUULKDKJVJB-ILXRZTDVSA-N 1 1 367.469 1.845 20 30 FDEDMO C=C(C)C[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1 ZINC001130232412 938764988 /nfs/dbraw/zinc/76/49/88/938764988.db2.gz GOYFUULKDKJVJB-ILXRZTDVSA-N 1 1 367.469 1.845 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C)CC(=C)C2)n1 ZINC001130235073 938766627 /nfs/dbraw/zinc/76/66/27/938766627.db2.gz SWEDPJISLWHWAK-GJZGRUSLSA-N 1 1 357.458 1.263 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(C)CC(=C)C2)n[nH]1 ZINC001130235073 938766628 /nfs/dbraw/zinc/76/66/28/938766628.db2.gz SWEDPJISLWHWAK-GJZGRUSLSA-N 1 1 357.458 1.263 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2CC(C)C)[nH]1 ZINC001130238003 938767496 /nfs/dbraw/zinc/76/74/96/938767496.db2.gz NYZJTWHWSLIUDO-TWMKSMIVSA-N 1 1 373.501 1.589 20 30 FDEDMO C=CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+][C@H](C)COC)n[nH]1 ZINC001130238177 938767681 /nfs/dbraw/zinc/76/76/81/938767681.db2.gz XIMBQYCHKBTMCY-ILXRZTDVSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+][C@H](C)COC)n1 ZINC001130238177 938767682 /nfs/dbraw/zinc/76/76/82/938767682.db2.gz XIMBQYCHKBTMCY-ILXRZTDVSA-N 1 1 365.478 1.274 20 30 FDEDMO C#CCCCNC(=O)C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000805530543 938767745 /nfs/dbraw/zinc/76/77/45/938767745.db2.gz OMEGFZMIGHHCLN-UHFFFAOYSA-N 1 1 360.458 1.149 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2C2CCC2)n1 ZINC001130242182 938769592 /nfs/dbraw/zinc/76/95/92/938769592.db2.gz KTDGWSGRXJNNMZ-NXOAAHMSSA-N 1 1 373.501 1.895 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]2C2CCC2)n[nH]1 ZINC001130242182 938769593 /nfs/dbraw/zinc/76/95/93/938769593.db2.gz KTDGWSGRXJNNMZ-NXOAAHMSSA-N 1 1 373.501 1.895 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2C2CCC2)[nH]1 ZINC001130242351 938769697 /nfs/dbraw/zinc/76/96/97/938769697.db2.gz SUFOXGJMATZMQG-NXOAAHMSSA-N 1 1 371.485 1.343 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)cc2)[nH]1 ZINC001130246360 938771802 /nfs/dbraw/zinc/77/18/02/938771802.db2.gz HJUXLFUWSGDURR-HOTGVXAUSA-N 1 1 353.426 1.138 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C)cc2)n[nH]1 ZINC001130246360 938771803 /nfs/dbraw/zinc/77/18/03/938771803.db2.gz HJUXLFUWSGDURR-HOTGVXAUSA-N 1 1 353.426 1.138 20 30 FDEDMO C=CCO[C@@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n[nH]1 ZINC001130251274 938774516 /nfs/dbraw/zinc/77/45/16/938774516.db2.gz KWUNKNNYYYNYCR-KKUMJFAQSA-N 1 1 365.478 1.130 20 30 FDEDMO C=CCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n1 ZINC001130251274 938774517 /nfs/dbraw/zinc/77/45/17/938774517.db2.gz KWUNKNNYYYNYCR-KKUMJFAQSA-N 1 1 365.478 1.130 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(CC)CC)n1 ZINC001130251294 938774689 /nfs/dbraw/zinc/77/46/89/938774689.db2.gz LSHRNXNYKPINDL-GJZGRUSLSA-N 1 1 361.490 1.733 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)(CC)CC)n[nH]1 ZINC001130251294 938774691 /nfs/dbraw/zinc/77/46/91/938774691.db2.gz LSHRNXNYKPINDL-GJZGRUSLSA-N 1 1 361.490 1.733 20 30 FDEDMO C=C(Cl)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)COC)CC1 ZINC001130278852 938789108 /nfs/dbraw/zinc/78/91/08/938789108.db2.gz HHMFEOXFHASMCL-MJEQTWJJSA-N 1 1 371.909 1.497 20 30 FDEDMO CNC(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000805825953 938833689 /nfs/dbraw/zinc/83/36/89/938833689.db2.gz LCJRSKKBXSOSBW-SJORKVTESA-N 1 1 361.442 1.703 20 30 FDEDMO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3c[nH]nc32)C[C@H]1c1cn(C)cn1 ZINC001130590592 939897624 /nfs/dbraw/zinc/89/76/24/939897624.db2.gz YHTMTWYPLYSMQM-SOLBZPMBSA-N 1 1 366.469 1.171 20 30 FDEDMO Cc1cc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2c2cn(C)cn2)no1 ZINC001130593052 939900018 /nfs/dbraw/zinc/90/00/18/939900018.db2.gz NBNZXLJYJWSQAV-FUHWJXTLSA-N 1 1 369.469 1.850 20 30 FDEDMO C#CCC[NH+]1CCN(C(=O)[C@](N)(c2cccc(F)c2)C(F)(F)F)CC1 ZINC000806594246 939975726 /nfs/dbraw/zinc/97/57/26/939975726.db2.gz NUOCUAJYEQHNMR-MRXNPFEDSA-N 1 1 357.351 1.710 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@H]1c1cn(C)cn1 ZINC001130712635 939999126 /nfs/dbraw/zinc/99/91/26/939999126.db2.gz DZSNFQWSNYHWAK-GOEBONIOSA-N 1 1 356.474 1.581 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(C)(C)F)n[nH]2)O1 ZINC001130749326 940054994 /nfs/dbraw/zinc/05/49/94/940054994.db2.gz FKCXHUXKULEVDT-QWHCGFSZSA-N 1 1 353.442 1.945 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3C=CCC3)n[nH]2)O1 ZINC001130756515 940079044 /nfs/dbraw/zinc/07/90/44/940079044.db2.gz LITHFGRUMGKFBN-OWCLPIDISA-N 1 1 357.458 1.610 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)oc3C)n[nH]2)O1 ZINC001130756771 940080514 /nfs/dbraw/zinc/08/05/14/940080514.db2.gz ZTMDKQXGWVHALF-DZGCQCFKSA-N 1 1 359.430 1.940 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(CC)n[nH]3)n[nH]2)O1 ZINC001130757607 940081729 /nfs/dbraw/zinc/08/17/29/940081729.db2.gz BOCABNUZYJAXGA-GXTWGEPZSA-N 1 1 359.434 1.016 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3CCCO3)n[nH]2)O1 ZINC001130765042 940095055 /nfs/dbraw/zinc/09/50/55/940095055.db2.gz FDLGUGJUDYMUPJ-SOUVJXGZSA-N 1 1 363.462 1.376 20 30 FDEDMO 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C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](OC)C(C)C)n[nH]2)O1 ZINC001130805388 940177434 /nfs/dbraw/zinc/17/74/34/940177434.db2.gz ZESYCAYQENAVBG-GZBFAFLISA-N 1 1 351.451 1.088 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@]34C[C@@H]3CCCC4)n[nH]2)O1 ZINC001130807281 940182484 /nfs/dbraw/zinc/18/24/84/940182484.db2.gz WBBXADOAVSBNQO-MFCZKXCZSA-N 1 1 371.485 1.834 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ocnc3CC)n[nH]2)O1 ZINC001130809063 940185729 /nfs/dbraw/zinc/18/57/29/940185729.db2.gz FTSVIZYKHFQRHU-WCQYABFASA-N 1 1 360.418 1.281 20 30 FDEDMO C=C(C)C(C)(C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C[C@@H](C)O)O2)n1 ZINC001130799336 940191022 /nfs/dbraw/zinc/19/10/22/940191022.db2.gz CCDNYTNNQWDECV-HZSPNIEDSA-N 1 1 365.478 1.214 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CC4(CCC4)C3)n[nH]2)O1 ZINC001130802215 940196754 /nfs/dbraw/zinc/19/67/54/940196754.db2.gz INFCWGILOKARRI-LSDHHAIUSA-N 1 1 357.458 1.444 20 30 FDEDMO 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C[C@H](C#N)C(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573578004 947178125 /nfs/dbraw/zinc/17/81/25/947178125.db2.gz XDTCKROFTXVHQC-AUUYWEPGSA-N 1 1 367.457 1.745 20 30 FDEDMO C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573581925 947185219 /nfs/dbraw/zinc/18/52/19/947185219.db2.gz ANCDHFDDFKZUJF-NWDGAFQWSA-N 1 1 359.459 1.416 20 30 FDEDMO C[C@H](C#N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573582711 947194448 /nfs/dbraw/zinc/19/44/48/947194448.db2.gz GIFHMZZRXSQBRN-UKRRQHHQSA-N 1 1 353.430 1.355 20 30 FDEDMO C[C@H](C#N)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001573584305 947219529 /nfs/dbraw/zinc/21/95/29/947219529.db2.gz SWGSSLLSYLQPRX-UKRRQHHQSA-N 1 1 353.430 1.497 20 30 FDEDMO C[C@H](C#N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573584510 947224416 /nfs/dbraw/zinc/22/44/16/947224416.db2.gz XBRXIUCJENXLOF-TZMCWYRMSA-N 1 1 371.420 1.494 20 30 FDEDMO C[C@H](C#N)C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573584568 947226665 /nfs/dbraw/zinc/22/66/65/947226665.db2.gz YGYHABSWHQPXMG-DGCLKSJQSA-N 1 1 357.393 1.104 20 30 FDEDMO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573584680 947230698 /nfs/dbraw/zinc/23/06/98/947230698.db2.gz BDCBLDOZGSBZRM-YWSWHFDRSA-N 1 1 369.404 1.387 20 30 FDEDMO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573584680 947230709 /nfs/dbraw/zinc/23/07/09/947230709.db2.gz BDCBLDOZGSBZRM-YWSWHFDRSA-N 1 1 369.404 1.387 20 30 FDEDMO C=CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2OC)C1 ZINC001573328646 947411955 /nfs/dbraw/zinc/41/19/55/947411955.db2.gz ZIYXPTJKFCJHRR-INIZCTEOSA-N 1 1 370.457 1.922 20 30 FDEDMO C=CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2OC)C1 ZINC001573328646 947411959 /nfs/dbraw/zinc/41/19/59/947411959.db2.gz ZIYXPTJKFCJHRR-INIZCTEOSA-N 1 1 370.457 1.922 20 30 FDEDMO N#CC1(NC(=O)[C@H]2[C@H](O)CC[N@@H+]2Cc2ccccc2)Cc2ccccc2C1 ZINC001143681626 947471115 /nfs/dbraw/zinc/47/11/15/947471115.db2.gz QSGICUMBBOLJBD-WOJBJXKFSA-N 1 1 361.445 1.799 20 30 FDEDMO N#CC1(NC(=O)[C@H]2[C@H](O)CC[N@H+]2Cc2ccccc2)Cc2ccccc2C1 ZINC001143681626 947471119 /nfs/dbraw/zinc/47/11/19/947471119.db2.gz QSGICUMBBOLJBD-WOJBJXKFSA-N 1 1 361.445 1.799 20 30 FDEDMO C=CC[N@@H+](CC1CC1)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001573341120 947527591 /nfs/dbraw/zinc/52/75/91/947527591.db2.gz HWUHROXDMWQOOU-UHFFFAOYSA-N 1 1 355.446 1.697 20 30 FDEDMO C=CCOCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573344192 947568575 /nfs/dbraw/zinc/56/85/75/947568575.db2.gz YVEYRWLBKIFZCT-INIZCTEOSA-N 1 1 362.459 1.211 20 30 FDEDMO CN(C(=O)C[NH+]1CCC([C@H](O)c2ccnn2C)CC1)C1(C#N)CCCCC1 ZINC000856805621 971406195 /nfs/dbraw/zinc/40/61/95/971406195.db2.gz ZXWQXZBXVGPQIK-IBGZPJMESA-N 1 1 373.501 1.850 20 30 FDEDMO N#Cc1ccc([C@@H](O)C[NH+]2CCN(c3ccc(F)cc3C(N)=O)CC2)cc1 ZINC000856811252 971408294 /nfs/dbraw/zinc/40/82/94/971408294.db2.gz MJPYUVSAFHIXBR-IBGZPJMESA-N 1 1 368.412 1.652 20 30 FDEDMO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@H+](CC(=O)NC1(C#N)CCC1)C2 ZINC000856814262 971410862 /nfs/dbraw/zinc/41/08/62/971410862.db2.gz BBEKWLWUOBKBOP-AUUYWEPGSA-N 1 1 362.474 1.928 20 30 FDEDMO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+](CC(=O)NC1(C#N)CCC1)C2 ZINC000856814262 971410866 /nfs/dbraw/zinc/41/08/66/971410866.db2.gz BBEKWLWUOBKBOP-AUUYWEPGSA-N 1 1 362.474 1.928 20 30 FDEDMO CC#CCCCC(=O)N(CC)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573359250 947680634 /nfs/dbraw/zinc/68/06/34/947680634.db2.gz RUIPVFPUTIYKGY-HNNXBMFYSA-N 1 1 367.457 1.883 20 30 FDEDMO C[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)C[C@H](O)c1cccc(C#N)c1 ZINC000844369872 947997227 /nfs/dbraw/zinc/99/72/27/947997227.db2.gz NTHCRQPHICRDDF-CEXWTWQISA-N 1 1 357.454 1.693 20 30 FDEDMO C[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)C[C@H](O)c1cccc(C#N)c1 ZINC000844369872 947997233 /nfs/dbraw/zinc/99/72/33/947997233.db2.gz NTHCRQPHICRDDF-CEXWTWQISA-N 1 1 357.454 1.693 20 30 FDEDMO C[N@@H+](CCN1C(=O)NC2(CCCC2)C1=O)C[C@H](O)c1cccc(C#N)c1 ZINC000844371248 947998205 /nfs/dbraw/zinc/99/82/05/947998205.db2.gz XDZVGOKNYQHMLW-INIZCTEOSA-N 1 1 356.426 1.388 20 30 FDEDMO COc1ccc(NC(=O)CCS)cc1OCCC[NH+]1CCN(C)CC1 ZINC001143985776 948072086 /nfs/dbraw/zinc/07/20/86/948072086.db2.gz UUADDOTTWZLWJO-UHFFFAOYSA-N 1 1 367.515 1.970 20 30 FDEDMO CO[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001090948356 948081823 /nfs/dbraw/zinc/08/18/23/948081823.db2.gz PGFCTKZIVVAADO-SJLPKXTDSA-N 1 1 360.433 1.501 20 30 FDEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@]3(CC3(F)F)C2)CC1 ZINC000844438452 948087996 /nfs/dbraw/zinc/08/79/96/948087996.db2.gz CULPEDFMZXKJCG-DOTOQJQBSA-N 1 1 354.445 1.800 20 30 FDEDMO C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cccn3)ccn2)C1 ZINC001196098319 971457420 /nfs/dbraw/zinc/45/74/20/971457420.db2.gz XHNXPKVNLGIWIF-RTBURBONSA-N 1 1 369.469 1.789 20 30 FDEDMO N#Cc1cncc(C[N@@H+]2CC[C@H]3OC[C@@H](C(=O)N4CCCC4)C[C@H]3C2)c1 ZINC001144074717 948187136 /nfs/dbraw/zinc/18/71/36/948187136.db2.gz BBKLKTKALGFZAX-GBESFXJTSA-N 1 1 354.454 1.803 20 30 FDEDMO C[NH+](C)CCCNC(=S)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000844596259 948233257 /nfs/dbraw/zinc/23/32/57/948233257.db2.gz IUGXOVXFQRYEOA-UHFFFAOYSA-N 1 1 359.543 1.938 20 30 FDEDMO CCc1nc(N2C[C@H]3OCCN(C(=O)CSCC#N)[C@H]3C2)cc(C)[nH+]1 ZINC001091033446 948555060 /nfs/dbraw/zinc/55/50/60/948555060.db2.gz PRONBZONDCYHNO-UONOGXRCSA-N 1 1 361.471 1.020 20 30 FDEDMO CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001196160400 971512854 /nfs/dbraw/zinc/51/28/54/971512854.db2.gz IABJJGGJTNAGNL-HUUCEWRRSA-N 1 1 351.495 1.778 20 30 FDEDMO CCc1cc(N2C[C@@H](NC(=O)CC#Cc3ccccc3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001091114818 949306860 /nfs/dbraw/zinc/30/68/60/949306860.db2.gz QFNUNFRHTHFAHU-MOPGFXCFSA-N 1 1 364.449 1.455 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@H]1O ZINC001196276483 971602286 /nfs/dbraw/zinc/60/22/86/971602286.db2.gz RBHDQEFHQXCRFY-WTGUMLROSA-N 1 1 374.481 1.346 20 30 FDEDMO C[NH+]1CCN(c2ncc(C=[NH+][N-]c3nc4cccnc4s3)cn2)CC1 ZINC000857218796 971653707 /nfs/dbraw/zinc/65/37/07/971653707.db2.gz QUAMYOIDTXNGBH-UHFFFAOYSA-N 1 1 354.443 1.679 20 30 FDEDMO CC(C)[C@H](CNc1cnc(C#N)c(-c2nn[nH]n2)n1)[NH+]1CCC(C)CC1 ZINC001576194537 950346218 /nfs/dbraw/zinc/34/62/18/950346218.db2.gz ZWDITBDSZIRVNI-AWEZNQCLSA-N 1 1 355.450 1.697 20 30 FDEDMO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cc(F)ccc1C#N ZINC001574994673 950491842 /nfs/dbraw/zinc/49/18/42/950491842.db2.gz WQOSAZPJUKTABS-JTQLQIEISA-N 1 1 368.376 1.114 20 30 FDEDMO CC(=O)N1CCO[C@]2(C1)COCC[N@H+]([C@@H](C)Cc1cccc(C#N)c1)C2 ZINC001171216735 950690530 /nfs/dbraw/zinc/69/05/30/950690530.db2.gz KFMXFUQKHFCYNX-OXJNMPFZSA-N 1 1 357.454 1.439 20 30 FDEDMO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571011894 951246115 /nfs/dbraw/zinc/24/61/15/951246115.db2.gz ARNPLBISLPVKII-ZDUSSCGKSA-N 1 1 363.853 1.922 20 30 FDEDMO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571011894 951246129 /nfs/dbraw/zinc/24/61/29/951246129.db2.gz ARNPLBISLPVKII-ZDUSSCGKSA-N 1 1 363.853 1.922 20 30 FDEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCCCO3)C2)cc1 ZINC001196534388 971755945 /nfs/dbraw/zinc/75/59/45/971755945.db2.gz DQXHVYYMKIRZKV-GUDVDZBRSA-N 1 1 357.454 1.569 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCCCO3)C2)cc1 ZINC001196534388 971755953 /nfs/dbraw/zinc/75/59/53/971755953.db2.gz DQXHVYYMKIRZKV-GUDVDZBRSA-N 1 1 357.454 1.569 20 30 FDEDMO C=CC[N@@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@H]3OCCO[C@H]3C)c2)C1 ZINC001091400506 951572687 /nfs/dbraw/zinc/57/26/87/951572687.db2.gz KKKLUAYDKPJZIH-QGTPRVQTSA-N 1 1 361.442 1.141 20 30 FDEDMO CC(C)[C@H](C#N)N1CC[NH+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846835038 951641489 /nfs/dbraw/zinc/64/14/89/951641489.db2.gz HLQSNBVLRKEKRR-QFBILLFUSA-N 1 1 366.506 1.524 20 30 FDEDMO 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C#Cc1ccc(C(=O)N(CC)C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc1 ZINC000968201834 1014746953 /nfs/dbraw/zinc/74/69/53/1014746953.db2.gz DYVSRUDJOYPGGR-DNVCBOLYSA-N 1 1 369.465 1.060 20 30 FDEDMO C#Cc1ccc(C(=O)N(CC)C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc1 ZINC000968201834 1014746961 /nfs/dbraw/zinc/74/69/61/1014746961.db2.gz DYVSRUDJOYPGGR-DNVCBOLYSA-N 1 1 369.465 1.060 20 30 FDEDMO CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)CCOC)C2 ZINC001110729273 981687186 /nfs/dbraw/zinc/68/71/86/981687186.db2.gz FEECQGKAVUOQRO-ZACQAIPSSA-N 1 1 374.547 1.740 20 30 FDEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)CCOC)C2 ZINC001110729273 981687195 /nfs/dbraw/zinc/68/71/95/981687195.db2.gz FEECQGKAVUOQRO-ZACQAIPSSA-N 1 1 374.547 1.740 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc(CC)c1)C2 ZINC001110732563 981692078 /nfs/dbraw/zinc/69/20/78/981692078.db2.gz KKQWQGWKHDPUNP-OBZTUIKSSA-N 1 1 367.493 1.651 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc(CC)c1)C2 ZINC001110732563 981692079 /nfs/dbraw/zinc/69/20/79/981692079.db2.gz KKQWQGWKHDPUNP-OBZTUIKSSA-N 1 1 367.493 1.651 20 30 FDEDMO C#CCNC(=O)CC[N@@H+]1CCn2c(Cc3cccc(F)c3F)nnc2C1 ZINC000857959912 981766247 /nfs/dbraw/zinc/76/62/47/981766247.db2.gz FPDLHFYQGLGNPG-UHFFFAOYSA-N 1 1 359.380 1.102 20 30 FDEDMO C#CCNC(=O)CC[N@H+]1CCn2c(Cc3cccc(F)c3F)nnc2C1 ZINC000857959912 981766251 /nfs/dbraw/zinc/76/62/51/981766251.db2.gz FPDLHFYQGLGNPG-UHFFFAOYSA-N 1 1 359.380 1.102 20 30 FDEDMO C#CC[C@@H](CCOC)NC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000858138971 981856677 /nfs/dbraw/zinc/85/66/77/981856677.db2.gz DMZQKOZUECPUSB-OALUTQOASA-N 1 1 372.513 1.925 20 30 FDEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCN(c2cnccn2)CC1 ZINC000131042526 981968183 /nfs/dbraw/zinc/96/81/83/981968183.db2.gz ZXDPCDDNOIBYOP-UHFFFAOYSA-N 1 1 360.425 1.695 20 30 FDEDMO COc1cccc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2cccnc2C#N)c1 ZINC000883478198 982196087 /nfs/dbraw/zinc/19/60/87/982196087.db2.gz YTCVGCYGEFQZEO-INIZCTEOSA-N 1 1 358.423 1.297 20 30 FDEDMO C#C[C@H]1CC[C@H](NC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000883768262 982454761 /nfs/dbraw/zinc/45/47/61/982454761.db2.gz UJWROELEVJVAOM-GUDVDZBRSA-N 1 1 362.518 1.274 20 30 FDEDMO C#CC[C@H](CCOC)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000859025477 982464944 /nfs/dbraw/zinc/46/49/44/982464944.db2.gz RTRHMPANRMEDRR-KAKFPZCNSA-N 1 1 362.518 1.367 20 30 FDEDMO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c(C)nc[nH]c1=O)C2 ZINC001110765903 982556280 /nfs/dbraw/zinc/55/62/80/982556280.db2.gz XCFJWFNWDZCNHA-OIISXLGYSA-N 1 1 360.458 1.347 20 30 FDEDMO CC1(C)CN=C(N2CC[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC2)S1 ZINC000859194497 982611340 /nfs/dbraw/zinc/61/13/40/982611340.db2.gz HEAOYFJOKBYXSP-OAHLLOKOSA-N 1 1 366.531 1.557 20 30 FDEDMO C#CC[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000883911865 982611713 /nfs/dbraw/zinc/61/17/13/982611713.db2.gz BAEXCEDBSRNBLS-RBUKOAKNSA-N 1 1 362.518 1.228 20 30 FDEDMO C#CCC[NH+]1CCN([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000859212064 982622027 /nfs/dbraw/zinc/62/20/27/982622027.db2.gz CUXHNZUDYMVCTR-VQIMIIECSA-N 1 1 351.491 1.388 20 30 FDEDMO C#CCCN1CC[NH+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000859212064 982622030 /nfs/dbraw/zinc/62/20/30/982622030.db2.gz CUXHNZUDYMVCTR-VQIMIIECSA-N 1 1 351.491 1.388 20 30 FDEDMO N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C(N)=O)cc2)[nH]1 ZINC001095327640 982680024 /nfs/dbraw/zinc/68/00/24/982680024.db2.gz XMBBHPXLNVQOCB-NJAFHUGGSA-N 1 1 363.421 1.521 20 30 FDEDMO C#C[C@H](CCC)NC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000890212792 982698391 /nfs/dbraw/zinc/69/83/91/982698391.db2.gz BAVLWKNYENTSJX-VQIMIIECSA-N 1 1 368.481 1.828 20 30 FDEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)C1 ZINC000884044040 982746224 /nfs/dbraw/zinc/74/62/24/982746224.db2.gz RNLKEPXUMKYVGG-PMACEKPBSA-N 1 1 370.497 1.457 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)C1 ZINC000884044040 982746226 /nfs/dbraw/zinc/74/62/26/982746226.db2.gz RNLKEPXUMKYVGG-PMACEKPBSA-N 1 1 370.497 1.457 20 30 FDEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000884096495 982861495 /nfs/dbraw/zinc/86/14/95/982861495.db2.gz XGQWGYCRVQOPOU-HKUYNNGSSA-N 1 1 370.497 1.981 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000884096495 982861500 /nfs/dbraw/zinc/86/15/00/982861500.db2.gz XGQWGYCRVQOPOU-HKUYNNGSSA-N 1 1 370.497 1.981 20 30 FDEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2cccc(CS(C)(=O)=O)c2)C1 ZINC000884109527 982880760 /nfs/dbraw/zinc/88/07/60/982880760.db2.gz JGLYRMBREXXMRH-KRWDZBQOSA-N 1 1 363.483 1.128 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2cccc(CS(C)(=O)=O)c2)C1 ZINC000884109527 982880770 /nfs/dbraw/zinc/88/07/70/982880770.db2.gz JGLYRMBREXXMRH-KRWDZBQOSA-N 1 1 363.483 1.128 20 30 FDEDMO C=CCC1(O)CCN(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000884163544 982939998 /nfs/dbraw/zinc/93/99/98/982939998.db2.gz JJUJAMRKWWZIKM-MRXNPFEDSA-N 1 1 350.507 1.268 20 30 FDEDMO C=CCC1(O)CCN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000884163544 982939999 /nfs/dbraw/zinc/93/99/99/982939999.db2.gz JJUJAMRKWWZIKM-MRXNPFEDSA-N 1 1 350.507 1.268 20 30 FDEDMO Cc1ccc([C@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)N2CCCC2)o1 ZINC000884210068 982986448 /nfs/dbraw/zinc/98/64/48/982986448.db2.gz PTWARKXZSMUDLS-RXCRORICSA-N 1 1 356.470 1.981 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccc(F)cc1)C2 ZINC001110776857 982999541 /nfs/dbraw/zinc/99/95/41/982999541.db2.gz SUJVOPSGAGFPQK-AXUOBQJMSA-N 1 1 371.456 1.618 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccc(F)cc1)C2 ZINC001110776857 982999546 /nfs/dbraw/zinc/99/95/46/982999546.db2.gz SUJVOPSGAGFPQK-AXUOBQJMSA-N 1 1 371.456 1.618 20 30 FDEDMO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCNC[C@@H]1c1cccc(Cl)c1)C2 ZINC000884279691 983050818 /nfs/dbraw/zinc/05/08/18/983050818.db2.gz RBIBQZBRNMXGDG-QXCFYTAISA-N 1 1 358.873 1.952 20 30 FDEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(S(C)(=O)=O)s2)C1 ZINC000884286566 983058333 /nfs/dbraw/zinc/05/83/33/983058333.db2.gz HGIPEOOZLIXAAJ-LBPRGKRZSA-N 1 1 355.485 1.048 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(S(C)(=O)=O)s2)C1 ZINC000884286566 983058336 /nfs/dbraw/zinc/05/83/36/983058336.db2.gz HGIPEOOZLIXAAJ-LBPRGKRZSA-N 1 1 355.485 1.048 20 30 FDEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)C1 ZINC000884292997 983062084 /nfs/dbraw/zinc/06/20/84/983062084.db2.gz PZBNVWIMSOSISS-RTBURBONSA-N 1 1 368.481 1.493 20 30 FDEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)C1 ZINC000884292997 983062089 /nfs/dbraw/zinc/06/20/89/983062089.db2.gz PZBNVWIMSOSISS-RTBURBONSA-N 1 1 368.481 1.493 20 30 FDEDMO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000332560387 983075756 /nfs/dbraw/zinc/07/57/56/983075756.db2.gz WCGXJMVQSYTFNU-KRWDZBQOSA-N 1 1 356.470 1.118 20 30 FDEDMO C=CCC1(O)CC[NH+](CN2C[C@H](NC(=O)OC(C)(C)C)CC2=O)CC1 ZINC000884479762 983182853 /nfs/dbraw/zinc/18/28/53/983182853.db2.gz QZZPUNKXKFDQKA-CQSZACIVSA-N 1 1 353.463 1.473 20 30 FDEDMO N#Cc1ccccc1CN1C(=O)CN(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)C1=O ZINC000884483245 983185369 /nfs/dbraw/zinc/18/53/69/983185369.db2.gz QJFICWVQTYDROL-ZWKOTPCHSA-N 1 1 368.437 1.781 20 30 FDEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC([C@H](O)c2cccc(OC)c2)CC1 ZINC000860147366 983260993 /nfs/dbraw/zinc/26/09/93/983260993.db2.gz XSCAWERJHPZLEQ-SFHVURJKSA-N 1 1 361.442 1.452 20 30 FDEDMO C#CC[C@H](COC)NC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000860515878 983428794 /nfs/dbraw/zinc/42/87/94/983428794.db2.gz KWUJFQKAHUTBJV-IAGOWNOFSA-N 1 1 358.442 1.296 20 30 FDEDMO C#CC[C@H](COC)NC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000860515878 983428796 /nfs/dbraw/zinc/42/87/96/983428796.db2.gz KWUJFQKAHUTBJV-IAGOWNOFSA-N 1 1 358.442 1.296 20 30 FDEDMO N#Cc1ccc(CC(=O)OCCN2CC[NH+](Cc3ccsc3)CC2)cn1 ZINC000860571978 983447010 /nfs/dbraw/zinc/44/70/10/983447010.db2.gz LQPUZGYJCLIAJN-UHFFFAOYSA-N 1 1 370.478 1.918 20 30 FDEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000862031585 984066466 /nfs/dbraw/zinc/06/64/66/984066466.db2.gz IIMYJUFUSFWUOD-CQSZACIVSA-N 1 1 361.417 1.624 20 30 FDEDMO C#CCCOc1ccc(C[N@@H+]2CCCN(C(=O)CNC(C)=O)CC2)cc1 ZINC000862503862 984401851 /nfs/dbraw/zinc/40/18/51/984401851.db2.gz IOJMFIVJEUYCBP-UHFFFAOYSA-N 1 1 357.454 1.259 20 30 FDEDMO N#CCCc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000885214519 985247737 /nfs/dbraw/zinc/24/77/37/985247737.db2.gz QYCILOXGGJSJPC-MRXNPFEDSA-N 1 1 351.472 1.268 20 30 FDEDMO N#CCCc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000885214519 985247750 /nfs/dbraw/zinc/24/77/50/985247750.db2.gz QYCILOXGGJSJPC-MRXNPFEDSA-N 1 1 351.472 1.268 20 30 FDEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000885860732 985709758 /nfs/dbraw/zinc/70/97/58/985709758.db2.gz MAPNAKGJBHWDDY-GOSISDBHSA-N 1 1 373.501 1.716 20 30 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ZINC001129757042 938501968 /nfs/dbraw/zinc/50/19/68/938501968.db2.gz SDXZBJSKISDBMA-SJORKVTESA-N 1 1 370.457 1.618 20 30 FDEDMO CC(C)(C)C#CC(=O)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1 ZINC001129824726 938522789 /nfs/dbraw/zinc/52/27/89/938522789.db2.gz ADDYGBSJEHYTDS-CABCVRRESA-N 1 1 358.471 1.326 20 30 FDEDMO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH]ncc32)C[C@@H]1n1ccnn1 ZINC001129844755 938525266 /nfs/dbraw/zinc/52/52/66/938525266.db2.gz JBVAZWWAMNEDDI-QGTPRVQTSA-N 1 1 369.473 1.429 20 30 FDEDMO C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001086625458 938529336 /nfs/dbraw/zinc/52/93/36/938529336.db2.gz BSXGGBLQFNCEJL-CEXWTWQISA-N 1 1 353.466 1.462 20 30 FDEDMO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001129897609 938558369 /nfs/dbraw/zinc/55/83/69/938558369.db2.gz BVCCJODVARHFSI-SRABZTEZSA-N 1 1 355.446 1.113 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001086626413 938575955 /nfs/dbraw/zinc/57/59/55/938575955.db2.gz MJIKHPXULSVUIQ-KSZLIROESA-N 1 1 356.470 1.690 20 30 FDEDMO C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001086626808 938587688 /nfs/dbraw/zinc/58/76/88/938587688.db2.gz FNWUGBWHUCXZDB-OKZBNKHCSA-N 1 1 369.465 1.590 20 30 FDEDMO C=CCCCC(=O)N1C[C@@H]([NH2+][C@@H](C)c2cnccn2)[C@@H](n2ccnn2)C1 ZINC001129986918 938610033 /nfs/dbraw/zinc/61/00/33/938610033.db2.gz QRFSDTQIWZOBLG-UAGQMJEPSA-N 1 1 355.446 1.527 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CSC)n1 ZINC001130181664 938728713 /nfs/dbraw/zinc/72/87/13/938728713.db2.gz OXYXFNHKSYRWBV-STQMWFEESA-N 1 1 353.492 1.212 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CSC)n[nH]1 ZINC001130181664 938728714 /nfs/dbraw/zinc/72/87/14/938728714.db2.gz OXYXFNHKSYRWBV-STQMWFEESA-N 1 1 353.492 1.212 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C)OC)[nH]1 ZINC001130193022 938737334 /nfs/dbraw/zinc/73/73/34/938737334.db2.gz FMXXUQYNLXUILH-AGIUHOORSA-N 1 1 371.869 1.061 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H](C)OC)n1 ZINC001130193459 938738040 /nfs/dbraw/zinc/73/80/40/938738040.db2.gz ZAONKENQHWDWIE-ILXRZTDVSA-N 1 1 365.478 1.274 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H](C)OC)n[nH]1 ZINC001130193459 938738042 /nfs/dbraw/zinc/73/80/42/938738042.db2.gz ZAONKENQHWDWIE-ILXRZTDVSA-N 1 1 365.478 1.274 20 30 FDEDMO CCCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C#N)n1 ZINC001130203069 938745002 /nfs/dbraw/zinc/74/50/02/938745002.db2.gz RMHSKNDDSZIMJJ-KKUMJFAQSA-N 1 1 362.478 1.623 20 30 FDEDMO CCCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)C#N)n[nH]1 ZINC001130203069 938745006 /nfs/dbraw/zinc/74/50/06/938745006.db2.gz RMHSKNDDSZIMJJ-KKUMJFAQSA-N 1 1 362.478 1.623 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCC(C)(F)F)n1 ZINC001130220476 938747231 /nfs/dbraw/zinc/74/72/31/938747231.db2.gz ABTVJLXIQIVULM-RYUDHWBXSA-N 1 1 357.405 1.504 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCC(C)(F)F)n[nH]1 ZINC001130220476 938747233 /nfs/dbraw/zinc/74/72/33/938747233.db2.gz ABTVJLXIQIVULM-RYUDHWBXSA-N 1 1 357.405 1.504 20 30 FDEDMO C#CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C/C=C\Cl)n[nH]1 ZINC001130209510 938747606 /nfs/dbraw/zinc/74/76/06/938747606.db2.gz DPNOTUPHWDKQHU-QDDHOEGMSA-N 1 1 365.865 1.439 20 30 FDEDMO C#CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C/C=C\Cl)n1 ZINC001130209510 938747607 /nfs/dbraw/zinc/74/76/07/938747607.db2.gz DPNOTUPHWDKQHU-QDDHOEGMSA-N 1 1 365.865 1.439 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C(F)F)CC2)n1 ZINC001130212988 938750084 /nfs/dbraw/zinc/75/00/84/938750084.db2.gz NUNOECKBSNKUPR-RYUDHWBXSA-N 1 1 369.416 1.504 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(C(F)F)CC2)n[nH]1 ZINC001130212988 938750085 /nfs/dbraw/zinc/75/00/85/938750085.db2.gz NUNOECKBSNKUPR-RYUDHWBXSA-N 1 1 369.416 1.504 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C2CCC2)n1 ZINC001130221057 938756413 /nfs/dbraw/zinc/75/64/13/938756413.db2.gz RGIPQAAJSCTBDP-KBMXLJTQSA-N 1 1 359.474 1.343 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)C2CCC2)n[nH]1 ZINC001130221057 938756414 /nfs/dbraw/zinc/75/64/14/938756414.db2.gz RGIPQAAJSCTBDP-KBMXLJTQSA-N 1 1 359.474 1.343 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C(C)(C)C)n1 ZINC001130221068 938756423 /nfs/dbraw/zinc/75/64/23/938756423.db2.gz SDHVRECAIKOARL-ILXRZTDVSA-N 1 1 361.490 1.589 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)C(C)(C)C)n[nH]1 ZINC001130221068 938756424 /nfs/dbraw/zinc/75/64/24/938756424.db2.gz SDHVRECAIKOARL-ILXRZTDVSA-N 1 1 361.490 1.589 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(F)CCCC2)[nH]1 ZINC001130221054 938756462 /nfs/dbraw/zinc/75/64/62/938756462.db2.gz REAVGOVCQVSMAB-KBPBESRZSA-N 1 1 363.437 1.189 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)[nH]1 ZINC001130223580 938757514 /nfs/dbraw/zinc/75/75/14/938757514.db2.gz XVJBMJNHJLCADG-VIQHNZTISA-N 1 1 371.485 1.343 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C)CCCC2)n1 ZINC001130224905 938758972 /nfs/dbraw/zinc/75/89/72/938758972.db2.gz IGPSCFOTQKQBSF-GJZGRUSLSA-N 1 1 359.474 1.487 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(C)CCCC2)n[nH]1 ZINC001130224905 938758973 /nfs/dbraw/zinc/75/89/73/938758973.db2.gz IGPSCFOTQKQBSF-GJZGRUSLSA-N 1 1 359.474 1.487 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](F)CC)n1 ZINC001130227576 938761174 /nfs/dbraw/zinc/76/11/74/938761174.db2.gz DZXRDLQCVFZCRZ-IHRRRGAJSA-N 1 1 353.442 1.597 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](F)CC)n[nH]1 ZINC001130227576 938761178 /nfs/dbraw/zinc/76/11/78/938761178.db2.gz DZXRDLQCVFZCRZ-IHRRRGAJSA-N 1 1 353.442 1.597 20 30 FDEDMO C=C(C)C[C@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130232710 938765212 /nfs/dbraw/zinc/76/52/12/938765212.db2.gz OUQNDNDIBJTHCQ-BPUTZDHNSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C(C)C[C@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1 ZINC001130232710 938765213 /nfs/dbraw/zinc/76/52/13/938765213.db2.gz OUQNDNDIBJTHCQ-BPUTZDHNSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(C)(F)F)n1 ZINC001130232919 938765308 /nfs/dbraw/zinc/76/53/08/938765308.db2.gz UBQFOTGAXRSRNZ-RYUDHWBXSA-N 1 1 357.405 1.504 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(C)(F)F)n[nH]1 ZINC001130232919 938765309 /nfs/dbraw/zinc/76/53/09/938765309.db2.gz UBQFOTGAXRSRNZ-RYUDHWBXSA-N 1 1 357.405 1.504 20 30 FDEDMO C=C1CC(C)(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)C1 ZINC001130235060 938766089 /nfs/dbraw/zinc/76/60/89/938766089.db2.gz SRZWKHBXIUSXSO-STQMWFEESA-N 1 1 351.426 1.209 20 30 FDEDMO C=C1CC(C)(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCF)n2)C1 ZINC001130235060 938766090 /nfs/dbraw/zinc/76/60/90/938766090.db2.gz SRZWKHBXIUSXSO-STQMWFEESA-N 1 1 351.426 1.209 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC3(CC3)C2)[nH]1 ZINC001130235192 938766487 /nfs/dbraw/zinc/76/64/87/938766487.db2.gz XNCGOHCUQAHJNO-GJZGRUSLSA-N 1 1 357.458 1.097 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2CCC)n1 ZINC001130240469 938768464 /nfs/dbraw/zinc/76/84/64/938768464.db2.gz QDUSETHLXWDKHC-QXSJWSMHSA-N 1 1 359.474 1.343 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]2CCC)n[nH]1 ZINC001130240469 938768466 /nfs/dbraw/zinc/76/84/66/938768466.db2.gz QDUSETHLXWDKHC-QXSJWSMHSA-N 1 1 359.474 1.343 20 30 FDEDMO C=C(Cl)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)OCC)CC1 ZINC001130276460 938787252 /nfs/dbraw/zinc/78/72/52/938787252.db2.gz BFWSZZPBDALAFM-LXZKKBNFSA-N 1 1 371.909 1.639 20 30 FDEDMO C=C(Cl)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CC)OC)CC1 ZINC001130286126 938790967 /nfs/dbraw/zinc/79/09/67/938790967.db2.gz YJKYWUVSUYNGRW-INMHGKMJSA-N 1 1 371.909 1.639 20 30 FDEDMO C=CC[C@@H](NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1 ZINC000805810208 938830570 /nfs/dbraw/zinc/83/05/70/938830570.db2.gz FZNUEKYXNCKYBG-SOLBZPMBSA-N 1 1 374.485 1.431 20 30 FDEDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000822856380 945253718 /nfs/dbraw/zinc/25/37/18/945253718.db2.gz OSMBNGIPADIOLC-DLBZAZTESA-N 1 1 371.485 1.809 20 30 FDEDMO C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nc(C)oc2C)C1 ZINC001130580969 939893236 /nfs/dbraw/zinc/89/32/36/939893236.db2.gz UCMRAMGWUOZYST-QFBILLFUSA-N 1 1 369.469 1.913 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCCCC)C1 ZINC001111678444 939949079 /nfs/dbraw/zinc/94/90/79/939949079.db2.gz FCPUFFQTXCDUMT-GJYPPUQNSA-N 1 1 351.491 1.465 20 30 FDEDMO C#CCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1c1cn(C)cn1 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C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@H]21 ZINC001188063788 965987896 /nfs/dbraw/zinc/98/78/96/965987896.db2.gz QISOUNPIMZNGJM-LSDHHAIUSA-N 1 1 362.474 1.063 20 30 FDEDMO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C[C@H]21 ZINC001188087650 965999743 /nfs/dbraw/zinc/99/97/43/965999743.db2.gz VLNPTZWQDBTXAM-OWCLPIDISA-N 1 1 364.490 1.498 20 30 FDEDMO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C[C@H]21 ZINC001188087650 965999747 /nfs/dbraw/zinc/99/97/47/965999747.db2.gz VLNPTZWQDBTXAM-OWCLPIDISA-N 1 1 364.490 1.498 20 30 FDEDMO C=C(C)[C@H](CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC(C)C)C[C@H]21)OCC ZINC001188094885 966004379 /nfs/dbraw/zinc/00/43/79/966004379.db2.gz CPGBXCHVYDFOGE-KSZLIROESA-N 1 1 365.518 1.663 20 30 FDEDMO C=C(C)[C@H](CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC(C)C)C[C@H]21)OCC ZINC001188094885 966004398 /nfs/dbraw/zinc/00/43/98/966004398.db2.gz CPGBXCHVYDFOGE-KSZLIROESA-N 1 1 365.518 1.663 20 30 FDEDMO CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 ZINC001188107676 966025537 /nfs/dbraw/zinc/02/55/37/966025537.db2.gz VQYNDXVZXNGXPH-JKSUJKDBSA-N 1 1 359.536 1.381 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3[nH]ccc3C3CC3)[C@@H]2C1 ZINC001188164976 966069209 /nfs/dbraw/zinc/06/92/09/966069209.db2.gz IJSUAUBYPMLRFK-JLJPHGGASA-N 1 1 354.454 1.176 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3[nH]ccc3C3CC3)[C@@H]2C1 ZINC001188164976 966069223 /nfs/dbraw/zinc/06/92/23/966069223.db2.gz IJSUAUBYPMLRFK-JLJPHGGASA-N 1 1 354.454 1.176 20 30 FDEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCc3ncc(C)o3)[C@@H]2C1 ZINC001188182219 966085922 /nfs/dbraw/zinc/08/59/22/966085922.db2.gz VZCMTSDYNKQYAO-JKSUJKDBSA-N 1 1 360.458 1.141 20 30 FDEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCc3ncc(C)o3)[C@@H]2C1 ZINC001188182219 966085942 /nfs/dbraw/zinc/08/59/42/966085942.db2.gz VZCMTSDYNKQYAO-JKSUJKDBSA-N 1 1 360.458 1.141 20 30 FDEDMO COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCN(C)c4ccccc43)[C@@H]2C1 ZINC001188231643 966142627 /nfs/dbraw/zinc/14/26/27/966142627.db2.gz WVWOOXFWQBDGDL-HFSMHLIXSA-N 1 1 367.493 1.793 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC3(F)F)[C@@H]2C1 ZINC001188298570 966152265 /nfs/dbraw/zinc/15/22/65/966152265.db2.gz CSKHLIABSMVALW-ARFHVFGLSA-N 1 1 367.440 1.765 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC3(F)F)[C@@H]2C1 ZINC001188298570 966152275 /nfs/dbraw/zinc/15/22/75/966152275.db2.gz CSKHLIABSMVALW-ARFHVFGLSA-N 1 1 367.440 1.765 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3c(C)ncn3C)[C@@H]2C1 ZINC001188255388 966158172 /nfs/dbraw/zinc/15/81/72/966158172.db2.gz LPCBDGWJDHCUEB-DLBZAZTESA-N 1 1 371.485 1.075 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3c(C)ncn3C)[C@@H]2C1 ZINC001188255388 966158179 /nfs/dbraw/zinc/15/81/79/966158179.db2.gz LPCBDGWJDHCUEB-DLBZAZTESA-N 1 1 371.485 1.075 20 30 FDEDMO C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 ZINC001188387153 966254336 /nfs/dbraw/zinc/25/43/36/966254336.db2.gz AXWZAVMJESGADU-ZWKOTPCHSA-N 1 1 362.518 1.040 20 30 FDEDMO COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ncn4ccc(C)cc34)[C@@H]2C1 ZINC001188396427 966263618 /nfs/dbraw/zinc/26/36/18/966263618.db2.gz LIEYHYHUEUQNKT-FUHWJXTLSA-N 1 1 352.438 1.439 20 30 FDEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(C)on1)C2 ZINC001110397772 966298457 /nfs/dbraw/zinc/29/84/57/966298457.db2.gz YQAUVRCSGAGGDC-KURKYZTESA-N 1 1 374.485 1.672 20 30 FDEDMO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(C)on1)C2 ZINC001110397772 966298464 /nfs/dbraw/zinc/29/84/64/966298464.db2.gz YQAUVRCSGAGGDC-KURKYZTESA-N 1 1 374.485 1.672 20 30 FDEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)n([C@@H](C)CC)n3)[C@@H]2C1 ZINC001188406061 966302579 /nfs/dbraw/zinc/30/25/79/966302579.db2.gz ZSDZNQLRWJNVLM-QILLFSRXSA-N 1 1 371.485 1.058 20 30 FDEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)n([C@@H](C)CC)n3)[C@@H]2C1 ZINC001188406061 966302598 /nfs/dbraw/zinc/30/25/98/966302598.db2.gz ZSDZNQLRWJNVLM-QILLFSRXSA-N 1 1 371.485 1.058 20 30 FDEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3cccc(OC)c3)[C@@H]2C1 ZINC001188528759 966364058 /nfs/dbraw/zinc/36/40/58/966364058.db2.gz TYZSAGWIXVXWJV-PKOBYXMFSA-N 1 1 371.481 1.463 20 30 FDEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cccc(OC)c3)[C@@H]2C1 ZINC001188528759 966364068 /nfs/dbraw/zinc/36/40/68/966364068.db2.gz TYZSAGWIXVXWJV-PKOBYXMFSA-N 1 1 371.481 1.463 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(OC)cs3)[C@@H]2C1 ZINC001188752985 966524494 /nfs/dbraw/zinc/52/44/94/966524494.db2.gz PRVIKZUAMCFOBL-KCQAQPDRSA-N 1 1 361.467 1.041 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cc(OC)cs3)[C@@H]2C1 ZINC001188752985 966524508 /nfs/dbraw/zinc/52/45/08/966524508.db2.gz PRVIKZUAMCFOBL-KCQAQPDRSA-N 1 1 361.467 1.041 20 30 FDEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)CC(=C)C)[C@@H]2C1 ZINC001188885566 966606448 /nfs/dbraw/zinc/60/64/48/966606448.db2.gz QNWLAJICCWJJPZ-OWCLPIDISA-N 1 1 362.474 1.133 20 30 FDEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)CC(=C)C)[C@@H]2C1 ZINC001188885566 966606453 /nfs/dbraw/zinc/60/64/53/966606453.db2.gz QNWLAJICCWJJPZ-OWCLPIDISA-N 1 1 362.474 1.133 20 30 FDEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCCC3(F)F)[C@@H]2C1 ZINC001188931616 966651539 /nfs/dbraw/zinc/65/15/39/966651539.db2.gz HHNMNMVAJMMMDC-RRFJBIMHSA-N 1 1 355.429 1.647 20 30 FDEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCCC3(F)F)[C@@H]2C1 ZINC001188931616 966651543 /nfs/dbraw/zinc/65/15/43/966651543.db2.gz HHNMNMVAJMMMDC-RRFJBIMHSA-N 1 1 355.429 1.647 20 30 FDEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3cc(F)ccc3F)[C@@H]2C1 ZINC001188956816 966671501 /nfs/dbraw/zinc/67/15/01/966671501.db2.gz NXKBVDWHIGGSPB-SUMWQHHRSA-N 1 1 363.408 1.342 20 30 FDEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cc(F)ccc3F)[C@@H]2C1 ZINC001188956816 966671508 /nfs/dbraw/zinc/67/15/08/966671508.db2.gz NXKBVDWHIGGSPB-SUMWQHHRSA-N 1 1 363.408 1.342 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3cccc(C)c3)[C@@H]2C1 ZINC001188992118 966689439 /nfs/dbraw/zinc/68/94/39/966689439.db2.gz QKPZPBRIBNYPSN-NZSAHSFTSA-N 1 1 355.482 1.761 20 30 FDEDMO C=CCCCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(c4cnn(C)c4)C3=O)C[C@H]21 ZINC001189007185 966696769 /nfs/dbraw/zinc/69/67/69/966696769.db2.gz PMZCIOGECDCYSQ-CGTJXYLNSA-N 1 1 371.485 1.414 20 30 FDEDMO C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]32)CC1 ZINC001189040968 966712488 /nfs/dbraw/zinc/71/24/88/966712488.db2.gz MMJXMHKRNXJLPR-BPQIPLTHSA-N 1 1 368.543 1.946 20 30 FDEDMO C=C1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]32)CC1 ZINC001189040968 966712489 /nfs/dbraw/zinc/71/24/89/966712489.db2.gz MMJXMHKRNXJLPR-BPQIPLTHSA-N 1 1 368.543 1.946 20 30 FDEDMO COC[C@H](OC)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001189068274 966731041 /nfs/dbraw/zinc/73/10/41/966731041.db2.gz FGIUSYJOZNHYTK-JQHSSLGASA-N 1 1 361.417 1.391 20 30 FDEDMO COC[C@H](OC)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001189068274 966731043 /nfs/dbraw/zinc/73/10/43/966731043.db2.gz FGIUSYJOZNHYTK-JQHSSLGASA-N 1 1 361.417 1.391 20 30 FDEDMO COC[C@H](OC)C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001189069944 966734628 /nfs/dbraw/zinc/73/46/28/966734628.db2.gz UYPIMPJLJKREHQ-UHOSZYNNSA-N 1 1 360.429 1.371 20 30 FDEDMO COC[C@H](OC)C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001189069944 966734631 /nfs/dbraw/zinc/73/46/31/966734631.db2.gz UYPIMPJLJKREHQ-UHOSZYNNSA-N 1 1 360.429 1.371 20 30 FDEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC(F)(F)C3)[C@@H]2C1 ZINC001189109565 966738424 /nfs/dbraw/zinc/73/84/24/966738424.db2.gz AETOYIQCJYRTQC-SOUVJXGZSA-N 1 1 353.413 1.094 20 30 FDEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC(F)(F)C3)[C@@H]2C1 ZINC001189109565 966738428 /nfs/dbraw/zinc/73/84/28/966738428.db2.gz AETOYIQCJYRTQC-SOUVJXGZSA-N 1 1 353.413 1.094 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)ccc3F)[C@@H]2C1 ZINC001189238190 966847319 /nfs/dbraw/zinc/84/73/19/966847319.db2.gz UPCZDBBUHDRAJL-RVKKMQEKSA-N 1 1 359.445 1.971 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)ccc3F)[C@@H]2C1 ZINC001189238190 966847330 /nfs/dbraw/zinc/84/73/30/966847330.db2.gz UPCZDBBUHDRAJL-RVKKMQEKSA-N 1 1 359.445 1.971 20 30 FDEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4cc[nH]c4c3)[C@@H]2C1 ZINC001189238153 966847934 /nfs/dbraw/zinc/84/79/34/966847934.db2.gz SLXSPTPGLJFBTA-FUHWJXTLSA-N 1 1 350.422 1.064 20 30 FDEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4cc[nH]c4c3)[C@@H]2C1 ZINC001189238153 966847944 /nfs/dbraw/zinc/84/79/44/966847944.db2.gz SLXSPTPGLJFBTA-FUHWJXTLSA-N 1 1 350.422 1.064 20 30 FDEDMO 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20 30 FDEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(=O)cn4)C[C@@H]3C2)s1 ZINC001088083913 826223023 /nfs/dbraw/zinc/22/30/23/826223023.db2.gz OQHHFSNXSVARAG-OLZOCXBDSA-N 1 1 369.450 1.297 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc[nH]c2CC)[C@@H]1CC ZINC000985046778 826228953 /nfs/dbraw/zinc/22/89/53/826228953.db2.gz APXJBPGUVMXBKV-OTWHNJEPSA-N 1 1 370.497 1.784 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc[nH]c2CC)[C@@H]1CC ZINC000985046778 826228956 /nfs/dbraw/zinc/22/89/56/826228956.db2.gz APXJBPGUVMXBKV-OTWHNJEPSA-N 1 1 370.497 1.784 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=COCCC2)[C@@H]1CC ZINC000985047196 826230427 /nfs/dbraw/zinc/23/04/27/826230427.db2.gz GMQLHOTUHWQQHS-KSZLIROESA-N 1 1 359.470 1.274 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=COCCC2)[C@@H]1CC ZINC000985047196 826230434 /nfs/dbraw/zinc/23/04/34/826230434.db2.gz GMQLHOTUHWQQHS-KSZLIROESA-N 1 1 359.470 1.274 20 30 FDEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](Cc4nocc4C)CC[C@@H]3C2)c1 ZINC001088099821 826395574 /nfs/dbraw/zinc/39/55/74/826395574.db2.gz FEABYNSWWWFJNL-AEFFLSMTSA-N 1 1 350.422 1.953 20 30 FDEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4nocc4C)CC[C@@H]3C2)c1 ZINC001088099821 826395578 /nfs/dbraw/zinc/39/55/78/826395578.db2.gz FEABYNSWWWFJNL-AEFFLSMTSA-N 1 1 350.422 1.953 20 30 FDEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(=O)NC4CC4)CC[C@@H]3C2)c1 ZINC001088099746 826395884 /nfs/dbraw/zinc/39/58/84/826395884.db2.gz AWNBHEWWNCRCDW-LESCRADOSA-N 1 1 366.465 1.124 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccnc(OC)n3)CC[C@@H]2C1 ZINC001088112526 826444846 /nfs/dbraw/zinc/44/48/46/826444846.db2.gz KIUCJRQMJBAUAR-ATLSCFEFSA-N 1 1 372.469 1.357 20 30 FDEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cncc(N4CCCC4)n3)C[C@@H]2C1 ZINC001088130776 826562520 /nfs/dbraw/zinc/56/25/20/826562520.db2.gz GLWIHXGIAYOWSV-SJORKVTESA-N 1 1 353.470 1.494 20 30 FDEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4cc(C)on4)CC[C@@H]3C2)nn1 ZINC001088132727 826570213 /nfs/dbraw/zinc/57/02/13/826570213.db2.gz DEYBABQVQVJCIE-CABCVRRESA-N 1 1 356.430 1.355 20 30 FDEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cc(C)on4)CC[C@@H]3C2)nn1 ZINC001088132727 826570219 /nfs/dbraw/zinc/57/02/19/826570219.db2.gz DEYBABQVQVJCIE-CABCVRRESA-N 1 1 356.430 1.355 20 30 FDEDMO C=CCCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnoc4C)CC[C@@H]3C2)nn1 ZINC001088135202 826587498 /nfs/dbraw/zinc/58/74/98/826587498.db2.gz AOEZUIGNGCYIOH-WBVHZDCISA-N 1 1 370.457 1.745 20 30 FDEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)c3C(F)(F)F)C[C@@H]2C1 ZINC001088134233 826590723 /nfs/dbraw/zinc/59/07/23/826590723.db2.gz ZXRLIJQAYVECBC-NEPJUHHUSA-N 1 1 355.364 1.251 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCc3cnn(C)c3)CC[C@@H]2C1 ZINC001088136695 826608990 /nfs/dbraw/zinc/60/89/90/826608990.db2.gz BSMWVBROOOVPKX-FYQPLNBISA-N 1 1 372.513 1.724 20 30 FDEDMO Cn1ncc(C(=O)N2C[C@@H]3C[N@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)n1 ZINC001088139453 826641052 /nfs/dbraw/zinc/64/10/52/826641052.db2.gz NAKGOSOTBBZFFX-SJORKVTESA-N 1 1 350.426 1.281 20 30 FDEDMO C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC000987464926 833098476 /nfs/dbraw/zinc/09/84/76/833098476.db2.gz QXSBPUYMSBBPKY-AYOQOUSVSA-N 1 1 353.466 1.410 20 30 FDEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2[nH]c3ccccc3c2C#N)CC1 ZINC000897022041 826781364 /nfs/dbraw/zinc/78/13/64/826781364.db2.gz MLJBLXZPGOGPII-QGZVFWFLSA-N 1 1 365.437 1.418 20 30 FDEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cncn4)n3)C[C@@H]2C1 ZINC001088155172 826854524 /nfs/dbraw/zinc/85/45/24/826854524.db2.gz AOLDJWFCIOCQBR-CVEARBPZSA-N 1 1 352.442 1.632 20 30 FDEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cncn4)n3)C[C@@H]2C1 ZINC001088155661 826857205 /nfs/dbraw/zinc/85/72/05/826857205.db2.gz XBGFVVJPLBWJLX-CVEARBPZSA-N 1 1 350.426 1.080 20 30 FDEDMO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cnn(C)c1C#N ZINC000475185818 826901051 /nfs/dbraw/zinc/90/10/51/826901051.db2.gz YGRFXXLUPADFFV-AWEZNQCLSA-N 1 1 361.446 1.171 20 30 FDEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3coc(C4CCOCC4)n3)C[C@@H]2C1 ZINC001088163269 826931461 /nfs/dbraw/zinc/93/14/61/826931461.db2.gz GRIUHKNGHYHJCW-SJORKVTESA-N 1 1 357.454 1.986 20 30 FDEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn([C@@H]4CCOC4)nn3)C[C@@H]2C1 ZINC001088163834 826937976 /nfs/dbraw/zinc/93/79/76/826937976.db2.gz HWWKIKAOBDRSAZ-QLFBSQMISA-N 1 1 365.865 1.386 20 30 FDEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cn([C@@H]4CCOC4)nn3)C[C@@H]2C1 ZINC001088163834 826937981 /nfs/dbraw/zinc/93/79/81/826937981.db2.gz HWWKIKAOBDRSAZ-QLFBSQMISA-N 1 1 365.865 1.386 20 30 FDEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4nnc[nH]4)C[C@@H]3C2)c1 ZINC001088165088 826942584 /nfs/dbraw/zinc/94/25/84/826942584.db2.gz NDVHFEHDWNGINX-SJORKVTESA-N 1 1 350.426 1.199 20 30 FDEDMO N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4ncn[nH]4)C[C@@H]3C2)c1 ZINC001088165088 826942586 /nfs/dbraw/zinc/94/25/86/826942586.db2.gz NDVHFEHDWNGINX-SJORKVTESA-N 1 1 350.426 1.199 20 30 FDEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4ncn[nH]4)C[C@@H]3C2)c1 ZINC001088165088 826942592 /nfs/dbraw/zinc/94/25/92/826942592.db2.gz NDVHFEHDWNGINX-SJORKVTESA-N 1 1 350.426 1.199 20 30 FDEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]nc3-c3cnn(C)c3)C[C@@H]2C1 ZINC001088166506 826949055 /nfs/dbraw/zinc/94/90/55/826949055.db2.gz DQMBASMFHUBDGQ-ZBFHGGJFSA-N 1 1 354.458 1.780 20 30 FDEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cn[nH]c3-c3cnn(C)c3)C[C@@H]2C1 ZINC001088166506 826949062 /nfs/dbraw/zinc/94/90/62/826949062.db2.gz DQMBASMFHUBDGQ-ZBFHGGJFSA-N 1 1 354.458 1.780 20 30 FDEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn[nH]c3-c3cnn(C)c3)C[C@@H]2C1 ZINC001088166506 826949067 /nfs/dbraw/zinc/94/90/67/826949067.db2.gz DQMBASMFHUBDGQ-ZBFHGGJFSA-N 1 1 354.458 1.780 20 30 FDEDMO COCCOCc1cc(C#N)ccc1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897220478 827169666 /nfs/dbraw/zinc/16/96/66/827169666.db2.gz WRLWTGKOSNOCKU-PMACEKPBSA-N 1 1 359.470 1.757 20 30 FDEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCCC4)CC[C@@H]3C2)cn1 ZINC001088175360 827224713 /nfs/dbraw/zinc/22/47/13/827224713.db2.gz SCQCTNHUKCYVOO-MSOLQXFVSA-N 1 1 366.465 1.079 20 30 FDEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4conc4C)CC[C@@H]3C2)cn1 ZINC001088175228 827224793 /nfs/dbraw/zinc/22/47/93/827224793.db2.gz LJWDJUOLIXDOLN-SJORKVTESA-N 1 1 350.422 1.953 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@@H]3C2)s1 ZINC001088176543 827271879 /nfs/dbraw/zinc/27/18/79/827271879.db2.gz BJKYAGBONDDHHB-WWGRRREGSA-N 1 1 358.467 1.179 20 30 FDEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3CC(F)(F)F)C[C@@H]2C1 ZINC001088212599 827506206 /nfs/dbraw/zinc/50/62/06/827506206.db2.gz BRPYGNKCKWYGKN-PMPSAXMXSA-N 1 1 357.420 1.817 20 30 FDEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)C1 ZINC001088235367 827605153 /nfs/dbraw/zinc/60/51/53/827605153.db2.gz PYGHUCAQBITKEO-ZVDOUQERSA-N 1 1 360.498 1.908 20 30 FDEDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2[nH]c3ccccc3c2C#N)[C@@H](C)C1 ZINC000897307113 827805405 /nfs/dbraw/zinc/80/54/05/827805405.db2.gz HSDAACDVQFHSET-ZDUSSCGKSA-N 1 1 354.410 1.749 20 30 FDEDMO COC(=O)CC[N@H+]1CCN(C(=O)c2[nH]c3ccccc3c2C#N)[C@@H](C)C1 ZINC000897307113 827805414 /nfs/dbraw/zinc/80/54/14/827805414.db2.gz HSDAACDVQFHSET-ZDUSSCGKSA-N 1 1 354.410 1.749 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@H](C)c2nncn2C)CC1 ZINC000985436213 827822151 /nfs/dbraw/zinc/82/21/51/827822151.db2.gz YNBNUDMVYQFMDG-OIISXLGYSA-N 1 1 361.490 1.780 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@H+](C)[C@H](C)c2nncn2C)CC1 ZINC000985436213 827822157 /nfs/dbraw/zinc/82/21/57/827822157.db2.gz YNBNUDMVYQFMDG-OIISXLGYSA-N 1 1 361.490 1.780 20 30 FDEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)CCC)C[C@H]1C(F)(F)F ZINC001112185013 827874110 /nfs/dbraw/zinc/87/41/10/827874110.db2.gz PNVMPTWGNYRDTG-BFHYXJOUSA-N 1 1 361.408 1.541 20 30 FDEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(CC)CC)C[C@H]1C(F)(F)F ZINC001112186193 827927326 /nfs/dbraw/zinc/92/73/26/827927326.db2.gz WFIITABBBIMVMS-ZIAGYGMSSA-N 1 1 361.408 1.541 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000985500541 828055315 /nfs/dbraw/zinc/05/53/15/828055315.db2.gz WLOZATGTJYFZGH-UKPHBRMFSA-N 1 1 357.458 1.337 20 30 FDEDMO CC[N@@H+](CCNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)C(C)C ZINC000523291252 828166004 /nfs/dbraw/zinc/16/60/04/828166004.db2.gz YSUIFDNRDLMDNI-UHFFFAOYSA-N 1 1 356.474 1.997 20 30 FDEDMO C[NH+](C)CCOc1ccc(CCN[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000523734648 828261905 /nfs/dbraw/zinc/26/19/05/828261905.db2.gz AMOZUSACQCAXCU-FQEVSTJZSA-N 1 1 366.465 1.857 20 30 FDEDMO C[NH+](C)CCOc1ccc(CCN[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000523734649 828262309 /nfs/dbraw/zinc/26/23/09/828262309.db2.gz AMOZUSACQCAXCU-HXUWFJFHSA-N 1 1 366.465 1.857 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2cncc(OC)n2)CC1 ZINC000985662532 828866097 /nfs/dbraw/zinc/86/60/97/828866097.db2.gz XMMWEUUTCWEXJM-SJORKVTESA-N 1 1 360.458 1.499 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@@H+](C)CC(=O)N2CCCC2)CC1 ZINC000985694118 829016481 /nfs/dbraw/zinc/01/64/81/829016481.db2.gz HJIGJCKIKALDCR-HKUYNNGSSA-N 1 1 363.502 1.513 20 30 FDEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000527297224 829021791 /nfs/dbraw/zinc/02/17/91/829021791.db2.gz JGTTZEJUQCHWGE-MRXNPFEDSA-N 1 1 356.470 1.906 20 30 FDEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000527297224 829021799 /nfs/dbraw/zinc/02/17/99/829021799.db2.gz JGTTZEJUQCHWGE-MRXNPFEDSA-N 1 1 356.470 1.906 20 30 FDEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000448324672 829090288 /nfs/dbraw/zinc/09/02/88/829090288.db2.gz IBMCNONVFLDTOE-QGZVFWFLSA-N 1 1 354.454 1.684 20 30 FDEDMO COc1cc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)ccc1C#N ZINC000448550163 829178729 /nfs/dbraw/zinc/17/87/29/829178729.db2.gz RABYTKMMTOXAPA-WMZOPIPTSA-N 1 1 356.470 1.647 20 30 FDEDMO CC[N@H+]1CC[C@@H](N(C)CC#CCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000528415846 829394725 /nfs/dbraw/zinc/39/47/25/829394725.db2.gz JXYMDDKKHINQCV-VQIMIIECSA-N 1 1 353.466 1.948 20 30 FDEDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2C#N)cn1 ZINC000528433950 829409605 /nfs/dbraw/zinc/40/96/05/829409605.db2.gz UCNNVDOVCNLLIY-GBESFXJTSA-N 1 1 370.453 1.620 20 30 FDEDMO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000528480583 829420208 /nfs/dbraw/zinc/42/02/08/829420208.db2.gz FXAXQVTUVQDJJF-JKSUJKDBSA-N 1 1 353.426 1.550 20 30 FDEDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528503216 829428800 /nfs/dbraw/zinc/42/88/00/829428800.db2.gz DLMQGLZCDVZZBJ-IRXDYDNUSA-N 1 1 367.449 1.081 20 30 FDEDMO C[C@@H]1C[C@]2(CCO1)C[N@H+](C[C@@H](O)COc1ccccc1C#N)C[C@H](C)O2 ZINC000528492013 829432497 /nfs/dbraw/zinc/43/24/97/829432497.db2.gz WOOMKSBIHNYLLV-YNVMFWSZSA-N 1 1 360.454 1.956 20 30 FDEDMO CC(C)(C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1)C(N)=O ZINC000528519573 829435602 /nfs/dbraw/zinc/43/56/02/829435602.db2.gz UNLWTJRQKWBUIP-RDJZCZTQSA-N 1 1 359.470 1.912 20 30 FDEDMO N#Cc1ccc(O[C@H]2CC[N@H+](C[C@H](O)COc3ccccc3C#N)C2)nc1 ZINC000528504533 829437810 /nfs/dbraw/zinc/43/78/10/829437810.db2.gz BPTFMMDDWKWZRO-ROUUACIJSA-N 1 1 364.405 1.718 20 30 FDEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)cc1 ZINC000528641564 829481468 /nfs/dbraw/zinc/48/14/68/829481468.db2.gz ULTBPWUCDKTUCS-MOPGFXCFSA-N 1 1 374.481 1.746 20 30 FDEDMO C=C(C)C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1 ZINC000985825101 829771516 /nfs/dbraw/zinc/77/15/16/829771516.db2.gz CEQYTPIIMGLCHK-ZWKOTPCHSA-N 1 1 360.502 1.490 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001088455661 830387250 /nfs/dbraw/zinc/38/72/50/830387250.db2.gz BYFSFJSTESKBMF-CJNGLKHVSA-N 1 1 367.409 1.477 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088455682 830388644 /nfs/dbraw/zinc/38/86/44/830388644.db2.gz CWMSVUXCKDYYBT-ABAIWWIYSA-N 1 1 355.373 1.586 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088455682 830388651 /nfs/dbraw/zinc/38/86/51/830388651.db2.gz CWMSVUXCKDYYBT-ABAIWWIYSA-N 1 1 355.373 1.586 20 30 FDEDMO CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000451944138 830472473 /nfs/dbraw/zinc/47/24/73/830472473.db2.gz GEUCQHMRTKSRNW-HZPDHXFCSA-N 1 1 355.398 1.076 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C(C)=C3CCC3)C[C@@H]2C1 ZINC000986073006 830525521 /nfs/dbraw/zinc/52/55/21/830525521.db2.gz CKYZQIOPUDANFI-AABGKKOBSA-N 1 1 369.509 1.891 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C(C)=C3CCC3)C[C@@H]2C1 ZINC000986073006 830525525 /nfs/dbraw/zinc/52/55/25/830525525.db2.gz CKYZQIOPUDANFI-AABGKKOBSA-N 1 1 369.509 1.891 20 30 FDEDMO CO[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@@H](C)SC ZINC001211909223 830880840 /nfs/dbraw/zinc/88/08/40/830880840.db2.gz QTCHMDWFKPJQNI-KBRIMQKVSA-N 1 1 363.483 1.656 20 30 FDEDMO CO[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@@H](C)SC ZINC001211909223 830880849 /nfs/dbraw/zinc/88/08/49/830880849.db2.gz QTCHMDWFKPJQNI-KBRIMQKVSA-N 1 1 363.483 1.656 20 30 FDEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCCc4n[nH]cc43)[C@@H](O)C2)c1 ZINC001083462210 837502698 /nfs/dbraw/zinc/50/26/98/837502698.db2.gz ZODDBVWXORNYHM-IPELMVKDSA-N 1 1 365.437 1.063 20 30 FDEDMO Cc1nc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1C#N ZINC000453571847 830954087 /nfs/dbraw/zinc/95/40/87/830954087.db2.gz GCDPWTCLJJJSPW-HNNXBMFYSA-N 1 1 367.409 1.747 20 30 FDEDMO C[N@@H+](CCNC(=O)C(=O)Nc1cccc(CC#N)c1)Cc1ccccc1 ZINC000453612337 830968292 /nfs/dbraw/zinc/96/82/92/830968292.db2.gz AYNONNFDZIXSBF-UHFFFAOYSA-N 1 1 350.422 1.939 20 30 FDEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCCc4n[nH]cc43)[C@@H](O)C2)c1 ZINC001083462210 837502692 /nfs/dbraw/zinc/50/26/92/837502692.db2.gz ZODDBVWXORNYHM-IPELMVKDSA-N 1 1 365.437 1.063 20 30 FDEDMO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000532355302 831157110 /nfs/dbraw/zinc/15/71/10/831157110.db2.gz CJDLMNJCHRICGJ-UHFFFAOYSA-N 1 1 373.379 1.033 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3cc(C)on3)CC[C@@H]2C1 ZINC000986307821 831462451 /nfs/dbraw/zinc/46/24/51/831462451.db2.gz CXKYILJPIXXGGN-RYRKJORJSA-N 1 1 370.453 1.001 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3cc(C)on3)CC[C@@H]2C1 ZINC000986307821 831462458 /nfs/dbraw/zinc/46/24/58/831462458.db2.gz CXKYILJPIXXGGN-RYRKJORJSA-N 1 1 370.453 1.001 20 30 FDEDMO C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC[C@@H]2C1 ZINC000986368216 831562299 /nfs/dbraw/zinc/56/22/99/831562299.db2.gz YVJLJYHRLYLBGD-VKJFTORMSA-N 1 1 369.469 1.291 20 30 FDEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000986888766 832289807 /nfs/dbraw/zinc/28/98/07/832289807.db2.gz HBVSAKLCUUZNIP-CKEIUWERSA-N 1 1 371.485 1.583 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1C[C@H](O)c1ccccc1F ZINC001088511602 832324228 /nfs/dbraw/zinc/32/42/28/832324228.db2.gz VADQYZIKFSCYMI-PUECVXPYSA-N 1 1 356.401 1.952 20 30 FDEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000453932807 832355675 /nfs/dbraw/zinc/35/56/75/832355675.db2.gz PFIHRHXKFFTENQ-GOEBONIOSA-N 1 1 356.426 1.446 20 30 FDEDMO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C)n1cncn1 ZINC001088530928 832480041 /nfs/dbraw/zinc/48/00/41/832480041.db2.gz PZRMYUAOVZLXIU-IGCXYCKISA-N 1 1 356.405 1.629 20 30 FDEDMO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C)n1cncn1 ZINC001088530928 832480046 /nfs/dbraw/zinc/48/00/46/832480046.db2.gz PZRMYUAOVZLXIU-IGCXYCKISA-N 1 1 356.405 1.629 20 30 FDEDMO C[C@@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C)n1cncn1 ZINC001088531195 832481215 /nfs/dbraw/zinc/48/12/15/832481215.db2.gz ZUBRLZOHPJGAQW-VKJFTORMSA-N 1 1 355.417 1.609 20 30 FDEDMO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C)n1cncn1 ZINC001088531195 832481221 /nfs/dbraw/zinc/48/12/21/832481221.db2.gz ZUBRLZOHPJGAQW-VKJFTORMSA-N 1 1 355.417 1.609 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1C[C@@H](O)Cc1ccc(F)cc1 ZINC001088533982 832490037 /nfs/dbraw/zinc/49/00/37/832490037.db2.gz UQXQDXRINKAWEW-VMDGZTHMSA-N 1 1 370.428 1.822 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1C[C@@H]1COc2ccccc2O1 ZINC001088533805 832490099 /nfs/dbraw/zinc/49/00/99/832490099.db2.gz KIAVXHINFNVRAB-XYPHTWIQSA-N 1 1 366.421 1.919 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001059821657 833556901 /nfs/dbraw/zinc/55/69/01/833556901.db2.gz ZBJSQCXUCBEOSX-JQHSSLGASA-N 1 1 363.502 1.417 20 30 FDEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC000988861640 837682217 /nfs/dbraw/zinc/68/22/17/837682217.db2.gz WMHVERBZMBORQY-UWWQBHOKSA-N 1 1 371.485 1.726 20 30 FDEDMO CC[NH+]1CCN(C(=O)Cc2noc(C3(c4cccc(C#N)c4)CC3)n2)CC1 ZINC000350721348 833689399 /nfs/dbraw/zinc/68/93/99/833689399.db2.gz HRMJXSYLHYMHGD-UHFFFAOYSA-N 1 1 365.437 1.728 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000987918882 833782642 /nfs/dbraw/zinc/78/26/42/833782642.db2.gz HFGVAKNGTPNOTP-QILLFSRXSA-N 1 1 371.485 1.537 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000988284832 834309020 /nfs/dbraw/zinc/30/90/20/834309020.db2.gz VYNOTRKNFROAJX-VKZRIFJHSA-N 1 1 360.458 1.278 20 30 FDEDMO COc1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@@H]2C)ncn1 ZINC001088571005 834843595 /nfs/dbraw/zinc/84/35/95/834843595.db2.gz BCKRXJPBLSFEND-WBVHZDCISA-N 1 1 350.422 1.730 20 30 FDEDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@@H]2C)ncn1 ZINC001088571005 834843611 /nfs/dbraw/zinc/84/36/11/834843611.db2.gz BCKRXJPBLSFEND-WBVHZDCISA-N 1 1 350.422 1.730 20 30 FDEDMO CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NCC(C)(C)CC#N)CC2)C1 ZINC000459262021 834900418 /nfs/dbraw/zinc/90/04/18/834900418.db2.gz SYWVWGBWQLKNRN-QGZVFWFLSA-N 1 1 365.522 1.363 20 30 FDEDMO C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000897486331 835233708 /nfs/dbraw/zinc/23/37/08/835233708.db2.gz NTFLFLFRWWRAJZ-HUUCEWRRSA-N 1 1 357.462 1.053 20 30 FDEDMO C=CCC[C@H](CO)NC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000454346359 835398506 /nfs/dbraw/zinc/39/85/06/835398506.db2.gz XRTTVNHQCWMFAJ-IAGOWNOFSA-N 1 1 360.458 1.585 20 30 FDEDMO C=CCC[C@H](CO)NC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000454346359 835398542 /nfs/dbraw/zinc/39/85/42/835398542.db2.gz XRTTVNHQCWMFAJ-IAGOWNOFSA-N 1 1 360.458 1.585 20 30 FDEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC000988492527 835539111 /nfs/dbraw/zinc/53/91/11/835539111.db2.gz HDPYSDQANSSICI-UKPHBRMFSA-N 1 1 357.458 1.480 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)nc(C)c3)[C@H]2C)C1=O ZINC001088593579 835691030 /nfs/dbraw/zinc/69/10/30/835691030.db2.gz OCZCDBSLCHFRIX-BPQIPLTHSA-N 1 1 356.470 1.678 20 30 FDEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C)nc(C)c3)[C@H]2C)C1=O ZINC001088593579 835691035 /nfs/dbraw/zinc/69/10/35/835691035.db2.gz OCZCDBSLCHFRIX-BPQIPLTHSA-N 1 1 356.470 1.678 20 30 FDEDMO C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H]1C ZINC000988628402 836298959 /nfs/dbraw/zinc/29/89/59/836298959.db2.gz IRPPPXXERGPCAM-XLMAVXFVSA-N 1 1 374.485 1.112 20 30 FDEDMO C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H]1C ZINC000988628402 836298964 /nfs/dbraw/zinc/29/89/64/836298964.db2.gz IRPPPXXERGPCAM-XLMAVXFVSA-N 1 1 374.485 1.112 20 30 FDEDMO C=CCCC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)OCCO3)C[C@H]1OC ZINC001212022502 836299285 /nfs/dbraw/zinc/29/92/85/836299285.db2.gz UVGSIUMQHVJSAH-VQIMIIECSA-N 1 1 360.454 1.782 20 30 FDEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+](CCc2ccc(F)c(F)c2)C[C@H]1OC ZINC001212032099 836345134 /nfs/dbraw/zinc/34/51/34/836345134.db2.gz 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C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc3occc3[nH]2)n[nH]1 ZINC001130216370 938752741 /nfs/dbraw/zinc/75/27/41/938752741.db2.gz UYSIIXIPYPGRIF-NHYWBVRUSA-N 1 1 370.413 1.457 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)c(C)o2)[nH]1 ZINC001130200567 938754594 /nfs/dbraw/zinc/75/45/94/938754594.db2.gz QNFXSPNIIURLQV-HOCLYGCPSA-N 1 1 371.441 1.430 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(F)CCCC2)n1 ZINC001130221107 938756635 /nfs/dbraw/zinc/75/66/35/938756635.db2.gz VDLLMLCIRQQKPD-KBPBESRZSA-N 1 1 363.437 1.189 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(F)CCCC2)n[nH]1 ZINC001130221107 938756636 /nfs/dbraw/zinc/75/66/36/938756636.db2.gz VDLLMLCIRQQKPD-KBPBESRZSA-N 1 1 363.437 1.189 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]23C[C@H]2CCC3)n1 ZINC001130227612 938761260 /nfs/dbraw/zinc/76/12/60/938761260.db2.gz GXBYHKLNLROQMC-MMMWYMCRSA-N 1 1 357.458 1.097 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@]23C[C@H]2CCC3)n[nH]1 ZINC001130227612 938761261 /nfs/dbraw/zinc/76/12/61/938761261.db2.gz GXBYHKLNLROQMC-MMMWYMCRSA-N 1 1 357.458 1.097 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)CC(=C)C)n1 ZINC001130232370 938765058 /nfs/dbraw/zinc/76/50/58/938765058.db2.gz FKEREPXZAXWFND-PMPSAXMXSA-N 1 1 359.474 1.509 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)CC(=C)C)n[nH]1 ZINC001130232370 938765061 /nfs/dbraw/zinc/76/50/61/938765061.db2.gz FKEREPXZAXWFND-PMPSAXMXSA-N 1 1 359.474 1.509 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C)CC(=C)C2)n1 ZINC001130235180 938766598 /nfs/dbraw/zinc/76/65/98/938766598.db2.gz WZKWQCOXIGYPTK-GJZGRUSLSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(C)CC(=C)C2)n[nH]1 ZINC001130235180 938766599 /nfs/dbraw/zinc/76/65/99/938766599.db2.gz WZKWQCOXIGYPTK-GJZGRUSLSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C)CC(F)(F)C2)n1 ZINC001130249249 938773531 /nfs/dbraw/zinc/77/35/31/938773531.db2.gz SCISKMACVXCCJZ-RYUDHWBXSA-N 1 1 369.416 1.504 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(C)CC(F)(F)C2)n[nH]1 ZINC001130249249 938773532 /nfs/dbraw/zinc/77/35/32/938773532.db2.gz SCISKMACVXCCJZ-RYUDHWBXSA-N 1 1 369.416 1.504 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H](C)C2CC2)n1 ZINC001130251235 938774669 /nfs/dbraw/zinc/77/46/69/938774669.db2.gz JIIUKZLLFPWDMS-KBMXLJTQSA-N 1 1 359.474 1.343 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H](C)C2CC2)n[nH]1 ZINC001130251235 938774671 /nfs/dbraw/zinc/77/46/71/938774671.db2.gz JIIUKZLLFPWDMS-KBMXLJTQSA-N 1 1 359.474 1.343 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCCOC(C)C)n1 ZINC001130253744 938775483 /nfs/dbraw/zinc/77/54/83/938775483.db2.gz NPTPZORLMGUGBN-GJZGRUSLSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCCOC(C)C)n[nH]1 ZINC001130253744 938775485 /nfs/dbraw/zinc/77/54/85/938775485.db2.gz NPTPZORLMGUGBN-GJZGRUSLSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCOCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001130422912 938843811 /nfs/dbraw/zinc/84/38/11/938843811.db2.gz CUWRUGNTELMJPR-BFYDXBDKSA-N 1 1 362.474 1.585 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCCC(C)=O)C[C@H]1c1cn(C)cn1 ZINC001130505655 938886450 /nfs/dbraw/zinc/88/64/50/938886450.db2.gz AZLNWVBRWYYKAT-GOEBONIOSA-N 1 1 352.866 1.816 20 30 FDEDMO C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3c[nH]nc32)C[C@H]1c1cn(C)cn1 ZINC001130637649 939939451 /nfs/dbraw/zinc/93/94/51/939939451.db2.gz DYRPLTAHIAUYKB-FUHWJXTLSA-N 1 1 362.437 1.518 20 30 FDEDMO C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(CCC)[nH]n2)C[C@H]1c1cn(C)cn1 ZINC001130637973 939940269 /nfs/dbraw/zinc/94/02/69/939940269.db2.gz UWDNXFILTKREQS-MAUKXSAKSA-N 1 1 354.458 1.317 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130687840 939977932 /nfs/dbraw/zinc/97/79/32/939977932.db2.gz SUIMVBSYODRURO-DFQSSKMNSA-N 1 1 371.529 1.590 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130687840 939977933 /nfs/dbraw/zinc/97/79/33/939977933.db2.gz SUIMVBSYODRURO-DFQSSKMNSA-N 1 1 371.529 1.590 20 30 FDEDMO C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130709718 939997737 /nfs/dbraw/zinc/99/77/37/939997737.db2.gz CIAIEMIMLRHNQT-DOTOQJQBSA-N 1 1 371.489 1.411 20 30 FDEDMO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130710441 939998329 /nfs/dbraw/zinc/99/83/29/939998329.db2.gz WNBIHWOXDVXKSV-OFQRWUPVSA-N 1 1 357.462 1.020 20 30 FDEDMO C=CCCOCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=C)Cl)C1 ZINC001130739603 940040986 /nfs/dbraw/zinc/04/09/86/940040986.db2.gz GYFQSMYJOLQANQ-GOEBONIOSA-N 1 1 352.866 1.649 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C=Cc3ccco3)n[nH]2)O1 ZINC001130746578 940051461 /nfs/dbraw/zinc/05/14/61/940051461.db2.gz GECYWWZODMGZEW-KBUFDJFCSA-N 1 1 369.425 1.560 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccccc3F)n[nH]2)O1 ZINC001130746911 940052463 /nfs/dbraw/zinc/05/24/63/940052463.db2.gz MYBLIAAPBAAOPJ-SWLSCSKDSA-N 1 1 357.389 1.317 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)on3)n[nH]2)O1 ZINC001130758368 940084162 /nfs/dbraw/zinc/08/41/62/940084162.db2.gz ZHMMUYPCUVXKKR-GXTWGEPZSA-N 1 1 360.418 1.417 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CCCCO3)n[nH]2)O1 ZINC001130775410 940092773 /nfs/dbraw/zinc/09/27/73/940092773.db2.gz UYXOZHGKUQFZQR-RRFJBIMHSA-N 1 1 363.462 1.376 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ncoc3C)n[nH]2)O1 ZINC001130765492 940096211 /nfs/dbraw/zinc/09/62/11/940096211.db2.gz VCNQTXFWGNEGKL-QWHCGFSZSA-N 1 1 360.418 1.417 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H]3CCCO3)n[nH]2)O1 ZINC001130765442 940096514 /nfs/dbraw/zinc/09/65/14/940096514.db2.gz SWFJPUCYMVGFIK-QLFBSQMISA-N 1 1 363.462 1.376 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COC3CCCC3)n[nH]2)O1 ZINC001130767187 940100087 /nfs/dbraw/zinc/10/00/87/940100087.db2.gz BOSBWKGLJYKEBP-LSDHHAIUSA-N 1 1 363.462 1.376 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCCOCC)n[nH]2)O1 ZINC001130767387 940100467 /nfs/dbraw/zinc/10/04/67/940100467.db2.gz HAYUZJXOYAPGGR-LSDHHAIUSA-N 1 1 363.462 1.071 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H]3CCOC3)n[nH]2)O1 ZINC001130769298 940105820 /nfs/dbraw/zinc/10/58/20/940105820.db2.gz BODZKELRLTXKKU-QLFBSQMISA-N 1 1 363.462 1.233 20 30 FDEDMO CC[C@H](C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C#CC3CC3)n[nH]2)O1 ZINC001130785041 940119434 /nfs/dbraw/zinc/11/94/34/940119434.db2.gz BRJMELLPXWFRKA-CWRNSKLLSA-N 1 1 359.474 1.690 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COCCCC)n[nH]2)O1 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/nfs/dbraw/zinc/14/90/65/940149065.db2.gz GWBODRNCEUTRSX-SOUVJXGZSA-N 1 1 365.478 1.215 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3C=CC=CC=C3)n[nH]2)O1 ZINC001130787490 940156739 /nfs/dbraw/zinc/15/67/39/940156739.db2.gz UZTSSVMNIKVLHU-JKSUJKDBSA-N 1 1 355.442 1.715 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CCC3(F)F)n[nH]2)O1 ZINC001130787572 940157212 /nfs/dbraw/zinc/15/72/12/940157212.db2.gz ZEBBBCPNGYAHRT-RWMBFGLXSA-N 1 1 369.416 1.852 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)cc(C)n3)n[nH]2)O1 ZINC001130790265 940163269 /nfs/dbraw/zinc/16/32/69/940163269.db2.gz PSGXJLYEGZECFY-GOEBONIOSA-N 1 1 368.441 1.189 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](CC)CC(F)F)n[nH]2)O1 ZINC001130790392 940164121 /nfs/dbraw/zinc/16/41/21/940164121.db2.gz XZGWZWJMYAHMFQ-RWMBFGLXSA-N 1 1 369.416 1.545 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(C)(C)COC)n[nH]2)O1 ZINC001130792485 940171054 /nfs/dbraw/zinc/17/10/54/940171054.db2.gz 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COc1ccccc1C[N@@H+](CCO)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000103143939 172361090 /nfs/dbraw/zinc/36/10/90/172361090.db2.gz RSOQUHQMESTYLS-GOSISDBHSA-N 1 1 356.422 1.801 20 30 FDEDMO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000104067722 172374420 /nfs/dbraw/zinc/37/44/20/172374420.db2.gz MVWTVUOIJLUEMO-RDTXWAMCSA-N 1 1 369.469 1.299 20 30 FDEDMO N#Cc1cccc(OC2CCN(C(=O)NCCC[NH+]3CCOCC3)CC2)c1 ZINC000105069954 172394264 /nfs/dbraw/zinc/39/42/64/172394264.db2.gz GJADDTZAPOPHIL-UHFFFAOYSA-N 1 1 372.469 1.833 20 30 FDEDMO Cc1cc(N2CCC(NS(=O)(=O)c3ccccc3C#N)CC2)nc(C)[nH+]1 ZINC000125641318 173013541 /nfs/dbraw/zinc/01/35/41/173013541.db2.gz KMUVMQHZEZNOJQ-UHFFFAOYSA-N 1 1 371.466 1.912 20 30 FDEDMO COCCC[N@@H+](CCCOc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000126966212 173061018 /nfs/dbraw/zinc/06/10/18/173061018.db2.gz KXEAFDNBRZDKLE-KRWDZBQOSA-N 1 1 366.483 1.853 20 30 FDEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCN(c3ncccc3C#N)CC2)C1 ZINC000127068910 173064082 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CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000179196904 258345620 /nfs/dbraw/zinc/34/56/20/258345620.db2.gz ZDLLMONDGZRWFX-UHFFFAOYSA-N 1 1 351.472 1.861 20 30 FDEDMO CC1([C@H]2CCC[N@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)OCCO1 ZINC000183840901 258380607 /nfs/dbraw/zinc/38/06/07/258380607.db2.gz NSHYXTQRCPEAIZ-INIZCTEOSA-N 1 1 364.467 1.807 20 30 FDEDMO CC1([C@H]2CCC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)OCCO1 ZINC000183840901 258380608 /nfs/dbraw/zinc/38/06/08/258380608.db2.gz NSHYXTQRCPEAIZ-INIZCTEOSA-N 1 1 364.467 1.807 20 30 FDEDMO N#Cc1ccc([C@@H]([NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)C(N)=O)cc1 ZINC000554683983 543852416 /nfs/dbraw/zinc/85/24/16/543852416.db2.gz GQNSLYSWWASGML-ZWKOTPCHSA-N 1 1 363.421 1.981 20 30 FDEDMO Cc1nsc(N2CCN(C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)c1C#N ZINC000555144356 543918081 /nfs/dbraw/zinc/91/80/81/543918081.db2.gz JRTOSOCXAKNVAJ-JKSUJKDBSA-N 1 1 374.514 1.782 20 30 FDEDMO Cc1nsc(N2CCN(C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)c1C#N ZINC000555144352 543918385 /nfs/dbraw/zinc/91/83/85/543918385.db2.gz JRTOSOCXAKNVAJ-HOTGVXAUSA-N 1 1 374.514 1.782 20 30 FDEDMO C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000555194506 543924056 /nfs/dbraw/zinc/92/40/56/543924056.db2.gz NMCGGTQIWGZPJW-INIZCTEOSA-N 1 1 358.490 1.763 20 30 FDEDMO C[C@@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000555535016 543967157 /nfs/dbraw/zinc/96/71/57/543967157.db2.gz DYMAIUISFWBOKD-SJORKVTESA-N 1 1 370.501 1.905 20 30 FDEDMO CN1CC[N@@H+](CCCNC(=O)NCC2(C#N)CC2)[C@@H](c2ccccc2)C1 ZINC000555680330 544004054 /nfs/dbraw/zinc/00/40/54/544004054.db2.gz WWODURMBZXHYLG-GOSISDBHSA-N 1 1 355.486 1.968 20 30 FDEDMO C[N@@H+]1CCN(CCCNC(=O)NCC2(C#N)CC2)[C@@H](c2ccccc2)C1 ZINC000555680330 544004056 /nfs/dbraw/zinc/00/40/56/544004056.db2.gz WWODURMBZXHYLG-GOSISDBHSA-N 1 1 355.486 1.968 20 30 FDEDMO C[N@H+]1CCN(CCCNC(=O)NCC2(C#N)CC2)[C@@H](c2ccccc2)C1 ZINC000555680330 544004057 /nfs/dbraw/zinc/00/40/57/544004057.db2.gz WWODURMBZXHYLG-GOSISDBHSA-N 1 1 355.486 1.968 20 30 FDEDMO CCN(CCC#N)S(=O)(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000556393980 544140196 /nfs/dbraw/zinc/14/01/96/544140196.db2.gz QCEUYPDFPVOOIO-KRWDZBQOSA-N 1 1 350.488 1.325 20 30 FDEDMO CCN(CCC#N)S(=O)(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000556393980 544140199 /nfs/dbraw/zinc/14/01/99/544140199.db2.gz QCEUYPDFPVOOIO-KRWDZBQOSA-N 1 1 350.488 1.325 20 30 FDEDMO Cc1cc(C#N)cnc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000556692166 544176760 /nfs/dbraw/zinc/17/67/60/544176760.db2.gz GDXWIDASPCEPEG-RTBURBONSA-N 1 1 364.449 1.875 20 30 FDEDMO C=C(C)CN(CC)C(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000557335379 544280020 /nfs/dbraw/zinc/28/00/20/544280020.db2.gz SPXPOAKOPVFAJT-GOSISDBHSA-N 1 1 372.513 1.738 20 30 FDEDMO CC[NH+](CC)[C@H](C(=O)NCC(=O)NCC#N)c1cccc(C(F)(F)F)c1 ZINC000557784967 544346483 /nfs/dbraw/zinc/34/64/83/544346483.db2.gz ZHNAHGLQHXQNNW-HNNXBMFYSA-N 1 1 370.375 1.844 20 30 FDEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000558211353 544400531 /nfs/dbraw/zinc/40/05/31/544400531.db2.gz ZHMOXVQHONPUIB-CRAIPNDOSA-N 1 1 356.470 1.896 20 30 FDEDMO N#Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3COC[C@H](C2)O3)sc2c1CCCC2 ZINC000558746592 544523555 /nfs/dbraw/zinc/52/35/55/544523555.db2.gz WTANOHBNXWAWCN-BETUJISGSA-N 1 1 361.467 1.927 20 30 FDEDMO N#Cc1c(NC(=O)CC[N@H+]2C[C@@H]3COC[C@H](C2)O3)sc2c1CCCC2 ZINC000558746592 544523560 /nfs/dbraw/zinc/52/35/60/544523560.db2.gz WTANOHBNXWAWCN-BETUJISGSA-N 1 1 361.467 1.927 20 30 FDEDMO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000560176678 544905142 /nfs/dbraw/zinc/90/51/42/544905142.db2.gz HLEZDMWQTLVHFQ-INIZCTEOSA-N 1 1 363.483 1.713 20 30 FDEDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000560176678 544905144 /nfs/dbraw/zinc/90/51/44/544905144.db2.gz HLEZDMWQTLVHFQ-INIZCTEOSA-N 1 1 363.483 1.713 20 30 FDEDMO COc1cc(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)ccc1C#N ZINC000289114499 258799235 /nfs/dbraw/zinc/79/92/35/258799235.db2.gz DBPYXHRSFUDIEI-HNNXBMFYSA-N 1 1 351.472 1.670 20 30 FDEDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000294363867 258926200 /nfs/dbraw/zinc/92/62/00/258926200.db2.gz VBTCEMVOXMWXOC-UHFFFAOYSA-N 1 1 371.407 1.928 20 30 FDEDMO CN(CCCN(C)C(=O)c1cnc(C(F)(F)F)c(C#N)c1)CC[NH+](C)C ZINC000294363867 258926201 /nfs/dbraw/zinc/92/62/01/258926201.db2.gz VBTCEMVOXMWXOC-UHFFFAOYSA-N 1 1 371.407 1.928 20 30 FDEDMO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C)C[C@@H]1[NH+]1CCOCC1 ZINC000328699997 259054015 /nfs/dbraw/zinc/05/40/15/259054015.db2.gz ILFWISAIIACRAF-YOEHRIQHSA-N 1 1 352.442 1.511 20 30 FDEDMO Cc1ncc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C#N ZINC000330197374 259132767 /nfs/dbraw/zinc/13/27/67/259132767.db2.gz RSLWJVZQZUTUID-RDTXWAMCSA-N 1 1 360.483 1.899 20 30 FDEDMO CC[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC[N@@H+]1C[C@H](C)O ZINC000330917587 259169162 /nfs/dbraw/zinc/16/91/62/259169162.db2.gz WMVWAKPXTIXUSH-SUMWQHHRSA-N 1 1 369.462 1.304 20 30 FDEDMO CC[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC[N@H+]1C[C@H](C)O ZINC000330917587 259169163 /nfs/dbraw/zinc/16/91/63/259169163.db2.gz WMVWAKPXTIXUSH-SUMWQHHRSA-N 1 1 369.462 1.304 20 30 FDEDMO C[N@@H+](CC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCSC1 ZINC000331859365 259224961 /nfs/dbraw/zinc/22/49/61/259224961.db2.gz YEOVXROTZQGXLD-SFHVURJKSA-N 1 1 358.511 1.640 20 30 FDEDMO Cc1onc(CC(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1C#N ZINC000331905457 259227723 /nfs/dbraw/zinc/22/77/23/259227723.db2.gz WYAYHFLZOVXOFP-UHFFFAOYSA-N 1 1 354.414 1.589 20 30 FDEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C(C)(C)C3)CC2)o1 ZINC000332309728 259256304 /nfs/dbraw/zinc/25/63/04/259256304.db2.gz NUDDMSJSOVAZIE-CQSZACIVSA-N 1 1 359.474 1.871 20 30 FDEDMO Cc1nc(C#N)c(C#N)n1CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000332333143 259258510 /nfs/dbraw/zinc/25/85/10/259258510.db2.gz ZJEPFICCXPVWQY-UHFFFAOYSA-N 1 1 362.437 1.588 20 30 FDEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H](C)CC(C)(C)C3)CC2)o1 ZINC000332411984 259265023 /nfs/dbraw/zinc/26/50/23/259265023.db2.gz RSPPFTKVJJDWSO-CQSZACIVSA-N 1 1 359.474 1.871 20 30 FDEDMO N#Cc1cc(F)ccc1CS(=O)(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000332508181 259272121 /nfs/dbraw/zinc/27/21/21/259272121.db2.gz LGYFCZVZHFWLEG-AWEZNQCLSA-N 1 1 367.446 1.181 20 30 FDEDMO C[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]1N1CCOCC1 ZINC000333092080 259308279 /nfs/dbraw/zinc/30/82/79/259308279.db2.gz ZQSQYDOTFHDREK-PBHICJAKSA-N 1 1 353.426 1.761 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]1N1CCOCC1 ZINC000333092080 259308281 /nfs/dbraw/zinc/30/82/81/259308281.db2.gz ZQSQYDOTFHDREK-PBHICJAKSA-N 1 1 353.426 1.761 20 30 FDEDMO N#Cc1cc(S(=O)(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)ccc1F ZINC000360231873 259428808 /nfs/dbraw/zinc/42/88/08/259428808.db2.gz ZXKXIACBHTUWTC-DYVFJYSZSA-N 1 1 367.446 1.477 20 30 FDEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000362901870 259509995 /nfs/dbraw/zinc/50/99/95/259509995.db2.gz OZFGCGVKTIZDFC-KBXCAEBGSA-N 1 1 370.453 1.266 20 30 FDEDMO Cn1cc(C[C@H]2CC[N@H+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cn1 ZINC000363586039 259623446 /nfs/dbraw/zinc/62/34/46/259623446.db2.gz KSOWRVIVNVNJCY-CRAIPNDOSA-N 1 1 363.421 1.488 20 30 FDEDMO N#Cc1ncn(CCNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000367426363 260039715 /nfs/dbraw/zinc/03/97/15/260039715.db2.gz NTGNETRPSSTMKN-HNNXBMFYSA-N 1 1 356.405 1.317 20 30 FDEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@]4(C3)CCCOC4)CC2)o1 ZINC000367450729 260043876 /nfs/dbraw/zinc/04/38/76/260043876.db2.gz PGQBQHNNDBIGIH-LJQANCHMSA-N 1 1 373.457 1.006 20 30 FDEDMO CN(C1CC[NH+](Cc2ccncc2)CC1)S(=O)(=O)c1ccc(C#N)o1 ZINC000367749004 260085658 /nfs/dbraw/zinc/08/56/58/260085658.db2.gz JDCUPSGBGOYCGH-UHFFFAOYSA-N 1 1 360.439 1.831 20 30 FDEDMO C[NH+]1CCN(CC2(C)CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)CC1 ZINC000367873456 260104190 /nfs/dbraw/zinc/10/41/90/260104190.db2.gz GFZPWLGIFRFVEH-UHFFFAOYSA-N 1 1 366.487 1.189 20 30 FDEDMO COCC[C@@H]1CCCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000367988674 260119057 /nfs/dbraw/zinc/11/90/57/260119057.db2.gz LZUOSYIDUCDVRH-HNNXBMFYSA-N 1 1 351.472 1.866 20 30 FDEDMO COCC[C@@H]1CCCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000367988674 260119059 /nfs/dbraw/zinc/11/90/59/260119059.db2.gz LZUOSYIDUCDVRH-HNNXBMFYSA-N 1 1 351.472 1.866 20 30 FDEDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000368664071 260216657 /nfs/dbraw/zinc/21/66/57/260216657.db2.gz UDOITTNPMYCDHB-RTBURBONSA-N 1 1 354.454 1.650 20 30 FDEDMO N#Cc1cccc(NC(=O)C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1 ZINC000369283192 260333338 /nfs/dbraw/zinc/33/33/38/260333338.db2.gz MPGUBRKKFGFHCM-UHFFFAOYSA-N 1 1 350.426 1.914 20 30 FDEDMO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)ccc1C#N ZINC000369305538 260336488 /nfs/dbraw/zinc/33/64/88/260336488.db2.gz LLMWLLHCJGVTRM-WMZOPIPTSA-N 1 1 363.483 1.646 20 30 FDEDMO CC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@]2(CCCOC2)O1 ZINC000369533570 260386195 /nfs/dbraw/zinc/38/61/95/260386195.db2.gz UABZJCONSVBMJU-QWFCFKBJSA-N 1 1 360.454 1.958 20 30 FDEDMO CC1(C)C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@]2(CCCOC2)O1 ZINC000373788876 261040756 /nfs/dbraw/zinc/04/07/56/261040756.db2.gz BRZSAELIYJZFKY-YLJYHZDGSA-N 1 1 360.454 1.958 20 30 FDEDMO N#Cc1ccc(S(=O)(=O)N2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000373815790 261043978 /nfs/dbraw/zinc/04/39/78/261043978.db2.gz RPSRPBJCMMTRBB-UHFFFAOYSA-N 1 1 355.485 1.353 20 30 FDEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCCC[C@H](CO)C1 ZINC000374039722 261068634 /nfs/dbraw/zinc/06/86/34/261068634.db2.gz RTHWNYGFHBRYJO-HNNXBMFYSA-N 1 1 353.426 1.777 20 30 FDEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCCC[C@H](CO)C1 ZINC000374039722 261068635 /nfs/dbraw/zinc/06/86/35/261068635.db2.gz RTHWNYGFHBRYJO-HNNXBMFYSA-N 1 1 353.426 1.777 20 30 FDEDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)NCCc3cccc(C#N)c3)CC2)C1 ZINC000374277005 261103040 /nfs/dbraw/zinc/10/30/40/261103040.db2.gz HPTIAEHMVFTDIA-IBGZPJMESA-N 1 1 355.486 1.522 20 30 FDEDMO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374308119 261108147 /nfs/dbraw/zinc/10/81/47/261108147.db2.gz IZGQDAHOCZJQIK-HNNXBMFYSA-N 1 1 366.465 1.773 20 30 FDEDMO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374308119 261108149 /nfs/dbraw/zinc/10/81/49/261108149.db2.gz IZGQDAHOCZJQIK-HNNXBMFYSA-N 1 1 366.465 1.773 20 30 FDEDMO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374310924 261108293 /nfs/dbraw/zinc/10/82/93/261108293.db2.gz QVLBEBQSPBCWAP-KXBFYZLASA-N 1 1 366.465 1.760 20 30 FDEDMO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374310924 261108296 /nfs/dbraw/zinc/10/82/96/261108296.db2.gz QVLBEBQSPBCWAP-KXBFYZLASA-N 1 1 366.465 1.760 20 30 FDEDMO C[C@@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 ZINC000408146344 262087446 /nfs/dbraw/zinc/08/74/46/262087446.db2.gz ZAXDYCNDLVPOHB-CVEARBPZSA-N 1 1 363.483 1.680 20 30 FDEDMO N#Cc1ccc(NCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)nc1 ZINC000497654367 490189669 /nfs/dbraw/zinc/18/96/69/490189669.db2.gz QKRFPRNCMNOWHE-UHFFFAOYSA-N 1 1 365.437 1.514 20 30 FDEDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)CNc2ccc(C#N)cn2)cc1 ZINC000497728850 490205030 /nfs/dbraw/zinc/20/50/30/490205030.db2.gz ZLNGGVKFRODJRD-UHFFFAOYSA-N 1 1 352.398 1.504 20 30 FDEDMO CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000513142243 490710742 /nfs/dbraw/zinc/71/07/42/490710742.db2.gz YUEMUBDXVPUIGK-UHFFFAOYSA-N 1 1 372.404 1.278 20 30 FDEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C[C@@H]1C ZINC000505047540 490817788 /nfs/dbraw/zinc/81/77/88/490817788.db2.gz GLNIDQOUROTSST-DZGCQCFKSA-N 1 1 360.462 1.375 20 30 FDEDMO Cc1cc(NC(=O)CC[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)no1 ZINC000530519394 490910087 /nfs/dbraw/zinc/91/00/87/490910087.db2.gz NNHXCHUTSRGNGX-UHFFFAOYSA-N 1 1 357.418 1.047 20 30 FDEDMO Cn1cc(C#N)c(NC(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)n1 ZINC000610560938 492251849 /nfs/dbraw/zinc/25/18/49/492251849.db2.gz BQKHDFLIAQTWED-AWEZNQCLSA-N 1 1 373.486 1.463 20 30 FDEDMO Cn1cc(C#N)c(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000610876849 492266001 /nfs/dbraw/zinc/26/60/01/492266001.db2.gz RLUHTCJHCVJYTL-DLBZAZTESA-N 1 1 368.441 1.296 20 30 FDEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)CC(=O)NC(C)C)c(OC)c1 ZINC000025299886 519052460 /nfs/dbraw/zinc/05/24/60/519052460.db2.gz DTYMGNRPVCAPPV-INIZCTEOSA-N 1 1 350.459 1.620 20 30 FDEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)CC(=O)NC(C)C)c(OC)c1 ZINC000025299886 519052469 /nfs/dbraw/zinc/05/24/69/519052469.db2.gz DTYMGNRPVCAPPV-INIZCTEOSA-N 1 1 350.459 1.620 20 30 FDEDMO C[C@H](C(=O)NC1CC1)N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000026342968 519117913 /nfs/dbraw/zinc/11/79/13/519117913.db2.gz LDNHBINKKHXQJQ-OAHLLOKOSA-N 1 1 369.469 1.172 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000028727258 519248167 /nfs/dbraw/zinc/24/81/67/519248167.db2.gz KYHMPFKUDIXVPP-CQSZACIVSA-N 1 1 351.472 1.527 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000028727258 519248173 /nfs/dbraw/zinc/24/81/73/519248173.db2.gz KYHMPFKUDIXVPP-CQSZACIVSA-N 1 1 351.472 1.527 20 30 FDEDMO CNC(=O)c1ccc(C[N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000029930995 519333524 /nfs/dbraw/zinc/33/35/24/519333524.db2.gz PWDDHGKFMMRPCG-SFHVURJKSA-N 1 1 353.422 1.790 20 30 FDEDMO C[NH+]1CCN(C(=O)[C@@H]2CCc3ccccc3N2C(=O)CSCC#N)CC1 ZINC000058547260 522276666 /nfs/dbraw/zinc/27/66/66/522276666.db2.gz VEEBEOXUYWUDNO-KRWDZBQOSA-N 1 1 372.494 1.365 20 30 FDEDMO CN(C)c1nc(C[N@@H+](C)[C@H]2CCN(c3ncccc3C#N)C2)cc(=O)[nH]1 ZINC000275854472 522333971 /nfs/dbraw/zinc/33/39/71/522333971.db2.gz XCWNZIDJNSKSLY-HNNXBMFYSA-N 1 1 353.430 1.226 20 30 FDEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000046862005 522370403 /nfs/dbraw/zinc/37/04/03/522370403.db2.gz IOHANGYZKFIEDI-HNNXBMFYSA-N 1 1 363.483 1.060 20 30 FDEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000072904607 522425401 /nfs/dbraw/zinc/42/54/01/522425401.db2.gz YTNPQAFHKUMAEB-MRXNPFEDSA-N 1 1 374.485 1.269 20 30 FDEDMO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000065638402 522854851 /nfs/dbraw/zinc/85/48/51/522854851.db2.gz HRTWDYZLMQMNOG-HNNXBMFYSA-N 1 1 358.442 1.742 20 30 FDEDMO Cc1noc(C)c1CN1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000065681446 522858999 /nfs/dbraw/zinc/85/89/99/522858999.db2.gz OHAQKOXMPYEKOB-GOSISDBHSA-N 1 1 370.453 1.721 20 30 FDEDMO N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000075200512 522891612 /nfs/dbraw/zinc/89/16/12/522891612.db2.gz UGGDNMDCWYMASE-GOSISDBHSA-N 1 1 354.454 1.669 20 30 FDEDMO C=CCNS(=O)(=O)c1ccc(C(=O)NCC[N@H+](C)[C@H](C)CC)cc1 ZINC000066127207 522962185 /nfs/dbraw/zinc/96/21/85/522962185.db2.gz BEOVETUFHOCNAO-CQSZACIVSA-N 1 1 353.488 1.611 20 30 FDEDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC000075972329 523002412 /nfs/dbraw/zinc/00/24/12/523002412.db2.gz VMGWIVJEPVCMAT-UHFFFAOYSA-N 1 1 355.442 1.576 20 30 FDEDMO C[C@@H](C(=O)N(C)CCC#N)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000066534338 523098715 /nfs/dbraw/zinc/09/87/15/523098715.db2.gz BWIHUIZUQHVPDP-IBGZPJMESA-N 1 1 371.529 1.497 20 30 FDEDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H](C)Oc2ccccc2C#N)CC1 ZINC000076485617 523122851 /nfs/dbraw/zinc/12/28/51/523122851.db2.gz KKLBYBYFDRDCRH-DLBZAZTESA-N 1 1 358.486 1.715 20 30 FDEDMO Cc1nnc(NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c(C#N)c1C ZINC000052242118 523143272 /nfs/dbraw/zinc/14/32/72/523143272.db2.gz URVDPQDYRONORZ-UHFFFAOYSA-N 1 1 364.453 1.965 20 30 FDEDMO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801478 523271235 /nfs/dbraw/zinc/27/12/35/523271235.db2.gz JUCYYWUKBVSUAY-UHFFFAOYSA-N 1 1 366.469 1.462 20 30 FDEDMO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801478 523271245 /nfs/dbraw/zinc/27/12/45/523271245.db2.gz JUCYYWUKBVSUAY-UHFFFAOYSA-N 1 1 366.469 1.462 20 30 FDEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCN(C(C)=O)CC2)c(OC)c1 ZINC000053457501 523437705 /nfs/dbraw/zinc/43/77/05/523437705.db2.gz XBXWOLCRPSPDFK-GOSISDBHSA-N 1 1 362.470 1.718 20 30 FDEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cn3cnc(C#N)n3)cc2)C1 ZINC000053620565 523476530 /nfs/dbraw/zinc/47/65/30/523476530.db2.gz LXZLPMKJECMPEE-HNNXBMFYSA-N 1 1 352.442 1.698 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000054183138 523587364 /nfs/dbraw/zinc/58/73/64/523587364.db2.gz PBHOLCDVHYUQRT-KBPBESRZSA-N 1 1 359.430 1.132 20 30 FDEDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)n1 ZINC000054203890 523593247 /nfs/dbraw/zinc/59/32/47/523593247.db2.gz SWWPRLKHCAIZMQ-QRWLVFNGSA-N 1 1 369.469 1.849 20 30 FDEDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)n1 ZINC000054203890 523593261 /nfs/dbraw/zinc/59/32/61/523593261.db2.gz SWWPRLKHCAIZMQ-QRWLVFNGSA-N 1 1 369.469 1.849 20 30 FDEDMO CCn1nc2c(cc1=O)C[N@H+](CCOc1ccc(C#N)cc1OC)CC2 ZINC000078617874 523617325 /nfs/dbraw/zinc/61/73/25/523617325.db2.gz KWBJRFDBNHPVLX-UHFFFAOYSA-N 1 1 354.410 1.581 20 30 FDEDMO Cc1sc(NC(=O)CN2CC[NH+](C[C@H]3CCCO3)CC2)c(C#N)c1C ZINC000078708768 523638703 /nfs/dbraw/zinc/63/87/03/523638703.db2.gz MCOUIUYMGKTHPT-OAHLLOKOSA-N 1 1 362.499 1.972 20 30 FDEDMO Cc1nc(SCC(=O)NCCC[NH+]2CCOCC2)c(C#N)c(C)c1C ZINC000067953071 523647044 /nfs/dbraw/zinc/64/70/44/523647044.db2.gz CNLMTMUJSVPJSN-UHFFFAOYSA-N 1 1 362.499 1.809 20 30 FDEDMO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000054510702 523652097 /nfs/dbraw/zinc/65/20/97/523652097.db2.gz DGCUEFHGRMAPKA-KRWDZBQOSA-N 1 1 356.474 1.517 20 30 FDEDMO CC(C)[C@H](C#N)N1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000068326430 523760202 /nfs/dbraw/zinc/76/02/02/523760202.db2.gz WAFGSEMLGFMZAX-YRXWBPOGSA-N 1 1 364.534 1.813 20 30 FDEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000172065629 524105248 /nfs/dbraw/zinc/10/52/48/524105248.db2.gz AHGAMRYQVCEJMI-UHFFFAOYSA-N 1 1 372.512 1.160 20 30 FDEDMO CC(C)OC[C@H](O)C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000156593041 524110716 /nfs/dbraw/zinc/11/07/16/524110716.db2.gz MBHNHFXNHZPBMY-CQSZACIVSA-N 1 1 360.414 1.714 20 30 FDEDMO Cn1cc(C[C@@H]2CC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)cn1 ZINC000156815307 524154031 /nfs/dbraw/zinc/15/40/31/524154031.db2.gz LMDSLKRXNNCZTC-INIZCTEOSA-N 1 1 358.467 1.630 20 30 FDEDMO Cn1cc(C[C@@H]2CC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)cn1 ZINC000156815307 524154037 /nfs/dbraw/zinc/15/40/37/524154037.db2.gz LMDSLKRXNNCZTC-INIZCTEOSA-N 1 1 358.467 1.630 20 30 FDEDMO CC(C)OCC[NH+]1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000081638445 524162421 /nfs/dbraw/zinc/16/24/21/524162421.db2.gz HULVXCQWZWDNSU-UHFFFAOYSA-N 1 1 358.486 1.976 20 30 FDEDMO CCOc1ccnc(N2CCC[N@H+](CC(=O)N(CC)CCC#N)CC2)n1 ZINC000135761426 524168492 /nfs/dbraw/zinc/16/84/92/524168492.db2.gz CECSNWRDLOEUQT-UHFFFAOYSA-N 1 1 360.462 1.150 20 30 FDEDMO CCOc1ccnc(N2CCC[N@@H+](CC(=O)N(CC)CCC#N)CC2)n1 ZINC000135761426 524168502 /nfs/dbraw/zinc/16/85/02/524168502.db2.gz CECSNWRDLOEUQT-UHFFFAOYSA-N 1 1 360.462 1.150 20 30 FDEDMO CCOc1ccnc(N2CCC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)CC2)n1 ZINC000135774165 524169213 /nfs/dbraw/zinc/16/92/13/524169213.db2.gz IFAZOWLQSKCUGK-MRXNPFEDSA-N 1 1 374.489 1.396 20 30 FDEDMO CCOc1ccnc(N2CCC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)CC2)n1 ZINC000135774165 524169218 /nfs/dbraw/zinc/16/92/18/524169218.db2.gz IFAZOWLQSKCUGK-MRXNPFEDSA-N 1 1 374.489 1.396 20 30 FDEDMO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(C#N)ccc2OC)CC1 ZINC000121245485 524197682 /nfs/dbraw/zinc/19/76/82/524197682.db2.gz BQZNQEMENQQTNH-UHFFFAOYSA-N 1 1 351.472 1.813 20 30 FDEDMO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc(Cl)c1C#N ZINC000157160541 524221883 /nfs/dbraw/zinc/22/18/83/524221883.db2.gz WUMGIMYRJFXFKK-GFCCVEGCSA-N 1 1 357.863 1.601 20 30 FDEDMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc(Cl)c1C#N ZINC000157160541 524221887 /nfs/dbraw/zinc/22/18/87/524221887.db2.gz WUMGIMYRJFXFKK-GFCCVEGCSA-N 1 1 357.863 1.601 20 30 FDEDMO C=CCN(C)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000157321975 524252881 /nfs/dbraw/zinc/25/28/81/524252881.db2.gz KREZUTGBBYMWTE-UHFFFAOYSA-N 1 1 366.487 1.663 20 30 FDEDMO C=CCN(C)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000157321975 524252890 /nfs/dbraw/zinc/25/28/90/524252890.db2.gz KREZUTGBBYMWTE-UHFFFAOYSA-N 1 1 366.487 1.663 20 30 FDEDMO COCCCS(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000111326337 524260434 /nfs/dbraw/zinc/26/04/34/524260434.db2.gz FVZNBBVRLGHBOD-UHFFFAOYSA-N 1 1 351.472 1.432 20 30 FDEDMO COCCCS(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000111326337 524260437 /nfs/dbraw/zinc/26/04/37/524260437.db2.gz FVZNBBVRLGHBOD-UHFFFAOYSA-N 1 1 351.472 1.432 20 30 FDEDMO COc1cc(C#N)ccc1OCC[NH+]1CCC(CN2CCOCC2)CC1 ZINC000157812905 524343404 /nfs/dbraw/zinc/34/34/04/524343404.db2.gz GOTDJLOHECVWGG-UHFFFAOYSA-N 1 1 359.470 1.990 20 30 FDEDMO C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 ZINC000157929000 524368219 /nfs/dbraw/zinc/36/82/19/524368219.db2.gz DDRBRLFUPSSMOT-HOTGVXAUSA-N 1 1 371.489 1.300 20 30 FDEDMO C[C@H](CNC(=O)CSCc1ccc(C#N)cc1)CN1CC[NH+](C)CC1 ZINC000121802967 524368955 /nfs/dbraw/zinc/36/89/55/524368955.db2.gz GCBIAJKDICLJET-MRXNPFEDSA-N 1 1 360.527 1.791 20 30 FDEDMO CC[C@H](NC(=O)N1CCO[C@H](C#N)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000121903660 524401176 /nfs/dbraw/zinc/40/11/76/524401176.db2.gz DHHSUKBVKCZEIQ-QYZOEREBSA-N 1 1 372.469 1.600 20 30 FDEDMO CC[C@H](NC(=O)N1CCO[C@H](C#N)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000121903660 524401181 /nfs/dbraw/zinc/40/11/81/524401181.db2.gz DHHSUKBVKCZEIQ-QYZOEREBSA-N 1 1 372.469 1.600 20 30 FDEDMO C[C@H](C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000112511764 524497245 /nfs/dbraw/zinc/49/72/45/524497245.db2.gz OBFOCHFTHOEXMR-IEBWSBKVSA-N 1 1 355.486 1.031 20 30 FDEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173990079 524498816 /nfs/dbraw/zinc/49/88/16/524498816.db2.gz WVOXJUZWLCSHBG-CJNGLKHVSA-N 1 1 362.861 1.945 20 30 FDEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173990079 524498821 /nfs/dbraw/zinc/49/88/21/524498821.db2.gz WVOXJUZWLCSHBG-CJNGLKHVSA-N 1 1 362.861 1.945 20 30 FDEDMO N#Cc1ccc(C[NH+]2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 ZINC000158705297 524512813 /nfs/dbraw/zinc/51/28/13/524512813.db2.gz CVQJFBURINKTAX-UHFFFAOYSA-N 1 1 364.453 1.507 20 30 FDEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)c1 ZINC000174527109 524614798 /nfs/dbraw/zinc/61/47/98/524614798.db2.gz HCVNUMBBOMTMCH-HNNXBMFYSA-N 1 1 363.483 1.012 20 30 FDEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000151609143 524627995 /nfs/dbraw/zinc/62/79/95/524627995.db2.gz KUOZFKUHFZIAOF-ZDUSSCGKSA-N 1 1 367.375 1.715 20 30 FDEDMO Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000122870251 524633460 /nfs/dbraw/zinc/63/34/60/524633460.db2.gz QJSULVIYVHIILO-QGZVFWFLSA-N 1 1 354.454 1.493 20 30 FDEDMO CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000091222820 524667469 /nfs/dbraw/zinc/66/74/69/524667469.db2.gz 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358.398 1.318 20 30 FDEDMO N#Cc1ccc(OC[C@@H](O)CNC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000569921199 549095477 /nfs/dbraw/zinc/09/54/77/549095477.db2.gz OIRKPMJSHMRHQC-MJGOQNOKSA-N 1 1 359.470 1.388 20 30 FDEDMO C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000570975227 549481254 /nfs/dbraw/zinc/48/12/54/549481254.db2.gz LJXRASKVFDUWCJ-AWEZNQCLSA-N 1 1 353.488 1.609 20 30 FDEDMO N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CC[N@H+](C4CC4)C3)C2=O)cc1 ZINC000571069566 549514830 /nfs/dbraw/zinc/51/48/30/549514830.db2.gz BKNWUHZNNSQKDV-AEFFLSMTSA-N 1 1 367.453 1.195 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000572196444 549862704 /nfs/dbraw/zinc/86/27/04/549862704.db2.gz YSBSRCGFYYCTIW-KURKYZTESA-N 1 1 365.518 1.711 20 30 FDEDMO COc1ccc(CN2CC[C@H]([NH2+]C[C@@H](C#N)CCC#N)C2=O)c(OC)c1 ZINC000575862952 550484329 /nfs/dbraw/zinc/48/43/29/550484329.db2.gz ZLWIWVJPLSPJGV-PBHICJAKSA-N 1 1 356.426 1.838 20 30 FDEDMO C[C@@H]1C[C@H]1[N@@H+]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)C[C@@H](C)C1 ZINC000576382512 550543268 /nfs/dbraw/zinc/54/32/68/550543268.db2.gz UIKWGMNVRUPTBB-BFYDXBDKSA-N 1 1 362.499 1.389 20 30 FDEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)C[C@@H](C)C1 ZINC000576382512 550543269 /nfs/dbraw/zinc/54/32/69/550543269.db2.gz UIKWGMNVRUPTBB-BFYDXBDKSA-N 1 1 362.499 1.389 20 30 FDEDMO C[NH+](C)CCCN(CCC#N)C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000576635541 550570295 /nfs/dbraw/zinc/57/02/95/550570295.db2.gz FWVORCPXYGMWQE-UHFFFAOYSA-N 1 1 372.517 1.288 20 30 FDEDMO CN1CCN(C[C@H](O)C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000577842221 550700428 /nfs/dbraw/zinc/70/04/28/550700428.db2.gz NKQJMVNGSFZDDI-IOJLRTSASA-N 1 1 372.513 1.446 20 30 FDEDMO N#CCC(=O)N1CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000577961212 550713625 /nfs/dbraw/zinc/71/36/25/550713625.db2.gz MEGWLOJGRFHGIA-UHFFFAOYSA-N 1 1 354.410 1.121 20 30 FDEDMO Cc1cc(C#N)cnc1C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000578256947 550745658 /nfs/dbraw/zinc/74/56/58/550745658.db2.gz ZZVQUAUSNNVAHC-GOSISDBHSA-N 1 1 350.422 1.411 20 30 FDEDMO CC(C)CN1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)CCN2C1=O ZINC000578512912 550771782 /nfs/dbraw/zinc/77/17/82/550771782.db2.gz CQIHCENAVITYOL-SFHVURJKSA-N 1 1 369.469 1.965 20 30 FDEDMO CS(=O)(=O)c1ccc(OCC[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000578854210 550808231 /nfs/dbraw/zinc/80/82/31/550808231.db2.gz RGMYIHJKVAXURD-QGZVFWFLSA-N 1 1 373.434 1.157 20 30 FDEDMO N#Cc1cc2c(n(CC3(CO)COC3)c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000578911305 550815182 /nfs/dbraw/zinc/81/51/82/550815182.db2.gz VSDIKCQDIKLSIU-UHFFFAOYSA-N 1 1 365.433 1.287 20 30 FDEDMO N#Cc1ncc(NC(=O)NC2CCC([NH+]3CCNCC3)CC2)cc1Cl ZINC000579569237 550886710 /nfs/dbraw/zinc/88/67/10/550886710.db2.gz XGLMBRUZQCJPEF-UHFFFAOYSA-N 1 1 362.865 1.945 20 30 FDEDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1 ZINC000579867020 550918624 /nfs/dbraw/zinc/91/86/24/550918624.db2.gz SJHPQHQDTHGVQP-UHFFFAOYSA-N 1 1 362.433 1.631 20 30 FDEDMO Cc1cc(C#N)cc(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)c1 ZINC000579927539 550924273 /nfs/dbraw/zinc/92/42/73/550924273.db2.gz JVBOSVGWFDOYGD-UHFFFAOYSA-N 1 1 358.442 1.870 20 30 FDEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2cccc(C(F)(F)F)n2)nc1 ZINC000579948143 550926951 /nfs/dbraw/zinc/92/69/51/550926951.db2.gz SHRKFYBRBDZNMR-UHFFFAOYSA-N 1 1 370.356 1.931 20 30 FDEDMO CC[N@@H+](C)C[C@H](O)COc1cc(C#N)ccc1I ZINC000580659878 551005769 /nfs/dbraw/zinc/00/57/69/551005769.db2.gz URBQGIWGZCIYBX-NSHDSACASA-N 1 1 360.195 1.854 20 30 FDEDMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000580914505 551032354 /nfs/dbraw/zinc/03/23/54/551032354.db2.gz ZLQRCRSQEISGLX-CRAIPNDOSA-N 1 1 354.454 1.528 20 30 FDEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNS(=O)(=O)c2cncc(C#N)c2)C1 ZINC000583172583 551313953 /nfs/dbraw/zinc/31/39/53/551313953.db2.gz HBDPLSCSCYUSJM-OKILXGFUSA-N 1 1 350.488 1.988 20 30 FDEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCCc3cc(C#N)ccc32)C1 ZINC000583389113 551344432 /nfs/dbraw/zinc/34/44/32/551344432.db2.gz BBASTPGGKMAJSH-IBGZPJMESA-N 1 1 370.497 1.784 20 30 FDEDMO COc1cc(CNC(=O)NCCCNc2ccc(C)c[nH+]2)ccc1C#N ZINC000584026404 551435988 /nfs/dbraw/zinc/43/59/88/551435988.db2.gz JBZAWOJSWNDNPL-UHFFFAOYSA-N 1 1 353.426 2.572 20 30 FDEDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000584748778 551541554 /nfs/dbraw/zinc/54/15/54/551541554.db2.gz NOMWCBZAZZACFL-STQMWFEESA-N 1 1 356.405 2.439 20 30 FDEDMO C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1F)c1ccco1 ZINC000585684172 551581631 /nfs/dbraw/zinc/58/16/31/551581631.db2.gz GKUDJPATSHQUBS-HNNXBMFYSA-N 1 1 358.373 1.326 20 30 FDEDMO C[NH+](C)[C@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1F)c1ccsc1 ZINC000585716381 551586552 /nfs/dbraw/zinc/58/65/52/551586552.db2.gz UGHXWDBVWXBZBL-MRXNPFEDSA-N 1 1 374.441 1.794 20 30 FDEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000585718702 551587379 /nfs/dbraw/zinc/58/73/79/551587379.db2.gz UDHRIBQKFXLTAB-WOJBJXKFSA-N 1 1 359.470 1.694 20 30 FDEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000585718702 551587381 /nfs/dbraw/zinc/58/73/81/551587381.db2.gz UDHRIBQKFXLTAB-WOJBJXKFSA-N 1 1 359.470 1.694 20 30 FDEDMO C[C@@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)Cc1c(F)cccc1C#N ZINC000586775189 551617896 /nfs/dbraw/zinc/61/78/96/551617896.db2.gz JMAPHFLFZMPQCL-NVXWUHKLSA-N 1 1 374.460 1.103 20 30 FDEDMO C[C@@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)Cc1c(F)cccc1C#N ZINC000586775189 551617897 /nfs/dbraw/zinc/61/78/97/551617897.db2.gz JMAPHFLFZMPQCL-NVXWUHKLSA-N 1 1 374.460 1.103 20 30 FDEDMO C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CCN1C(=O)Cc1c(F)cccc1C#N ZINC000586775189 551617899 /nfs/dbraw/zinc/61/78/99/551617899.db2.gz JMAPHFLFZMPQCL-NVXWUHKLSA-N 1 1 374.460 1.103 20 30 FDEDMO C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)Cc1c(F)cccc1C#N ZINC000586775189 551617901 /nfs/dbraw/zinc/61/79/01/551617901.db2.gz JMAPHFLFZMPQCL-NVXWUHKLSA-N 1 1 374.460 1.103 20 30 FDEDMO CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)Cc3c(F)cccc3C#N)CC2)C1 ZINC000586774967 551617985 /nfs/dbraw/zinc/61/79/85/551617985.db2.gz UHDGNYIOXOPVOO-QGZVFWFLSA-N 1 1 374.460 1.105 20 30 FDEDMO CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)Cc3c(F)cccc3C#N)CC2)C1 ZINC000586774967 551617988 /nfs/dbraw/zinc/61/79/88/551617988.db2.gz UHDGNYIOXOPVOO-QGZVFWFLSA-N 1 1 374.460 1.105 20 30 FDEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000587706101 551634793 /nfs/dbraw/zinc/63/47/93/551634793.db2.gz UXZVSNOGFCJHFY-RDJZCZTQSA-N 1 1 356.470 1.926 20 30 FDEDMO C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000588293345 551664635 /nfs/dbraw/zinc/66/46/35/551664635.db2.gz HKRGAZKHBUSTLL-GXTWGEPZSA-N 1 1 350.444 1.588 20 30 FDEDMO N#Cc1cccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)n1 ZINC000589457488 551731742 /nfs/dbraw/zinc/73/17/42/551731742.db2.gz IHVTUEZFDXKMCG-LPHOPBHVSA-N 1 1 350.422 1.566 20 30 FDEDMO CN(C)CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000589527469 551735036 /nfs/dbraw/zinc/73/50/36/551735036.db2.gz CNNQNQHZQDDDDX-IBGZPJMESA-N 1 1 357.502 1.527 20 30 FDEDMO CN(CCCNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)CC[NH+](C)C ZINC000589527469 551735037 /nfs/dbraw/zinc/73/50/37/551735037.db2.gz CNNQNQHZQDDDDX-IBGZPJMESA-N 1 1 357.502 1.527 20 30 FDEDMO N#Cc1ccncc1N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000589858846 551748397 /nfs/dbraw/zinc/74/83/97/551748397.db2.gz YWSFYUXIZOWIOS-SJORKVTESA-N 1 1 354.458 1.412 20 30 FDEDMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)[C@H]2C1 ZINC000589930319 551752530 /nfs/dbraw/zinc/75/25/30/551752530.db2.gz VYCWWAGFLMHSOJ-RISCZKNCSA-N 1 1 370.272 1.645 20 30 FDEDMO C[N@@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000589930318 551752555 /nfs/dbraw/zinc/75/25/55/551752555.db2.gz VYCWWAGFLMHSOJ-FZMZJTMJSA-N 1 1 370.272 1.645 20 30 FDEDMO C[N@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)C2)C1 ZINC000590165374 551763226 /nfs/dbraw/zinc/76/32/26/551763226.db2.gz LPFVNMWBLVKOCQ-INIZCTEOSA-N 1 1 364.427 1.573 20 30 FDEDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000590402392 551780826 /nfs/dbraw/zinc/78/08/26/551780826.db2.gz STQUGOOZPWBUFW-MOPGFXCFSA-N 1 1 365.437 1.679 20 30 FDEDMO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000590550256 551791003 /nfs/dbraw/zinc/79/10/03/551791003.db2.gz OMPXLVQBMOZLOY-SJORKVTESA-N 1 1 373.453 1.393 20 30 FDEDMO N#Cc1ccc(C[N@H+]2CCCN(c3ncnc4c3OCCN4)CC2)cc1 ZINC000590573476 551793759 /nfs/dbraw/zinc/79/37/59/551793759.db2.gz XPCXAIJTHOZMKW-UHFFFAOYSA-N 1 1 350.426 1.865 20 30 FDEDMO Cn1cc([C@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)C2(CO)CCC2)cn1 ZINC000590598749 551796785 /nfs/dbraw/zinc/79/67/85/551796785.db2.gz CZTDMYKQYQMNHR-KRWDZBQOSA-N 1 1 359.474 1.556 20 30 FDEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000590600104 551796961 /nfs/dbraw/zinc/79/69/61/551796961.db2.gz IKYJQYBWROPLSO-AWEZNQCLSA-N 1 1 367.457 1.902 20 30 FDEDMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3ccc(C#N)n3C)cc2)CC1 ZINC000590626214 551799908 /nfs/dbraw/zinc/79/99/08/551799908.db2.gz BDAAKMWKOZHWKG-UHFFFAOYSA-N 1 1 365.437 1.927 20 30 FDEDMO N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000590768048 551815018 /nfs/dbraw/zinc/81/50/18/551815018.db2.gz VFVJDWCMPTWFGW-MOPGFXCFSA-N 1 1 356.470 1.490 20 30 FDEDMO C[N@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)[C@@H]2C1 ZINC000590785868 551816547 /nfs/dbraw/zinc/81/65/47/551816547.db2.gz MFVZRPUYQZEWMC-CZUORRHYSA-N 1 1 370.453 1.837 20 30 FDEDMO N#Cc1ccc(CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)cc1 ZINC000590908544 551826268 /nfs/dbraw/zinc/82/62/68/551826268.db2.gz JDUMAEJGGWXSRX-UHFFFAOYSA-N 1 1 358.442 1.239 20 30 FDEDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000591395923 551867723 /nfs/dbraw/zinc/86/77/23/551867723.db2.gz FSBWXFYTRVJQPC-QWHCGFSZSA-N 1 1 350.850 1.808 20 30 FDEDMO CC(C)[C@@H]([NH2+]Cc1ccncc1C#N)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000592121712 551945782 /nfs/dbraw/zinc/94/57/82/551945782.db2.gz ZBPVENMYBDKOHF-GOSISDBHSA-N 1 1 367.457 1.264 20 30 FDEDMO N#CC[C@]1(O)CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000592147812 551949650 /nfs/dbraw/zinc/94/96/50/551949650.db2.gz SESQQPABRYQYOP-UZLBHIALSA-N 1 1 371.437 1.472 20 30 FDEDMO N#CC[C@]1(O)CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000592147812 551949651 /nfs/dbraw/zinc/94/96/51/551949651.db2.gz SESQQPABRYQYOP-UZLBHIALSA-N 1 1 371.437 1.472 20 30 FDEDMO N#Cc1cccc(NC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000592269839 551970897 /nfs/dbraw/zinc/97/08/97/551970897.db2.gz UOAIUFQUKHOEBK-UHFFFAOYSA-N 1 1 365.441 1.682 20 30 FDEDMO C[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)[N@@H+]1CCc2ccccc2C1 ZINC000592283110 551972107 /nfs/dbraw/zinc/97/21/07/551972107.db2.gz ATAXMVZTVVNKIC-AWEZNQCLSA-N 1 1 363.421 1.455 20 30 FDEDMO C[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)[N@H+]1CCc2ccccc2C1 ZINC000592283110 551972108 /nfs/dbraw/zinc/97/21/08/551972108.db2.gz ATAXMVZTVVNKIC-AWEZNQCLSA-N 1 1 363.421 1.455 20 30 FDEDMO CC(=O)NCC[N@@H+](C[C@H]1CNc2c(C#N)cnn2C1)C1CCSCC1 ZINC000592510028 552003572 /nfs/dbraw/zinc/00/35/72/552003572.db2.gz MOVLKNJAJUGNFC-CQSZACIVSA-N 1 1 362.503 1.130 20 30 FDEDMO CCN1CCC([N@H+]2CCCN(Cc3cnc4c(C#N)cnn4c3)CC2)CC1 ZINC000592516544 552004193 /nfs/dbraw/zinc/00/41/93/552004193.db2.gz RGEJVKBRMBLIBW-UHFFFAOYSA-N 1 1 367.501 1.593 20 30 FDEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@]4(CC4(F)F)C3)CC2)o1 ZINC000593118768 552064651 /nfs/dbraw/zinc/06/46/51/552064651.db2.gz RRWNNPDUUFNKRA-MRXNPFEDSA-N 1 1 365.384 1.234 20 30 FDEDMO N#Cc1ccccc1CSCCNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593299778 552085654 /nfs/dbraw/zinc/08/56/54/552085654.db2.gz XAXUUOTXKQUOTR-QGZVFWFLSA-N 1 1 360.483 1.252 20 30 FDEDMO N#Cc1ccccc1CSCCNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593299778 552085657 /nfs/dbraw/zinc/08/56/57/552085657.db2.gz XAXUUOTXKQUOTR-QGZVFWFLSA-N 1 1 360.483 1.252 20 30 FDEDMO C[S@](=O)C1(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593401849 552103282 /nfs/dbraw/zinc/10/32/82/552103282.db2.gz GWWRRYTXHJGAGU-SANMLTNESA-N 1 1 374.510 1.733 20 30 FDEDMO CN(Cc1nnc[nH]1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593513397 552120072 /nfs/dbraw/zinc/12/00/72/552120072.db2.gz JCCDVSSYACHUQA-UHFFFAOYSA-N 1 1 353.430 1.482 20 30 FDEDMO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3C[C@@H]4C[C@H]3C[S@@]4=O)CC2)c1 ZINC000593514797 552120577 /nfs/dbraw/zinc/12/05/77/552120577.db2.gz DCOSXPOSIVEQEX-XWXLMPLOSA-N 1 1 372.494 1.437 20 30 FDEDMO N#CCCn1ncc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1-c1ccccc1 ZINC000593855596 552210317 /nfs/dbraw/zinc/21/03/17/552210317.db2.gz KNTASDYMIVAKQF-QGZVFWFLSA-N 1 1 365.437 1.355 20 30 FDEDMO N#CCCn1ncc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1-c1ccccc1 ZINC000593855596 552210321 /nfs/dbraw/zinc/21/03/21/552210321.db2.gz KNTASDYMIVAKQF-QGZVFWFLSA-N 1 1 365.437 1.355 20 30 FDEDMO COC(=O)[C@]12C[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C[C@H]1CCCC2 ZINC000594015977 552238496 /nfs/dbraw/zinc/23/84/96/552238496.db2.gz RGVGVNIPAGHHOL-MBOZVWFJSA-N 1 1 358.438 1.963 20 30 FDEDMO N#Cc1cccc(N2CCN(C(=O)N[C@H]3CCC[N@H+]4CCCC[C@H]34)CC2)n1 ZINC000594284473 552277801 /nfs/dbraw/zinc/27/78/01/552277801.db2.gz YVSYEPKQMYWANU-ZWKOTPCHSA-N 1 1 368.485 1.802 20 30 FDEDMO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594482752 552322636 /nfs/dbraw/zinc/32/26/36/552322636.db2.gz FEIKMKNIUPSBLQ-ZFWWWQNUSA-N 1 1 364.427 1.762 20 30 FDEDMO N#Cc1c(-n2cccn2)cccc1N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000594566282 552334812 /nfs/dbraw/zinc/33/48/12/552334812.db2.gz LBARPYYTDIUMNW-IBGZPJMESA-N 1 1 364.453 1.662 20 30 FDEDMO Cc1cccc(C[NH+]2CCN(C(=O)Cn3cc(C#N)ccc3=O)CC2)c1 ZINC000594901320 552422565 /nfs/dbraw/zinc/42/25/65/552422565.db2.gz BENZISHFJQZBGJ-UHFFFAOYSA-N 1 1 350.422 1.373 20 30 FDEDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H](CC#N)C2)cc1 ZINC000595082527 552446929 /nfs/dbraw/zinc/44/69/29/552446929.db2.gz OXZPZORSBVGRNR-CQSZACIVSA-N 1 1 371.441 1.277 20 30 FDEDMO C[C@]1(C#N)CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000595127675 552460028 /nfs/dbraw/zinc/46/00/28/552460028.db2.gz WBDTZQDITXXJOW-HXUWFJFHSA-N 1 1 354.454 1.135 20 30 FDEDMO C[C@@]1(C#N)CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000595205497 552489932 /nfs/dbraw/zinc/48/99/32/552489932.db2.gz UXLGHFZJHAXODO-FQEVSTJZSA-N 1 1 370.453 1.262 20 30 FDEDMO COC(=O)CCN1CC[C@@H]([N@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1=O ZINC000595408522 552552950 /nfs/dbraw/zinc/55/29/50/552552950.db2.gz QYPKHTKVTAIVDZ-GOSISDBHSA-N 1 1 353.422 1.811 20 30 FDEDMO COC(=O)CCN1CC[C@@H]([N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1=O ZINC000595408522 552552953 /nfs/dbraw/zinc/55/29/53/552552953.db2.gz QYPKHTKVTAIVDZ-GOSISDBHSA-N 1 1 353.422 1.811 20 30 FDEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000595470731 552568015 /nfs/dbraw/zinc/56/80/15/552568015.db2.gz QYSCZWJGDZDDOJ-WOJBJXKFSA-N 1 1 373.497 1.679 20 30 FDEDMO COC(=O)C[C@](C)([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccncc1 ZINC000595487493 552570914 /nfs/dbraw/zinc/57/09/14/552570914.db2.gz TWIGLSYISOBQQQ-IBGZPJMESA-N 1 1 352.394 1.960 20 30 FDEDMO Cn1cc([C@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)C2(CO)CCC2)cn1 ZINC000595492327 552571804 /nfs/dbraw/zinc/57/18/04/552571804.db2.gz GXYMISOHMHRSOL-SFHVURJKSA-N 1 1 353.426 1.724 20 30 FDEDMO COCC[N@@H+](C)CCCNC(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000595552974 552583529 /nfs/dbraw/zinc/58/35/29/552583529.db2.gz TUSRKJZFSNZOIX-UHFFFAOYSA-N 1 1 365.503 1.420 20 30 FDEDMO N#CC[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000595612232 552592563 /nfs/dbraw/zinc/59/25/63/552592563.db2.gz UFWGISPABJODSJ-SFHVURJKSA-N 1 1 370.497 1.761 20 30 FDEDMO N#CC[C@@H]1CCC[N@H+](CC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000595612232 552592565 /nfs/dbraw/zinc/59/25/65/552592565.db2.gz UFWGISPABJODSJ-SFHVURJKSA-N 1 1 370.497 1.761 20 30 FDEDMO N#Cc1sccc1N1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000595633101 552595477 /nfs/dbraw/zinc/59/54/77/552595477.db2.gz MFUGZZJQIQVIIK-HUUCEWRRSA-N 1 1 351.472 1.298 20 30 FDEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000595717611 552606389 /nfs/dbraw/zinc/60/63/89/552606389.db2.gz JPHHFGBVARQRHI-NIKGAXFTSA-N 1 1 365.474 1.331 20 30 FDEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000595717611 552606390 /nfs/dbraw/zinc/60/63/90/552606390.db2.gz JPHHFGBVARQRHI-NIKGAXFTSA-N 1 1 365.474 1.331 20 30 FDEDMO CN1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCC1=O ZINC000595780036 552614297 /nfs/dbraw/zinc/61/42/97/552614297.db2.gz BZMCCXFMZUCRNK-UHFFFAOYSA-N 1 1 360.483 1.991 20 30 FDEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)CC1 ZINC000595822054 552619464 /nfs/dbraw/zinc/61/94/64/552619464.db2.gz LSHQSKHKJLMTIG-IBGZPJMESA-N 1 1 374.529 1.570 20 30 FDEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCOC(C3CC3)(C3CC3)C2)CC1 ZINC000595822054 552619465 /nfs/dbraw/zinc/61/94/65/552619465.db2.gz LSHQSKHKJLMTIG-IBGZPJMESA-N 1 1 374.529 1.570 20 30 FDEDMO C=C[C@H](CO)[NH2+][C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000595863968 552625113 /nfs/dbraw/zinc/62/51/13/552625113.db2.gz LZKCQKMSXMYFNE-VHSXEESVSA-N 1 1 351.428 1.667 20 30 FDEDMO C=C[C@H](CO)[NH2+]CC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C)C2 ZINC000595864268 552625549 /nfs/dbraw/zinc/62/55/49/552625549.db2.gz XAYQKBOXXGWHDY-GHMZBOCLSA-N 1 1 352.456 1.735 20 30 FDEDMO CCOc1ccc(N2CC[NH+](CCOc3cccc(C#N)c3)CC2)nn1 ZINC000595893979 552629923 /nfs/dbraw/zinc/62/99/23/552629923.db2.gz ZQNPGRDMHWSMKW-UHFFFAOYSA-N 1 1 353.426 1.948 20 30 FDEDMO COC[C@H](Cn1c2c(cc(C#N)c1=O)C[N@H+](Cc1ccccc1)CC2)OC ZINC000596318193 552674180 /nfs/dbraw/zinc/67/41/80/552674180.db2.gz ZIOUFQAYQMBHIK-IBGZPJMESA-N 1 1 367.449 1.940 20 30 FDEDMO COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596570274 552690184 /nfs/dbraw/zinc/69/01/84/552690184.db2.gz PXONEWTYAIXITD-MRXNPFEDSA-N 1 1 370.453 1.744 20 30 FDEDMO N#CC1(CC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCOCC1 ZINC000596790658 552710714 /nfs/dbraw/zinc/71/07/14/552710714.db2.gz ONPQYBXYGAYKEW-UHFFFAOYSA-N 1 1 374.460 1.774 20 30 FDEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC000597052899 552740032 /nfs/dbraw/zinc/74/00/32/552740032.db2.gz QEQTVJNCAXYEDT-HDICACEKSA-N 1 1 362.518 1.714 20 30 FDEDMO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000597290950 552770469 /nfs/dbraw/zinc/77/04/69/552770469.db2.gz NCCDQTDOMJEPDA-SFHVURJKSA-N 1 1 364.453 1.914 20 30 FDEDMO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC2(C#N)CCCCC2)CCCO1 ZINC000597303534 552772113 /nfs/dbraw/zinc/77/21/13/552772113.db2.gz GMHDYAYZIZVVOP-MRXNPFEDSA-N 1 1 364.490 1.194 20 30 FDEDMO N#Cc1cccc(-c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CC2CC2)c1 ZINC000597428455 552787844 /nfs/dbraw/zinc/78/78/44/552787844.db2.gz QWNRSDXMNKGHBE-GOSISDBHSA-N 1 1 364.453 1.748 20 30 FDEDMO N#Cc1cccc(-c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CC2CC2)c1 ZINC000597428455 552787845 /nfs/dbraw/zinc/78/78/45/552787845.db2.gz QWNRSDXMNKGHBE-GOSISDBHSA-N 1 1 364.453 1.748 20 30 FDEDMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)CC1(C#N)CCOCC1 ZINC000597536042 552801106 /nfs/dbraw/zinc/80/11/06/552801106.db2.gz ANQHLJLMZJVRRL-NRFANRHFSA-N 1 1 371.481 1.792 20 30 FDEDMO C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000597943316 552848546 /nfs/dbraw/zinc/84/85/46/552848546.db2.gz XSAQKXCFOICJQK-FXAWDEMLSA-N 1 1 371.529 1.915 20 30 FDEDMO C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000597943316 552848548 /nfs/dbraw/zinc/84/85/48/552848548.db2.gz XSAQKXCFOICJQK-FXAWDEMLSA-N 1 1 371.529 1.915 20 30 FDEDMO N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000598453074 552897314 /nfs/dbraw/zinc/89/73/14/552897314.db2.gz ODJLVDNDWBUERH-PMACEKPBSA-N 1 1 368.481 1.585 20 30 FDEDMO CN(C(=O)CN1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1)C1CCCCC1 ZINC000598588971 552912324 /nfs/dbraw/zinc/91/23/24/552912324.db2.gz FQRKJRHPTZRZBX-GOSISDBHSA-N 1 1 364.534 1.696 20 30 FDEDMO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000599212831 552987834 /nfs/dbraw/zinc/98/78/34/552987834.db2.gz IDHNPRCFRSMMSJ-BZSNNMDCSA-N 1 1 374.533 1.920 20 30 FDEDMO CC[N@H+](C[C@@H](O)COc1ccccc1C#N)[C@H](C)CS(=O)(=O)CC ZINC000599293129 553017788 /nfs/dbraw/zinc/01/77/88/553017788.db2.gz OHKRCTPIKZUDPN-GDBMZVCRSA-N 1 1 354.472 1.443 20 30 FDEDMO CC[N@@H+](C[C@@H](O)COc1ccccc1C#N)[C@H](C)CS(=O)(=O)CC ZINC000599293129 553017790 /nfs/dbraw/zinc/01/77/90/553017790.db2.gz OHKRCTPIKZUDPN-GDBMZVCRSA-N 1 1 354.472 1.443 20 30 FDEDMO COC(=O)c1ccc2c(c1)C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)CC2 ZINC000599346456 553033331 /nfs/dbraw/zinc/03/33/31/553033331.db2.gz KDNYIBBQAPDQDS-GOSISDBHSA-N 1 1 358.438 1.903 20 30 FDEDMO N#CC1(C[C@@H](O)C[N@@H+]2CCO[C@H](COc3ccccc3)C2)CCOCC1 ZINC000599391645 553043456 /nfs/dbraw/zinc/04/34/56/553043456.db2.gz PFVPSYIGEWYJOI-MJGOQNOKSA-N 1 1 360.454 1.838 20 30 FDEDMO N#CC1(C[C@@H](O)C[N@H+]2CCO[C@H](COc3ccccc3)C2)CCOCC1 ZINC000599391645 553043457 /nfs/dbraw/zinc/04/34/57/553043457.db2.gz PFVPSYIGEWYJOI-MJGOQNOKSA-N 1 1 360.454 1.838 20 30 FDEDMO 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C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cscn1)C2 ZINC001111494392 795562545 /nfs/dbraw/zinc/56/25/45/795562545.db2.gz NLFDTZYLAGYYQC-XZDPQHSOSA-N 1 1 362.499 1.488 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC000979874490 806574297 /nfs/dbraw/zinc/57/42/97/806574297.db2.gz PHMNUJAKDPPYMY-DTTOXWODSA-N 1 1 354.454 1.028 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CCn4cncn4)[C@@H]3C2)cc1F ZINC001075555822 799772156 /nfs/dbraw/zinc/77/21/56/799772156.db2.gz PKZXOBZDKPVDMG-FUHWJXTLSA-N 1 1 368.416 1.412 20 30 FDEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCn4cncn4)[C@@H]3C2)cc1F ZINC001075555822 799772160 /nfs/dbraw/zinc/77/21/60/799772160.db2.gz PKZXOBZDKPVDMG-FUHWJXTLSA-N 1 1 368.416 1.412 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)NC2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)CC[N@H+]1C ZINC000980125753 806778610 /nfs/dbraw/zinc/77/86/10/806778610.db2.gz CQQXWLXYTBPFOE-TXVKYFBMSA-N 1 1 371.485 1.774 20 30 FDEDMO CC#CCN1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974595859 799902845 /nfs/dbraw/zinc/90/28/45/799902845.db2.gz MWRNFDJZDDHQSB-QRVBRYPASA-N 1 1 361.530 1.583 20 30 FDEDMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1C[N@H+](CC#Cc2ccccc2)CC1(C)C ZINC000974694412 800106046 /nfs/dbraw/zinc/10/60/46/800106046.db2.gz TWFFFBJZZWISFH-WDSOQIARSA-N 1 1 356.466 1.669 20 30 FDEDMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1C[N@@H+](CC#Cc2ccccc2)CC1(C)C ZINC000974694412 800106049 /nfs/dbraw/zinc/10/60/49/800106049.db2.gz TWFFFBJZZWISFH-WDSOQIARSA-N 1 1 356.466 1.669 20 30 FDEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CN(CC#Cc3ccccc3)CC2(C)C)O1 ZINC000974758183 800229027 /nfs/dbraw/zinc/22/90/27/800229027.db2.gz UXWDWTLTBBLPHK-RLLQIKCJSA-N 1 1 369.509 1.584 20 30 FDEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CN(CC#Cc3ccccc3)CC2(C)C)O1 ZINC000974758183 800229030 /nfs/dbraw/zinc/22/90/30/800229030.db2.gz UXWDWTLTBBLPHK-RLLQIKCJSA-N 1 1 369.509 1.584 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cc(C)co3)[C@@H]2C1 ZINC000974833104 800379348 /nfs/dbraw/zinc/37/93/48/800379348.db2.gz KNNOKOSBRMOBRC-IXDOHACOSA-N 1 1 355.438 1.359 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cc(C)co3)[C@@H]2C1 ZINC000974833104 800379356 /nfs/dbraw/zinc/37/93/56/800379356.db2.gz KNNOKOSBRMOBRC-IXDOHACOSA-N 1 1 355.438 1.359 20 30 FDEDMO C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC000974924518 800567374 /nfs/dbraw/zinc/56/73/74/800567374.db2.gz RTOPCFHYGYFWOS-JJRVBVJISA-N 1 1 364.409 1.100 20 30 FDEDMO CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC000974972561 800623461 /nfs/dbraw/zinc/62/34/61/800623461.db2.gz PAQBIPTUATUFBW-ARFHVFGLSA-N 1 1 357.458 1.616 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(C)nnn2CC)CC1(C)C ZINC000975063242 800810465 /nfs/dbraw/zinc/81/04/65/800810465.db2.gz JCRZGXJENLFQAP-HYVNUMGLSA-N 1 1 361.490 1.524 20 30 FDEDMO 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C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000661338378 803296690 /nfs/dbraw/zinc/29/66/90/803296690.db2.gz HWRGAGAMFNUFFF-ZCNNSNEGSA-N 1 1 372.513 1.693 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000661338378 803296696 /nfs/dbraw/zinc/29/66/96/803296696.db2.gz HWRGAGAMFNUFFF-ZCNNSNEGSA-N 1 1 372.513 1.693 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC000976405618 803323711 /nfs/dbraw/zinc/32/37/11/803323711.db2.gz KTNYDXPSHWRDFB-QRVBRYPASA-N 1 1 353.466 1.919 20 30 FDEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@](CO)(OC)C2)c(OC)c1 ZINC000661398951 803476994 /nfs/dbraw/zinc/47/69/94/803476994.db2.gz XDPMCXUCPSKFPG-FXAWDEMLSA-N 1 1 365.470 1.637 20 30 FDEDMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000976556465 803521286 /nfs/dbraw/zinc/52/12/86/803521286.db2.gz XBOXDEQFAWBOQR-IAGOWNOFSA-N 1 1 371.485 1.775 20 30 FDEDMO 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/nfs/dbraw/zinc/05/13/82/815051382.db2.gz WNMLWGGDBLRUOA-INIZCTEOSA-N 1 1 359.470 1.828 20 30 FDEDMO C=CCCc1ccccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000504074152 815052219 /nfs/dbraw/zinc/05/22/19/815052219.db2.gz HSQMDJSTVGKWQE-KRWDZBQOSA-N 1 1 372.469 1.200 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCn2nc(C)nc2C)C1 ZINC001027585980 805177059 /nfs/dbraw/zinc/17/70/59/805177059.db2.gz UHNUUPJFXBNSEL-KSZLIROESA-N 1 1 361.490 1.409 20 30 FDEDMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21)[C@]12C[C@H]1COC2 ZINC000978163321 805228330 /nfs/dbraw/zinc/22/83/30/805228330.db2.gz DEGGTPYNZTUBGH-RFCWIEKVSA-N 1 1 354.425 1.508 20 30 FDEDMO C[C@H]1C[C@H](CCNC(=O)NCC(=O)NCC#N)C[N@H+]1Cc1ccccc1 ZINC000511907108 805289821 /nfs/dbraw/zinc/28/98/21/805289821.db2.gz RNZFQJGQLRLINK-RDJZCZTQSA-N 1 1 357.458 1.226 20 30 FDEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH]cn4)[C@@H]3C2)c1 ZINC000978295536 805346244 /nfs/dbraw/zinc/34/62/44/805346244.db2.gz SIHGYYBZSCTIBK-NNIGNNQHSA-N 1 1 361.449 1.879 20 30 FDEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4cnc[nH]4)[C@@H]3C2)c1 ZINC000978295536 805346249 /nfs/dbraw/zinc/34/62/49/805346249.db2.gz SIHGYYBZSCTIBK-NNIGNNQHSA-N 1 1 361.449 1.879 20 30 FDEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4cnc[nH]4)[C@@H]3C2)c1 ZINC000978295536 805346258 /nfs/dbraw/zinc/34/62/58/805346258.db2.gz SIHGYYBZSCTIBK-NNIGNNQHSA-N 1 1 361.449 1.879 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCc2ccnn2C)C1 ZINC001027612534 805366363 /nfs/dbraw/zinc/36/63/63/805366363.db2.gz KABUHEJJZAEYIG-QYZOEREBSA-N 1 1 360.502 1.867 20 30 FDEDMO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001027943428 807037063 /nfs/dbraw/zinc/03/70/63/807037063.db2.gz RPVVYLAZYWPGNI-OWQGQXMQSA-N 1 1 361.417 1.582 20 30 FDEDMO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001027943428 807037067 /nfs/dbraw/zinc/03/70/67/807037067.db2.gz 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C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)SC)n1 ZINC001130187835 938733910 /nfs/dbraw/zinc/73/39/10/938733910.db2.gz MBBCUBYGEOFPDK-IHRRRGAJSA-N 1 1 367.519 1.601 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)SC)n[nH]1 ZINC001130187835 938733912 /nfs/dbraw/zinc/73/39/12/938733912.db2.gz MBBCUBYGEOFPDK-IHRRRGAJSA-N 1 1 367.519 1.601 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cncc(C)c2)n1 ZINC001130195839 938738737 /nfs/dbraw/zinc/73/87/37/938738737.db2.gz FUJNNZBVDBDZHF-HOTGVXAUSA-N 1 1 370.457 1.476 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cncc(C)c2)n[nH]1 ZINC001130195839 938738740 /nfs/dbraw/zinc/73/87/40/938738740.db2.gz FUJNNZBVDBDZHF-HOTGVXAUSA-N 1 1 370.457 1.476 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnccc2C)n1 ZINC001130196188 938739604 /nfs/dbraw/zinc/73/96/04/938739604.db2.gz VZOIBRBJTCTXKN-HOCLYGCPSA-N 1 1 370.457 1.476 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnccc2C)n[nH]1 ZINC001130196188 938739605 /nfs/dbraw/zinc/73/96/05/938739605.db2.gz VZOIBRBJTCTXKN-HOCLYGCPSA-N 1 1 370.457 1.476 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)C2CC2)[nH]1 ZINC001130198505 938740520 /nfs/dbraw/zinc/74/05/20/938740520.db2.gz NNTWYSLPXTYJKI-UBHSHLNASA-N 1 1 367.881 1.682 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC(F)(F)C2)n1 ZINC001130198678 938740988 /nfs/dbraw/zinc/74/09/88/938740988.db2.gz VJYGEJGFKAVZFT-RYUDHWBXSA-N 1 1 355.389 1.114 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CC(F)(F)C2)n[nH]1 ZINC001130198678 938740990 /nfs/dbraw/zinc/74/09/90/938740990.db2.gz VJYGEJGFKAVZFT-RYUDHWBXSA-N 1 1 355.389 1.114 20 30 FDEDMO C#CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)CC)n[nH]1 ZINC001130210198 938748008 /nfs/dbraw/zinc/74/80/08/938748008.db2.gz ZESQJVCIASRVCV-PMPSAXMXSA-N 1 1 361.490 1.733 20 30 FDEDMO C#CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)CC)n1 ZINC001130210198 938748009 /nfs/dbraw/zinc/74/80/09/938748009.db2.gz ZESQJVCIASRVCV-PMPSAXMXSA-N 1 1 361.490 1.733 20 30 FDEDMO CC1CC(C[NH2+]C[C@@H]2OCC[C@@H]2c2n[nH]c(CNC(=O)C#CC3CC3)n2)C1 ZINC001130212874 938749990 /nfs/dbraw/zinc/74/99/90/938749990.db2.gz ITSXZNPQIVOYAI-KMZOKZLKSA-N 1 1 371.485 1.343 20 30 FDEDMO CC1CC(C[NH2+]C[C@@H]2OCC[C@@H]2c2nc(CNC(=O)C#CC3CC3)n[nH]2)C1 ZINC001130212874 938749991 /nfs/dbraw/zinc/74/99/91/938749991.db2.gz ITSXZNPQIVOYAI-KMZOKZLKSA-N 1 1 371.485 1.343 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)/C=C/C2CC2)n1 ZINC001130202699 938755013 /nfs/dbraw/zinc/75/50/13/938755013.db2.gz FYUDWOHOXXOQLD-HABDOHHLSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=CC2CC2)n[nH]1 ZINC001130202699 938755014 /nfs/dbraw/zinc/75/50/14/938755014.db2.gz FYUDWOHOXXOQLD-HABDOHHLSA-N 1 1 359.474 1.815 20 30 FDEDMO C[C@@H](C#N)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CCCC2)n[nH]1 ZINC001130202870 938755491 /nfs/dbraw/zinc/75/54/91/938755491.db2.gz NBLSNONACQXEQS-QEJZJMRPSA-N 1 1 360.462 1.233 20 30 FDEDMO C[C@@H](C#N)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CCCC2)n1 ZINC001130202870 938755492 /nfs/dbraw/zinc/75/54/92/938755492.db2.gz NBLSNONACQXEQS-QEJZJMRPSA-N 1 1 360.462 1.233 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c(C)cncc2C)n1 ZINC001130223162 938757099 /nfs/dbraw/zinc/75/70/99/938757099.db2.gz OYQVYKUDEFGHRG-GJZGRUSLSA-N 1 1 370.457 1.395 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c(C)cncc2C)n[nH]1 ZINC001130223162 938757100 /nfs/dbraw/zinc/75/71/00/938757100.db2.gz OYQVYKUDEFGHRG-GJZGRUSLSA-N 1 1 370.457 1.395 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](CCC)OC)n1 ZINC001130225236 938759840 /nfs/dbraw/zinc/75/98/40/938759840.db2.gz YPZYUYJVVPANAI-ZNMIVQPWSA-N 1 1 365.478 1.274 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](CCC)OC)n[nH]1 ZINC001130225236 938759841 /nfs/dbraw/zinc/75/98/41/938759841.db2.gz YPZYUYJVVPANAI-ZNMIVQPWSA-N 1 1 365.478 1.274 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2CC(C)(C)C2)[nH]1 ZINC001130229782 938763300 /nfs/dbraw/zinc/76/33/00/938763300.db2.gz FQUQQCGODWPLAN-GJZGRUSLSA-N 1 1 359.474 1.343 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)co2)n1 ZINC001130230171 938763970 /nfs/dbraw/zinc/76/39/70/938763970.db2.gz PQZXPMHUAHGKBP-ZFWWWQNUSA-N 1 1 359.430 1.674 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)co2)n[nH]1 ZINC001130230171 938763971 /nfs/dbraw/zinc/76/39/71/938763971.db2.gz PQZXPMHUAHGKBP-ZFWWWQNUSA-N 1 1 359.430 1.674 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C3CC3)CCC2)n1 ZINC001130230531 938764293 /nfs/dbraw/zinc/76/42/93/938764293.db2.gz YTCZXQVXWQVDAA-HOTGVXAUSA-N 1 1 371.485 1.487 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(C3CC3)CCC2)n[nH]1 ZINC001130230531 938764294 /nfs/dbraw/zinc/76/42/94/938764294.db2.gz YTCZXQVXWQVDAA-HOTGVXAUSA-N 1 1 371.485 1.487 20 30 FDEDMO C=C[C@@H](CC)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130232876 938765190 /nfs/dbraw/zinc/76/51/90/938765190.db2.gz RPVWKTCERDMLSL-BPUTZDHNSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C[C@@H](CC)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1 ZINC001130232876 938765192 /nfs/dbraw/zinc/76/51/92/938765192.db2.gz RPVWKTCERDMLSL-BPUTZDHNSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccnc2C)n1 ZINC001130232689 938765200 /nfs/dbraw/zinc/76/52/00/938765200.db2.gz NXLYFUPVBXGFKO-HOTGVXAUSA-N 1 1 370.457 1.476 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccnc2C)n[nH]1 ZINC001130232689 938765201 /nfs/dbraw/zinc/76/52/01/938765201.db2.gz NXLYFUPVBXGFKO-HOTGVXAUSA-N 1 1 370.457 1.476 20 30 FDEDMO C=C[C@](C)(CC)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCOC)n[nH]1 ZINC001130234724 938765903 /nfs/dbraw/zinc/76/59/03/938765903.db2.gz JAKFXNXEOTYPET-SUNYJGFJSA-N 1 1 365.478 1.132 20 30 FDEDMO C=C[C@](C)(CC)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCOC)n1 ZINC001130234724 938765905 /nfs/dbraw/zinc/76/59/05/938765905.db2.gz JAKFXNXEOTYPET-SUNYJGFJSA-N 1 1 365.478 1.132 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@](C)(C=C)CC)n1 ZINC001130234647 938765909 /nfs/dbraw/zinc/76/59/09/938765909.db2.gz GCHOYGCFXGGTQS-YZVOILCLSA-N 1 1 359.474 1.509 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@](C)(C=C)CC)n[nH]1 ZINC001130234647 938765910 /nfs/dbraw/zinc/76/59/10/938765910.db2.gz GCHOYGCFXGGTQS-YZVOILCLSA-N 1 1 359.474 1.509 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CF)CCC2)[nH]1 ZINC001130238200 938767756 /nfs/dbraw/zinc/76/77/56/938767756.db2.gz YOWGBHKZOKQJNV-KBPBESRZSA-N 1 1 363.437 1.046 20 30 FDEDMO C=CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+][C@@H](C)COC)n[nH]1 ZINC001130238178 938767889 /nfs/dbraw/zinc/76/78/89/938767889.db2.gz XIMBQYCHKBTMCY-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+][C@@H](C)COC)n1 ZINC001130238178 938767891 /nfs/dbraw/zinc/76/78/91/938767891.db2.gz XIMBQYCHKBTMCY-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCC(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130240526 938768420 /nfs/dbraw/zinc/76/84/20/938768420.db2.gz SVTPAYSVCUBVCP-GJZGRUSLSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CCC(C)(C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1 ZINC001130240526 938768422 /nfs/dbraw/zinc/76/84/22/938768422.db2.gz SVTPAYSVCUBVCP-GJZGRUSLSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[C@H](C)CC2)n1 ZINC001130247002 938772214 /nfs/dbraw/zinc/77/22/14/938772214.db2.gz QGEFNQINSRSIHN-VGWMRTNUSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC[C@H](C)CC2)n[nH]1 ZINC001130247002 938772216 /nfs/dbraw/zinc/77/22/16/938772216.db2.gz QGEFNQINSRSIHN-VGWMRTNUSA-N 1 1 361.490 1.895 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(C2CC2)C2CC2)[nH]1 ZINC001130251374 938774598 /nfs/dbraw/zinc/77/45/98/938774598.db2.gz QQQPAOCZJXOTAF-RDJZCZTQSA-N 1 1 371.485 1.343 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)CCOC)n1 ZINC001130251525 938774951 /nfs/dbraw/zinc/77/49/51/938774951.db2.gz ZBBALPTZIIAIPN-KKUMJFAQSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)CCOC)n[nH]1 ZINC001130251525 938774953 /nfs/dbraw/zinc/77/49/53/938774953.db2.gz ZBBALPTZIIAIPN-KKUMJFAQSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)n1 ZINC001130253985 938775576 /nfs/dbraw/zinc/77/55/76/938775576.db2.gz ZLVUUHUYSBVKKY-SOBDKHKFSA-N 1 1 371.485 1.361 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)n[nH]1 ZINC001130253985 938775578 /nfs/dbraw/zinc/77/55/78/938775578.db2.gz ZLVUUHUYSBVKKY-SOBDKHKFSA-N 1 1 371.485 1.361 20 30 FDEDMO C=CC[C@@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccncc1 ZINC000805809997 938830837 /nfs/dbraw/zinc/83/08/37/938830837.db2.gz BEFBQRSLXCPEAR-FUHWJXTLSA-N 1 1 374.485 1.432 20 30 FDEDMO C=CCOCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001130426981 938844900 /nfs/dbraw/zinc/84/49/00/938844900.db2.gz KZNOMKIWLDDGFT-DDBAPUKQSA-N 1 1 374.485 1.585 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCCOCC)C[C@H]1c1cn(C)cn1 ZINC001130522322 938897213 /nfs/dbraw/zinc/89/72/13/938897213.db2.gz AGYFDRSINIMZMD-GOEBONIOSA-N 1 1 354.882 1.873 20 30 FDEDMO Cc1nc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2c2cn(C)cn2)co1 ZINC001130594641 939901789 /nfs/dbraw/zinc/90/17/89/939901789.db2.gz SNZNKMRMYJGGGQ-FUHWJXTLSA-N 1 1 369.469 1.850 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1c1cn(C)cn1 ZINC001130614688 939911933 /nfs/dbraw/zinc/91/19/33/939911933.db2.gz BGSDCUHAIVHDMQ-PKOBYXMFSA-N 1 1 369.513 1.203 20 30 FDEDMO C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn3cncc3c2)C[C@H]1c1cn(C)cn1 ZINC001130621942 939931523 /nfs/dbraw/zinc/93/15/23/939931523.db2.gz HZTIEDQKOXJIRR-PKOBYXMFSA-N 1 1 362.437 1.289 20 30 FDEDMO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1 ZINC000806808518 940060497 /nfs/dbraw/zinc/06/04/97/940060497.db2.gz GTXALLCHJAFWSY-LZLYRXPVSA-N 1 1 374.485 1.964 20 30 FDEDMO C=CCCCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COC)n[nH]2)O1 ZINC001130753254 940062579 /nfs/dbraw/zinc/06/25/79/940062579.db2.gz ZGCIJSTXTXUPQY-LSDHHAIUSA-N 1 1 365.478 1.623 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)OC)n[nH]2)O1 ZINC001130761620 940067386 /nfs/dbraw/zinc/06/73/86/940067386.db2.gz DJIUSSVCHRKEPJ-MELADBBJSA-N 1 1 351.451 1.232 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)OCCCC)n[nH]2)O1 ZINC001130762282 940070063 /nfs/dbraw/zinc/07/00/63/940070063.db2.gz QYVQJUVJFVYVMT-QLFBSQMISA-N 1 1 365.478 1.622 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCOC(C)C)n[nH]2)O1 ZINC001130757944 940082702 /nfs/dbraw/zinc/08/27/02/940082702.db2.gz MSPAYMHEODMPDS-UONOGXRCSA-N 1 1 351.451 1.232 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CO[C@@H](C)CC)n[nH]2)O1 ZINC001130774970 940091840 /nfs/dbraw/zinc/09/18/40/940091840.db2.gz HDMXBXYFNRLWTD-SOUVJXGZSA-N 1 1 363.462 1.069 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCCOC)n[nH]2)O1 ZINC001130767449 940100541 /nfs/dbraw/zinc/10/05/41/940100541.db2.gz JEYFLNYFHQPFMK-UONOGXRCSA-N 1 1 351.451 1.233 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C=CC(C)(C)C)n[nH]2)O1 ZINC001130767605 940102304 /nfs/dbraw/zinc/10/23/04/940102304.db2.gz OKUDSCVBXUZCQS-LWLVDVGCSA-N 1 1 359.474 1.856 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)COC)n[nH]2)O1 ZINC001130770200 940108481 /nfs/dbraw/zinc/10/84/81/940108481.db2.gz XIILZSCXGJBQJX-SOUVJXGZSA-N 1 1 365.478 1.479 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cncc(C)c3)n[nH]2)O1 ZINC001130772425 940112181 /nfs/dbraw/zinc/11/21/81/940112181.db2.gz MHODESFTUMIFSX-JKSUJKDBSA-N 1 1 370.457 1.824 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3ccon3)n[nH]2)O1 ZINC001130776391 940124555 /nfs/dbraw/zinc/12/45/55/940124555.db2.gz CHTBRRRCDBTTKO-UONOGXRCSA-N 1 1 360.418 1.037 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c(C)ccn3C)n[nH]2)O1 ZINC001130776399 940124983 /nfs/dbraw/zinc/12/49/83/940124983.db2.gz CTWZKSIBIXRSJI-LSDHHAIUSA-N 1 1 370.457 1.215 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CC(F)(F)C3)n[nH]2)O1 ZINC001130776635 940126201 /nfs/dbraw/zinc/12/62/01/940126201.db2.gz JDTZZPGABVLJID-QWHCGFSZSA-N 1 1 367.400 1.299 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3CCCCO3)n[nH]2)O1 ZINC001130776655 940126269 /nfs/dbraw/zinc/12/62/69/940126269.db2.gz KDLLEWJCADLFBC-SOUVJXGZSA-N 1 1 363.462 1.376 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COCCCC)n[nH]2)O1 ZINC001130776807 940126954 /nfs/dbraw/zinc/12/69/54/940126954.db2.gz LZQJPJMCEXOOEO-UONOGXRCSA-N 1 1 351.451 1.233 20 30 FDEDMO 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FDEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cncc(N4CCCC4)n3)[C@H]2C1 ZINC001083215138 775680405 /nfs/dbraw/zinc/68/04/05/775680405.db2.gz JOBHJYILIIWGQO-DLBZAZTESA-N 1 1 357.458 1.178 20 30 FDEDMO C=C(C)C[C@H](CO)NC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000891412758 776938175 /nfs/dbraw/zinc/93/81/75/776938175.db2.gz QPMPCHMYWMDXRF-QGZVFWFLSA-N 1 1 374.485 1.210 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2c(C)nnn2CC)C1 ZINC000971555449 777594073 /nfs/dbraw/zinc/59/40/73/777594073.db2.gz GCHARBUWKZXNSI-JZXOWHBKSA-N 1 1 361.490 1.620 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2c(C)nnn2CC)C1 ZINC000971555449 777594088 /nfs/dbraw/zinc/59/40/88/777594088.db2.gz GCHARBUWKZXNSI-JZXOWHBKSA-N 1 1 361.490 1.620 20 30 FDEDMO C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3C#N)C2)CC1 ZINC000376747733 790634562 /nfs/dbraw/zinc/63/45/62/790634562.db2.gz IOUUEFBBGYVKDY-FUHWJXTLSA-N 1 1 371.485 1.235 20 30 FDEDMO C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@@H]3C2)cn1 ZINC001022211257 778640072 /nfs/dbraw/zinc/64/00/72/778640072.db2.gz PPEBYXNFAQCKBL-HHXXYDBFSA-N 1 1 366.465 1.078 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)CC[N@H+]1C ZINC000971706094 778745373 /nfs/dbraw/zinc/74/53/73/778745373.db2.gz OTKGHCIXXMDYFP-CYGHRXIMSA-N 1 1 369.469 1.290 20 30 FDEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)NCC#CCO)[C@@H]1c1ccc(F)c(F)c1 ZINC000923773245 778931971 /nfs/dbraw/zinc/93/19/71/778931971.db2.gz HMOOVADJXDMRNH-IRXDYDNUSA-N 1 1 351.397 1.784 20 30 FDEDMO CC(C)[N@H+]1CC[C@H](NC(=O)NCC#CCO)[C@@H]1c1ccc(F)c(F)c1 ZINC000923773245 778931976 /nfs/dbraw/zinc/93/19/76/778931976.db2.gz HMOOVADJXDMRNH-IRXDYDNUSA-N 1 1 351.397 1.784 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cccn4)c3)[C@H]2C1 ZINC001083224966 779230970 /nfs/dbraw/zinc/23/09/70/779230970.db2.gz YZAPNCDGPULPRS-RBUKOAKNSA-N 1 1 352.438 1.974 20 30 FDEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cccn4)c3)[C@H]2C1 ZINC001083224966 779230973 /nfs/dbraw/zinc/23/09/73/779230973.db2.gz YZAPNCDGPULPRS-RBUKOAKNSA-N 1 1 352.438 1.974 20 30 FDEDMO COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCCO4)[C@@H]3C2)cc1C#N ZINC001075525909 790717923 /nfs/dbraw/zinc/71/79/23/790717923.db2.gz WKZYQFOGOOLMOG-WDYCEAGBSA-N 1 1 355.438 1.779 20 30 FDEDMO C[NH+]1CCN(C(=O)CCNC(=O)Nc2ccc(C#N)cc2C2CC2)CC1 ZINC000933837568 779831986 /nfs/dbraw/zinc/83/19/86/779831986.db2.gz SPGGTZUCPUFFQK-UHFFFAOYSA-N 1 1 355.442 1.721 20 30 FDEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3NC(=O)c4ccccc43)[C@H]2C1 ZINC001083229591 779968608 /nfs/dbraw/zinc/96/86/08/779968608.db2.gz INZQUYKRKODQOS-CEXWTWQISA-N 1 1 369.465 1.739 20 30 FDEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000971851425 779988089 /nfs/dbraw/zinc/98/80/89/779988089.db2.gz POLNKYSFZRYDBU-ZTFGCOKTSA-N 1 1 369.469 1.434 20 30 FDEDMO C[C@H](CNC(=O)N1CCO[C@@](C)(C#N)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000891924969 780225281 /nfs/dbraw/zinc/22/52/81/780225281.db2.gz ZLGMLHAJHWCKQL-XLIONFOSSA-N 1 1 371.485 1.521 20 30 FDEDMO CO[C@H]1C[C@@H](C(=O)Nc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)[N@H+](C)C1 ZINC000329000047 780263495 /nfs/dbraw/zinc/26/34/95/780263495.db2.gz HIZZZTCWNNKJDV-IKGGRYGDSA-N 1 1 361.442 1.591 20 30 FDEDMO CO[C@H]1C[C@@H](C(=O)Nc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)[N@@H+](C)C1 ZINC000329000047 780263500 /nfs/dbraw/zinc/26/35/00/780263500.db2.gz HIZZZTCWNNKJDV-IKGGRYGDSA-N 1 1 361.442 1.591 20 30 FDEDMO CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2cccnc2C#N)CC1 ZINC000276971933 780374448 /nfs/dbraw/zinc/37/44/48/780374448.db2.gz FWMAAAVJQZBJLG-UHFFFAOYSA-N 1 1 371.466 1.896 20 30 FDEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510968680 780445636 /nfs/dbraw/zinc/44/56/36/780445636.db2.gz NPXGUGCPERBZQM-OLZOCXBDSA-N 1 1 374.407 1.718 20 30 FDEDMO CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001022568615 781183071 /nfs/dbraw/zinc/18/30/71/781183071.db2.gz VNZHWRNDWOISSD-HRCADAONSA-N 1 1 357.458 1.616 20 30 FDEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc4c3OCCCO4)[C@H]2C1 ZINC001083234198 781205607 /nfs/dbraw/zinc/20/56/07/781205607.db2.gz QUZKQCGBUHIUJS-FUHWJXTLSA-N 1 1 358.438 1.949 20 30 FDEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([C@@H]3CCCN(CC#N)CC3)CC2)O1 ZINC001075454093 783476769 /nfs/dbraw/zinc/47/67/69/783476769.db2.gz LBVRAKTXKRWIRG-ZHALLVOQSA-N 1 1 362.518 1.570 20 30 FDEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([C@@H]3CCCN(CC#N)CC3)CC2)O1 ZINC001075454093 783476774 /nfs/dbraw/zinc/47/67/74/783476774.db2.gz LBVRAKTXKRWIRG-ZHALLVOQSA-N 1 1 362.518 1.570 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375785586 783596961 /nfs/dbraw/zinc/59/69/61/783596961.db2.gz BUWFMDMXIFQUGT-SJORKVTESA-N 1 1 365.474 1.557 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375785586 783596965 /nfs/dbraw/zinc/59/69/65/783596965.db2.gz BUWFMDMXIFQUGT-SJORKVTESA-N 1 1 365.474 1.557 20 30 FDEDMO C=CCn1c([C@@H]2CCO[C@H]2C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000647371352 783731276 /nfs/dbraw/zinc/73/12/76/783731276.db2.gz OUWANDWUNNXNSY-GVDBMIGSSA-N 1 1 361.490 1.515 20 30 FDEDMO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001024120395 783756899 /nfs/dbraw/zinc/75/68/99/783756899.db2.gz AWFOSYOGCWHWBT-QLFBSQMISA-N 1 1 371.909 1.327 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ccc(C)cc3)C[C@H]21 ZINC000972834599 783901010 /nfs/dbraw/zinc/90/10/10/783901010.db2.gz ARUZGONMXPIWOW-HSALFYBXSA-N 1 1 365.477 1.766 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ccc(C)cc3)C[C@H]21 ZINC000972834599 783901015 /nfs/dbraw/zinc/90/10/15/783901015.db2.gz ARUZGONMXPIWOW-HSALFYBXSA-N 1 1 365.477 1.766 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3CC4(CC4)C3)C[C@H]21 ZINC000972835179 783903409 /nfs/dbraw/zinc/90/34/09/783903409.db2.gz PSKURLPOYSEOAI-BPQIPLTHSA-N 1 1 355.482 1.334 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3CC4(CC4)C3)C[C@H]21 ZINC000972835179 783903412 /nfs/dbraw/zinc/90/34/12/783903412.db2.gz PSKURLPOYSEOAI-BPQIPLTHSA-N 1 1 355.482 1.334 20 30 FDEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](OC)c1ccc(F)cc1)C2 ZINC001111485177 783989920 /nfs/dbraw/zinc/98/99/20/783989920.db2.gz KEYPCPQCXKAGJY-YRXWBPOGSA-N 1 1 360.429 1.885 20 30 FDEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](OC)c1ccc(F)cc1)C2 ZINC001111485177 783989921 /nfs/dbraw/zinc/98/99/21/783989921.db2.gz KEYPCPQCXKAGJY-YRXWBPOGSA-N 1 1 360.429 1.885 20 30 FDEDMO C=CCNC(=O)c1ccc(NC(=O)C(=O)N(CC)[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000658466455 784104800 /nfs/dbraw/zinc/10/48/00/784104800.db2.gz HEDZVXODVUMUHG-QGZVFWFLSA-N 1 1 372.469 1.484 20 30 FDEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccc4c(c3)OCCO4)[C@H]2C1 ZINC001083267006 785063285 /nfs/dbraw/zinc/06/32/85/785063285.db2.gz DRVSRAMCMVQNSF-QFBILLFUSA-N 1 1 358.438 1.488 20 30 FDEDMO N#Cc1ncn(C2CC[NH+](CC(=O)NCc3cc(F)cc(F)c3)CC2)n1 ZINC000375917961 785293542 /nfs/dbraw/zinc/29/35/42/785293542.db2.gz DMLZWLWSXPLXHU-UHFFFAOYSA-N 1 1 360.368 1.381 20 30 FDEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001024650696 785619247 /nfs/dbraw/zinc/61/92/47/785619247.db2.gz IYRFHNKAOXIMHB-OKZBNKHCSA-N 1 1 361.486 1.150 20 30 FDEDMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC001024652606 785626567 /nfs/dbraw/zinc/62/65/67/785626567.db2.gz QSEOGFASYNBGBP-GBESFXJTSA-N 1 1 368.481 1.753 20 30 FDEDMO C=CCOc1ccc(C(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)cc1OC ZINC000413923988 785809528 /nfs/dbraw/zinc/80/95/28/785809528.db2.gz RTHZAQQZQBWFPN-HNNXBMFYSA-N 1 1 362.426 1.437 20 30 FDEDMO C[C@H]1CCOCC[N@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000376149922 786011814 /nfs/dbraw/zinc/01/18/14/786011814.db2.gz KFMYOMKVKQWKQR-LPHOPBHVSA-N 1 1 374.460 1.645 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCc3nc(C)no3)C[C@H]21 ZINC000978709616 805684258 /nfs/dbraw/zinc/68/42/58/805684258.db2.gz AUBQMHMMJDRBLL-MTSZKFMLSA-N 1 1 360.458 1.196 20 30 FDEDMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC000978718973 805693566 /nfs/dbraw/zinc/69/35/66/805693566.db2.gz LCGBHFAOUCOKRR-LJDSDSDDSA-N 1 1 365.477 1.056 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC000978729130 805718067 /nfs/dbraw/zinc/71/80/67/805718067.db2.gz IRLFLHCASUTLTH-UEDWAMCQSA-N 1 1 370.497 1.605 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC000978729130 805718070 /nfs/dbraw/zinc/71/80/70/805718070.db2.gz IRLFLHCASUTLTH-UEDWAMCQSA-N 1 1 370.497 1.605 20 30 FDEDMO COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn3c2C[C@H](C)CC3)C1 ZINC001111958574 787417203 /nfs/dbraw/zinc/41/72/03/787417203.db2.gz NEVLIGUVEAZLIB-WWMYMODYSA-N 1 1 370.497 1.700 20 30 FDEDMO 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/nfs/dbraw/zinc/82/50/61/815825061.db2.gz RDQQAFRYSZDSES-HHXXYDBFSA-N 1 1 369.465 1.612 20 30 FDEDMO C[NH+](C)CCN1CCC(CNC(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000435002431 815869255 /nfs/dbraw/zinc/86/92/55/815869255.db2.gz DBUWKHHNKZLLPY-UHFFFAOYSA-N 1 1 354.498 1.980 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4coc(CC)n4)[C@@H]3C2)C1=O ZINC001075714993 815932774 /nfs/dbraw/zinc/93/27/74/815932774.db2.gz PCBKSBLPWUTLIX-CWRNSKLLSA-N 1 1 358.442 1.170 20 30 FDEDMO C=CCCc1ccccc1NC(=O)C(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000505673966 816018305 /nfs/dbraw/zinc/01/83/05/816018305.db2.gz ZWPGIWXFNWQZHK-QGZVFWFLSA-N 1 1 372.513 1.886 20 30 FDEDMO CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1C#N ZINC000435833009 816197567 /nfs/dbraw/zinc/19/75/67/816197567.db2.gz DBDKJHWKTPJYBI-OAHLLOKOSA-N 1 1 356.426 1.637 20 30 FDEDMO CCN1CC[NH+](CCCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000505776903 816378553 /nfs/dbraw/zinc/37/85/53/816378553.db2.gz LQEDIYCRQSGAGN-LJQANCHMSA-N 1 1 366.506 1.392 20 30 FDEDMO C=CCn1cc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)nn1 ZINC000425541686 816489354 /nfs/dbraw/zinc/48/93/54/816489354.db2.gz PWLNUMNJNCVHRY-YJBOKZPZSA-N 1 1 354.458 1.926 20 30 FDEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000425544524 816508137 /nfs/dbraw/zinc/50/81/37/816508137.db2.gz POIJHJUELPGEJQ-OAHLLOKOSA-N 1 1 370.453 1.613 20 30 FDEDMO C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001087466479 816603656 /nfs/dbraw/zinc/60/36/56/816603656.db2.gz VCYFDYNDSMNHNS-MBOZVWFJSA-N 1 1 359.445 1.812 20 30 FDEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000425656358 816817123 /nfs/dbraw/zinc/81/71/23/816817123.db2.gz SFIYIBXLLRYTNS-OAHLLOKOSA-N 1 1 357.458 1.425 20 30 FDEDMO COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 ZINC000425806880 817091532 /nfs/dbraw/zinc/09/15/32/817091532.db2.gz RPPPIJZDWSHLKH-UHFFFAOYSA-N 1 1 370.453 1.017 20 30 FDEDMO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000506129781 817335814 /nfs/dbraw/zinc/33/58/14/817335814.db2.gz CHXKUUVHONZBDK-ZDUSSCGKSA-N 1 1 372.450 1.665 20 30 FDEDMO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000506129781 817335824 /nfs/dbraw/zinc/33/58/24/817335824.db2.gz CHXKUUVHONZBDK-ZDUSSCGKSA-N 1 1 372.450 1.665 20 30 FDEDMO CCOc1ccc(C#N)cc1NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000437831298 817360921 /nfs/dbraw/zinc/36/09/21/817360921.db2.gz BDEMSLGWQTWQCI-SFHVURJKSA-N 1 1 362.430 1.162 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000366682826 817440063 /nfs/dbraw/zinc/44/00/63/817440063.db2.gz ZLNKPPWMSXEMHC-FHWLQOOXSA-N 1 1 364.534 1.637 20 30 FDEDMO C[C@H]1CC[N@@H+](CCNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000894422892 818038360 /nfs/dbraw/zinc/03/83/60/818038360.db2.gz OEUDMNFVRCDSOV-YJBOKZPZSA-N 1 1 369.469 1.300 20 30 FDEDMO C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cc(C)n(C)n2)C1 ZINC001087473217 818207026 /nfs/dbraw/zinc/20/70/26/818207026.db2.gz SNHPWHAPPUKJLD-ICSRJNTNSA-N 1 1 366.465 1.958 20 30 FDEDMO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cc(C)n(C)n2)C1 ZINC001087473217 818207030 /nfs/dbraw/zinc/20/70/30/818207030.db2.gz SNHPWHAPPUKJLD-ICSRJNTNSA-N 1 1 366.465 1.958 20 30 FDEDMO C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2nn(C)cc2C)C1 ZINC001087473959 818244368 /nfs/dbraw/zinc/24/43/68/818244368.db2.gz DLJNIESEWVMOLM-OALUTQOASA-N 1 1 366.465 1.958 20 30 FDEDMO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2nn(C)cc2C)C1 ZINC001087473959 818244374 /nfs/dbraw/zinc/24/43/74/818244374.db2.gz DLJNIESEWVMOLM-OALUTQOASA-N 1 1 366.465 1.958 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C/C=C(/C)C=C)C[C@H]1C(F)(F)F ZINC001112148629 818421735 /nfs/dbraw/zinc/42/17/35/818421735.db2.gz VSPHHOFYWMTYHA-MFICBBFYSA-N 1 1 371.403 1.626 20 30 FDEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)Cn3cnc(C#N)n3)cc2)C1 ZINC000426868463 818576595 /nfs/dbraw/zinc/57/65/95/818576595.db2.gz GZFGWHSMFVXKJO-CQSZACIVSA-N 1 1 354.414 1.509 20 30 FDEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000729476214 818864554 /nfs/dbraw/zinc/86/45/54/818864554.db2.gz CYLAQYLHQMYIJO-OAHLLOKOSA-N 1 1 352.479 1.937 20 30 FDEDMO C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000983737568 818907906 /nfs/dbraw/zinc/90/79/06/818907906.db2.gz XNVWJTJEVOBSBZ-CPUCHLNUSA-N 1 1 357.458 1.195 20 30 FDEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC2CC2)C[C@H]1C(F)(F)F ZINC001112149820 818909216 /nfs/dbraw/zinc/90/92/16/818909216.db2.gz UIQRCIGVBJOGSM-ZIAGYGMSSA-N 1 1 361.408 1.848 20 30 FDEDMO N#Cc1ccc(C[NH+]2CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])CC2)cc1 ZINC000520267628 819282500 /nfs/dbraw/zinc/28/25/00/819282500.db2.gz UHGMCUFQFWCUBM-UHFFFAOYSA-N 1 1 365.393 1.888 20 30 FDEDMO CNC(=O)c1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)cc1 ZINC001075776245 819384785 /nfs/dbraw/zinc/38/47/85/819384785.db2.gz CZNKWTQKXVEPAR-RBUKOAKNSA-N 1 1 351.450 1.492 20 30 FDEDMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN(C2CC2)C(=O)C1 ZINC000328705672 819538211 /nfs/dbraw/zinc/53/82/11/819538211.db2.gz LEHYGOBZGJRHBJ-KRWDZBQOSA-N 1 1 356.470 1.872 20 30 FDEDMO CC[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000328737859 819541185 /nfs/dbraw/zinc/54/11/85/819541185.db2.gz LXQDUKSVRBTIJY-KZNAEPCWSA-N 1 1 373.501 1.617 20 30 FDEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](n3ncc(N(C)C(C)C)cc3=O)C2)C1=O ZINC000328765398 819545946 /nfs/dbraw/zinc/54/59/46/819545946.db2.gz DYRBVJJDHBHPEH-FUHWJXTLSA-N 1 1 373.501 1.512 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](n3ncc(N(C)C(C)C)cc3=O)C2)C1=O ZINC000328765398 819545952 /nfs/dbraw/zinc/54/59/52/819545952.db2.gz DYRBVJJDHBHPEH-FUHWJXTLSA-N 1 1 373.501 1.512 20 30 FDEDMO CCn1nncc1C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000328886749 819577061 /nfs/dbraw/zinc/57/70/61/819577061.db2.gz ZWTJCYYKNRSGFY-UHFFFAOYSA-N 1 1 356.430 1.712 20 30 FDEDMO CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000328984607 819605077 /nfs/dbraw/zinc/60/50/77/819605077.db2.gz ZILJRYJWVFHHHL-CVEARBPZSA-N 1 1 362.478 1.458 20 30 FDEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](CNC(N)=O)C2)C[C@H](C)O1 ZINC000330476492 819616122 /nfs/dbraw/zinc/61/61/22/819616122.db2.gz KQYHIVZKZDQZEI-QLFBSQMISA-N 1 1 369.510 1.583 20 30 FDEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H](CNC(N)=O)C2)C[C@H](C)O1 ZINC000330476492 819616129 /nfs/dbraw/zinc/61/61/29/819616129.db2.gz KQYHIVZKZDQZEI-QLFBSQMISA-N 1 1 369.510 1.583 20 30 FDEDMO Cc1c(NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cccc1N(C)C ZINC000330698933 819630230 /nfs/dbraw/zinc/63/02/30/819630230.db2.gz XBAYBOUBWZZGHT-UHFFFAOYSA-N 1 1 361.490 1.940 20 30 FDEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C)n(C)n3)[C@H]2CC)C1=O ZINC001087514646 820281334 /nfs/dbraw/zinc/28/13/34/820281334.db2.gz HLFSTZSZEQUDRL-USXIJHARSA-N 1 1 359.474 1.098 20 30 FDEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000520766300 820656420 /nfs/dbraw/zinc/65/64/20/820656420.db2.gz RMKHMQZMWALKBD-FUHWJXTLSA-N 1 1 372.469 1.418 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCc3ccnn3C)C[C@H]21 ZINC001075807541 820876726 /nfs/dbraw/zinc/87/67/26/820876726.db2.gz HUKPHRNXIKRHBL-AITUJVMLSA-N 1 1 358.486 1.477 20 30 FDEDMO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[N@H+]1C ZINC000442167942 821074143 /nfs/dbraw/zinc/07/41/43/821074143.db2.gz PYBXADTVKVSCDO-JQWIXIFHSA-N 1 1 366.368 1.697 20 30 FDEDMO C[N@H+]1CC[C@@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 ZINC000521358831 821229153 /nfs/dbraw/zinc/22/91/53/821229153.db2.gz BEQOQILSJWDCTP-CQSZACIVSA-N 1 1 352.442 1.327 20 30 FDEDMO C=CCC[C@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)OCC ZINC000521560526 821292772 /nfs/dbraw/zinc/29/27/72/821292772.db2.gz CBFVTAQKBLCZDQ-FXAWDEMLSA-N 1 1 360.454 1.638 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001087592462 821636639 /nfs/dbraw/zinc/63/66/39/821636639.db2.gz NOBQWSVSWGIODI-UHOFOFEASA-N 1 1 360.483 1.567 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nccc(C)n2)[C@@H]1CC ZINC001087607148 821714516 /nfs/dbraw/zinc/71/45/16/821714516.db2.gz NSYMUQWOXQQDRR-KSZLIROESA-N 1 1 355.486 1.352 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nccc(C)n2)[C@@H]1CC ZINC001087607148 821714519 /nfs/dbraw/zinc/71/45/19/821714519.db2.gz NSYMUQWOXQQDRR-KSZLIROESA-N 1 1 355.486 1.352 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3onc(C)c3C)[C@H]2CC)C1=O ZINC001087616853 821759643 /nfs/dbraw/zinc/75/96/43/821759643.db2.gz SIXNYHVBFKWWAT-XHSDSOJGSA-N 1 1 360.458 1.661 20 30 FDEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3onc(C)c3C)[C@H]2CC)C1=O ZINC001087616853 821759648 /nfs/dbraw/zinc/75/96/48/821759648.db2.gz SIXNYHVBFKWWAT-XHSDSOJGSA-N 1 1 360.458 1.661 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)c2cnc[nH]c2=O)CC[N@@H+]1Cc1ccccc1C#N ZINC001087617267 821763689 /nfs/dbraw/zinc/76/36/89/821763689.db2.gz PLTBHVZBINNAPX-DLBZAZTESA-N 1 1 351.410 1.837 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)c2cnc[nH]c2=O)CC[N@H+]1Cc1ccccc1C#N ZINC001087617267 821763700 /nfs/dbraw/zinc/76/37/00/821763700.db2.gz PLTBHVZBINNAPX-DLBZAZTESA-N 1 1 351.410 1.837 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)c2cnc[nH]c2=O)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087617187 821764011 /nfs/dbraw/zinc/76/40/11/821764011.db2.gz LVABPPOTQXUOKB-DLBZAZTESA-N 1 1 351.410 1.837 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087635232 821853670 /nfs/dbraw/zinc/85/36/70/821853670.db2.gz QJDJLXBLGGOAAF-FGTMMUONSA-N 1 1 354.454 1.554 20 30 FDEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@H]1CC ZINC001087642207 821883608 /nfs/dbraw/zinc/88/36/08/821883608.db2.gz ATQPEIQNNCGDJO-GOEBONIOSA-N 1 1 358.442 1.961 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001087669269 821971651 /nfs/dbraw/zinc/97/16/51/821971651.db2.gz XQPAZNYYDUZLGV-WAOWUJCRSA-N 1 1 371.456 1.673 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001087669269 821971652 /nfs/dbraw/zinc/97/16/52/821971652.db2.gz XQPAZNYYDUZLGV-WAOWUJCRSA-N 1 1 371.456 1.673 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC(=O)CC2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087673381 821984767 /nfs/dbraw/zinc/98/47/67/821984767.db2.gz JQRBGTFAJFEROS-GBESFXJTSA-N 1 1 368.481 1.944 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001087685479 822031513 /nfs/dbraw/zinc/03/15/13/822031513.db2.gz PMXPVAMQXUZLJG-HYVNUMGLSA-N 1 1 358.417 1.303 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001087691215 822052003 /nfs/dbraw/zinc/05/20/03/822052003.db2.gz GGRCYQVPKWVOGT-NMDDUFOESA-N 1 1 369.465 1.928 20 30 FDEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C(C)(F)F)C[C@H]1C(F)(F)F ZINC001112167010 822145186 /nfs/dbraw/zinc/14/51/86/822145186.db2.gz CVZNBKQCXYKEQU-GMTAPVOTSA-N 1 1 371.350 1.559 20 30 FDEDMO 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YTJNMUSIZHVYDK-HXUWFJFHSA-N 1 1 370.497 1.610 20 30 FDEDMO Cc1nc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)sc1Br ZINC000921742495 897447230 /nfs/dbraw/zinc/44/72/30/897447230.db2.gz MQGRZOXETPXQKW-QBFSEMIESA-N 1 1 371.260 1.830 20 30 FDEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CNC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12 ZINC000995267019 897632645 /nfs/dbraw/zinc/63/26/45/897632645.db2.gz CEAJZCDSKNJWMT-MBOZVWFJSA-N 1 1 369.469 1.482 20 30 FDEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1O ZINC001078026753 897634704 /nfs/dbraw/zinc/63/47/04/897634704.db2.gz UESCIOBEGLGJID-QZTJIDSGSA-N 1 1 351.406 1.069 20 30 FDEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1O ZINC001078026753 897634716 /nfs/dbraw/zinc/63/47/16/897634716.db2.gz UESCIOBEGLGJID-QZTJIDSGSA-N 1 1 351.406 1.069 20 30 FDEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1O ZINC001078027707 897656962 /nfs/dbraw/zinc/65/69/62/897656962.db2.gz DKGPEOVWKZRZQK-RTBURBONSA-N 1 1 371.481 1.839 20 30 FDEDMO Cc1ccc(F)c(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)c1 ZINC001078044634 897741020 /nfs/dbraw/zinc/74/10/20/897741020.db2.gz FDGXICDAIIHOFU-WOJBJXKFSA-N 1 1 367.424 1.910 20 30 FDEDMO Cc1ccc(F)c(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)c1 ZINC001078044634 897741028 /nfs/dbraw/zinc/74/10/28/897741028.db2.gz FDGXICDAIIHOFU-WOJBJXKFSA-N 1 1 367.424 1.910 20 30 FDEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1O ZINC001078082872 897911783 /nfs/dbraw/zinc/91/17/83/897911783.db2.gz XXVSTOWRYWJPTI-NJDAHSKKSA-N 1 1 364.445 1.105 20 30 FDEDMO CCOc1ccccc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001078107300 897990212 /nfs/dbraw/zinc/99/02/12/897990212.db2.gz WBONFWCERUGBLO-RTBURBONSA-N 1 1 365.433 1.932 20 30 FDEDMO CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001078107300 897990218 /nfs/dbraw/zinc/99/02/18/897990218.db2.gz WBONFWCERUGBLO-RTBURBONSA-N 1 1 365.433 1.932 20 30 FDEDMO C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2N(C(=O)C#CC2CC2)CC3)CC[N@H+]1C ZINC000995317903 898369503 /nfs/dbraw/zinc/36/95/03/898369503.db2.gz RIHQQFBELBJJMG-QTQZEZTPSA-N 1 1 357.498 1.627 20 30 FDEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O ZINC001078228569 898438013 /nfs/dbraw/zinc/43/80/13/898438013.db2.gz VXTRPTCNNCGWFG-GUDVDZBRSA-N 1 1 356.470 1.094 20 30 FDEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC34CCOCC4)C2)c1 ZINC001078292517 898674241 /nfs/dbraw/zinc/67/42/41/898674241.db2.gz LZDITJQTQCTTQW-RCCFBDPRSA-N 1 1 355.438 1.036 20 30 FDEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC34CCOCC4)C2)c1 ZINC001078292517 898674252 /nfs/dbraw/zinc/67/42/52/898674252.db2.gz LZDITJQTQCTTQW-RCCFBDPRSA-N 1 1 355.438 1.036 20 30 FDEDMO C#CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000921836903 898992574 /nfs/dbraw/zinc/99/25/74/898992574.db2.gz JEHBQTFAZMERTE-AYOQOUSVSA-N 1 1 357.454 1.656 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000943654776 899131067 /nfs/dbraw/zinc/13/10/67/899131067.db2.gz QMYURCJVVXKSFS-ATIWLJMLSA-N 1 1 363.502 1.605 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000944307303 900123503 /nfs/dbraw/zinc/12/35/03/900123503.db2.gz SJAHIOQRWNAIDI-AVEIZBFRSA-N 1 1 363.502 1.415 20 30 FDEDMO C=CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nsc(N(C)C)n2)[C@H](C)C1 ZINC001107062188 900442301 /nfs/dbraw/zinc/44/23/01/900442301.db2.gz CBNWIRCSNBXRIQ-MGPQQGTHSA-N 1 1 367.519 1.379 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001006183099 900937210 /nfs/dbraw/zinc/93/72/10/900937210.db2.gz FYGPCYACGUMKFI-OIISXLGYSA-N 1 1 360.458 1.136 20 30 FDEDMO C[C@@H]1[C@H](C(=O)N2CCC3(CCN(c4cnc(C#N)cn4)C3)CC2)CC[N@H+]1C ZINC001063604300 901024387 /nfs/dbraw/zinc/02/43/87/901024387.db2.gz QOYQIMGGDOBIAT-NVXWUHKLSA-N 1 1 368.485 1.507 20 30 FDEDMO CC#CCN1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](n2ccnn2)C1 ZINC001129307435 901048448 /nfs/dbraw/zinc/04/84/48/901048448.db2.gz AUCNPIKPSWVBMT-SJORKVTESA-N 1 1 369.473 1.053 20 30 FDEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2CN(c3cccc(F)c3C#N)CCO2)CC[N@H+]1C ZINC001063670354 901090686 /nfs/dbraw/zinc/09/06/86/901090686.db2.gz HRRQDWULDFXNRL-QLFBSQMISA-N 1 1 360.433 1.359 20 30 FDEDMO C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(c4ccc(C#N)nn4)C3)C2)CC[N@H+]1C ZINC001064650399 901520978 /nfs/dbraw/zinc/52/09/78/901520978.db2.gz XMPAHJBREOKUKN-OGWOLHLISA-N 1 1 354.458 1.117 20 30 FDEDMO C=CCn1c(Cc2noc(C[N@@H+](C)CCC)n2)nnc1N1CCOCC1 ZINC000350632286 901607225 /nfs/dbraw/zinc/60/72/25/901607225.db2.gz CFMXVMNRGMGMMD-UHFFFAOYSA-N 1 1 361.450 1.116 20 30 FDEDMO C=CCn1c(Cc2noc(C[N@H+](C)CCC)n2)nnc1N1CCOCC1 ZINC000350632286 901607237 /nfs/dbraw/zinc/60/72/37/901607237.db2.gz CFMXVMNRGMGMMD-UHFFFAOYSA-N 1 1 361.450 1.116 20 30 FDEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)C(C3CC3)C3CC3)[C@@H](O)C2)cc1 ZINC001083933828 901889896 /nfs/dbraw/zinc/88/98/96/901889896.db2.gz UHSLIZKVCMGRNH-MOPGFXCFSA-N 1 1 369.465 1.686 20 30 FDEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](NC(=O)C(C3CC3)C3CC3)[C@@H](O)C2)cc1 ZINC001083933828 901889907 /nfs/dbraw/zinc/88/99/07/901889907.db2.gz UHSLIZKVCMGRNH-MOPGFXCFSA-N 1 1 369.465 1.686 20 30 FDEDMO CC[C@@H]1C[C@H]1C(=O)N1CC[NH+]([C@H]2CCN(c3ccc(C#N)nc3)C2)CC1 ZINC001065197861 901905797 /nfs/dbraw/zinc/90/57/97/901905797.db2.gz CJSMIOPLJSWQGP-AYOQOUSVSA-N 1 1 353.470 1.722 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(=O)[nH]n2)C1 ZINC001079126019 901925170 /nfs/dbraw/zinc/92/51/70/901925170.db2.gz PAIARMFHDOMZRU-QZTJIDSGSA-N 1 1 368.437 1.446 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(OC)no2)C1 ZINC001079131429 901942281 /nfs/dbraw/zinc/94/22/81/901942281.db2.gz SEMOGZIBDJXNGQ-IAGOWNOFSA-N 1 1 371.437 1.947 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(OC)no2)C1 ZINC001079131429 901942285 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/nfs/dbraw/zinc/03/18/54/902031854.db2.gz AIVNQZWEQBNGNP-MJUUVYJYSA-N 1 1 371.525 1.977 20 30 FDEDMO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c(C)nc[nH]c2=O)C1 ZINC001079141670 902034148 /nfs/dbraw/zinc/03/41/48/902034148.db2.gz RPIJSAOFJAPGBO-IAGOWNOFSA-N 1 1 368.437 1.364 20 30 FDEDMO C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]nnc3C2)C[C@H]1c1cccc(F)c1 ZINC001079207206 902114396 /nfs/dbraw/zinc/11/43/96/902114396.db2.gz SZJKHFYEVXMNGF-URLQWDBASA-N 1 1 367.428 1.266 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NCC#N)C2)CC[N@H+]1C ZINC001079185273 902129152 /nfs/dbraw/zinc/12/91/52/902129152.db2.gz GTCKMRPHYVWFKK-INDMIFKZSA-N 1 1 358.461 1.964 20 30 FDEDMO Cc1cc(C[NH+]2CCC3(CN(C(=O)C#CC4CC4)[C@@H]4COC[C@@H]43)CC2)no1 ZINC001079240755 902190036 /nfs/dbraw/zinc/19/00/36/902190036.db2.gz BGWJICWELARZQG-RBUKOAKNSA-N 1 1 369.465 1.836 20 30 FDEDMO Cc1nnc(C[NH+]2CCC3(CN(C(=O)C#CC4CC4)[C@@H]4COC[C@@H]43)CC2)o1 ZINC001079241144 902191930 /nfs/dbraw/zinc/19/19/30/902191930.db2.gz LYDXRXRAQGAKSX-DLBZAZTESA-N 1 1 370.453 1.231 20 30 FDEDMO C=C(Cl)C[NH+]1CCC2(CN(C(=O)c3cnn(C)c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079221520 902221518 /nfs/dbraw/zinc/22/15/18/902221518.db2.gz DPIJAVRIBQEQMD-JKSUJKDBSA-N 1 1 364.877 1.726 20 30 FDEDMO C[C@H](C#N)C(=O)N1CC2(CC[NH+](Cc3ccn(C)n3)CC2)[C@H]2COC[C@H]21 ZINC001079228450 902243977 /nfs/dbraw/zinc/24/39/77/902243977.db2.gz MUJXPDLFZVGWSZ-HYVNUMGLSA-N 1 1 357.458 1.019 20 30 FDEDMO C=C(Cl)C[NH+]1CCC2(CN(C(=O)c3ccncn3)[C@@H]3COC[C@@H]32)CC1 ZINC001079265541 902312241 /nfs/dbraw/zinc/31/22/41/902312241.db2.gz OHRACDAAZKGJDY-GOEBONIOSA-N 1 1 362.861 1.782 20 30 FDEDMO C#CC[NH+]1CCC2(CN(C(=O)c3c[nH]cc4ncnc3-4)[C@@H]3COC[C@@H]32)CC1 ZINC001079243081 902340074 /nfs/dbraw/zinc/34/00/74/902340074.db2.gz JWNBIOCOYIDHPB-DOTOQJQBSA-N 1 1 365.437 1.144 20 30 FDEDMO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]nnc3C2)C[C@H]1c1ccccc1F ZINC001079318708 902419144 /nfs/dbraw/zinc/41/91/44/902419144.db2.gz 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C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2C2CCC2)n1 ZINC001130242410 938769524 /nfs/dbraw/zinc/76/95/24/938769524.db2.gz VTYNNXMNFWEUDQ-NXOAAHMSSA-N 1 1 373.501 1.895 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]2C2CCC2)n[nH]1 ZINC001130242410 938769526 /nfs/dbraw/zinc/76/95/26/938769526.db2.gz VTYNNXMNFWEUDQ-NXOAAHMSSA-N 1 1 373.501 1.895 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H](C)COC)n1 ZINC001130246723 938772065 /nfs/dbraw/zinc/77/20/65/938772065.db2.gz NRTFUIFFASFTDC-ILXRZTDVSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H](C)COC)n[nH]1 ZINC001130246723 938772066 /nfs/dbraw/zinc/77/20/66/938772066.db2.gz NRTFUIFFASFTDC-ILXRZTDVSA-N 1 1 365.478 1.132 20 30 FDEDMO COCC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001130401819 938836772 /nfs/dbraw/zinc/83/67/72/938836772.db2.gz NVNNQZUUISIROW-WRWLIDTKSA-N 1 1 356.470 1.655 20 30 FDEDMO C=C(Br)C[NH2+][C@@H]1CN(C(=O)CCOC)C[C@H]1c1cn(C)cn1 ZINC001130471140 938872127 /nfs/dbraw/zinc/87/21/27/938872127.db2.gz QPPLMIANKMCCEK-GXTWGEPZSA-N 1 1 371.279 1.249 20 30 FDEDMO C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)[nH]n2)C[C@H]1c1cn(C)cn1 ZINC001130502371 938885272 /nfs/dbraw/zinc/88/52/72/938885272.db2.gz JQNWKDRVESOCLG-MAUKXSAKSA-N 1 1 356.474 1.870 20 30 FDEDMO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747325414 939901108 /nfs/dbraw/zinc/90/11/08/939901108.db2.gz IZCYFOZTKANUDH-CABCVRRESA-N 1 1 354.410 1.843 20 30 FDEDMO C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001130602581 939914056 /nfs/dbraw/zinc/91/40/56/939914056.db2.gz JFHLLPOEOHSFJR-GOEBONIOSA-N 1 1 357.462 1.287 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2(COC)CCC2)C[C@H]1c1cn(C)cn1 ZINC001130632897 939936569 /nfs/dbraw/zinc/93/65/69/939936569.db2.gz VQTPDOGEUOVGTA-GOEBONIOSA-N 1 1 366.893 1.873 20 30 FDEDMO CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nccn2C)C1 ZINC001130644133 939952496 /nfs/dbraw/zinc/95/24/96/939952496.db2.gz IQZOSYPUEFRVCQ-FUHWJXTLSA-N 1 1 368.485 1.431 20 30 FDEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(F)F)n[nH]2)O1 ZINC001130749948 940057099 /nfs/dbraw/zinc/05/70/99/940057099.db2.gz WDXROYVDYCXXLR-SDDRHHMPSA-N 1 1 357.405 1.850 20 30 FDEDMO C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C=C(C)C)n[nH]2)O1 ZINC001130752884 940060047 /nfs/dbraw/zinc/06/00/47/940060047.db2.gz GMIRWLAEEMTSGE-LSDHHAIUSA-N 1 1 363.462 1.399 20 30 FDEDMO C=CCCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1 ZINC001130761564 940067536 /nfs/dbraw/zinc/06/75/36/940067536.db2.gz AVZTZKMPLCIJOS-MELADBBJSA-N 1 1 369.441 1.181 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(Cl)c[nH]3)n[nH]2)O1 ZINC001130756577 940079523 /nfs/dbraw/zinc/07/95/23/940079523.db2.gz OWOUCUAUAKAANW-WCQYABFASA-N 1 1 362.821 1.159 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(Cl)c[nH]3)n[nH]2)O1 ZINC001130756733 940080469 /nfs/dbraw/zinc/08/04/69/940080469.db2.gz XVYXWPAMAZHQEW-WCQYABFASA-N 1 1 364.837 1.712 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CCCCO3)n[nH]2)O1 ZINC001130775439 940092601 /nfs/dbraw/zinc/09/26/01/940092601.db2.gz WJAVXXWDRRHJIA-ZNMIVQPWSA-N 1 1 363.462 1.376 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H](C)C(C)C)n[nH]2)O1 ZINC001130767346 940100767 /nfs/dbraw/zinc/10/07/67/940100767.db2.gz FRZNSOWWIZVOLM-OWCLPIDISA-N 1 1 361.490 1.936 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COCC=C)n[nH]2)O1 ZINC001130767472 940101394 /nfs/dbraw/zinc/10/13/94/940101394.db2.gz JVTCGGYMHRFZDN-LSDHHAIUSA-N 1 1 363.462 1.399 20 30 FDEDMO C=CCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C[C@H](F)CC)O2)n1 ZINC001130767603 940102140 /nfs/dbraw/zinc/10/21/40/940102140.db2.gz OJWKLXYIGNWRRU-HZSPNIEDSA-N 1 1 353.442 1.945 20 30 FDEDMO C=CCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C[C@@H](C)OC)O2)n1 ZINC001130767883 940102798 /nfs/dbraw/zinc/10/27/98/940102798.db2.gz VISFPOLBBGPNAW-HZSPNIEDSA-N 1 1 351.451 1.232 20 30 FDEDMO CCC(CC)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)C#N)n[nH]2)O1 ZINC001130769322 940105678 /nfs/dbraw/zinc/10/56/78/940105678.db2.gz CGWFBMGXRLCGHI-VHDGCEQUSA-N 1 1 362.478 1.826 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C#N)c[nH]3)n[nH]2)O1 ZINC001130769993 940108218 /nfs/dbraw/zinc/10/82/18/940108218.db2.gz SYFDSGUIQDDLSD-DZGCQCFKSA-N 1 1 369.429 1.320 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC(C)(C)C=C)n[nH]2)O1 ZINC001130785277 940120143 /nfs/dbraw/zinc/12/01/43/940120143.db2.gz JEKZWRIDGKAXSQ-LSDHHAIUSA-N 1 1 359.474 1.856 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CC(F)(F)C3)n[nH]2)O1 ZINC001130776798 940126366 /nfs/dbraw/zinc/12/63/66/940126366.db2.gz LTRRTICUIPATPD-QWHCGFSZSA-N 1 1 369.416 1.852 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](CC)SC)n[nH]2)O1 ZINC001130776620 940126426 /nfs/dbraw/zinc/12/64/26/940126426.db2.gz IMVNCEPLXMYJDH-YNEHKIRRSA-N 1 1 353.492 1.558 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COC(C)(C)C)n[nH]2)O1 ZINC001130776819 940126883 /nfs/dbraw/zinc/12/68/83/940126883.db2.gz MPYQATLOCSEYBU-UONOGXRCSA-N 1 1 363.462 1.069 20 30 FDEDMO C=CCOCCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n1 ZINC001130777170 940128006 /nfs/dbraw/zinc/12/80/06/940128006.db2.gz VBLCRWKBAMFQAC-LSDHHAIUSA-N 1 1 365.478 1.622 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3[nH]ccc3C)n[nH]2)O1 ZINC001130780749 940135082 /nfs/dbraw/zinc/13/50/82/940135082.db2.gz AAJLWOQYGLVJRL-UONOGXRCSA-N 1 1 358.446 1.757 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccncc3C)n[nH]2)O1 ZINC001130781348 940137118 /nfs/dbraw/zinc/13/71/18/940137118.db2.gz ZXAWFUCAXHHZRH-GOEBONIOSA-N 1 1 370.457 1.824 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3nccc(C)n3)n[nH]2)O1 ZINC001130783228 940142984 /nfs/dbraw/zinc/14/29/84/940142984.db2.gz RAMHQWCRHOMPBW-UONOGXRCSA-N 1 1 371.445 1.219 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)c(C)cn3)n[nH]2)O1 ZINC001130794111 940145523 /nfs/dbraw/zinc/14/55/23/940145523.db2.gz MRVJFUVGLMPUFJ-GOEBONIOSA-N 1 1 370.457 1.742 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](OC)C(C)C)n[nH]2)O1 ZINC001130804258 940175497 /nfs/dbraw/zinc/17/54/97/940175497.db2.gz BDAJCWWWVVEGSX-LZWOXQAQSA-N 1 1 365.478 1.478 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3C[C@H]3CC(C)C)n[nH]2)O1 ZINC001130806694 940181303 /nfs/dbraw/zinc/18/13/03/940181303.db2.gz IWGQFAWSTKJDMO-YYIAUSFCSA-N 1 1 373.501 1.936 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@]34C[C@@H]3CCCC4)n[nH]2)O1 ZINC001130806898 940181553 /nfs/dbraw/zinc/18/15/53/940181553.db2.gz MCUKENMDYUNEKI-ZTENYAIWSA-N 1 1 359.474 1.997 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC(C)(F)F)n[nH]2)O1 ZINC001130809420 940188475 /nfs/dbraw/zinc/18/84/75/940188475.db2.gz XLAMMNXFAAEBRM-NWDGAFQWSA-N 1 1 355.389 1.299 20 30 FDEDMO C=CCCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCOC)O2)n1 ZINC001130799544 940193210 /nfs/dbraw/zinc/19/32/10/940193210.db2.gz MEGNSWMLMGSXOJ-LSDHHAIUSA-N 1 1 365.478 1.623 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)C(F)(F)F)n[nH]2)O1 ZINC001130799658 940194395 /nfs/dbraw/zinc/19/43/95/940194395.db2.gz QPZJRJIKIPQENE-OUAUKWLOSA-N 1 1 359.352 1.062 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(C(F)F)CCC3)n[nH]2)O1 ZINC001130802080 940196055 /nfs/dbraw/zinc/19/60/55/940196055.db2.gz AXSZVLGNNZNBND-NWDGAFQWSA-N 1 1 369.416 1.852 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC3CC(C)(C)C3)n[nH]2)O1 ZINC001130802166 940196158 /nfs/dbraw/zinc/19/61/58/940196158.db2.gz FWTHEWQROBIHEW-LSDHHAIUSA-N 1 1 359.474 1.690 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(C3CC3)C3CC3)n[nH]2)O1 ZINC001130817245 940221745 /nfs/dbraw/zinc/22/17/45/940221745.db2.gz IDRMKBYEELGFIL-JKSUJKDBSA-N 1 1 371.485 1.690 20 30 FDEDMO 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C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC=C)C[C@H]32)cc1 ZINC001189359719 966944726 /nfs/dbraw/zinc/94/47/26/966944726.db2.gz ZAANRRONQPHIFE-PKOBYXMFSA-N 1 1 367.449 1.147 20 30 FDEDMO C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC=C)C[C@H]32)cc1 ZINC001189359719 966944731 /nfs/dbraw/zinc/94/47/31/966944731.db2.gz ZAANRRONQPHIFE-PKOBYXMFSA-N 1 1 367.449 1.147 20 30 FDEDMO CN(C)C(=O)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001189367618 966949509 /nfs/dbraw/zinc/94/95/09/966949509.db2.gz SEXAEYRKRIDQQT-DOTOQJQBSA-N 1 1 358.417 1.208 20 30 FDEDMO CN(C)C(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001189367618 966949513 /nfs/dbraw/zinc/94/95/13/966949513.db2.gz SEXAEYRKRIDQQT-DOTOQJQBSA-N 1 1 358.417 1.208 20 30 FDEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4nc[nH]c43)[C@@H]2C1 ZINC001189506514 967016943 /nfs/dbraw/zinc/01/69/43/967016943.db2.gz DXLCYEJASYHRLF-XJKSGUPXSA-N 1 1 353.426 1.011 20 30 FDEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc4nc[nH]c43)[C@@H]2C1 ZINC001189506514 967016952 /nfs/dbraw/zinc/01/69/52/967016952.db2.gz DXLCYEJASYHRLF-XJKSGUPXSA-N 1 1 353.426 1.011 20 30 FDEDMO C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)[C@@H]2C1 ZINC001189584089 967086512 /nfs/dbraw/zinc/08/65/12/967086512.db2.gz NRBIWEFDQLAFFG-XYJFISCASA-N 1 1 359.474 1.427 20 30 FDEDMO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3ccn(C)c3)n[nH]1)C2 ZINC001110644452 967104190 /nfs/dbraw/zinc/10/41/90/967104190.db2.gz MWNGGWJPUSUKSM-SUMDDJOVSA-N 1 1 369.469 1.953 20 30 FDEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CN(C)S(=O)(=O)CC)[C@@H]2C1 ZINC001189627920 967126881 /nfs/dbraw/zinc/12/68/81/967126881.db2.gz BYTQCOWRBCQXMT-OWCLPIDISA-N 1 1 357.520 1.155 20 30 FDEDMO C#C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@H]1CCCO1 ZINC000852259738 967162988 /nfs/dbraw/zinc/16/29/88/967162988.db2.gz KOHGAGHJRKDWNP-SLFFLAALSA-N 1 1 370.497 1.283 20 30 FDEDMO C#C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@H]1CCCO1 ZINC000852259738 967162996 /nfs/dbraw/zinc/16/29/96/967162996.db2.gz KOHGAGHJRKDWNP-SLFFLAALSA-N 1 1 370.497 1.283 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3oc(CC)nc3C)[C@@H]2C1 ZINC001189652225 967163643 /nfs/dbraw/zinc/16/36/43/967163643.db2.gz FRIPFEROPJJZBW-QLFBSQMISA-N 1 1 360.458 1.382 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3oc(CC)nc3C)[C@@H]2C1 ZINC001189652225 967163649 /nfs/dbraw/zinc/16/36/49/967163649.db2.gz FRIPFEROPJJZBW-QLFBSQMISA-N 1 1 360.458 1.382 20 30 FDEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)c3ccc(C)s3)[C@@H]2C1 ZINC001189787494 967268972 /nfs/dbraw/zinc/26/89/72/967268972.db2.gz ONLBSBFWUYDMPI-HRCADAONSA-N 1 1 359.495 1.442 20 30 FDEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)c3ccc(C)s3)[C@@H]2C1 ZINC001189787494 967268977 /nfs/dbraw/zinc/26/89/77/967268977.db2.gz ONLBSBFWUYDMPI-HRCADAONSA-N 1 1 359.495 1.442 20 30 FDEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852436892 967307848 /nfs/dbraw/zinc/30/78/48/967307848.db2.gz PCYVEFOLWGVNKV-IOSXPMGOSA-N 1 1 362.474 1.832 20 30 FDEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852436892 967307859 /nfs/dbraw/zinc/30/78/59/967307859.db2.gz PCYVEFOLWGVNKV-IOSXPMGOSA-N 1 1 362.474 1.832 20 30 FDEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3nn(C)c4ccccc43)[C@@H]2C1 ZINC001189864844 967315629 /nfs/dbraw/zinc/31/56/29/967315629.db2.gz IQMAUHLZRPUNNF-WMLDXEAASA-N 1 1 367.453 1.022 20 30 FDEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3nn(C)c4ccccc43)[C@@H]2C1 ZINC001189864844 967315639 /nfs/dbraw/zinc/31/56/39/967315639.db2.gz IQMAUHLZRPUNNF-WMLDXEAASA-N 1 1 367.453 1.022 20 30 FDEDMO N#CCCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852475043 967359201 /nfs/dbraw/zinc/35/92/01/967359201.db2.gz XTDREWGSWBKYKE-UONOGXRCSA-N 1 1 374.407 1.672 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCc3ccccc3)[C@@H]2C1 ZINC001189923233 967386725 /nfs/dbraw/zinc/38/67/25/967386725.db2.gz MSRGRRNZBWKLGQ-NZSAHSFTSA-N 1 1 355.482 1.843 20 30 FDEDMO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852525915 967395544 /nfs/dbraw/zinc/39/55/44/967395544.db2.gz AYZBPBPKYKQWSZ-WRSVWVKZSA-N 1 1 350.463 1.736 20 30 FDEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852525915 967395554 /nfs/dbraw/zinc/39/55/54/967395554.db2.gz AYZBPBPKYKQWSZ-WRSVWVKZSA-N 1 1 350.463 1.736 20 30 FDEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)cc3)[C@@H]2C1 ZINC001189931244 967432425 /nfs/dbraw/zinc/43/24/25/967432425.db2.gz YIXXCBJTVCARRZ-DLBZAZTESA-N 1 1 370.453 1.153 20 30 FDEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)cc3)[C@@H]2C1 ZINC001189931244 967432432 /nfs/dbraw/zinc/43/24/32/967432432.db2.gz YIXXCBJTVCARRZ-DLBZAZTESA-N 1 1 370.453 1.153 20 30 FDEDMO COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000852586086 967448307 /nfs/dbraw/zinc/44/83/07/967448307.db2.gz CCDZWOVHILWTGF-OAHLLOKOSA-N 1 1 362.474 1.882 20 30 FDEDMO COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccc4c[nH]nc4c3)[C@@H]2C1 ZINC001189978539 967473169 /nfs/dbraw/zinc/47/31/69/967473169.db2.gz HYGYBKDNGSNEGZ-PKOBYXMFSA-N 1 1 352.438 1.288 20 30 FDEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccccc3OC)[C@@H]2C1 ZINC001190050832 967517217 /nfs/dbraw/zinc/51/72/17/967517217.db2.gz MOEMYCKQYHGVHE-DLBZAZTESA-N 1 1 357.454 1.073 20 30 FDEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccccc3OC)[C@@H]2C1 ZINC001190050832 967517226 /nfs/dbraw/zinc/51/72/26/967517226.db2.gz MOEMYCKQYHGVHE-DLBZAZTESA-N 1 1 357.454 1.073 20 30 FDEDMO COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn4c(cccc4C)n3)[C@@H]2C1 ZINC001190090731 967529351 /nfs/dbraw/zinc/52/93/51/967529351.db2.gz SEBVFPDQQAXMDH-FUHWJXTLSA-N 1 1 352.438 1.439 20 30 FDEDMO COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cn4c(cccc4C)n3)[C@@H]2C1 ZINC001190090731 967529354 /nfs/dbraw/zinc/52/93/54/967529354.db2.gz SEBVFPDQQAXMDH-FUHWJXTLSA-N 1 1 352.438 1.439 20 30 FDEDMO COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)COc3ccccc3)[C@@H]2C1 ZINC001190202800 967657106 /nfs/dbraw/zinc/65/71/06/967657106.db2.gz DILDSBDOENQESQ-CMKODMSKSA-N 1 1 356.466 1.884 20 30 FDEDMO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(CC=C)C1=O ZINC001110424820 967667798 /nfs/dbraw/zinc/66/77/98/967667798.db2.gz ZDJZRLWJJNCZFK-BDXSIMOUSA-N 1 1 361.486 1.478 20 30 FDEDMO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(CC=C)C1=O ZINC001110424820 967667803 /nfs/dbraw/zinc/66/78/03/967667803.db2.gz ZDJZRLWJJNCZFK-BDXSIMOUSA-N 1 1 361.486 1.478 20 30 FDEDMO CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC#Cc3ccccc3)[C@@H]2C1 ZINC001190305349 967721135 /nfs/dbraw/zinc/72/11/35/967721135.db2.gz NJTZFTORPCBVLK-RBUKOAKNSA-N 1 1 353.466 1.439 20 30 FDEDMO CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC#Cc3ccccc3)[C@@H]2C1 ZINC001190305349 967721144 /nfs/dbraw/zinc/72/11/44/967721144.db2.gz NJTZFTORPCBVLK-RBUKOAKNSA-N 1 1 353.466 1.439 20 30 FDEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cncc4ccccc43)[C@@H]2C1 ZINC001190319213 967732524 /nfs/dbraw/zinc/73/25/24/967732524.db2.gz ZHCRTDBXVRYVBM-QFBILLFUSA-N 1 1 362.433 1.131 20 30 FDEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cncc4ccccc43)[C@@H]2C1 ZINC001190319213 967732534 /nfs/dbraw/zinc/73/25/34/967732534.db2.gz ZHCRTDBXVRYVBM-QFBILLFUSA-N 1 1 362.433 1.131 20 30 FDEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)c3ccccc3C)[C@@H]2C1 ZINC001190281473 967734109 /nfs/dbraw/zinc/73/41/09/967734109.db2.gz IVVKURVYSBGSIG-ZIFCJYIRSA-N 1 1 353.466 1.381 20 30 FDEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)c3ccccc3C)[C@@H]2C1 ZINC001190281473 967734117 /nfs/dbraw/zinc/73/41/17/967734117.db2.gz IVVKURVYSBGSIG-ZIFCJYIRSA-N 1 1 353.466 1.381 20 30 FDEDMO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NCCCC ZINC001110425866 967738465 /nfs/dbraw/zinc/73/84/65/967738465.db2.gz ZZBUUSGHJJUNDT-MLHJIOFPSA-N 1 1 365.518 1.996 20 30 FDEDMO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NCCCC ZINC001110425866 967738469 /nfs/dbraw/zinc/73/84/69/967738469.db2.gz ZZBUUSGHJJUNDT-MLHJIOFPSA-N 1 1 365.518 1.996 20 30 FDEDMO CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC#Cc3ccccc3)[C@@H]2C1 ZINC001190290115 967740588 /nfs/dbraw/zinc/74/05/88/967740588.db2.gz JVTNXPPRMNGQPA-YZGWKJHDSA-N 1 1 367.493 1.876 20 30 FDEDMO CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC#Cc3ccccc3)[C@@H]2C1 ZINC001190290115 967740594 /nfs/dbraw/zinc/74/05/94/967740594.db2.gz JVTNXPPRMNGQPA-YZGWKJHDSA-N 1 1 367.493 1.876 20 30 FDEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)CNC(=O)C3CCC3)[C@@H]2C1 ZINC001190332982 967756881 /nfs/dbraw/zinc/75/68/81/967756881.db2.gz FAAYHAZXDPDRPR-RBUKOAKNSA-N 1 1 366.465 1.507 20 30 FDEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)C3CCC3)[C@@H]2C1 ZINC001190332982 967756895 /nfs/dbraw/zinc/75/68/95/967756895.db2.gz FAAYHAZXDPDRPR-RBUKOAKNSA-N 1 1 366.465 1.507 20 30 FDEDMO 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C[C@H]1CSCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000182792495 535864037 /nfs/dbraw/zinc/86/40/37/535864037.db2.gz PJFUWFLUFGAGEN-GJZGRUSLSA-N 1 1 364.540 1.894 20 30 FDEDMO C[C@H]1CSCC[N@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000182792495 535864044 /nfs/dbraw/zinc/86/40/44/535864044.db2.gz PJFUWFLUFGAGEN-GJZGRUSLSA-N 1 1 364.540 1.894 20 30 FDEDMO CCN(CCC#N)C(=O)C[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000182988636 535899055 /nfs/dbraw/zinc/89/90/55/535899055.db2.gz UYDWFKVUXXFEET-UHFFFAOYSA-N 1 1 350.507 1.573 20 30 FDEDMO COCCC[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000183167360 535932446 /nfs/dbraw/zinc/93/24/46/535932446.db2.gz SVEWVCTXPFGJAC-OAHLLOKOSA-N 1 1 350.488 1.425 20 30 FDEDMO C[C@H](O)CC[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000183181863 535937867 /nfs/dbraw/zinc/93/78/67/535937867.db2.gz OAYABDALDWLKSK-YJBOKZPZSA-N 1 1 362.449 1.237 20 30 FDEDMO COc1cc(C#N)ccc1S(=O)(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000185493956 536210098 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FDEDMO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(C#N)c[nH]3)CC2)cc1 ZINC000267239074 536964639 /nfs/dbraw/zinc/96/46/39/536964639.db2.gz XGPBBIZYCVJPOO-UHFFFAOYSA-N 1 1 353.426 1.447 20 30 FDEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000246585332 536986402 /nfs/dbraw/zinc/98/64/02/536986402.db2.gz SLHIIZFHHVJYSM-RTBURBONSA-N 1 1 357.454 1.752 20 30 FDEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000246585332 536986404 /nfs/dbraw/zinc/98/64/04/536986404.db2.gz SLHIIZFHHVJYSM-RTBURBONSA-N 1 1 357.454 1.752 20 30 FDEDMO C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000268171443 537011924 /nfs/dbraw/zinc/01/19/24/537011924.db2.gz LSCFINSWIJSLEA-GUYCJALGSA-N 1 1 370.453 1.140 20 30 FDEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000269722249 537021799 /nfs/dbraw/zinc/02/17/99/537021799.db2.gz TUUNBIGRCDRMMZ-SFHVURJKSA-N 1 1 371.485 1.837 20 30 FDEDMO Cc1nsc(N2CCC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)n1 ZINC000246797552 537029659 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FDEDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C2)n1 ZINC000249681724 537240329 /nfs/dbraw/zinc/24/03/29/537240329.db2.gz DGSLEQWRHFYLNS-HZPDHXFCSA-N 1 1 357.458 1.801 20 30 FDEDMO CN(C[C@@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)C1)S(C)(=O)=O ZINC000285775866 537270654 /nfs/dbraw/zinc/27/06/54/537270654.db2.gz YKZGJAXWDYPHBO-INIZCTEOSA-N 1 1 351.472 1.540 20 30 FDEDMO Cc1cc(N2CCC(NS(=O)(=O)N(C)[C@@H](C)CC#N)CC2)nc(C)[nH+]1 ZINC000282396197 537325291 /nfs/dbraw/zinc/32/52/91/537325291.db2.gz YFRDMERNFXECBR-ZDUSSCGKSA-N 1 1 366.491 1.131 20 30 FDEDMO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)nc1 ZINC000293080071 537329279 /nfs/dbraw/zinc/32/92/79/537329279.db2.gz QKQSGSJQWGCAPO-UHFFFAOYSA-N 1 1 363.421 1.279 20 30 FDEDMO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000290429929 537349054 /nfs/dbraw/zinc/34/90/54/537349054.db2.gz QMXUXGVHRPYLTN-INIZCTEOSA-N 1 1 355.490 1.675 20 30 FDEDMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)C1 ZINC000333546453 537349205 /nfs/dbraw/zinc/34/92/05/537349205.db2.gz LWGLWMRIOWEGCK-GHTZIAJQSA-N 1 1 374.529 1.714 20 30 FDEDMO C[C@H](CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C[NH+]1CCOCC1 ZINC000293118628 537353789 /nfs/dbraw/zinc/35/37/89/537353789.db2.gz VGDMAOYLOUXMMB-WBVHZDCISA-N 1 1 373.457 1.084 20 30 FDEDMO C=CCOC[C@H]1NC(=O)N(Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1=O ZINC000348449240 537388143 /nfs/dbraw/zinc/38/81/43/537388143.db2.gz UDRCVXJNURGOHS-CRAIPNDOSA-N 1 1 373.453 1.530 20 30 FDEDMO C=CCOC[C@H]1NC(=O)N(Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1=O ZINC000348449240 537388148 /nfs/dbraw/zinc/38/81/48/537388148.db2.gz UDRCVXJNURGOHS-CRAIPNDOSA-N 1 1 373.453 1.530 20 30 FDEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1OCC(F)(F)F ZINC000293325505 537415547 /nfs/dbraw/zinc/41/55/47/537415547.db2.gz IZUYVYDUTQSBQI-UHFFFAOYSA-N 1 1 371.359 1.638 20 30 FDEDMO C=CCOc1ccccc1CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000287201265 537441424 /nfs/dbraw/zinc/44/14/24/537441424.db2.gz FUIGUULQVJMLCH-ZBFHGGJFSA-N 1 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1 1 373.497 1.727 20 30 FDEDMO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000566824799 547897758 /nfs/dbraw/zinc/89/77/58/547897758.db2.gz WYKAWJHDUXNCLY-UHFFFAOYSA-N 1 1 359.518 1.957 20 30 FDEDMO C[C@H]1COCC[N@H+]1C1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000567403008 548106146 /nfs/dbraw/zinc/10/61/46/548106146.db2.gz DFFDKKMPQMDDNT-OXJNMPFZSA-N 1 1 368.481 1.849 20 30 FDEDMO C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000567530478 548151705 /nfs/dbraw/zinc/15/17/05/548151705.db2.gz SOVATOVBDHRHPN-FQEVSTJZSA-N 1 1 370.453 1.095 20 30 FDEDMO C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1ccc(CC#N)cc1)c1ccsc1 ZINC000567838037 548284156 /nfs/dbraw/zinc/28/41/56/548284156.db2.gz IXVIEBVDPUKXGW-KRWDZBQOSA-N 1 1 370.478 1.849 20 30 FDEDMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000568623654 548611946 /nfs/dbraw/zinc/61/19/46/548611946.db2.gz SKLZBBKDRPZVSX-KRWDZBQOSA-N 1 1 351.472 1.283 20 30 FDEDMO C[NH+](C)CCn1ccc(=NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[nH]1 ZINC000568700801 548642203 /nfs/dbraw/zinc/64/22/03/548642203.db2.gz LRKRQNJNMHHNRX-UHFFFAOYSA-N 1 1 368.441 1.823 20 30 FDEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000569298351 548865238 /nfs/dbraw/zinc/86/52/38/548865238.db2.gz QXOYMWMVJGKIDP-RHSMWYFYSA-N 1 1 354.458 1.268 20 30 FDEDMO C[N@H+]1CCC[C@H]2CN(S(=O)(=O)Cc3ccc(F)cc3C#N)CC[C@@H]21 ZINC000569426762 548912657 /nfs/dbraw/zinc/91/26/57/548912657.db2.gz SZHCFSGWZORKHC-GUYCJALGSA-N 1 1 351.447 1.943 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000570088938 549154305 /nfs/dbraw/zinc/15/43/05/549154305.db2.gz SFGJCKQEMWCQQF-RDBSUJKOSA-N 1 1 353.463 1.686 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000570088938 549154310 /nfs/dbraw/zinc/15/43/10/549154310.db2.gz SFGJCKQEMWCQQF-RDBSUJKOSA-N 1 1 353.463 1.686 20 30 FDEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CC)c1 ZINC000570422956 549275074 /nfs/dbraw/zinc/27/50/74/549275074.db2.gz BZYVLYNPGVQPCG-HNNXBMFYSA-N 1 1 351.472 1.317 20 30 FDEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)C[C@@H]2CC)c1 ZINC000570422956 549275075 /nfs/dbraw/zinc/27/50/75/549275075.db2.gz BZYVLYNPGVQPCG-HNNXBMFYSA-N 1 1 351.472 1.317 20 30 FDEDMO C=CCc1ccc(OC[C@@H](O)CN2CCN(c3[nH]cc[nH+]3)CC2)c(OC)c1 ZINC000570525376 549312155 /nfs/dbraw/zinc/31/21/55/549312155.db2.gz JDNJMXFPAKFKQV-KRWDZBQOSA-N 1 1 372.469 1.709 20 30 FDEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@]23CCNC3=O)c(OC)c1 ZINC000571342027 549611449 /nfs/dbraw/zinc/61/14/49/549611449.db2.gz UBDRXBBVMJXEPR-UZLBHIALSA-N 1 1 360.454 1.518 20 30 FDEDMO N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000571345383 549612908 /nfs/dbraw/zinc/61/29/08/549612908.db2.gz PYBLPMRQVKWBJV-INIZCTEOSA-N 1 1 367.446 1.573 20 30 FDEDMO N#Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)n1 ZINC000572840187 550006693 /nfs/dbraw/zinc/00/66/93/550006693.db2.gz VGKUSGZQMHHJSQ-HNNXBMFYSA-N 1 1 367.409 1.828 20 30 FDEDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000573201962 550085924 /nfs/dbraw/zinc/08/59/24/550085924.db2.gz ISOMBBFAAJXFEB-UHFFFAOYSA-N 1 1 352.504 1.008 20 30 FDEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000574566992 550334527 /nfs/dbraw/zinc/33/45/27/550334527.db2.gz WYGUUNHVBCYMRG-SFHVURJKSA-N 1 1 369.446 1.727 20 30 FDEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000575137454 550432375 /nfs/dbraw/zinc/43/23/75/550432375.db2.gz YEUOHRVXWHSQSN-QGZVFWFLSA-N 1 1 363.483 1.742 20 30 FDEDMO Cc1c2cc(C#N)ccc2sc1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000575808781 550478448 /nfs/dbraw/zinc/47/84/48/550478448.db2.gz LGSGAHFGSBSXCZ-UHFFFAOYSA-N 1 1 370.478 1.975 20 30 FDEDMO N#Cc1c2c(cnc1N1CCC[N@@H+](CC(=O)N3CCCC3)CC1)CCC2 ZINC000576340823 550537244 /nfs/dbraw/zinc/53/72/44/550537244.db2.gz NQPAPUBKZBMSHF-UHFFFAOYSA-N 1 1 353.470 1.576 20 30 FDEDMO N#Cc1c2c(cnc1N1CCC[N@H+](CC(=O)N3CCCC3)CC1)CCC2 ZINC000576340823 550537245 /nfs/dbraw/zinc/53/72/45/550537245.db2.gz NQPAPUBKZBMSHF-UHFFFAOYSA-N 1 1 353.470 1.576 20 30 FDEDMO CCN1CC[NH+](CC(C)(C)NC(=O)Nc2snc(C)c2C#N)CC1 ZINC000576482407 550554046 /nfs/dbraw/zinc/55/40/46/550554046.db2.gz HVSKRMIHCYUBAI-UHFFFAOYSA-N 1 1 350.492 1.861 20 30 FDEDMO C[N@H+](CCNS(=O)(=O)c1ccccc1)CCOCc1ccc(C#N)cc1 ZINC000577141659 550624877 /nfs/dbraw/zinc/62/48/77/550624877.db2.gz KPCRXOMXPHAAMS-UHFFFAOYSA-N 1 1 373.478 1.985 20 30 FDEDMO C[N@@H+](CCNS(=O)(=O)c1ccccc1)CCOCc1ccc(C#N)cc1 ZINC000577141659 550624878 /nfs/dbraw/zinc/62/48/78/550624878.db2.gz KPCRXOMXPHAAMS-UHFFFAOYSA-N 1 1 373.478 1.985 20 30 FDEDMO CSC1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCN(C)CC1 ZINC000577276102 550639263 /nfs/dbraw/zinc/63/92/63/550639263.db2.gz PYEASWFKJDWSOA-UHFFFAOYSA-N 1 1 367.540 1.749 20 30 FDEDMO C=CCC[C@H](CO)NC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000577357366 550647292 /nfs/dbraw/zinc/64/72/92/550647292.db2.gz LWHQUCSVASTPKS-QRQLOZEOSA-N 1 1 361.486 1.902 20 30 FDEDMO C=CCC[C@H](CO)NC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000577357366 550647293 /nfs/dbraw/zinc/64/72/93/550647293.db2.gz LWHQUCSVASTPKS-QRQLOZEOSA-N 1 1 361.486 1.902 20 30 FDEDMO C=CCOc1cccc(CN2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000577709231 550685396 /nfs/dbraw/zinc/68/53/96/550685396.db2.gz DNXZMUGMYGEHLQ-UXHICEINSA-N 1 1 370.497 1.972 20 30 FDEDMO C[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)n1cnc(C#N)n1 ZINC000578060881 550724085 /nfs/dbraw/zinc/72/40/85/550724085.db2.gz QOUIPIYMKADGPH-BPQIPLTHSA-N 1 1 364.453 1.691 20 30 FDEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000578520388 550772346 /nfs/dbraw/zinc/77/23/46/550772346.db2.gz XSCAFTBYYQEJDQ-FRQCXROJSA-N 1 1 350.507 1.614 20 30 FDEDMO N#CCCn1cc(C[N@@H+]2CCN3CCOC[C@H]3C2)c(-c2ccncc2)n1 ZINC000578596615 550780253 /nfs/dbraw/zinc/78/02/53/550780253.db2.gz MPQQUJUFWGSXLJ-GOSISDBHSA-N 1 1 352.442 1.375 20 30 FDEDMO N#CCCn1cc(C[N@H+]2CCN3CCOC[C@H]3C2)c(-c2ccncc2)n1 ZINC000578596615 550780254 /nfs/dbraw/zinc/78/02/54/550780254.db2.gz MPQQUJUFWGSXLJ-GOSISDBHSA-N 1 1 352.442 1.375 20 30 FDEDMO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000578679460 550790068 /nfs/dbraw/zinc/79/00/68/550790068.db2.gz DPMRSBFJYSSOCN-UHFFFAOYSA-N 1 1 360.433 1.760 20 30 FDEDMO C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000579410373 550870611 /nfs/dbraw/zinc/87/06/11/550870611.db2.gz GSBXUZSSMNORIY-DZGCQCFKSA-N 1 1 365.503 1.039 20 30 FDEDMO C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000579410373 550870613 /nfs/dbraw/zinc/87/06/13/550870613.db2.gz GSBXUZSSMNORIY-DZGCQCFKSA-N 1 1 365.503 1.039 20 30 FDEDMO CC(C)(C#N)CCS(=O)(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000579932657 550924744 /nfs/dbraw/zinc/92/47/44/550924744.db2.gz RPEJXBXUKXWFHC-QGZVFWFLSA-N 1 1 365.499 1.265 20 30 FDEDMO CC(C)(C#N)CCS(=O)(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000579932657 550924745 /nfs/dbraw/zinc/92/47/45/550924745.db2.gz 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C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cnc3c(C#N)cnn3c2)C[C@@H](C)O1 ZINC000583631588 551379618 /nfs/dbraw/zinc/37/96/18/551379618.db2.gz KTGVKISQOCGPAL-RKVPGOIHSA-N 1 1 354.458 1.675 20 30 FDEDMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cnc3c(C#N)cnn3c2)C[C@@H](C)O1 ZINC000583631588 551379619 /nfs/dbraw/zinc/37/96/19/551379619.db2.gz KTGVKISQOCGPAL-RKVPGOIHSA-N 1 1 354.458 1.675 20 30 FDEDMO N#Cc1cccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)n1 ZINC000583692268 551388784 /nfs/dbraw/zinc/38/87/84/551388784.db2.gz RNTPBLDYMSPJGY-WMZOPIPTSA-N 1 1 365.437 1.958 20 30 FDEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H](N3CCCC3=O)CC2)cc1 ZINC000583739143 551394562 /nfs/dbraw/zinc/39/45/62/551394562.db2.gz RZAWXQHIGMBDAG-SFHVURJKSA-N 1 1 354.454 1.651 20 30 FDEDMO Cc1nnc([C@@H]2CC[N@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)[nH]1 ZINC000583739104 551394579 /nfs/dbraw/zinc/39/45/79/551394579.db2.gz ALKYYCHRKGDEDW-NVXWUHKLSA-N 1 1 350.426 1.970 20 30 FDEDMO C[C@@H](O)C[N@H+](CCO)CC(=O)Nc1ccccc1SC[C@@H](C)C#N 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COc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c(F)cc1C#N ZINC000599992476 553195629 /nfs/dbraw/zinc/19/56/29/553195629.db2.gz NWWWGOKTGIUMKT-LBPRGKRZSA-N 1 1 362.405 1.633 20 30 FDEDMO Cc1nc(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)ccc1C#N ZINC000600013365 553200665 /nfs/dbraw/zinc/20/06/65/553200665.db2.gz YKADHPYARDZXOX-MRXNPFEDSA-N 1 1 355.442 1.723 20 30 FDEDMO COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000600060539 553210476 /nfs/dbraw/zinc/21/04/76/553210476.db2.gz AKOGXFURUNZCPG-OAHLLOKOSA-N 1 1 356.426 1.638 20 30 FDEDMO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000600191066 553228979 /nfs/dbraw/zinc/22/89/79/553228979.db2.gz IIOJGGTVDPIHJX-IBGZPJMESA-N 1 1 369.425 1.623 20 30 FDEDMO N#CCn1c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc2ccccc21 ZINC000600234934 553234337 /nfs/dbraw/zinc/23/43/37/553234337.db2.gz ZEOYGLODHTZNTP-INIZCTEOSA-N 1 1 353.426 1.234 20 30 FDEDMO N#Cc1ccccc1COc1ccc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000600532830 553281609 /nfs/dbraw/zinc/28/16/09/553281609.db2.gz OKLHPYJHRYGADF-LJQANCHMSA-N 1 1 365.433 1.934 20 30 FDEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC000600846586 553321587 /nfs/dbraw/zinc/32/15/87/553321587.db2.gz QCQMXIPUZVFQEV-SFHVURJKSA-N 1 1 359.470 1.363 20 30 FDEDMO Cc1cc(C#N)cc(N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)n1 ZINC000601119728 553349695 /nfs/dbraw/zinc/34/96/95/553349695.db2.gz VYGZAGSPONDKKX-UHFFFAOYSA-N 1 1 371.485 1.317 20 30 FDEDMO C[NH+]1CCN(c2nc3ccccc3nc2N2CCN(CCC#N)CC2)CC1 ZINC000601261714 553365589 /nfs/dbraw/zinc/36/55/89/553365589.db2.gz LFZGIUURXBBXKO-UHFFFAOYSA-N 1 1 365.485 1.417 20 30 FDEDMO CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CCC[NH+](C)C ZINC000601307693 553373021 /nfs/dbraw/zinc/37/30/21/553373021.db2.gz DXZPELGOPVTLSJ-UHFFFAOYSA-N 1 1 352.504 1.203 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNS(=O)(=O)N(C)CCC#N ZINC000601482388 553417267 /nfs/dbraw/zinc/41/72/67/553417267.db2.gz UISGOQFCJQGKEC-WBVHZDCISA-N 1 1 350.488 1.434 20 30 FDEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000601524210 553428408 /nfs/dbraw/zinc/42/84/08/553428408.db2.gz YQVVYHNEEASSRP-WMZOPIPTSA-N 1 1 364.515 1.885 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCCn1cnc(C#N)n1 ZINC000601600367 553443339 /nfs/dbraw/zinc/44/33/39/553443339.db2.gz CDZBECKWQLTUDE-WBVHZDCISA-N 1 1 367.457 1.217 20 30 FDEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@H](O)CC2(O)CCOCC2)CC1 ZINC000601952595 553495636 /nfs/dbraw/zinc/49/56/36/553495636.db2.gz GFLUECGOMMPBHL-MOPGFXCFSA-N 1 1 359.470 1.161 20 30 FDEDMO C[N@H+]1CC[C@H](CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)C1 ZINC000602088301 553516977 /nfs/dbraw/zinc/51/69/77/553516977.db2.gz KVMHKCXEQIPHKJ-ZBFHGGJFSA-N 1 1 358.467 1.740 20 30 FDEDMO N#C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)CCO1 ZINC000602099733 553519173 /nfs/dbraw/zinc/51/91/73/553519173.db2.gz YJPRPAPLYSKKKX-GGPKGHCWSA-N 1 1 355.438 1.276 20 30 FDEDMO N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@@H+]3C3CCCC3)C2=O)cc1 ZINC000602146202 553528161 /nfs/dbraw/zinc/52/81/61/553528161.db2.gz HPYFXXAHPXVNOK-RBUKOAKNSA-N 1 1 366.465 1.792 20 30 FDEDMO N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@H+]3C3CCCC3)C2=O)cc1 ZINC000602146202 553528162 /nfs/dbraw/zinc/52/81/62/553528162.db2.gz HPYFXXAHPXVNOK-RBUKOAKNSA-N 1 1 366.465 1.792 20 30 FDEDMO CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000602149154 553529147 /nfs/dbraw/zinc/52/91/47/553529147.db2.gz ZNISOQQQKUDXPK-KRWDZBQOSA-N 1 1 365.437 1.795 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CC[C@@](O)(CC#N)C1 ZINC000602389719 553574568 /nfs/dbraw/zinc/57/45/68/553574568.db2.gz RHLHINXKRIUJGD-POAQFYNOSA-N 1 1 356.470 1.815 20 30 FDEDMO N#Cc1cccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)n1 ZINC000602621767 553613162 /nfs/dbraw/zinc/61/31/62/553613162.db2.gz QXMHFSOTWWENQP-UHFFFAOYSA-N 1 1 360.414 1.922 20 30 FDEDMO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000602730384 553628188 /nfs/dbraw/zinc/62/81/88/553628188.db2.gz BTCSMBBQOQOMIR-LJQANCHMSA-N 1 1 371.441 1.781 20 30 FDEDMO CNC(=O)c1cc(O[C@H]2CCC[N@H+](Cc3ccc(C#N)cn3)C2)ccn1 ZINC000602858543 553652446 /nfs/dbraw/zinc/65/24/46/553652446.db2.gz AWFXJDAYZVIPEN-KRWDZBQOSA-N 1 1 351.410 1.751 20 30 FDEDMO CNC(=O)c1cc(O[C@H]2CCC[N@@H+](Cc3ccc(C#N)cn3)C2)ccn1 ZINC000602858543 553652448 /nfs/dbraw/zinc/65/24/48/553652448.db2.gz AWFXJDAYZVIPEN-KRWDZBQOSA-N 1 1 351.410 1.751 20 30 FDEDMO CCN(CCC#N)C(=O)C[NH+]1CCC(NC(=O)c2ccc(C)cc2)CC1 ZINC000602931489 553672132 /nfs/dbraw/zinc/67/21/32/553672132.db2.gz ARPULLONZFKTFW-UHFFFAOYSA-N 1 1 356.470 1.951 20 30 FDEDMO C[C@](C#N)(NC(=O)C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)C1CC1 ZINC000603145118 553715410 /nfs/dbraw/zinc/71/54/10/553715410.db2.gz NBBLSVOYUNLMKW-HYVNUMGLSA-N 1 1 369.387 1.919 20 30 FDEDMO N#Cc1ccc(CNC(=O)C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC000603629294 553807617 /nfs/dbraw/zinc/80/76/17/553807617.db2.gz ZEEVHDALUSZMIZ-UHFFFAOYSA-N 1 1 354.454 1.509 20 30 FDEDMO N#Cc1ccsc1NC(=O)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000603832909 553819787 /nfs/dbraw/zinc/81/97/87/553819787.db2.gz BZCOUEZVEVFPJK-CQSZACIVSA-N 1 1 362.455 1.272 20 30 FDEDMO N#Cc1ccc(OC[C@H](O)CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000603848382 553821059 /nfs/dbraw/zinc/82/10/59/553821059.db2.gz PGJDQCKAHKJVIK-UYAOXDASSA-N 1 1 359.470 1.485 20 30 FDEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCN(C[C@H]3CCCO3)CC2)cc1 ZINC000603848382 553821060 /nfs/dbraw/zinc/82/10/60/553821060.db2.gz PGJDQCKAHKJVIK-UYAOXDASSA-N 1 1 359.470 1.485 20 30 FDEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCCN(C[C@H]3CCCO3)CC2)cc1 ZINC000603848382 553821061 /nfs/dbraw/zinc/82/10/61/553821061.db2.gz PGJDQCKAHKJVIK-UYAOXDASSA-N 1 1 359.470 1.485 20 30 FDEDMO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3cscn3)CC2)cc1 ZINC000608784370 554318988 /nfs/dbraw/zinc/31/89/88/554318988.db2.gz AQGARWOFFFOCHZ-SFHVURJKSA-N 1 1 372.494 1.767 20 30 FDEDMO N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000609100130 554337469 /nfs/dbraw/zinc/33/74/69/554337469.db2.gz RRVHZZGUMWYWHY-VQTJNVASSA-N 1 1 368.481 1.850 20 30 FDEDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc3ccccc3n2CC#N)CC1 ZINC000609163077 554345104 /nfs/dbraw/zinc/34/51/04/554345104.db2.gz RIXIPKZKRDTRRY-UHFFFAOYSA-N 1 1 353.426 1.105 20 30 FDEDMO CN1CC[NH+](CCCNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1 ZINC000609161085 554345167 /nfs/dbraw/zinc/34/51/67/554345167.db2.gz VRIWZFOKWDQHBD-IBGZPJMESA-N 1 1 355.486 1.281 20 30 FDEDMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cc(C#N)ccc2OC)CC1=O ZINC000609213768 554350502 /nfs/dbraw/zinc/35/05/02/554350502.db2.gz ICMHCHXASPQGEE-HOTGVXAUSA-N 1 1 370.453 1.838 20 30 FDEDMO COCC[N@H+]1CCC[C@H](NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1 ZINC000609268791 554353845 /nfs/dbraw/zinc/35/38/45/554353845.db2.gz BRVTUISIFWKACW-HNNXBMFYSA-N 1 1 360.458 1.435 20 30 FDEDMO COCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000609269422 554354140 /nfs/dbraw/zinc/35/41/40/554354140.db2.gz QDSLRAZAHQYOOG-HKUYNNGSSA-N 1 1 356.470 1.754 20 30 FDEDMO C[C@H](CNC(=O)NC1CCN(CC#N)CC1)[N@@H+]1CCc2sccc2C1 ZINC000609338188 554368534 /nfs/dbraw/zinc/36/85/34/554368534.db2.gz UDMIXBRQXZRCEE-CQSZACIVSA-N 1 1 361.515 1.782 20 30 FDEDMO C[C@H](CNC(=O)NC1CCN(CC#N)CC1)[N@H+]1CCc2sccc2C1 ZINC000609338188 554368535 /nfs/dbraw/zinc/36/85/35/554368535.db2.gz UDMIXBRQXZRCEE-CQSZACIVSA-N 1 1 361.515 1.782 20 30 FDEDMO CCN1CCN([C@H]2CC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)CC1 ZINC000609338392 554368578 /nfs/dbraw/zinc/36/85/78/554368578.db2.gz UONXBWPCMJPDSY-VQTJNVASSA-N 1 1 372.513 1.204 20 30 FDEDMO CCN1CCN([C@H]2CC[N@@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)CC1 ZINC000609338392 554368580 /nfs/dbraw/zinc/36/85/80/554368580.db2.gz UONXBWPCMJPDSY-VQTJNVASSA-N 1 1 372.513 1.204 20 30 FDEDMO CCOc1ccc(OC[C@@H](O)C[NH+]2CCN([C@H](C#N)C(C)C)CC2)cc1 ZINC000609538860 554389986 /nfs/dbraw/zinc/38/99/86/554389986.db2.gz ZDQSYBYMZKNZNI-FXAWDEMLSA-N 1 1 361.486 1.991 20 30 FDEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000609550514 554391727 /nfs/dbraw/zinc/39/17/27/554391727.db2.gz CVHUUHALBWCTAK-IBGZPJMESA-N 1 1 357.502 1.972 20 30 FDEDMO COC(=O)CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)C[C@@H]1CCCO1 ZINC000609631877 554405511 /nfs/dbraw/zinc/40/55/11/554405511.db2.gz CRIULRWTKJMZTR-KRWDZBQOSA-N 1 1 359.426 1.219 20 30 FDEDMO COC(=O)CC[N@H+](CC(=O)NCc1cccc(C#N)c1)C[C@@H]1CCCO1 ZINC000609631877 554405513 /nfs/dbraw/zinc/40/55/13/554405513.db2.gz CRIULRWTKJMZTR-KRWDZBQOSA-N 1 1 359.426 1.219 20 30 FDEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H](O)C3CCOCC3)CC2)cc1 ZINC000609847223 554429270 /nfs/dbraw/zinc/42/92/70/554429270.db2.gz VEMNQSVDBKLPOO-LJQANCHMSA-N 1 1 357.454 1.380 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H](O)C3CCOCC3)CC2)cc1 ZINC000609847223 554429271 /nfs/dbraw/zinc/42/92/71/554429271.db2.gz VEMNQSVDBKLPOO-LJQANCHMSA-N 1 1 357.454 1.380 20 30 FDEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000609926685 554438386 /nfs/dbraw/zinc/43/83/86/554438386.db2.gz RWUCDIUVMAKKCI-KBMXLJTQSA-N 1 1 358.360 1.880 20 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APNMGFLLSOFUJD-QZTJIDSGSA-N 1 1 369.469 1.566 20 30 FDEDMO C[C@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C#N)c1 ZINC000462035681 843291228 /nfs/dbraw/zinc/29/12/28/843291228.db2.gz XNEVGDFDSJLFFJ-YJBOKZPZSA-N 1 1 356.470 1.721 20 30 FDEDMO CCn1cc(CC(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@@H]2C)nn1 ZINC001088764513 843493087 /nfs/dbraw/zinc/49/30/87/843493087.db2.gz FLIDCEZLFCLKAD-APWZRJJASA-N 1 1 351.454 1.471 20 30 FDEDMO CCn1cc(CC(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@@H]2C)nn1 ZINC001088764513 843493094 /nfs/dbraw/zinc/49/30/94/843493094.db2.gz FLIDCEZLFCLKAD-APWZRJJASA-N 1 1 351.454 1.471 20 30 FDEDMO CCn1cc(CC(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)nn1 ZINC001088764618 843494719 /nfs/dbraw/zinc/49/47/19/843494719.db2.gz KUPUGNHYQIGTNB-ACJLOTCBSA-N 1 1 370.432 1.630 20 30 FDEDMO CCn1cc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)nn1 ZINC001088764618 843494730 /nfs/dbraw/zinc/49/47/30/843494730.db2.gz KUPUGNHYQIGTNB-ACJLOTCBSA-N 1 1 370.432 1.630 20 30 FDEDMO CCn1cc(CC(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)nn1 ZINC001088764728 843496388 /nfs/dbraw/zinc/49/63/88/843496388.db2.gz QASPEXWYCXVPLO-ACJLOTCBSA-N 1 1 370.432 1.630 20 30 FDEDMO CCn1cc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)nn1 ZINC001088764728 843496428 /nfs/dbraw/zinc/49/64/28/843496428.db2.gz QASPEXWYCXVPLO-ACJLOTCBSA-N 1 1 370.432 1.630 20 30 FDEDMO C=CC[C@H](CO)CNC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000667292255 843561965 /nfs/dbraw/zinc/56/19/65/843561965.db2.gz FTKVXNAVIPURMQ-OALUTQOASA-N 1 1 360.502 1.286 20 30 FDEDMO C=CC[C@H](CO)CNC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000667292255 843561973 /nfs/dbraw/zinc/56/19/73/843561973.db2.gz FTKVXNAVIPURMQ-OALUTQOASA-N 1 1 360.502 1.286 20 30 FDEDMO C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ncn[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105668448 843796605 /nfs/dbraw/zinc/79/66/05/843796605.db2.gz XWPGCUGQIHRYBR-LTDCPUDJSA-N 1 1 361.490 1.280 20 30 FDEDMO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898490884 844762561 /nfs/dbraw/zinc/76/25/61/844762561.db2.gz VVXSJRKQNBWYEB-MRXNPFEDSA-N 1 1 372.448 1.701 20 30 FDEDMO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898490884 844762567 /nfs/dbraw/zinc/76/25/67/844762567.db2.gz VVXSJRKQNBWYEB-MRXNPFEDSA-N 1 1 372.448 1.701 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1 ZINC000898510815 844783415 /nfs/dbraw/zinc/78/34/15/844783415.db2.gz WKJJSULYTIJRKJ-KSZLIROESA-N 1 1 356.422 1.205 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1 ZINC000898510815 844783418 /nfs/dbraw/zinc/78/34/18/844783418.db2.gz WKJJSULYTIJRKJ-KSZLIROESA-N 1 1 356.422 1.205 20 30 FDEDMO CC1(C)CC[N@@H+](CCNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000898591383 844890186 /nfs/dbraw/zinc/89/01/86/844890186.db2.gz ROXZUJUDRNUULI-INIZCTEOSA-N 1 1 357.458 1.848 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cnnn1C)CC2 ZINC000990737848 845418260 /nfs/dbraw/zinc/41/82/60/845418260.db2.gz GNJQYZGCLIELBR-NTDBWNAOSA-N 1 1 359.474 1.410 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1cnnn1C)CC2 ZINC000990737848 845418265 /nfs/dbraw/zinc/41/82/65/845418265.db2.gz GNJQYZGCLIELBR-NTDBWNAOSA-N 1 1 359.474 1.410 20 30 FDEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)CCC[C@@H]12 ZINC000990743452 845493728 /nfs/dbraw/zinc/49/37/28/845493728.db2.gz RTRAGLUWFDQGNE-IKVWTGGYSA-N 1 1 352.482 1.900 20 30 FDEDMO Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083513340 845626754 /nfs/dbraw/zinc/62/67/54/845626754.db2.gz CSQCXYNRBOAJLK-KGLIPLIRSA-N 1 1 359.817 1.218 20 30 FDEDMO Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083513340 845626757 /nfs/dbraw/zinc/62/67/57/845626757.db2.gz CSQCXYNRBOAJLK-KGLIPLIRSA-N 1 1 359.817 1.218 20 30 FDEDMO C[NH+](C)CCCN1C(=O)C[C@@H](N2CCC(c3ccc(C#N)cc3)CC2)C1=O ZINC000899247608 845992937 /nfs/dbraw/zinc/99/29/37/845992937.db2.gz PVTBCNAVVNKZGC-LJQANCHMSA-N 1 1 368.481 1.817 20 30 FDEDMO N#Cc1ccc(CN2C[C@@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H](O)C2)s1 ZINC001083523828 846179592 /nfs/dbraw/zinc/17/95/92/846179592.db2.gz UHAFOMMFJFGNMU-OAGGEKHMSA-N 1 1 371.466 1.055 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001088823676 846379160 /nfs/dbraw/zinc/37/91/60/846379160.db2.gz YTESCFGBBCWFCS-CJNGLKHVSA-N 1 1 370.840 1.668 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001088823676 846379166 /nfs/dbraw/zinc/37/91/66/846379166.db2.gz YTESCFGBBCWFCS-CJNGLKHVSA-N 1 1 370.840 1.668 20 30 FDEDMO COc1nccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)n1 ZINC001076025523 847076323 /nfs/dbraw/zinc/07/63/23/847076323.db2.gz BIESUKNPXQGAGF-FUHWJXTLSA-N 1 1 363.421 1.703 20 30 FDEDMO COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4csnn4)[C@@H]3C2)cc1C#N ZINC001076097564 847279583 /nfs/dbraw/zinc/27/95/83/847279583.db2.gz PQPALZAAYMZUGT-XJKSGUPXSA-N 1 1 369.450 1.765 20 30 FDEDMO COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4csnn4)[C@@H]3C2)cc1C#N ZINC001076097564 847279591 /nfs/dbraw/zinc/27/95/91/847279591.db2.gz PQPALZAAYMZUGT-XJKSGUPXSA-N 1 1 369.450 1.765 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCCN(C)C4=O)C[C@H]32)cc1 ZINC001076119468 847315553 /nfs/dbraw/zinc/31/55/53/847315553.db2.gz LWLZSHMSBSNNKB-GBESFXJTSA-N 1 1 351.450 1.435 20 30 FDEDMO Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@]4(C)C[N@H+](C)C[C@]4(C)C3)CC2)o1 ZINC000913281375 861793804 /nfs/dbraw/zinc/79/38/04/861793804.db2.gz PHMAVKGZNSAWOD-BGYRXZFFSA-N 1 1 371.485 1.871 20 30 FDEDMO N#Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(=O)cn4)[C@@H]3C2)ccc1F ZINC001076187953 847518110 /nfs/dbraw/zinc/51/81/10/847518110.db2.gz VFLQIPYEHXXXHE-SUMWQHHRSA-N 1 1 367.384 1.127 20 30 FDEDMO N#Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(=O)cn4)[C@@H]3C2)ccc1F ZINC001076187953 847518121 /nfs/dbraw/zinc/51/81/21/847518121.db2.gz VFLQIPYEHXXXHE-SUMWQHHRSA-N 1 1 367.384 1.127 20 30 FDEDMO C[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4cccc(C#N)c4)C[C@H]32)CC1 ZINC001076204896 847555294 /nfs/dbraw/zinc/55/52/94/847555294.db2.gz CNRAGGUOHPUAGC-VQTJNVASSA-N 1 1 352.482 1.933 20 30 FDEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+](CCn4nc(C)cc4C)C[C@H]32)c1 ZINC001076223054 847589180 /nfs/dbraw/zinc/58/91/80/847589180.db2.gz GCBYBLVEZASGGX-AZUAARDMSA-N 1 1 363.465 1.723 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cc(C)nn4CC)[C@@H]3C2)C1=O ZINC001076278652 847732835 /nfs/dbraw/zinc/73/28/35/847732835.db2.gz SGHRMJXQVNYPNY-LZLYRXPVSA-N 1 1 371.485 1.145 20 30 FDEDMO C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)cc1 ZINC001076334245 847872057 /nfs/dbraw/zinc/87/20/57/847872057.db2.gz SNEOJWUJPZWZNX-QFBILLFUSA-N 1 1 367.449 1.124 20 30 FDEDMO C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)cc1 ZINC001076334245 847872065 /nfs/dbraw/zinc/87/20/65/847872065.db2.gz SNEOJWUJPZWZNX-QFBILLFUSA-N 1 1 367.449 1.124 20 30 FDEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4c(C)noc4C)C[C@H]32)nn1 ZINC001076334934 847879109 /nfs/dbraw/zinc/87/91/09/847879109.db2.gz QPBJNOJKOPCYQS-WMLDXEAASA-N 1 1 356.430 1.415 20 30 FDEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4c(C)noc4C)C[C@H]32)nn1 ZINC001076334934 847879113 /nfs/dbraw/zinc/87/91/13/847879113.db2.gz QPBJNOJKOPCYQS-WMLDXEAASA-N 1 1 356.430 1.415 20 30 FDEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4F)C[C@H]32)nn1 ZINC001076334933 847879151 /nfs/dbraw/zinc/87/91/51/847879151.db2.gz QOLSBOZAWACPDD-MAUKXSAKSA-N 1 1 355.417 1.950 20 30 FDEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4F)C[C@H]32)nn1 ZINC001076334933 847879155 /nfs/dbraw/zinc/87/91/55/847879155.db2.gz QOLSBOZAWACPDD-MAUKXSAKSA-N 1 1 355.417 1.950 20 30 FDEDMO C=CCCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4oc(C)nc4C)C[C@H]32)nn1 ZINC001076344880 847919075 /nfs/dbraw/zinc/91/90/75/847919075.db2.gz DHDGNLFVRUBUKD-DOTOQJQBSA-N 1 1 370.457 1.806 20 30 FDEDMO C=CCCn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4oc(C)nc4C)C[C@H]32)nn1 ZINC001076344880 847919085 /nfs/dbraw/zinc/91/90/85/847919085.db2.gz DHDGNLFVRUBUKD-DOTOQJQBSA-N 1 1 370.457 1.806 20 30 FDEDMO C=CCCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(C)ncn4)C[C@H]32)nn1 ZINC001076345059 847920525 /nfs/dbraw/zinc/92/05/25/847920525.db2.gz MGHJONNYXUAEHH-MAUKXSAKSA-N 1 1 367.457 1.299 20 30 FDEDMO C=CCCn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(C)ncn4)C[C@H]32)nn1 ZINC001076345059 847920526 /nfs/dbraw/zinc/92/05/26/847920526.db2.gz MGHJONNYXUAEHH-MAUKXSAKSA-N 1 1 367.457 1.299 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4nc(C)oc4C)[C@@H]3C2)C1=O ZINC001076395465 848038202 /nfs/dbraw/zinc/03/82/02/848038202.db2.gz XDTQUZGGIKZPGL-HRCADAONSA-N 1 1 358.442 1.225 20 30 FDEDMO COc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)nn1 ZINC001076428277 848113678 /nfs/dbraw/zinc/11/36/78/848113678.db2.gz MSMJLDDCEMDMHG-FUHWJXTLSA-N 1 1 363.421 1.703 20 30 FDEDMO COc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)nn1 ZINC001076428277 848113683 /nfs/dbraw/zinc/11/36/83/848113683.db2.gz MSMJLDDCEMDMHG-FUHWJXTLSA-N 1 1 363.421 1.703 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCn4nc(C)nc4C)C[C@H]32)nc1 ZINC001076476161 848240479 /nfs/dbraw/zinc/24/04/79/848240479.db2.gz YXTVDOSRMWDMJG-PKOBYXMFSA-N 1 1 364.453 1.118 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(F)cn4)C[C@H]32)cn1 ZINC001076476810 848241770 /nfs/dbraw/zinc/24/17/70/848241770.db2.gz CQIPTFADHBDPEW-HNAYVOBHSA-N 1 1 350.397 1.944 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(F)cn4)C[C@H]32)cn1 ZINC001076476810 848241779 /nfs/dbraw/zinc/24/17/79/848241779.db2.gz CQIPTFADHBDPEW-HNAYVOBHSA-N 1 1 350.397 1.944 20 30 FDEDMO CC(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC001076479153 848248468 /nfs/dbraw/zinc/24/84/68/848248468.db2.gz LKLLOBPQZNUCCY-SLFFLAALSA-N 1 1 366.465 1.602 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ncccc4OC)[C@@H]3C2)C1=O ZINC001076500167 848291744 /nfs/dbraw/zinc/29/17/44/848291744.db2.gz XZEGAPOMNLQTKH-HRCADAONSA-N 1 1 370.453 1.023 20 30 FDEDMO O=C(Cn1cncn1)N1CC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001076537042 848365557 /nfs/dbraw/zinc/36/55/57/848365557.db2.gz RJACLJLBPPRHAN-FUHWJXTLSA-N 1 1 353.401 1.002 20 30 FDEDMO O=C(Cn1cncn1)N1CC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001076537042 848365565 /nfs/dbraw/zinc/36/55/65/848365565.db2.gz RJACLJLBPPRHAN-FUHWJXTLSA-N 1 1 353.401 1.002 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4ccnc4)[C@@H]3C2)cc1F ZINC001076633207 848618089 /nfs/dbraw/zinc/61/80/89/848618089.db2.gz CSSMPULIIWJYOM-FUHWJXTLSA-N 1 1 353.401 1.627 20 30 FDEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cn4ccnc4)[C@@H]3C2)cc1F ZINC001076633207 848618095 /nfs/dbraw/zinc/61/80/95/848618095.db2.gz CSSMPULIIWJYOM-FUHWJXTLSA-N 1 1 353.401 1.627 20 30 FDEDMO Cc1nc[nH]c1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001076644619 848644905 /nfs/dbraw/zinc/64/49/05/848644905.db2.gz RHXQTMIKQPEAAP-FUHWJXTLSA-N 1 1 365.437 1.967 20 30 FDEDMO C=C[C@](C)(O)C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000668113433 848658109 /nfs/dbraw/zinc/65/81/09/848658109.db2.gz QKFXKHVFPPZKJG-FQEVSTJZSA-N 1 1 362.470 1.729 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001076740245 848912990 /nfs/dbraw/zinc/91/29/90/848912990.db2.gz LROHHHRHLGRIOK-BBWFWOEESA-N 1 1 367.534 1.957 20 30 FDEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](Cc3ccc4ncccc4c3)C[C@H]2O)c1 ZINC001076855672 849213601 /nfs/dbraw/zinc/21/36/01/849213601.db2.gz HGSVDFBHHBUEJO-RTBURBONSA-N 1 1 361.405 1.410 20 30 FDEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cc4ccccc4o3)C[C@H]2O)[nH]1 ZINC001076897547 849281475 /nfs/dbraw/zinc/28/14/75/849281475.db2.gz VYEKWUWMNVPSRW-IAGOWNOFSA-N 1 1 350.378 1.608 20 30 FDEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cc4ccccc4o3)C[C@H]2O)[nH]1 ZINC001076897547 849281483 /nfs/dbraw/zinc/28/14/83/849281483.db2.gz VYEKWUWMNVPSRW-IAGOWNOFSA-N 1 1 350.378 1.608 20 30 FDEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCc4c3cccc4F)C[C@H]2O)c[nH]1 ZINC001076906249 849300836 /nfs/dbraw/zinc/30/08/36/849300836.db2.gz RZZXKXVSUVFPLK-KZNAEPCWSA-N 1 1 354.385 1.488 20 30 FDEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCc4c3cccc4F)C[C@H]2O)c[nH]1 ZINC001076906249 849300841 /nfs/dbraw/zinc/30/08/41/849300841.db2.gz RZZXKXVSUVFPLK-KZNAEPCWSA-N 1 1 354.385 1.488 20 30 FDEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O ZINC001076986041 849476804 /nfs/dbraw/zinc/47/68/04/849476804.db2.gz HXIMBPKATLWFBQ-CEXWTWQISA-N 1 1 356.470 1.092 20 30 FDEDMO C=C(Cl)C[C@H](NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)OCC ZINC000913437073 862048369 /nfs/dbraw/zinc/04/83/69/862048369.db2.gz BTSQPQUYPJSGRO-HNNXBMFYSA-N 1 1 359.898 1.593 20 30 FDEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000483647159 849782706 /nfs/dbraw/zinc/78/27/06/849782706.db2.gz RJQXSDIXZJGRQM-IBGZPJMESA-N 1 1 356.470 1.706 20 30 FDEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000483647159 849782711 /nfs/dbraw/zinc/78/27/11/849782711.db2.gz 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FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]2C)cn1 ZINC001080810486 906362100 /nfs/dbraw/zinc/36/21/00/906362100.db2.gz OOVOCFQIUILBRT-CRAIPNDOSA-N 1 1 354.454 1.126 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]2C)cn1 ZINC001080810486 906362118 /nfs/dbraw/zinc/36/21/18/906362118.db2.gz OOVOCFQIUILBRT-CRAIPNDOSA-N 1 1 354.454 1.126 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccnc3OC)C[C@H]2C)cn1 ZINC001080810660 906364996 /nfs/dbraw/zinc/36/49/96/906364996.db2.gz WUECYFCPQRVPKG-RDTXWAMCSA-N 1 1 350.422 1.717 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3OC)C[C@H]2C)cn1 ZINC001080810660 906365005 /nfs/dbraw/zinc/36/50/05/906365005.db2.gz WUECYFCPQRVPKG-RDTXWAMCSA-N 1 1 350.422 1.717 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3F)C[C@H]2C)nc1 ZINC001080810704 906365300 /nfs/dbraw/zinc/36/53/00/906365300.db2.gz ZAPLJSBPGPSKMO-JSNMRZPZSA-N 1 1 367.424 1.986 20 30 FDEDMO Cc1nc[nH]c1CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1C 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N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccncc3Cl)C2)c1 ZINC001077682934 906693329 /nfs/dbraw/zinc/69/33/29/906693329.db2.gz RWPKJSCQYPXWTK-QZTJIDSGSA-N 1 1 370.840 1.511 20 30 FDEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C(=O)N(C)C)[C@H](OC)C1 ZINC001082330840 906797744 /nfs/dbraw/zinc/79/77/44/906797744.db2.gz MIFVCRDQQXXSNF-QZTJIDSGSA-N 1 1 359.470 1.784 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC3CC(OCC)C3)C[C@H]2OC)cn1 ZINC001082333627 906828535 /nfs/dbraw/zinc/82/85/35/906828535.db2.gz REWJWMUMMYEUGI-UNLQRWGISA-N 1 1 357.454 1.307 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2OC)cn1 ZINC001082333802 906830422 /nfs/dbraw/zinc/83/04/22/906830422.db2.gz AHTYSHHDWNACCM-IAGOWNOFSA-N 1 1 356.451 1.191 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@H]2OC)cn1 ZINC001082333802 906830425 /nfs/dbraw/zinc/83/04/25/906830425.db2.gz AHTYSHHDWNACCM-IAGOWNOFSA-N 1 1 356.451 1.191 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H](OC)C3CCC3)C[C@H]2OC)cn1 ZINC001082334065 906832190 /nfs/dbraw/zinc/83/21/90/906832190.db2.gz QNSMNRFSHZGZGH-CEXWTWQISA-N 1 1 357.454 1.307 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@H]2OC)cn1 ZINC001082334008 906832561 /nfs/dbraw/zinc/83/25/61/906832561.db2.gz NTIMVXRJQFYFIM-QZTJIDSGSA-N 1 1 355.463 1.796 20 30 FDEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C2CCC(C(=O)N(C)C)CC2)[C@H](OC)C1 ZINC001082322548 906869461 /nfs/dbraw/zinc/86/94/61/906869461.db2.gz YZJWWWQZCPXHLO-BHUNQDJPSA-N 1 1 351.491 1.273 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nc(N(C)C)no2)CC1 ZINC000997082078 907203961 /nfs/dbraw/zinc/20/39/61/907203961.db2.gz XEDOPIZRMIUHIM-HOCLYGCPSA-N 1 1 363.462 1.197 20 30 FDEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](F)c3ccccc3)C2)cc1 ZINC001077750336 907514870 /nfs/dbraw/zinc/51/48/70/907514870.db2.gz FVDLELAZIBDFLZ-GUDVDZBRSA-N 1 1 353.397 1.930 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](F)c3ccccc3)C2)cc1 ZINC001077750336 907514891 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AOZFHBTVZVAOSW-CZUORRHYSA-N 1 1 367.457 1.455 20 30 FDEDMO CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1C ZINC001082480193 907947805 /nfs/dbraw/zinc/94/78/05/907947805.db2.gz MKZYNSDVSJFGCV-IUODEOHRSA-N 1 1 355.446 1.389 20 30 FDEDMO C[C@H]([NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)c1nnnn1-c1ccccc1 ZINC001082502828 908099207 /nfs/dbraw/zinc/09/92/07/908099207.db2.gz MNRQOWGDMCTTGN-RVKKMQEKSA-N 1 1 364.453 1.573 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC)CC2(CCOCC2)C1 ZINC001099593191 908099619 /nfs/dbraw/zinc/09/96/19/908099619.db2.gz SUUHUAGHVOWRDM-KSZLIROESA-N 1 1 366.502 1.601 20 30 FDEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3cccc(OC)c3)C[C@H]2O)nn1 ZINC001077801254 908298764 /nfs/dbraw/zinc/29/87/64/908298764.db2.gz JHNNNBCTLASJNM-MZMPZRCHSA-N 1 1 371.441 1.009 20 30 FDEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3cccc(OC)c3)C[C@H]2O)nn1 ZINC001077801254 908298779 /nfs/dbraw/zinc/29/87/79/908298779.db2.gz JHNNNBCTLASJNM-MZMPZRCHSA-N 1 1 371.441 1.009 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QZEIUDTVOBBTFU-IJEWVQPXSA-N 1 1 361.446 1.029 20 30 FDEDMO COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)nc4c3cnn4C)[C@@H]2C1 ZINC001189537007 967057709 /nfs/dbraw/zinc/05/77/09/967057709.db2.gz ASPOELFDUXVCGR-MAUKXSAKSA-N 1 1 367.453 1.073 20 30 FDEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC(=O)NCC(F)(F)F)[C@@H]2C1 ZINC001189597691 967067641 /nfs/dbraw/zinc/06/76/41/967067641.db2.gz MCEQZAVBDJKMEF-HZSPNIEDSA-N 1 1 361.408 1.942 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(CCOCC)c3)[C@@H]2C1 ZINC001189569436 967078022 /nfs/dbraw/zinc/07/80/22/967078022.db2.gz VDIANFQAJNEHSO-FUHWJXTLSA-N 1 1 362.474 1.269 20 30 FDEDMO COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(-n4cccc4)ccn3)[C@@H]2C1 ZINC001189668093 967132484 /nfs/dbraw/zinc/13/24/84/967132484.db2.gz JHJVZIZTKWGQCQ-FXAWDEMLSA-N 1 1 364.449 1.668 20 30 FDEDMO COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(-n4cccc4)ccn3)[C@@H]2C1 ZINC001189668093 967132489 /nfs/dbraw/zinc/13/24/89/967132489.db2.gz JHJVZIZTKWGQCQ-FXAWDEMLSA-N 1 1 364.449 1.668 20 30 FDEDMO 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CC[C@H](C)n1ncc(C(=O)N2CC[C@H]3C[N@@H+](CC#CCOC)C[C@H]32)c1C ZINC001189701260 967196989 /nfs/dbraw/zinc/19/69/89/967196989.db2.gz XTIBHUMGKMRMFC-VDZJLULYSA-N 1 1 358.486 1.959 20 30 FDEDMO COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCCOC3CCOCC3)[C@@H]2C1 ZINC001189748319 967219188 /nfs/dbraw/zinc/21/91/88/967219188.db2.gz GMDRFDXAFUINES-PKOBYXMFSA-N 1 1 364.486 1.145 20 30 FDEDMO C#CCC[NH+]1CCN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000776593918 967278894 /nfs/dbraw/zinc/27/88/94/967278894.db2.gz QKWXYXJYOHLTRV-UHFFFAOYSA-N 1 1 358.461 1.115 20 30 FDEDMO C=CC[C@H]1CCC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000852411057 967282459 /nfs/dbraw/zinc/28/24/59/967282459.db2.gz RPKRGMJJIYMAEC-HNNXBMFYSA-N 1 1 362.474 1.951 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]32)nc1 ZINC001189844088 967345202 /nfs/dbraw/zinc/34/52/02/967345202.db2.gz PORBOAPYYPLTHU-HHXXYDBFSA-N 1 1 368.481 1.465 20 30 FDEDMO C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 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NTZVEHMKVHNBSR-QRVBRYPASA-N 1 1 371.481 1.847 20 30 FDEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC001034436182 884368723 /nfs/dbraw/zinc/36/87/23/884368723.db2.gz PKBSQXAEAILVAJ-ZIFCJYIRSA-N 1 1 356.470 1.758 20 30 FDEDMO Cc1cc(F)ccc1C[N@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@@H](n2ccnn2)C1 ZINC001128976047 884542693 /nfs/dbraw/zinc/54/26/93/884542693.db2.gz GVOJLENYNKMKBT-MOPGFXCFSA-N 1 1 369.444 1.927 20 30 FDEDMO Cc1cc(F)ccc1C[N@@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@@H](n2ccnn2)C1 ZINC001128976047 884542704 /nfs/dbraw/zinc/54/27/04/884542704.db2.gz GVOJLENYNKMKBT-MOPGFXCFSA-N 1 1 369.444 1.927 20 30 FDEDMO CC(C)(C)C#CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001128980071 884566408 /nfs/dbraw/zinc/56/64/08/884566408.db2.gz MDZCTHOPZMMHIR-BBWFWOEESA-N 1 1 359.474 1.096 20 30 FDEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@@H]1n1ccnn1 ZINC001128988851 884800558 /nfs/dbraw/zinc/80/05/58/884800558.db2.gz GNMJJQGTPZFZTO-JQHSSLGASA-N 1 1 359.474 1.238 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3N(C)C)C[C@@H]2O)nc1 ZINC001083965615 912898672 /nfs/dbraw/zinc/89/86/72/912898672.db2.gz QRGQMOQOQHDMPJ-QUCCMNQESA-N 1 1 364.449 1.104 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3N(C)C)C[C@@H]2O)nc1 ZINC001083965615 912898683 /nfs/dbraw/zinc/89/86/83/912898683.db2.gz QRGQMOQOQHDMPJ-QUCCMNQESA-N 1 1 364.449 1.104 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)C[C@@H]2O)nc1 ZINC001083969830 912919463 /nfs/dbraw/zinc/91/94/63/912919463.db2.gz WRADPHQOOBCGMA-UXHICEINSA-N 1 1 360.417 1.519 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@@H]2O)nc1 ZINC001083970264 912921156 /nfs/dbraw/zinc/92/11/56/912921156.db2.gz LJOYESVIRPXVQZ-MOPGFXCFSA-N 1 1 369.396 1.056 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@@H]2O)nc1 ZINC001083970264 912921162 /nfs/dbraw/zinc/92/11/62/912921162.db2.gz LJOYESVIRPXVQZ-MOPGFXCFSA-N 1 1 369.396 1.056 20 30 FDEDMO CN(CC[NH+]1CC2(C1)CCOCC2)S(=O)(=O)Cc1csc(C#N)c1 ZINC000919136601 885334794 /nfs/dbraw/zinc/33/47/94/885334794.db2.gz NTNPFDTWUOQKDZ-UHFFFAOYSA-N 1 1 369.512 1.494 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cn(C(C)C)nn1 ZINC001034941687 885399371 /nfs/dbraw/zinc/39/93/71/885399371.db2.gz OIUGSPIXUAELSM-KURKYZTESA-N 1 1 361.490 1.921 20 30 FDEDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000919316122 885551604 /nfs/dbraw/zinc/55/16/04/885551604.db2.gz USWTVUKOLOEVQV-QGZVFWFLSA-N 1 1 364.467 1.891 20 30 FDEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccc3cc[nH]c3n2)[C@@H](n2ccnn2)C1 ZINC001129054754 885588189 /nfs/dbraw/zinc/58/81/89/885588189.db2.gz MPQNRCGYLPVQFR-SJORKVTESA-N 1 1 365.441 1.776 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2ccnc2)[C@@H](n2ccnn2)C1 ZINC001129054689 885589081 /nfs/dbraw/zinc/58/90/81/885589081.db2.gz JUSJQHQBPKLCDO-SQNIBIBYSA-N 1 1 369.473 1.127 20 30 FDEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC(C)(C)C1 ZINC001089490747 885638972 /nfs/dbraw/zinc/63/89/72/885638972.db2.gz CRVXJKQDCVHWQC-HRCADAONSA-N 1 1 351.491 1.592 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)nnc2C)[C@@H](n2ccnn2)C1 ZINC001129122287 885767226 /nfs/dbraw/zinc/76/72/26/885767226.db2.gz IOQGCYAOHFQNQB-MSOLQXFVSA-N 1 1 369.473 1.560 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2CCC3(C2)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC3)cc1 ZINC001035227856 885776959 /nfs/dbraw/zinc/77/69/59/885776959.db2.gz AOWCWJHUGLGIQP-MSOLQXFVSA-N 1 1 366.465 1.494 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001129127480 885816216 /nfs/dbraw/zinc/81/62/16/885816216.db2.gz DRTSHXMMXHBLHF-OIISXLGYSA-N 1 1 357.462 1.123 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001129127480 885816225 /nfs/dbraw/zinc/81/62/25/885816225.db2.gz DRTSHXMMXHBLHF-OIISXLGYSA-N 1 1 357.462 1.123 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129133567 885828636 /nfs/dbraw/zinc/82/86/36/885828636.db2.gz BAZMTESMFYXHMF-SJORKVTESA-N 1 1 361.490 1.649 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129133567 885828653 /nfs/dbraw/zinc/82/86/53/885828653.db2.gz BAZMTESMFYXHMF-SJORKVTESA-N 1 1 361.490 1.649 20 30 FDEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2coc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001129133705 885830803 /nfs/dbraw/zinc/83/08/03/885830803.db2.gz HPKOYLMXTBBLAI-GUTXKFCHSA-N 1 1 360.418 1.285 20 30 FDEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001129139058 885841382 /nfs/dbraw/zinc/84/13/82/885841382.db2.gz DYTFLSMSMUKOBF-XYPHTWIQSA-N 1 1 371.489 1.638 20 30 FDEDMO C#CCCCCCC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1n1ccnn1 ZINC001129154472 885886747 /nfs/dbraw/zinc/88/67/47/885886747.db2.gz QXRAQRYBDXHSQF-MSOLQXFVSA-N 1 1 369.473 1.100 20 30 FDEDMO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1n1ccnn1 ZINC001129154472 885886760 /nfs/dbraw/zinc/88/67/60/885886760.db2.gz QXRAQRYBDXHSQF-MSOLQXFVSA-N 1 1 369.473 1.100 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CCOCC2)CCO1 ZINC001035542421 886132190 /nfs/dbraw/zinc/13/21/90/886132190.db2.gz OPFRVWYFDBVNIN-SQNIBIBYSA-N 1 1 352.475 1.211 20 30 FDEDMO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CCOC2)[C@@H](n2ccnn2)C1 ZINC001129194422 886174926 /nfs/dbraw/zinc/17/49/26/886174926.db2.gz DNPORZSOCHBHSC-RYRKJORJSA-N 1 1 365.453 1.495 20 30 FDEDMO C[C@H](Nc1ccc(C#N)nc1)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001061890133 886226170 /nfs/dbraw/zinc/22/61/70/886226170.db2.gz VAFCKHAJSLBEAP-ZRGWGRIASA-N 1 1 371.485 1.711 20 30 FDEDMO C[C@H](Nc1ccc(C#N)nc1)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001061890133 886226194 /nfs/dbraw/zinc/22/61/94/886226194.db2.gz VAFCKHAJSLBEAP-ZRGWGRIASA-N 1 1 371.485 1.711 20 30 FDEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H](c2ccncc2)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129199011 886260077 /nfs/dbraw/zinc/26/00/77/886260077.db2.gz BCOLSFOEDUUXGL-SQNIBIBYSA-N 1 1 354.458 1.640 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccncc2)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129199011 886260080 /nfs/dbraw/zinc/26/00/80/886260080.db2.gz BCOLSFOEDUUXGL-SQNIBIBYSA-N 1 1 354.458 1.640 20 30 FDEDMO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000919990581 886513181 /nfs/dbraw/zinc/51/31/81/886513181.db2.gz QLLDYNIEURINKU-RISCZKNCSA-N 1 1 356.879 1.124 20 30 FDEDMO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC000919990581 886513190 /nfs/dbraw/zinc/51/31/90/886513190.db2.gz QLLDYNIEURINKU-RISCZKNCSA-N 1 1 356.879 1.124 20 30 FDEDMO C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)[C@H]1C[N@H+](C)CCN1C ZINC000920010605 886536544 /nfs/dbraw/zinc/53/65/44/886536544.db2.gz PVCKWWIRYQKOAH-BXUZGUMPSA-N 1 1 356.879 1.124 20 30 FDEDMO C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)[C@H]1C[N@@H+](C)CCN1C ZINC000920010605 886536548 /nfs/dbraw/zinc/53/65/48/886536548.db2.gz PVCKWWIRYQKOAH-BXUZGUMPSA-N 1 1 356.879 1.124 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C)Oc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001129252797 886866756 /nfs/dbraw/zinc/86/67/56/886866756.db2.gz JRQCXFFKFLSNBY-UAGQMJEPSA-N 1 1 356.430 1.058 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)Oc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001129252797 886866765 /nfs/dbraw/zinc/86/67/65/886866765.db2.gz JRQCXFFKFLSNBY-UAGQMJEPSA-N 1 1 356.430 1.058 20 30 FDEDMO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)CCCCC#N)C2)[C@@H]1C(C)C ZINC000920294910 886872087 /nfs/dbraw/zinc/87/20/87/886872087.db2.gz GZZGHJBKKGQMNN-NCOADZHNSA-N 1 1 357.520 1.469 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(C#N)cn2)CC[N@H+]1C ZINC001062046903 886937203 /nfs/dbraw/zinc/93/72/03/886937203.db2.gz VDIAMIVJPDCGLB-XWTMOSNGSA-N 1 1 353.470 1.863 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2C#N)CC[N@H+]1C ZINC001062046651 886937386 /nfs/dbraw/zinc/93/73/86/886937386.db2.gz JEUXXCXUCLDQDB-QSJFSLAZSA-N 1 1 354.458 1.258 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CN(C)c3ccc(C#N)nc3)C2)CC[N@H+]1C ZINC001062185594 886956028 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CC#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001079144890 901954917 /nfs/dbraw/zinc/95/49/17/901954917.db2.gz FUNUSOGZHKBALB-ONUIULTDSA-N 1 1 368.477 1.651 20 30 FDEDMO N#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001079147067 901972051 /nfs/dbraw/zinc/97/20/51/901972051.db2.gz VDRQCVCWKQLFRG-SBHAEUEKSA-N 1 1 368.481 1.070 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnnc(C)c2)C1 ZINC001079133400 901991058 /nfs/dbraw/zinc/99/10/58/901991058.db2.gz FJWXNEVQESAKMB-RTBURBONSA-N 1 1 352.438 1.659 20 30 FDEDMO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnnc(C)c2)C1 ZINC001079133400 901991063 /nfs/dbraw/zinc/99/10/63/901991063.db2.gz FJWXNEVQESAKMB-RTBURBONSA-N 1 1 352.438 1.659 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(F)cn2)C1 ZINC001079133364 901991378 /nfs/dbraw/zinc/99/13/78/901991378.db2.gz CPQUEIRREFCGSM-WOJBJXKFSA-N 1 1 367.424 1.932 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(OC)ncn2)C1 ZINC001079134705 901997289 /nfs/dbraw/zinc/99/72/89/901997289.db2.gz MVWZNHGTTDOAET-QZTJIDSGSA-N 1 1 368.437 1.359 20 30 FDEDMO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(OC)ncn2)C1 ZINC001079134705 901997294 /nfs/dbraw/zinc/99/72/94/901997294.db2.gz MVWZNHGTTDOAET-QZTJIDSGSA-N 1 1 368.437 1.359 20 30 FDEDMO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCO[C@H]2C=C)C1 ZINC001079135576 902000689 /nfs/dbraw/zinc/00/06/89/902000689.db2.gz AKYCBWONOLECOK-NCYKPQTJSA-N 1 1 368.477 1.675 20 30 FDEDMO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCO[C@H]2C=C)C1 ZINC001079135576 902000697 /nfs/dbraw/zinc/00/06/97/902000697.db2.gz AKYCBWONOLECOK-NCYKPQTJSA-N 1 1 368.477 1.675 20 30 FDEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2coc(OC)n2)C1 ZINC001079139317 902022213 /nfs/dbraw/zinc/02/22/13/902022213.db2.gz MPHQHDNBQAXDLT-QZTJIDSGSA-N 1 1 371.437 1.947 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c(C)cnn2C)C1 ZINC001079141756 902034241 /nfs/dbraw/zinc/03/42/41/902034241.db2.gz WUTSAWOXCARDMO-RTBURBONSA-N 1 1 368.481 1.992 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001079141798 902035521 /nfs/dbraw/zinc/03/55/21/902035521.db2.gz ZCFKXMNRNFUMTF-GUDVDZBRSA-N 1 1 371.481 1.115 20 30 FDEDMO N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CCNC4=O)[C@@H]3C2)ccc1F ZINC001084401938 914591118 /nfs/dbraw/zinc/59/11/18/914591118.db2.gz WKFRKIAXGRYSMU-IIDMSEBBSA-N 1 1 370.428 1.256 20 30 FDEDMO N#Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CCNC4=O)[C@@H]3C2)ccc1F ZINC001084401938 914591122 /nfs/dbraw/zinc/59/11/22/914591122.db2.gz WKFRKIAXGRYSMU-IIDMSEBBSA-N 1 1 370.428 1.256 20 30 FDEDMO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]cnc3C2)C[C@H]1c1cccc(F)c1 ZINC001079206126 902111091 /nfs/dbraw/zinc/11/10/91/902111091.db2.gz XRDUXTYBBREEOX-OXFYSEKESA-N 1 1 366.440 1.871 20 30 FDEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC2(CCN(CC#N)CC2)[C@H]2COC[C@H]21 ZINC001079240781 902190496 /nfs/dbraw/zinc/19/04/96/902190496.db2.gz CBYUKJIAOQIEDZ-RCCFBDPRSA-N 1 1 360.502 1.322 20 30 FDEDMO CCn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2ccccc2F)n1 ZINC001079286968 902382299 /nfs/dbraw/zinc/38/22/99/902382299.db2.gz IDYNPVDYGXQPMB-RPVQJOFSSA-N 1 1 370.432 1.681 20 30 FDEDMO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001079385337 902500350 /nfs/dbraw/zinc/50/03/50/902500350.db2.gz YJQNWCHSTYHDAT-RDTXWAMCSA-N 1 1 366.421 1.451 20 30 FDEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001079385337 902500356 /nfs/dbraw/zinc/50/03/56/902500356.db2.gz YJQNWCHSTYHDAT-RDTXWAMCSA-N 1 1 366.421 1.451 20 30 FDEDMO C=CCn1cccc1C(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001084409224 914637345 /nfs/dbraw/zinc/63/73/45/914637345.db2.gz PTPOHTSELLQRRG-YQVWRLOYSA-N 1 1 370.497 1.737 20 30 FDEDMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C)n1cccn1 ZINC001079439154 902603940 /nfs/dbraw/zinc/60/39/40/902603940.db2.gz VEHGPCXPQFLRIR-JTDSTZFVSA-N 1 1 367.453 1.983 20 30 FDEDMO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)c1 ZINC001079467756 902645134 /nfs/dbraw/zinc/64/51/34/902645134.db2.gz XKQQTPIVTDGQRA-RDTXWAMCSA-N 1 1 355.417 1.839 20 30 FDEDMO Cc1cnn(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)c1 ZINC001079467756 902645142 /nfs/dbraw/zinc/64/51/42/902645142.db2.gz XKQQTPIVTDGQRA-RDTXWAMCSA-N 1 1 355.417 1.839 20 30 FDEDMO C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001079539497 902734866 /nfs/dbraw/zinc/73/48/66/902734866.db2.gz ILILYNARINLQBU-QWQRMKEZSA-N 1 1 371.485 1.774 20 30 FDEDMO C[C@@H](C(=O)NC1CCCCC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001079539497 902734877 /nfs/dbraw/zinc/73/48/77/902734877.db2.gz ILILYNARINLQBU-QWQRMKEZSA-N 1 1 371.485 1.774 20 30 FDEDMO C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079540334 902773805 /nfs/dbraw/zinc/77/38/05/902773805.db2.gz ROIONVDLIJVIDC-CSMYWGQOSA-N 1 1 355.442 1.090 20 30 FDEDMO C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079540334 902773817 /nfs/dbraw/zinc/77/38/17/902773817.db2.gz ROIONVDLIJVIDC-CSMYWGQOSA-N 1 1 355.442 1.090 20 30 FDEDMO CC[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001079540892 902775545 /nfs/dbraw/zinc/77/55/45/902775545.db2.gz ZKZKUYRMHNWNCE-UWWQBHOKSA-N 1 1 371.485 1.728 20 30 FDEDMO CC[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001079540892 902775550 /nfs/dbraw/zinc/77/55/50/902775550.db2.gz ZKZKUYRMHNWNCE-UWWQBHOKSA-N 1 1 371.485 1.728 20 30 FDEDMO C[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079543780 902778124 /nfs/dbraw/zinc/77/81/24/902778124.db2.gz SSCPZNSIFJBJST-RHSMWYFYSA-N 1 1 357.458 1.339 20 30 FDEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079543780 902778136 /nfs/dbraw/zinc/77/81/36/902778136.db2.gz SSCPZNSIFJBJST-RHSMWYFYSA-N 1 1 357.458 1.339 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnccc1C)C2 ZINC000995970899 902838994 /nfs/dbraw/zinc/83/89/94/902838994.db2.gz JYSUBCUELGTUSZ-BVBHFADKSA-N 1 1 366.465 1.349 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnccc1C)C2 ZINC000995970899 902839003 /nfs/dbraw/zinc/83/90/03/902839003.db2.gz JYSUBCUELGTUSZ-BVBHFADKSA-N 1 1 366.465 1.349 20 30 FDEDMO C[C@@H]1C[N@H+](CC(=O)N2CCCCCCC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079589726 902867962 /nfs/dbraw/zinc/86/79/62/902867962.db2.gz NYNRTOCPXQQQFW-CRAIPNDOSA-N 1 1 371.485 1.729 20 30 FDEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCCCCCC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079589726 902867970 /nfs/dbraw/zinc/86/79/70/902867970.db2.gz NYNRTOCPXQQQFW-CRAIPNDOSA-N 1 1 371.485 1.729 20 30 FDEDMO C[C@@H]1C[N@@H+](C[C@H]2COc3ccccc3O2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079589460 902868076 /nfs/dbraw/zinc/86/80/76/902868076.db2.gz GCWUCZAHZKFHIN-UKPHBRMFSA-N 1 1 366.421 1.776 20 30 FDEDMO C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079590064 902869568 /nfs/dbraw/zinc/86/95/68/902869568.db2.gz UWNXHFURBXJRLF-CSMYWGQOSA-N 1 1 355.442 1.090 20 30 FDEDMO C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079590064 902869579 /nfs/dbraw/zinc/86/95/79/902869579.db2.gz UWNXHFURBXJRLF-CSMYWGQOSA-N 1 1 355.442 1.090 20 30 FDEDMO C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079590065 902870036 /nfs/dbraw/zinc/87/00/36/902870036.db2.gz UWNXHFURBXJRLF-JLZZUVOBSA-N 1 1 355.442 1.090 20 30 FDEDMO C[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079590065 902870044 /nfs/dbraw/zinc/87/00/44/902870044.db2.gz UWNXHFURBXJRLF-JLZZUVOBSA-N 1 1 355.442 1.090 20 30 FDEDMO C[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079599807 902897366 /nfs/dbraw/zinc/89/73/66/902897366.db2.gz BDPHHVJUBDBELB-NIKGAXFTSA-N 1 1 352.438 1.540 20 30 FDEDMO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1cnn(C)c1N ZINC001079605973 902908155 /nfs/dbraw/zinc/90/81/55/902908155.db2.gz DTJBCEQVIDKSAL-BDJLRTHQSA-N 1 1 356.405 1.263 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1cnn(C)c1N ZINC001079605973 902908157 /nfs/dbraw/zinc/90/81/57/902908157.db2.gz DTJBCEQVIDKSAL-BDJLRTHQSA-N 1 1 356.405 1.263 20 30 FDEDMO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001079612285 902925590 /nfs/dbraw/zinc/92/55/90/902925590.db2.gz HQLCGSOAEXECLJ-RDTXWAMCSA-N 1 1 355.438 1.850 20 30 FDEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001079612285 902925593 /nfs/dbraw/zinc/92/55/93/902925593.db2.gz HQLCGSOAEXECLJ-RDTXWAMCSA-N 1 1 355.438 1.850 20 30 FDEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)CC1OCCCO1 ZINC001079620618 902937951 /nfs/dbraw/zinc/93/79/51/902937951.db2.gz RNYYYEOEYCVBRH-CXAGYDPISA-N 1 1 361.417 1.787 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)CC1OCCCO1 ZINC001079620618 902937952 /nfs/dbraw/zinc/93/79/52/902937952.db2.gz RNYYYEOEYCVBRH-CXAGYDPISA-N 1 1 361.417 1.787 20 30 FDEDMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)[nH]1 ZINC001079677248 903003460 /nfs/dbraw/zinc/00/34/60/903003460.db2.gz KBFJOPBTADOYKA-BDJLRTHQSA-N 1 1 356.405 1.303 20 30 FDEDMO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)[nH]1 ZINC001079677248 903003477 /nfs/dbraw/zinc/00/34/77/903003477.db2.gz KBFJOPBTADOYKA-BDJLRTHQSA-N 1 1 356.405 1.303 20 30 FDEDMO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)Cc1ccn(C)n1 ZINC001079681600 903016329 /nfs/dbraw/zinc/01/63/29/903016329.db2.gz SRBWZRUTQHFKGS-FZKQIMNGSA-N 1 1 355.417 1.610 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)Cc1ccn(C)n1 ZINC001079681600 903016345 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364.449 1.954 20 30 FDEDMO C=C(Br)C[NH2+][C@@H]1CN(C(=O)CCCF)C[C@@H]1n1ccnn1 ZINC001129969515 938587112 /nfs/dbraw/zinc/58/71/12/938587112.db2.gz XCNJNGDGCXMRQO-NEPJUHHUSA-N 1 1 360.231 1.278 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130047034 938645899 /nfs/dbraw/zinc/64/58/99/938645899.db2.gz SMOIRDOQOGRJKD-SQNIBIBYSA-N 1 1 360.506 1.009 20 30 FDEDMO C#CCOCCNC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000805278855 938711074 /nfs/dbraw/zinc/71/10/74/938711074.db2.gz BJSSHRRZXPCLJZ-FQEVSTJZSA-N 1 1 370.497 1.238 20 30 FDEDMO CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]Cc2cccc(C#N)c2)n[nH]1 ZINC001130177474 938724955 /nfs/dbraw/zinc/72/49/55/938724955.db2.gz BVXDKQHPBFGPEJ-HOTGVXAUSA-N 1 1 368.441 1.365 20 30 FDEDMO CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]Cc2cccc(C#N)c2)n1 ZINC001130177474 938724958 /nfs/dbraw/zinc/72/49/58/938724958.db2.gz BVXDKQHPBFGPEJ-HOTGVXAUSA-N 1 1 368.441 1.365 20 30 FDEDMO 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WPMLMZRYFWCMIW-GJZGRUSLSA-N 1 1 365.478 1.276 20 30 FDEDMO C=C(C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCOC)n1 ZINC001130216400 938752571 /nfs/dbraw/zinc/75/25/71/938752571.db2.gz WPMLMZRYFWCMIW-GJZGRUSLSA-N 1 1 365.478 1.276 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)C(C)C)n1 ZINC001130216478 938752968 /nfs/dbraw/zinc/75/29/68/938752968.db2.gz YNPGEIWOWAUCCW-GJZGRUSLSA-N 1 1 361.490 1.589 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)(C)C(C)C)n[nH]1 ZINC001130216478 938752971 /nfs/dbraw/zinc/75/29/71/938752971.db2.gz YNPGEIWOWAUCCW-GJZGRUSLSA-N 1 1 361.490 1.589 20 30 FDEDMO CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001130200852 938754452 /nfs/dbraw/zinc/75/44/52/938754452.db2.gz YIDVVRYBHBIGPC-ZFWWWQNUSA-N 1 1 371.445 1.053 20 30 FDEDMO CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C#N)[nH]2)n[nH]1 ZINC001130200852 938754453 /nfs/dbraw/zinc/75/44/53/938754453.db2.gz YIDVVRYBHBIGPC-ZFWWWQNUSA-N 1 1 371.445 1.053 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccn(C)c2)n1 ZINC001130202866 938755377 /nfs/dbraw/zinc/75/53/77/938755377.db2.gz MQALNPBIZCAFFE-GJZGRUSLSA-N 1 1 358.446 1.111 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccn(C)c2)n[nH]1 ZINC001130202866 938755378 /nfs/dbraw/zinc/75/53/78/938755378.db2.gz MQALNPBIZCAFFE-GJZGRUSLSA-N 1 1 358.446 1.111 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ncccc2CC)n1 ZINC001130221191 938756814 /nfs/dbraw/zinc/75/68/14/938756814.db2.gz YXGOLMUCFRVKFB-GJZGRUSLSA-N 1 1 370.457 1.340 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ncccc2CC)n[nH]1 ZINC001130221191 938756816 /nfs/dbraw/zinc/75/68/16/938756816.db2.gz YXGOLMUCFRVKFB-GJZGRUSLSA-N 1 1 370.457 1.340 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CC=C)CCC2)n1 ZINC001130240089 938760472 /nfs/dbraw/zinc/76/04/72/938760472.db2.gz IFBYJNOWWIBTJV-HOTGVXAUSA-N 1 1 371.485 1.653 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(CC=C)CCC2)n[nH]1 ZINC001130240089 938760474 /nfs/dbraw/zinc/76/04/74/938760474.db2.gz IFBYJNOWWIBTJV-HOTGVXAUSA-N 1 1 371.485 1.653 20 30 FDEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCCF)n1 ZINC001130229993 938763726 /nfs/dbraw/zinc/76/37/26/938763726.db2.gz MBIVUFHYVYGGLZ-ILXRZTDVSA-N 1 1 367.469 1.987 20 30 FDEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCCF)n[nH]1 ZINC001130229993 938763727 /nfs/dbraw/zinc/76/37/27/938763727.db2.gz MBIVUFHYVYGGLZ-ILXRZTDVSA-N 1 1 367.469 1.987 20 30 FDEDMO C=CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C/C=C\Cl)n[nH]1 ZINC001130237927 938767543 /nfs/dbraw/zinc/76/75/43/938767543.db2.gz KCQMDKKASLWMJY-QDDHOEGMSA-N 1 1 367.881 1.992 20 30 FDEDMO C=CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C/C=C\Cl)n1 ZINC001130237927 938767544 /nfs/dbraw/zinc/76/75/44/938767544.db2.gz KCQMDKKASLWMJY-QDDHOEGMSA-N 1 1 367.881 1.992 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)CCCOC)n1 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/nfs/dbraw/zinc/77/34/89/938773489.db2.gz WVLMLCAKEMRWFU-ZFWWWQNUSA-N 1 1 358.446 1.204 20 30 FDEDMO C=C(Cl)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)OC)CC1 ZINC001130274213 938786108 /nfs/dbraw/zinc/78/61/08/938786108.db2.gz BQWZVSUPNXHWOD-BJJXKVORSA-N 1 1 357.882 1.249 20 30 FDEDMO C=C(Cl)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H](C)OC)CC1 ZINC001130285113 938789920 /nfs/dbraw/zinc/78/99/20/938789920.db2.gz APIGOEWYHJNAKA-JOQOYGCGSA-N 1 1 371.909 1.639 20 30 FDEDMO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000805761874 938826230 /nfs/dbraw/zinc/82/62/30/938826230.db2.gz JYUYYNWNMQRGFT-JKSUJKDBSA-N 1 1 352.479 1.937 20 30 FDEDMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000805761874 938826232 /nfs/dbraw/zinc/82/62/32/938826232.db2.gz JYUYYNWNMQRGFT-JKSUJKDBSA-N 1 1 352.479 1.937 20 30 FDEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805801197 938829704 /nfs/dbraw/zinc/82/97/04/938829704.db2.gz 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C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cc(C)on2)C1 ZINC001130578526 939891165 /nfs/dbraw/zinc/89/11/65/939891165.db2.gz QMXZDLDKVZFOFL-FUHWJXTLSA-N 1 1 355.442 1.604 20 30 FDEDMO Cn1cnc([C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2[NH2+]Cc2nccn2C)c1 ZINC001130592862 939900083 /nfs/dbraw/zinc/90/00/83/939900083.db2.gz IRPXAYJFSRGVDB-DOTOQJQBSA-N 1 1 368.485 1.287 20 30 FDEDMO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C)C[C@H]1c1cn(C)cn1 ZINC001130614879 939912317 /nfs/dbraw/zinc/91/23/17/939912317.db2.gz GCTHKPDYQBWWMU-UHOSZYNNSA-N 1 1 359.518 1.755 20 30 FDEDMO C=C[C@H](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nccn2C)C1 ZINC001130656985 939961198 /nfs/dbraw/zinc/96/11/98/939961198.db2.gz UPGWGCNZGMIZPP-SOLBZPMBSA-N 1 1 370.501 1.840 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]cnc3C2)C[C@H]1c1cn(C)cn1 ZINC001130708334 940014056 /nfs/dbraw/zinc/01/40/56/940014056.db2.gz JSEOPUDQVDYSDE-ZRGWGRIASA-N 1 1 368.485 1.408 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C=Cc3ccco3)n[nH]2)O1 ZINC001130746945 940052492 /nfs/dbraw/zinc/05/24/92/940052492.db2.gz NTPAQMGLNJWYTJ-LTSYXSSYSA-N 1 1 369.425 1.560 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3C=CCC3)n[nH]2)O1 ZINC001130756482 940078856 /nfs/dbraw/zinc/07/88/56/940078856.db2.gz JOCJINUCQFKOAB-OWCLPIDISA-N 1 1 357.458 1.610 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC=CCC3)n[nH]2)O1 ZINC001130756529 940079595 /nfs/dbraw/zinc/07/95/95/940079595.db2.gz MAHLZBWEQPFOLP-OWCLPIDISA-N 1 1 357.458 1.610 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)SC)n[nH]2)O1 ZINC001130767243 940100833 /nfs/dbraw/zinc/10/08/33/940100833.db2.gz FJPVLPBXDXIISC-FRRDWIJNSA-N 1 1 351.476 1.005 20 30 FDEDMO C[C@H](C#N)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]Cc3ccccc3)O2)n1 ZINC001130769774 940106789 /nfs/dbraw/zinc/10/67/89/940106789.db2.gz NYUJISKNHPIRHL-VNQPRFMTSA-N 1 1 368.441 1.590 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnccc3C)n[nH]2)O1 ZINC001130772401 940112439 /nfs/dbraw/zinc/11/24/39/940112439.db2.gz LEIDJSHOOCKZJK-DZGCQCFKSA-N 1 1 356.430 1.434 20 30 FDEDMO C#CCCCNC(=O)C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC ZINC000806917441 940116029 /nfs/dbraw/zinc/11/60/29/940116029.db2.gz JQRMWRHKRJZZSF-SFHVURJKSA-N 1 1 356.470 1.424 20 30 FDEDMO CC[C@H](F)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C#CC3CC3)n[nH]2)O1 ZINC001130785217 940119521 /nfs/dbraw/zinc/11/95/21/940119521.db2.gz GHNPJRDPWQZKGT-SOUVJXGZSA-N 1 1 363.437 1.392 20 30 FDEDMO C=C(C)[C@@H](CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC)O2)n1)OCC ZINC001130785269 940120115 /nfs/dbraw/zinc/12/01/15/940120115.db2.gz IVVLBUYOCNKKNQ-RRFJBIMHSA-N 1 1 365.478 1.622 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](CC)SC)n[nH]2)O1 ZINC001130776415 940125033 /nfs/dbraw/zinc/12/50/33/940125033.db2.gz DMAVPEJPHJFYBH-MJBXVCDLSA-N 1 1 367.519 1.948 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H](C)SC)n[nH]2)O1 ZINC001130781049 940135770 /nfs/dbraw/zinc/13/57/70/940135770.db2.gz MQIOSLGWXGLXPQ-HZSPNIEDSA-N 1 1 367.519 1.948 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CCC3(C)C)n[nH]2)O1 ZINC001130796192 940149696 /nfs/dbraw/zinc/14/96/96/940149696.db2.gz LPYGGSFJTXSDFC-RRFJBIMHSA-N 1 1 359.474 1.690 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cncs3)n[nH]2)O1 ZINC001130787195 940154595 /nfs/dbraw/zinc/15/45/95/940154595.db2.gz DJQYTMDAKYNENX-WCQYABFASA-N 1 1 362.459 1.116 20 30 FDEDMO C=CC(C)(C)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n1 ZINC001130787272 940156359 /nfs/dbraw/zinc/15/63/59/940156359.db2.gz IKBIPKZKURRRBV-LSDHHAIUSA-N 1 1 359.474 1.856 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CC4(CC4)C3)n[nH]2)O1 ZINC001130807158 940182936 /nfs/dbraw/zinc/18/29/36/940182936.db2.gz RDRYZKKWITWNIQ-LSDHHAIUSA-N 1 1 359.474 1.997 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C)cc3F)n[nH]2)O1 ZINC001130809253 940186334 /nfs/dbraw/zinc/18/63/34/940186334.db2.gz OHHANUXWUFIKAG-XJKSGUPXSA-N 1 1 371.416 1.625 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(C)(C)C(F)F)n[nH]2)O1 ZINC001130809259 940186359 /nfs/dbraw/zinc/18/63/59/940186359.db2.gz OMXJNABAQVUWTH-NWDGAFQWSA-N 1 1 369.416 1.545 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)C(C)(F)F)n[nH]2)O1 ZINC001130809287 940187276 /nfs/dbraw/zinc/18/72/76/940187276.db2.gz PRZDAZFSXHJFOF-RWMBFGLXSA-N 1 1 369.416 1.545 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccnn3)n[nH]2)O1 ZINC001130811825 940205495 /nfs/dbraw/zinc/20/54/95/940205495.db2.gz MCABUMMMSDSOIE-DZGCQCFKSA-N 1 1 371.445 1.301 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H](C)CC(C)C)n[nH]2)O1 ZINC001130815814 940216391 /nfs/dbraw/zinc/21/63/91/940216391.db2.gz ASTCIWYVADDDBD-OWCLPIDISA-N 1 1 361.490 1.936 20 30 FDEDMO 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C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3[nH]cnc3CC)n[nH]2)O1 ZINC001130817186 940220769 /nfs/dbraw/zinc/22/07/69/940220769.db2.gz DTTBYDSKRTXONC-WCQYABFASA-N 1 1 359.434 1.016 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccn3CC)n[nH]2)O1 ZINC001130817166 940220844 /nfs/dbraw/zinc/22/08/44/940220844.db2.gz CVDRZBVNIFHFMV-GOEBONIOSA-N 1 1 370.457 1.389 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c[nH]cc3C)n[nH]2)O1 ZINC001130817387 940221787 /nfs/dbraw/zinc/22/17/87/940221787.db2.gz NHRNRCVVLSUIHN-DZGCQCFKSA-N 1 1 358.446 1.757 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)CCOC)n[nH]2)O1 ZINC001130817586 940223108 /nfs/dbraw/zinc/22/31/08/940223108.db2.gz UVZPGHIXGZXBTD-QLFBSQMISA-N 1 1 365.478 1.479 20 30 FDEDMO C#CCC[NH+]1CCN(C(=O)c2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000822934806 945317241 /nfs/dbraw/zinc/31/72/41/945317241.db2.gz JLPITJGXXJSUER-UHFFFAOYSA-N 1 1 363.408 1.583 20 30 FDEDMO C=CCN(C(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(C)C 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YUUDUBMKWYBZLB-UHFFFAOYSA-N 1 1 364.519 1.130 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)CCOC)C[C@H]1c1cncn1C ZINC001131125378 940507502 /nfs/dbraw/zinc/50/75/02/940507502.db2.gz BVFZBOIGIDELTI-NWANDNLSSA-N 1 1 354.882 1.729 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCOCCOC)C[C@H]1c1cncn1C ZINC001131132420 940512413 /nfs/dbraw/zinc/51/24/13/940512413.db2.gz JYJKDPZEIBQZTA-HUUCEWRRSA-N 1 1 370.881 1.110 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)COCCC)C1 ZINC001131307305 940549121 /nfs/dbraw/zinc/54/91/21/940549121.db2.gz OORDIHIQJNWYPA-OAGGEKHMSA-N 1 1 351.447 1.095 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)COCCC)C1 ZINC001131307305 940549122 /nfs/dbraw/zinc/54/91/22/940549122.db2.gz OORDIHIQJNWYPA-OAGGEKHMSA-N 1 1 351.447 1.095 20 30 FDEDMO CC(C)=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001131307382 940549141 /nfs/dbraw/zinc/54/91/41/940549141.db2.gz QVYORBUBBLQELP-KURKYZTESA-N 1 1 359.470 1.718 20 30 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C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001188033900 965982619 /nfs/dbraw/zinc/98/26/19/965982619.db2.gz RUSZGMFFYVSASR-CWRNSKLLSA-N 1 1 362.474 1.132 20 30 FDEDMO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001188057139 966014655 /nfs/dbraw/zinc/01/46/55/966014655.db2.gz OSYORYODPSEUFH-YESZJQIVSA-N 1 1 368.543 1.946 20 30 FDEDMO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001188057139 966014669 /nfs/dbraw/zinc/01/46/69/966014669.db2.gz OSYORYODPSEUFH-YESZJQIVSA-N 1 1 368.543 1.946 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3[nH]ccc3C3CC3)[C@@H]2C1 ZINC001188164978 966069274 /nfs/dbraw/zinc/06/92/74/966069274.db2.gz IJSUAUBYPMLRFK-UKPHBRMFSA-N 1 1 354.454 1.176 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3[nH]ccc3C3CC3)[C@@H]2C1 ZINC001188164978 966069287 /nfs/dbraw/zinc/06/92/87/966069287.db2.gz IJSUAUBYPMLRFK-UKPHBRMFSA-N 1 1 354.454 1.176 20 30 FDEDMO 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C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)[C@@H]2C1 ZINC001188470133 966339461 /nfs/dbraw/zinc/33/94/61/966339461.db2.gz IILQSBPOXGWARV-FUHWJXTLSA-N 1 1 360.502 1.874 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)[C@@H]2C1 ZINC001188470133 966339474 /nfs/dbraw/zinc/33/94/74/966339474.db2.gz IILQSBPOXGWARV-FUHWJXTLSA-N 1 1 360.502 1.874 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC000964501553 1013648234 /nfs/dbraw/zinc/64/82/34/1013648234.db2.gz AVRBTCZKSVTVJU-ZACQAIPSSA-N 1 1 360.458 1.280 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CC(C)(C)COC)[C@@H]3C2)C1=O ZINC001188680790 966491867 /nfs/dbraw/zinc/49/18/67/966491867.db2.gz MAJBAPLOSSXJND-GVDBMIGSSA-N 1 1 363.502 1.369 20 30 FDEDMO C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000775188810 966494821 /nfs/dbraw/zinc/49/48/21/966494821.db2.gz DPPPMINRJMHGDE-INIZCTEOSA-N 1 1 374.485 1.068 20 30 FDEDMO 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C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCCOCC)C[C@H]21 ZINC001188886033 966637994 /nfs/dbraw/zinc/63/79/94/966637994.db2.gz TVBXVFYUQQRPKU-IXDOHACOSA-N 1 1 351.491 1.274 20 30 FDEDMO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCCOCC)C[C@H]21 ZINC001188886033 966637996 /nfs/dbraw/zinc/63/79/96/966637996.db2.gz TVBXVFYUQQRPKU-IXDOHACOSA-N 1 1 351.491 1.274 20 30 FDEDMO CC#CCCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCC[C@@H](C)C3)C[C@H]21 ZINC001188903068 966645416 /nfs/dbraw/zinc/64/54/16/966645416.db2.gz GAXNOQVCGIMWAD-CEXWTWQISA-N 1 1 359.514 1.971 20 30 FDEDMO CC#CCCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCC[C@@H](C)C3)C[C@H]21 ZINC001188903068 966645422 /nfs/dbraw/zinc/64/54/22/966645422.db2.gz GAXNOQVCGIMWAD-CEXWTWQISA-N 1 1 359.514 1.971 20 30 FDEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C=C)CC)[C@@H]2C1 ZINC001188908793 966648774 /nfs/dbraw/zinc/64/87/74/966648774.db2.gz JAUHLOYSMLBDMC-HRCADAONSA-N 1 1 362.474 1.133 20 30 FDEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C=C)CC)[C@@H]2C1 ZINC001188908793 966648779 /nfs/dbraw/zinc/64/87/79/966648779.db2.gz JAUHLOYSMLBDMC-HRCADAONSA-N 1 1 362.474 1.133 20 30 FDEDMO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001188909585 966649931 /nfs/dbraw/zinc/64/99/31/966649931.db2.gz VXWCIERGAZTCPI-BPQIPLTHSA-N 1 1 368.543 1.946 20 30 FDEDMO C=CCCCC(=O)N1CC[C@H]2C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]21 ZINC001189006901 966696747 /nfs/dbraw/zinc/69/67/47/966696747.db2.gz MATOCIMAKFQTRS-JKSUJKDBSA-N 1 1 357.520 1.157 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)ccc3F)[C@@H]2C1 ZINC001189237440 966845890 /nfs/dbraw/zinc/84/58/90/966845890.db2.gz DLPAYQFDMLPULS-RLFYNMQTSA-N 1 1 357.429 1.418 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)ccc3F)[C@@H]2C1 ZINC001189237440 966845896 /nfs/dbraw/zinc/84/58/96/966845896.db2.gz DLPAYQFDMLPULS-RLFYNMQTSA-N 1 1 357.429 1.418 20 30 FDEDMO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc(C4CC4)n3)[C@@H]2C1 ZINC001189283403 966870429 /nfs/dbraw/zinc/87/04/29/966870429.db2.gz IMNASITVJJCZBK-JLJPHGGASA-N 1 1 369.469 1.191 20 30 FDEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccnc(C4CC4)n3)[C@@H]2C1 ZINC001189283403 966870435 /nfs/dbraw/zinc/87/04/35/966870435.db2.gz IMNASITVJJCZBK-JLJPHGGASA-N 1 1 369.469 1.191 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC34CCC4)[C@@H]2C1 ZINC001189260758 966881350 /nfs/dbraw/zinc/88/13/50/966881350.db2.gz DNFRAZNLCAAGFH-RCCFBDPRSA-N 1 1 357.498 1.910 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC34CCC4)[C@@H]2C1 ZINC001189260758 966881357 /nfs/dbraw/zinc/88/13/57/966881357.db2.gz DNFRAZNLCAAGFH-RCCFBDPRSA-N 1 1 357.498 1.910 20 30 FDEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2C1 ZINC001189276097 966893202 /nfs/dbraw/zinc/89/32/02/966893202.db2.gz GGBUXAYZSILMTD-ZWKOTPCHSA-N 1 1 371.481 1.842 20 30 FDEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2C1 ZINC001189276097 966893212 /nfs/dbraw/zinc/89/32/12/966893212.db2.gz GGBUXAYZSILMTD-ZWKOTPCHSA-N 1 1 371.481 1.842 20 30 FDEDMO COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c(C)noc3C)[C@@H]2C1 ZINC001189343162 966923994 /nfs/dbraw/zinc/92/39/94/966923994.db2.gz YTFGZHCILRFOSE-UCLAIMLFSA-N 1 1 359.470 1.653 20 30 FDEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](CCOCC4CCC4)C[C@H]32)nn1 ZINC001189350821 966938091 /nfs/dbraw/zinc/93/80/91/966938091.db2.gz QEIKWOMDROGNNG-FUHWJXTLSA-N 1 1 359.474 1.427 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)NCc3ccc(F)cc3)[C@@H]2C1 ZINC001189359138 966943319 /nfs/dbraw/zinc/94/33/19/966943319.db2.gz ICQQXALMAFHMBW-FUHWJXTLSA-N 1 1 359.445 1.941 20 30 FDEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)c3cc(C)oc3C)[C@@H]2C1 ZINC001189425342 966970346 /nfs/dbraw/zinc/97/03/46/966970346.db2.gz KLFGATNIIOEHMP-UWWQBHOKSA-N 1 1 357.454 1.282 20 30 FDEDMO 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C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001129482432 938434536 /nfs/dbraw/zinc/43/45/36/938434536.db2.gz WQYJZEPFCGRABN-OIISXLGYSA-N 1 1 361.490 1.647 20 30 FDEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCn2ccnc2)[C@@H](n2ccnn2)C1 ZINC001129484705 938439944 /nfs/dbraw/zinc/43/99/44/938439944.db2.gz BYRMCNXSQHDJLT-KURKYZTESA-N 1 1 371.489 1.651 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001129490958 938442802 /nfs/dbraw/zinc/44/28/02/938442802.db2.gz XDMYNCFRYFJFDP-OIISXLGYSA-N 1 1 357.462 1.123 20 30 FDEDMO C=C(Br)C[NH2+][C@@H]1CN(C(=O)CCCC)C[C@@H]1n1ccnn1 ZINC001129598476 938462028 /nfs/dbraw/zinc/46/20/28/938462028.db2.gz MADKTZWFJQCJKV-OLZOCXBDSA-N 1 1 356.268 1.718 20 30 FDEDMO C=CCOCC(=O)N1C[C@@H]([NH2+]C/C(Cl)=C\Cl)[C@@H](n2ccnn2)C1 ZINC001129680994 938484062 /nfs/dbraw/zinc/48/40/62/938484062.db2.gz IVEXMQNHTUSVAS-YCBFNFSOSA-N 1 1 360.245 1.141 20 30 FDEDMO 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ZINC001086625096 938509677 /nfs/dbraw/zinc/50/96/77/938509677.db2.gz LAUXCSYCAFYBOT-CEXWTWQISA-N 1 1 365.481 1.919 20 30 FDEDMO Cc1cc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@@H]2n2ccnn2)on1 ZINC001129822042 938521998 /nfs/dbraw/zinc/52/19/98/938521998.db2.gz BXHCRYHSZQJELK-CVEARBPZSA-N 1 1 356.430 1.166 20 30 FDEDMO Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1n1ccnn1 ZINC001129824857 938522743 /nfs/dbraw/zinc/52/27/43/938522743.db2.gz FJOGGLFSBKTIES-MSOLQXFVSA-N 1 1 352.442 1.183 20 30 FDEDMO C#CCN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000804835558 938590958 /nfs/dbraw/zinc/59/09/58/938590958.db2.gz RBOJPZSYZRUCRV-VQTJNVASSA-N 1 1 367.493 1.981 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)c2occc2CN(C)C)C[C@@H]1n1ccnn1 ZINC001129982736 938597550 /nfs/dbraw/zinc/59/75/50/938597550.db2.gz IXBDZVNKNUNBPK-CVEARBPZSA-N 1 1 358.446 1.164 20 30 FDEDMO C=CCC1(C(=O)N2C[C@@H]([NH2+]Cc3cc(C)no3)[C@@H](n3ccnn3)C2)CCC1 ZINC001129995926 938604816 /nfs/dbraw/zinc/60/48/16/938604816.db2.gz RCTPUCSCQOGIAC-SJORKVTESA-N 1 1 370.457 1.863 20 30 FDEDMO C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2conc2C)[C@@H](n2ccnn2)C1 ZINC001130022792 938621017 /nfs/dbraw/zinc/62/10/17/938621017.db2.gz MNBXWUAZGCXFSW-CVEARBPZSA-N 1 1 358.446 1.719 20 30 FDEDMO C#CCCCS(=O)(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000805058275 938656176 /nfs/dbraw/zinc/65/61/76/938656176.db2.gz QRSUBKXQDGUUEJ-SFHVURJKSA-N 1 1 350.484 1.476 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccncc2)n1 ZINC001130181223 938728591 /nfs/dbraw/zinc/72/85/91/938728591.db2.gz BMTCWPDZDSUYLX-GJZGRUSLSA-N 1 1 356.430 1.168 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccncc2)n[nH]1 ZINC001130181223 938728594 /nfs/dbraw/zinc/72/85/94/938728594.db2.gz BMTCWPDZDSUYLX-GJZGRUSLSA-N 1 1 356.430 1.168 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)/C=C(\C)C2CC2)n1 ZINC001130187049 938732908 /nfs/dbraw/zinc/73/29/08/938732908.db2.gz SWMJDOYXJXWNQC-TZCWYCDXSA-N 1 1 357.458 1.263 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=C(C)C2CC2)n[nH]1 ZINC001130187049 938732911 /nfs/dbraw/zinc/73/29/11/938732911.db2.gz SWMJDOYXJXWNQC-TZCWYCDXSA-N 1 1 357.458 1.263 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)SC)n1 ZINC001130187836 938733969 /nfs/dbraw/zinc/73/39/69/938733969.db2.gz MBBCUBYGEOFPDK-RDBSUJKOSA-N 1 1 367.519 1.601 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)SC)n[nH]1 ZINC001130187836 938733970 /nfs/dbraw/zinc/73/39/70/938733970.db2.gz MBBCUBYGEOFPDK-RDBSUJKOSA-N 1 1 367.519 1.601 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](CC)OCC)n1 ZINC001130190772 938735960 /nfs/dbraw/zinc/73/59/60/938735960.db2.gz NIYLSBRRPWAUQB-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](CC)OCC)n[nH]1 ZINC001130190772 938735962 /nfs/dbraw/zinc/73/59/62/938735962.db2.gz NIYLSBRRPWAUQB-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC(C)C2)n1 ZINC001130198437 938740324 /nfs/dbraw/zinc/74/03/24/938740324.db2.gz LDCGXSRUGNHOGY-CKUJCDMFSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CC(C)C2)n[nH]1 ZINC001130198437 938740326 /nfs/dbraw/zinc/74/03/26/938740326.db2.gz LDCGXSRUGNHOGY-CKUJCDMFSA-N 1 1 361.490 1.895 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2occc2C)n1 ZINC001130183077 938742360 /nfs/dbraw/zinc/74/23/60/938742360.db2.gz OMQXXOKXHNDLDX-KBPBESRZSA-N 1 1 357.414 1.122 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2occc2C)n[nH]1 ZINC001130183077 938742362 /nfs/dbraw/zinc/74/23/62/938742362.db2.gz OMQXXOKXHNDLDX-KBPBESRZSA-N 1 1 357.414 1.122 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)CCCC)[nH]1 ZINC001130185009 938744112 /nfs/dbraw/zinc/74/41/12/938744112.db2.gz RLOQLEPVSBTXKD-PMPSAXMXSA-N 1 1 361.490 1.733 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[C@@H]2CCCO2)n1 ZINC001130185105 938744420 /nfs/dbraw/zinc/74/44/20/938744420.db2.gz WWCADCPSWSWMSK-KKUMJFAQSA-N 1 1 363.462 1.028 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[C@@H]2CCCO2)n[nH]1 ZINC001130185105 938744421 /nfs/dbraw/zinc/74/44/21/938744421.db2.gz WWCADCPSWSWMSK-KKUMJFAQSA-N 1 1 363.462 1.028 20 30 FDEDMO C=CCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCCC)n[nH]1 ZINC001130203061 938744826 /nfs/dbraw/zinc/74/48/26/938744826.db2.gz RCYOXCNSDWFRRC-GJZGRUSLSA-N 1 1 365.478 1.276 20 30 FDEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCCC)n1 ZINC001130203061 938744827 /nfs/dbraw/zinc/74/48/27/938744827.db2.gz RCYOXCNSDWFRRC-GJZGRUSLSA-N 1 1 365.478 1.276 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC2(F)F)n1 ZINC001130207747 938746853 /nfs/dbraw/zinc/74/68/53/938746853.db2.gz NWECEBARWRHBHS-SRVKXCTJSA-N 1 1 355.389 1.114 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC2(F)F)n[nH]1 ZINC001130207747 938746854 /nfs/dbraw/zinc/74/68/54/938746854.db2.gz NWECEBARWRHBHS-SRVKXCTJSA-N 1 1 355.389 1.114 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H](C)SC)n1 ZINC001130200288 938753870 /nfs/dbraw/zinc/75/38/70/938753870.db2.gz GIGAUXJLRUTNFT-RDBSUJKOSA-N 1 1 367.519 1.601 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H](C)SC)n[nH]1 ZINC001130200288 938753871 /nfs/dbraw/zinc/75/38/71/938753871.db2.gz GIGAUXJLRUTNFT-RDBSUJKOSA-N 1 1 367.519 1.601 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)/C=C\C2CC2)n1 ZINC001130202637 938755192 /nfs/dbraw/zinc/75/51/92/938755192.db2.gz FYUDWOHOXXOQLD-FLELRFNZSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=CC2CC2)n[nH]1 ZINC001130202637 938755193 /nfs/dbraw/zinc/75/51/93/938755193.db2.gz FYUDWOHOXXOQLD-FLELRFNZSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C2CCC2)n1 ZINC001130220681 938756152 /nfs/dbraw/zinc/75/61/52/938756152.db2.gz IPLIRLHGEULXBU-BPUTZDHNSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)C2CCC2)n[nH]1 ZINC001130220681 938756154 /nfs/dbraw/zinc/75/61/54/938756154.db2.gz IPLIRLHGEULXBU-BPUTZDHNSA-N 1 1 361.490 1.895 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)c(F)c2)[nH]1 ZINC001130223633 938757420 /nfs/dbraw/zinc/75/74/20/938757420.db2.gz ZIHPWZNLEWHIGJ-HOCLYGCPSA-N 1 1 371.416 1.278 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C)c(F)c2)n[nH]1 ZINC001130223633 938757422 /nfs/dbraw/zinc/75/74/22/938757422.db2.gz ZIHPWZNLEWHIGJ-HOCLYGCPSA-N 1 1 371.416 1.278 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2C[C@H]2C2CC2)n1 ZINC001130223628 938757506 /nfs/dbraw/zinc/75/75/06/938757506.db2.gz ZGOHZXQDACPSDA-VGWMRTNUSA-N 1 1 359.474 1.505 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H]2C[C@H]2C2CC2)n[nH]1 ZINC001130223628 938757507 /nfs/dbraw/zinc/75/75/07/938757507.db2.gz ZGOHZXQDACPSDA-VGWMRTNUSA-N 1 1 359.474 1.505 20 30 FDEDMO CC#CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CC)[nH]1 ZINC001130229701 938763117 /nfs/dbraw/zinc/76/31/17/938763117.db2.gz AJWYTRIUMJXJBJ-HOTGVXAUSA-N 1 1 357.458 1.100 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2CC=CCC2)[nH]1 ZINC001130229979 938763695 /nfs/dbraw/zinc/76/36/95/938763695.db2.gz LIOSCRJSBBEFLP-JYJNAYRXSA-N 1 1 357.458 1.263 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC3(CCC3)C2)n1 ZINC001130230366 938763983 /nfs/dbraw/zinc/76/39/83/938763983.db2.gz VDXROKRFLJIVGX-HOTGVXAUSA-N 1 1 371.485 1.487 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CC3(CCC3)C2)n[nH]1 ZINC001130230366 938763987 /nfs/dbraw/zinc/76/39/87/938763987.db2.gz VDXROKRFLJIVGX-HOTGVXAUSA-N 1 1 371.485 1.487 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2occc2Cl)[nH]1 ZINC001130232374 938764929 /nfs/dbraw/zinc/76/49/29/938764929.db2.gz FMYUXPKIIDAYPS-JQWIXIFHSA-N 1 1 363.805 1.076 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(Cl)[nH]2)n1 ZINC001130232668 938764945 /nfs/dbraw/zinc/76/49/45/938764945.db2.gz NAVVUBXSHQDJQI-JQWIXIFHSA-N 1 1 364.837 1.364 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(Cl)[nH]2)n[nH]1 ZINC001130232668 938764947 /nfs/dbraw/zinc/76/49/47/938764947.db2.gz NAVVUBXSHQDJQI-JQWIXIFHSA-N 1 1 364.837 1.364 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CCC(F)CC2)n1 ZINC001130234706 938765821 /nfs/dbraw/zinc/76/58/21/938765821.db2.gz ISGTZILQRUDXIW-WUCCLRPBSA-N 1 1 365.453 1.597 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CCC(F)CC2)n[nH]1 ZINC001130234706 938765824 /nfs/dbraw/zinc/76/58/24/938765824.db2.gz ISGTZILQRUDXIW-WUCCLRPBSA-N 1 1 365.453 1.597 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2nccs2)n1 ZINC001130242150 938769139 /nfs/dbraw/zinc/76/91/39/938769139.db2.gz IQGIHLWTXVIFLZ-RYUDHWBXSA-N 1 1 362.459 1.229 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2nccs2)n[nH]1 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LLYMOXLJYKCCGJ-WCQYABFASA-N 1 1 360.443 1.024 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(CF)CC3)n[nH]2)O1 ZINC001130804580 940175700 /nfs/dbraw/zinc/17/57/00/940175700.db2.gz MDSVUMFUUGHNSD-QWHCGFSZSA-N 1 1 351.426 1.556 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnoc3CC)n[nH]2)O1 ZINC001130808985 940184357 /nfs/dbraw/zinc/18/43/57/940184357.db2.gz ATSDQPKNIYIPGZ-SMDDNHRTSA-N 1 1 360.418 1.281 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](CCC)C(C)C)n[nH]2)O1 ZINC001130809225 940186719 /nfs/dbraw/zinc/18/67/19/940186719.db2.gz MXEPKKLJZXODRF-ARFHVFGLSA-N 1 1 361.490 1.936 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC34CC4)n[nH]2)O1 ZINC001130809394 940188564 /nfs/dbraw/zinc/18/85/64/940188564.db2.gz WDOBKYMSDCZOQW-RRFJBIMHSA-N 1 1 359.474 1.997 20 30 FDEDMO C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](F)CC)n[nH]2)O1 ZINC001130799762 940193820 /nfs/dbraw/zinc/19/38/20/940193820.db2.gz WUKYVQJDPQAFMV-MELADBBJSA-N 1 1 369.441 1.181 20 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350.426 2.137 20 30 FDEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000368458537 988994934 /nfs/dbraw/zinc/99/49/34/988994934.db2.gz OQJLTYPWJBWEAI-ZFWWWQNUSA-N 1 1 350.426 2.137 20 30 FDEDMO C=CCN1CC[C@H](N(C)C[C@@H]2CCC[N@H+](CC)[C@H]2c2cnn(C)c2)C1=O ZINC000369070191 989024400 /nfs/dbraw/zinc/02/44/00/989024400.db2.gz HGUDVCRMAURFDV-YTQUADARSA-N 1 1 359.518 1.912 20 30 FDEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCCN(CC)[C@H]2c2cnn(C)c2)C1=O ZINC000369070191 989024413 /nfs/dbraw/zinc/02/44/13/989024413.db2.gz HGUDVCRMAURFDV-YTQUADARSA-N 1 1 359.518 1.912 20 30 FDEDMO C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CCCN(CC)[C@H]2c2cnn(C)c2)C1=O ZINC000369070191 989024426 /nfs/dbraw/zinc/02/44/26/989024426.db2.gz HGUDVCRMAURFDV-YTQUADARSA-N 1 1 359.518 1.912 20 30 FDEDMO C[C@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[N@@H+]1CCc2sccc2C1 ZINC000369228362 989035831 /nfs/dbraw/zinc/03/58/31/989035831.db2.gz DVZANGRYQBGLAD-PBHICJAKSA-N 1 1 373.526 1.876 20 30 FDEDMO 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FDEDMO COCCOCCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000276321505 537420553 /nfs/dbraw/zinc/42/05/53/537420553.db2.gz ZASSXIANUTVMON-AWEZNQCLSA-N 1 1 367.446 1.707 20 30 FDEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000293354957 537428375 /nfs/dbraw/zinc/42/83/75/537428375.db2.gz LCFOIHWZEYMZAU-UHFFFAOYSA-N 1 1 351.410 1.153 20 30 FDEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)cc1Br ZINC000293402449 537443181 /nfs/dbraw/zinc/44/31/81/537443181.db2.gz ONNWUQFGMMMJEO-UHFFFAOYSA-N 1 1 366.259 1.767 20 30 FDEDMO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000299128022 537449702 /nfs/dbraw/zinc/44/97/02/537449702.db2.gz YNYWRDJQNYXCLL-MSOLQXFVSA-N 1 1 366.469 1.893 20 30 FDEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000365339293 537487968 /nfs/dbraw/zinc/48/79/68/537487968.db2.gz KSHPAWUVHSXEGS-JLSDUUJJSA-N 1 1 370.453 1.502 20 30 FDEDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000290978264 537497872 /nfs/dbraw/zinc/49/78/72/537497872.db2.gz PTEOIKPVHAUCRS-INIZCTEOSA-N 1 1 358.490 1.905 20 30 FDEDMO C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000288648667 537530775 /nfs/dbraw/zinc/53/07/75/537530775.db2.gz QGONXGDUQMNTOH-VYDXJSESSA-N 1 1 350.488 1.575 20 30 FDEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000360390965 537585356 /nfs/dbraw/zinc/58/53/56/537585356.db2.gz VKXHHZLUZYMJAZ-KURKYZTESA-N 1 1 355.398 1.924 20 30 FDEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000360390965 537585364 /nfs/dbraw/zinc/58/53/64/537585364.db2.gz VKXHHZLUZYMJAZ-KURKYZTESA-N 1 1 355.398 1.924 20 30 FDEDMO C#CCCOc1ccc(C[NH2+]Cc2cn([C@@H]3COC[C@H]3OC)nn2)cc1 ZINC000289739758 537586116 /nfs/dbraw/zinc/58/61/16/537586116.db2.gz HKFNBMHVROQPGO-RTBURBONSA-N 1 1 356.426 1.556 20 30 FDEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2ccnc(COC)n2)C1 ZINC000363019988 537602702 /nfs/dbraw/zinc/60/27/02/537602702.db2.gz BVTIBJNYRQAXNI-HOTGVXAUSA-N 1 1 359.474 1.811 20 30 FDEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](c2ccnc(COC)n2)C1 ZINC000363019988 537602707 /nfs/dbraw/zinc/60/27/07/537602707.db2.gz BVTIBJNYRQAXNI-HOTGVXAUSA-N 1 1 359.474 1.811 20 30 FDEDMO CC(C)[C@H](CNC(=O)N1CCO[C@]2(CCO[C@H]2C)C1)[NH+]1CCOCC1 ZINC000329920843 537645759 /nfs/dbraw/zinc/64/57/59/537645759.db2.gz SIVPJONHTNESID-XYJFISCASA-N 1 1 355.479 1.137 20 30 FDEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCn3cnnc3[C@@H]2C)C[C@H](C)O1 ZINC000330060898 537651446 /nfs/dbraw/zinc/65/14/46/537651446.db2.gz NKYWCUBCHWAQAJ-MJBXVCDLSA-N 1 1 350.467 1.457 20 30 FDEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCn3cnnc3[C@@H]2C)C[C@H](C)O1 ZINC000330060898 537651449 /nfs/dbraw/zinc/65/14/49/537651449.db2.gz NKYWCUBCHWAQAJ-MJBXVCDLSA-N 1 1 350.467 1.457 20 30 FDEDMO Cn1ccnc1[C@H](NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)C1CCOCC1 ZINC000330226293 537652351 /nfs/dbraw/zinc/65/23/51/537652351.db2.gz UKFXIWSEONJFSK-APWZRJJASA-N 1 1 361.490 1.829 20 30 FDEDMO C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000330421428 537656799 /nfs/dbraw/zinc/65/67/99/537656799.db2.gz RPRBOGYPWKEHTN-INMHGKMJSA-N 1 1 350.488 1.890 20 30 FDEDMO C#CC[N@@H+](C)CCCNC(=O)[C@@](C)(O)CN1c2ccccc2C(C)(C)C1=O ZINC000294100658 537657742 /nfs/dbraw/zinc/65/77/42/537657742.db2.gz YGSXZBWTURICLW-NRFANRHFSA-N 1 1 371.481 1.133 20 30 FDEDMO C#CC[N@@H+](C)CCCNC(=O)c1sc(S(N)(=O)=O)c(C)c1Cl ZINC000294107766 537658450 /nfs/dbraw/zinc/65/84/50/537658450.db2.gz YVBKSHXEXLVESN-UHFFFAOYSA-N 1 1 363.892 1.042 20 30 FDEDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCS(=O)(=O)N(CC)CC ZINC000330939005 537662570 /nfs/dbraw/zinc/66/25/70/537662570.db2.gz VZFAWCZXDXXMDZ-CABCVRRESA-N 1 1 360.524 1.131 20 30 FDEDMO N#Cc1ccnc(N2CCN(C(=O)c3cc(C[NH+]4CCCC4)on3)CC2)c1 ZINC000292342079 537728649 /nfs/dbraw/zinc/72/86/49/537728649.db2.gz BKDHWTCZJKERDK-UHFFFAOYSA-N 1 1 366.425 1.499 20 30 FDEDMO C=CCNC(=O)CNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000292583004 537746703 /nfs/dbraw/zinc/74/67/03/537746703.db2.gz SANAXJHRXRAEHA-GOSISDBHSA-N 1 1 358.486 1.890 20 30 FDEDMO C[C@@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H](C)C[N@@H+]1CCO ZINC000416313377 537804495 /nfs/dbraw/zinc/80/44/95/537804495.db2.gz ROWSHCVBDXBWTQ-KGLIPLIRSA-N 1 1 354.410 1.740 20 30 FDEDMO C[C@@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H](C)C[N@H+]1CCO ZINC000416313377 537804503 /nfs/dbraw/zinc/80/45/03/537804503.db2.gz ROWSHCVBDXBWTQ-KGLIPLIRSA-N 1 1 354.410 1.740 20 30 FDEDMO CCc1ccc([C@@H](CNS(=O)(=O)N(CC)CCC#N)[NH+](C)C)cc1 ZINC000409552388 537859649 /nfs/dbraw/zinc/85/96/49/537859649.db2.gz KRLGGTJKUMSMFT-QGZVFWFLSA-N 1 1 352.504 1.922 20 30 FDEDMO COCCN(CCC#N)S(=O)(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000409570879 537861702 /nfs/dbraw/zinc/86/17/02/537861702.db2.gz RXBDXYPEEGWRTD-OAHLLOKOSA-N 1 1 360.524 1.193 20 30 FDEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000368040520 537973328 /nfs/dbraw/zinc/97/33/28/537973328.db2.gz JDVISQQCFVZGTN-WMLDXEAASA-N 1 1 351.472 1.833 20 30 FDEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000368040520 537973336 /nfs/dbraw/zinc/97/33/36/537973336.db2.gz JDVISQQCFVZGTN-WMLDXEAASA-N 1 1 351.472 1.833 20 30 FDEDMO CC(C)c1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)N(C)C[C@H](C)C#N ZINC000372588926 537981733 /nfs/dbraw/zinc/98/17/33/537981733.db2.gz SMVVQTJAKVBQFI-HUUCEWRRSA-N 1 1 353.492 1.807 20 30 FDEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000369123315 538000912 /nfs/dbraw/zinc/00/09/12/538000912.db2.gz ZUTTUJDYZQGUAO-DLBZAZTESA-N 1 1 364.515 1.919 20 30 FDEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)c1C ZINC000377732457 538009603 /nfs/dbraw/zinc/00/96/03/538009603.db2.gz LPAYFACAUWQOSI-IAGOWNOFSA-N 1 1 354.454 1.618 20 30 FDEDMO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H]4CC[N@H+](C)[C@@H]4C3)CC2)o1 ZINC000372979772 538072748 /nfs/dbraw/zinc/07/27/48/538072748.db2.gz MNSZCJAUOGRGQQ-RHSMWYFYSA-N 1 1 357.458 1.624 20 30 FDEDMO C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1 ZINC000439340846 538167462 /nfs/dbraw/zinc/16/74/62/538167462.db2.gz CYDAWJUYVAFGNA-AWEZNQCLSA-N 1 1 358.442 1.094 20 30 FDEDMO N#CCC1(CS(=O)(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000451305375 538225279 /nfs/dbraw/zinc/22/52/79/538225279.db2.gz VYPMKOMFSGUJPB-UHFFFAOYSA-N 1 1 369.531 1.882 20 30 FDEDMO CC(C)(CC#N)CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000422493245 538283651 /nfs/dbraw/zinc/28/36/51/538283651.db2.gz XXGDEYDKLSVDJG-UHFFFAOYSA-N 1 1 356.470 1.777 20 30 FDEDMO C=CCCC[N@@H+](C)CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000440794445 538283674 /nfs/dbraw/zinc/28/36/74/538283674.db2.gz FMPOWWHHOAZJJC-UHFFFAOYSA-N 1 1 374.528 1.609 20 30 FDEDMO C=CCCC[N@H+](C)CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000440794445 538283681 /nfs/dbraw/zinc/28/36/81/538283681.db2.gz FMPOWWHHOAZJJC-UHFFFAOYSA-N 1 1 374.528 1.609 20 30 FDEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000451634921 538288184 /nfs/dbraw/zinc/28/81/84/538288184.db2.gz SJUZFIZJGWXAKG-SOLBZPMBSA-N 1 1 356.470 1.966 20 30 FDEDMO N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)c1 ZINC000451674963 538299318 /nfs/dbraw/zinc/29/93/18/538299318.db2.gz ZFUXUTNBHYZUKD-CYBMUJFWSA-N 1 1 357.863 1.337 20 30 FDEDMO N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000451674963 538299322 /nfs/dbraw/zinc/29/93/22/538299322.db2.gz ZFUXUTNBHYZUKD-CYBMUJFWSA-N 1 1 357.863 1.337 20 30 FDEDMO CCN(CCC#N)C(=O)C[N@H+](CCC(N)=O)[C@@H]1CCOc2ccccc21 ZINC000451713710 538309419 /nfs/dbraw/zinc/30/94/19/538309419.db2.gz OSRRJMYSKTXWMN-MRXNPFEDSA-N 1 1 358.442 1.450 20 30 FDEDMO CCN(CCC#N)C(=O)C[N@@H+](CCC(N)=O)[C@@H]1CCOc2ccccc21 ZINC000451713710 538309426 /nfs/dbraw/zinc/30/94/26/538309426.db2.gz OSRRJMYSKTXWMN-MRXNPFEDSA-N 1 1 358.442 1.450 20 30 FDEDMO C[C@@H]1C[C@H]1[N@@H+]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)C1 ZINC000429039072 538329132 /nfs/dbraw/zinc/32/91/32/538329132.db2.gz YLXWPYBCSBPFQL-GPMSIDNRSA-N 1 1 361.511 1.994 20 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351.447 1.991 20 30 FDEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)ccc1F ZINC000588973395 551702312 /nfs/dbraw/zinc/70/23/12/551702312.db2.gz RJTLDSICXSVPKN-AWEZNQCLSA-N 1 1 351.447 1.991 20 30 FDEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000589138393 551712556 /nfs/dbraw/zinc/71/25/56/551712556.db2.gz DMYQQEAFNFGFMJ-MAUKXSAKSA-N 1 1 372.469 1.131 20 30 FDEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000589138393 551712558 /nfs/dbraw/zinc/71/25/58/551712558.db2.gz DMYQQEAFNFGFMJ-MAUKXSAKSA-N 1 1 372.469 1.131 20 30 FDEDMO Cc1nc2ccccn2c(=O)c1CC[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000589257681 551721484 /nfs/dbraw/zinc/72/14/84/551721484.db2.gz ARDKYVFZKKWHHO-SFHVURJKSA-N 1 1 353.470 1.711 20 30 FDEDMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cccc(C#N)n3)cc2)CC1 ZINC000589454317 551731290 /nfs/dbraw/zinc/73/12/90/551731290.db2.gz WVPZLEWFYSYXSJ-UHFFFAOYSA-N 1 1 363.421 1.983 20 30 FDEDMO 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/nfs/dbraw/zinc/43/24/94/938432494.db2.gz MYJOXNBKWYKOCY-SJORKVTESA-N 1 1 359.474 1.240 20 30 FDEDMO C#CCC1(C(=O)N[C@@H]2C[N@H+](CCOC)C[C@@H]2n2ccnn2)CCCCC1 ZINC001129476653 938432496 /nfs/dbraw/zinc/43/24/96/938432496.db2.gz MYJOXNBKWYKOCY-SJORKVTESA-N 1 1 359.474 1.240 20 30 FDEDMO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC/C=C\CCC)C[C@@H]1n1ccnn1 ZINC001129481468 938434300 /nfs/dbraw/zinc/43/43/00/938434300.db2.gz LUZNDOPHVUGUAU-CBETYXLMSA-N 1 1 361.490 1.957 20 30 FDEDMO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@@H]1n1ccnn1 ZINC001129482287 938434731 /nfs/dbraw/zinc/43/47/31/938434731.db2.gz SRBIMNQPBDAIFX-JQHSSLGASA-N 1 1 359.474 1.711 20 30 FDEDMO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 ZINC001086624787 938499552 /nfs/dbraw/zinc/49/95/52/938499552.db2.gz UTRDBTOEPJDKON-RBUKOAKNSA-N 1 1 362.433 1.402 20 30 FDEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 ZINC001086624787 938499554 /nfs/dbraw/zinc/49/95/54/938499554.db2.gz UTRDBTOEPJDKON-RBUKOAKNSA-N 1 1 362.433 1.402 20 30 FDEDMO C#CCCCCC(=O)N1C[C@@H]([NH2+]Cc2nccnc2C)[C@@H](n2ccnn2)C1 ZINC001129777758 938513251 /nfs/dbraw/zinc/51/32/51/938513251.db2.gz AEMWHOMTNFWMEB-MSOLQXFVSA-N 1 1 367.457 1.112 20 30 FDEDMO C=C(C)CCC(=O)N1C[C@@H]([NH2+]Cc2cc(OC)ccn2)[C@@H](n2ccnn2)C1 ZINC001129884866 938539315 /nfs/dbraw/zinc/53/93/15/938539315.db2.gz UROMSBAUUGHCJI-MSOLQXFVSA-N 1 1 370.457 1.580 20 30 FDEDMO C#CCCCCCC(=O)N1C[C@@H]([NH2+]Cc2cc(C)no2)[C@@H](n2ccnn2)C1 ZINC001129959354 938577989 /nfs/dbraw/zinc/57/79/89/938577989.db2.gz SAHRKJPQUKKHMH-MSOLQXFVSA-N 1 1 370.457 1.700 20 30 FDEDMO CC#CCCCC(=O)N1C[C@@H]([NH2+]Cc2cc(C)no2)[C@@H](n2ccnn2)C1 ZINC001129972787 938591623 /nfs/dbraw/zinc/59/16/23/938591623.db2.gz MNRWIRWJTFGZCL-SJORKVTESA-N 1 1 356.430 1.310 20 30 FDEDMO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]cnc3C2)C[C@@H]1n1ccnn1 ZINC001130077661 938670825 /nfs/dbraw/zinc/67/08/25/938670825.db2.gz TZRQVLOXEVSAOW-QGTPRVQTSA-N 1 1 369.473 1.114 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)COCCCCCC)C[C@@H]1n1ccnn1 ZINC001130105018 938685631 /nfs/dbraw/zinc/68/56/31/938685631.db2.gz GZKYUQWGUMNLPU-CVEARBPZSA-N 1 1 369.897 1.969 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C=Cc2ccco2)n1 ZINC001130177655 938725252 /nfs/dbraw/zinc/72/52/52/938725252.db2.gz NDFKNOWPPMJKOT-KQLNYGGHSA-N 1 1 369.425 1.213 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=Cc2ccco2)n[nH]1 ZINC001130177655 938725254 /nfs/dbraw/zinc/72/52/54/938725254.db2.gz NDFKNOWPPMJKOT-KQLNYGGHSA-N 1 1 369.425 1.213 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C=Cc2ccco2)n1 ZINC001130177793 938725709 /nfs/dbraw/zinc/72/57/09/938725709.db2.gz UXGZRHCHJNAAHJ-XFCCUVRLSA-N 1 1 371.441 1.766 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=Cc2ccco2)n[nH]1 ZINC001130177793 938725711 /nfs/dbraw/zinc/72/57/11/938725711.db2.gz UXGZRHCHJNAAHJ-XFCCUVRLSA-N 1 1 371.441 1.766 20 30 FDEDMO CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]Cc2ccc(C#N)cc2)n[nH]1 ZINC001130179681 938727249 /nfs/dbraw/zinc/72/72/49/938727249.db2.gz PUUSTQGVHSJAGZ-HOTGVXAUSA-N 1 1 368.441 1.365 20 30 FDEDMO CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]Cc2ccc(C#N)cc2)n1 ZINC001130179681 938727252 /nfs/dbraw/zinc/72/72/52/938727252.db2.gz PUUSTQGVHSJAGZ-HOTGVXAUSA-N 1 1 368.441 1.365 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccccc2O)n1 ZINC001130186633 938732354 /nfs/dbraw/zinc/73/23/54/938732354.db2.gz IJWKFKNRNQVTEW-HOCLYGCPSA-N 1 1 371.441 1.479 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccccc2O)n[nH]1 ZINC001130186633 938732355 /nfs/dbraw/zinc/73/23/55/938732355.db2.gz IJWKFKNRNQVTEW-HOCLYGCPSA-N 1 1 371.441 1.479 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H]2C=CCC2)n1 ZINC001130187808 938734158 /nfs/dbraw/zinc/73/41/58/938734158.db2.gz KMNUBLRBXRPDKH-JYJNAYRXSA-N 1 1 357.458 1.263 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H]2C=CCC2)n[nH]1 ZINC001130187808 938734160 /nfs/dbraw/zinc/73/41/60/938734160.db2.gz KMNUBLRBXRPDKH-JYJNAYRXSA-N 1 1 357.458 1.263 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H](C)CCC)n1 ZINC001130193176 938737730 /nfs/dbraw/zinc/73/77/30/938737730.db2.gz LSOPWVXPNRZNGD-JYJNAYRXSA-N 1 1 361.490 1.733 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H](C)CCC)n[nH]1 ZINC001130193176 938737731 /nfs/dbraw/zinc/73/77/31/938737731.db2.gz LSOPWVXPNRZNGD-JYJNAYRXSA-N 1 1 361.490 1.733 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C)CCC)[nH]1 ZINC001130193211 938737747 /nfs/dbraw/zinc/73/77/47/938737747.db2.gz MROBLQCNOUUNMJ-JYJNAYRXSA-N 1 1 361.490 1.733 20 30 FDEDMO CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001130195766 938738851 /nfs/dbraw/zinc/73/88/51/938738851.db2.gz BKFOJTOHVJLEND-ZFWWWQNUSA-N 1 1 371.445 1.197 20 30 FDEDMO CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C#N)c[nH]2)n[nH]1 ZINC001130195766 938738853 /nfs/dbraw/zinc/73/88/53/938738853.db2.gz BKFOJTOHVJLEND-ZFWWWQNUSA-N 1 1 371.445 1.197 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccccc2)n1 ZINC001130183252 938742762 /nfs/dbraw/zinc/74/27/62/938742762.db2.gz YQGKTTVIPQKJHH-HOTGVXAUSA-N 1 1 355.442 1.773 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccccc2)n[nH]1 ZINC001130183252 938742764 /nfs/dbraw/zinc/74/27/64/938742764.db2.gz YQGKTTVIPQKJHH-HOTGVXAUSA-N 1 1 355.442 1.773 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2coc(C)c2)n1 ZINC001130204694 938745700 /nfs/dbraw/zinc/74/57/00/938745700.db2.gz FCJRPVIMKIKCIW-GJZGRUSLSA-N 1 1 357.414 1.122 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2coc(C)c2)n[nH]1 ZINC001130204694 938745701 /nfs/dbraw/zinc/74/57/01/938745701.db2.gz FCJRPVIMKIKCIW-GJZGRUSLSA-N 1 1 357.414 1.122 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2coc(C)n2)n1 ZINC001130204716 938745773 /nfs/dbraw/zinc/74/57/73/938745773.db2.gz GPGOPPDDHKVECA-JSGCOSHPSA-N 1 1 360.418 1.069 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2coc(C)n2)n[nH]1 ZINC001130204716 938745774 /nfs/dbraw/zinc/74/57/74/938745774.db2.gz GPGOPPDDHKVECA-JSGCOSHPSA-N 1 1 360.418 1.069 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[C@@H](C)OC)n1 ZINC001130204754 938745818 /nfs/dbraw/zinc/74/58/18/938745818.db2.gz JDLLUSZJVCCQDN-ILXRZTDVSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[C@@H](C)OC)n[nH]1 ZINC001130204754 938745820 /nfs/dbraw/zinc/74/58/20/938745820.db2.gz JDLLUSZJVCCQDN-ILXRZTDVSA-N 1 1 365.478 1.274 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC2CC2)n1 ZINC001130212781 938749626 /nfs/dbraw/zinc/74/96/26/938749626.db2.gz CSQYLYUMABEBCX-HOTGVXAUSA-N 1 1 357.458 1.263 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC2CC2)n[nH]1 ZINC001130212781 938749628 /nfs/dbraw/zinc/74/96/28/938749628.db2.gz CSQYLYUMABEBCX-HOTGVXAUSA-N 1 1 357.458 1.263 20 30 FDEDMO CC/C=C\CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC2CC2)n1 ZINC001130212948 938749953 /nfs/dbraw/zinc/74/99/53/938749953.db2.gz MJLGCQMCQBMJNS-QCDWVSHVSA-N 1 1 371.485 1.653 20 30 FDEDMO CC/C=C\CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC2CC2)n[nH]1 ZINC001130212948 938749954 /nfs/dbraw/zinc/74/99/54/938749954.db2.gz MJLGCQMCQBMJNS-QCDWVSHVSA-N 1 1 371.485 1.653 20 30 FDEDMO C=C(C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=C)Cl)[nH]1 ZINC001130215701 938751833 /nfs/dbraw/zinc/75/18/33/938751833.db2.gz CILVVPGFZVKAQS-KBPBESRZSA-N 1 1 367.881 1.992 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cscn2)n1 ZINC001130202521 938755069 /nfs/dbraw/zinc/75/50/69/938755069.db2.gz AJRSQMZRZMAEBH-AAEUAGOBSA-N 1 1 362.459 1.229 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cscn2)n[nH]1 ZINC001130202521 938755071 /nfs/dbraw/zinc/75/50/71/938755071.db2.gz AJRSQMZRZMAEBH-AAEUAGOBSA-N 1 1 362.459 1.229 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2C=CCCC2)[nH]1 ZINC001130221076 938756391 /nfs/dbraw/zinc/75/63/91/938756391.db2.gz SNVZTAWVJYRVTB-PMPSAXMXSA-N 1 1 357.458 1.263 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC2(F)F)n1 ZINC001130220896 938756403 /nfs/dbraw/zinc/75/64/03/938756403.db2.gz QDFQJXVNEQIPKV-TUAOUCFPSA-N 1 1 355.389 1.114 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CCC2(F)F)n[nH]1 ZINC001130220896 938756404 /nfs/dbraw/zinc/75/64/04/938756404.db2.gz QDFQJXVNEQIPKV-TUAOUCFPSA-N 1 1 355.389 1.114 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C(F)(F)F)n1 ZINC001130227785 938761910 /nfs/dbraw/zinc/76/19/10/938761910.db2.gz OXFAKTHSTPYVNF-VWYCJHECSA-N 1 1 361.368 1.267 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)C(F)(F)F)n[nH]1 ZINC001130227785 938761912 /nfs/dbraw/zinc/76/19/12/938761912.db2.gz OXFAKTHSTPYVNF-VWYCJHECSA-N 1 1 361.368 1.267 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)C(F)F)n1 ZINC001130234676 938765815 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967721269 /nfs/dbraw/zinc/72/12/69/967721269.db2.gz VFMPNMWUCXDSMQ-YTQUADARSA-N 1 1 355.482 1.967 20 30 FDEDMO C=C[C@@H](CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21)c1ccccc1 ZINC001190305722 967721275 /nfs/dbraw/zinc/72/12/75/967721275.db2.gz VFMPNMWUCXDSMQ-YTQUADARSA-N 1 1 355.482 1.967 20 30 FDEDMO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NCC(C)C ZINC001110425817 967736991 /nfs/dbraw/zinc/73/69/91/967736991.db2.gz YMQNUUYFYRGLNX-TVFCKZIOSA-N 1 1 365.518 1.851 20 30 FDEDMO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NCC(C)C ZINC001110425817 967736994 /nfs/dbraw/zinc/73/69/94/967736994.db2.gz YMQNUUYFYRGLNX-TVFCKZIOSA-N 1 1 365.518 1.851 20 30 FDEDMO COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(N(C)C)c(F)c3)[C@@H]2C1 ZINC001190350675 967771550 /nfs/dbraw/zinc/77/15/50/967771550.db2.gz IZHIKYSHVMNTLN-QFBILLFUSA-N 1 1 359.445 1.688 20 30 FDEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC(C)(C)c3ccccc3)[C@@H]2C1 ZINC001190351129 967773654 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GCMCLRKYXPRLCL-ZYSHUDEJSA-N 1 1 354.410 1.251 20 30 FDEDMO C[C@]1(C#N)CCN(CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000853596342 968166246 /nfs/dbraw/zinc/16/62/46/968166246.db2.gz FFAHJQKFISNQLH-FUHIMQAGSA-N 1 1 352.438 1.296 20 30 FDEDMO C=CC[C@@H](NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C)c1ccncc1 ZINC000775436466 968276639 /nfs/dbraw/zinc/27/66/39/968276639.db2.gz WHIVSCYQVRUCLK-NVXWUHKLSA-N 1 1 360.458 1.978 20 30 FDEDMO C=CC[C@@H](NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C)c1ccncc1 ZINC000775436466 968276649 /nfs/dbraw/zinc/27/66/49/968276649.db2.gz WHIVSCYQVRUCLK-NVXWUHKLSA-N 1 1 360.458 1.978 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001191460691 968550725 /nfs/dbraw/zinc/55/07/25/968550725.db2.gz VDDXLLJKMPKVEI-KSZLIROESA-N 1 1 363.502 1.535 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001191460691 968550731 /nfs/dbraw/zinc/55/07/31/968550731.db2.gz VDDXLLJKMPKVEI-KSZLIROESA-N 1 1 363.502 1.535 20 30 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/nfs/dbraw/zinc/33/76/64/938337664.db2.gz RUBCGTPVXWBUET-QLFBSQMISA-N 1 1 374.460 1.796 20 30 FDEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@](C)(OC)c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129397463 938402757 /nfs/dbraw/zinc/40/27/57/938402757.db2.gz TZIVARPKQIXIBI-HBFSDRIKSA-N 1 1 369.469 1.758 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(C)(F)F)[C@@H](n2ccnn2)C1 ZINC001129407792 938405229 /nfs/dbraw/zinc/40/52/29/938405229.db2.gz WTJYZLIKHMJKGZ-KGLIPLIRSA-N 1 1 371.432 1.504 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(C)(F)F)[C@@H](n2ccnn2)C1 ZINC001129407792 938405230 /nfs/dbraw/zinc/40/52/30/938405230.db2.gz WTJYZLIKHMJKGZ-KGLIPLIRSA-N 1 1 371.432 1.504 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CC(C)(C)CO2)[C@@H](n2ccnn2)C1 ZINC001129407762 938405297 /nfs/dbraw/zinc/40/52/97/938405297.db2.gz WBYLESLEDYKPEL-ZACQAIPSSA-N 1 1 361.490 1.791 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CC(C)(C)CO2)[C@@H](n2ccnn2)C1 ZINC001129407762 938405299 /nfs/dbraw/zinc/40/52/99/938405299.db2.gz WBYLESLEDYKPEL-ZACQAIPSSA-N 1 1 361.490 1.791 20 30 FDEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)COc2ccc(C)cc2)[C@@H](n2ccnn2)C1 ZINC001129422812 938412468 /nfs/dbraw/zinc/41/24/68/938412468.db2.gz XRWQXWDMWPLTKJ-MSOLQXFVSA-N 1 1 355.442 1.583 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2cccnc2)[C@@H](n2ccnn2)C1 ZINC001129400270 938414646 /nfs/dbraw/zinc/41/46/46/938414646.db2.gz BLRXGQQXFRTOND-NXHRZFHOSA-N 1 1 370.457 1.021 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2cccnc2)[C@@H](n2ccnn2)C1 ZINC001129400270 938414648 /nfs/dbraw/zinc/41/46/48/938414648.db2.gz BLRXGQQXFRTOND-NXHRZFHOSA-N 1 1 370.457 1.021 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)COc2ccc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001129433645 938423637 /nfs/dbraw/zinc/42/36/37/938423637.db2.gz KEBSJSHGYNEDIS-MSOLQXFVSA-N 1 1 369.469 1.892 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)COc2ccc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001129433645 938423638 /nfs/dbraw/zinc/42/36/38/938423638.db2.gz KEBSJSHGYNEDIS-MSOLQXFVSA-N 1 1 369.469 1.892 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)COc2ccccc2OC)[C@@H](n2ccnn2)C1 ZINC001129438029 938425168 /nfs/dbraw/zinc/42/51/68/938425168.db2.gz LSXBPLJHFOMQSD-CVEARBPZSA-N 1 1 371.441 1.283 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)COc2ccccc2OC)[C@@H](n2ccnn2)C1 ZINC001129438029 938425169 /nfs/dbraw/zinc/42/51/69/938425169.db2.gz LSXBPLJHFOMQSD-CVEARBPZSA-N 1 1 371.441 1.283 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)COc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129438113 938425258 /nfs/dbraw/zinc/42/52/58/938425258.db2.gz OUSYMAODGZQGFR-QRQLOZEOSA-N 1 1 367.453 1.358 20 30 FDEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)COc2cccc(C)c2)[C@@H](n2ccnn2)C1 ZINC001129437895 938425290 /nfs/dbraw/zinc/42/52/90/938425290.db2.gz IRZDNLJVLWQVLM-MSOLQXFVSA-N 1 1 355.442 1.583 20 30 FDEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](Cc2ccccc2)OC)[C@@H](n2ccnn2)C1 ZINC001129440870 938426121 /nfs/dbraw/zinc/42/61/21/938426121.db2.gz ABFVKAPIKOQYEJ-FGTMMUONSA-N 1 1 355.442 1.063 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](Cc2ccccc2)OC)[C@@H](n2ccnn2)C1 ZINC001129440870 938426126 /nfs/dbraw/zinc/42/61/26/938426126.db2.gz ABFVKAPIKOQYEJ-FGTMMUONSA-N 1 1 355.442 1.063 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CCOCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129441624 938426962 /nfs/dbraw/zinc/42/69/62/938426962.db2.gz YJYCRDOCYRIERL-MSOLQXFVSA-N 1 1 355.442 1.413 20 30 FDEDMO C=CC[N@H+]1C[C@@H](NC(=O)CCOCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129441624 938426967 /nfs/dbraw/zinc/42/69/67/938426967.db2.gz YJYCRDOCYRIERL-MSOLQXFVSA-N 1 1 355.442 1.413 20 30 FDEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](OC)c2ccc(F)cc2)[C@@H](n2ccnn2)C1 ZINC001129476599 938432355 /nfs/dbraw/zinc/43/23/55/938432355.db2.gz KQKAKYFWOZJCAR-IKGGRYGDSA-N 1 1 359.405 1.332 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](OC)c2ccc(F)cc2)[C@@H](n2ccnn2)C1 ZINC001129476599 938432358 /nfs/dbraw/zinc/43/23/58/938432358.db2.gz KQKAKYFWOZJCAR-IKGGRYGDSA-N 1 1 359.405 1.332 20 30 FDEDMO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@@H]1n1ccnn1 ZINC001129481475 938434411 /nfs/dbraw/zinc/43/44/11/938434411.db2.gz LWHBVNHPZWJQHU-JQHSSLGASA-N 1 1 361.490 1.791 20 30 FDEDMO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@@H]1n1ccnn1 ZINC001129482382 938434616 /nfs/dbraw/zinc/43/46/16/938434616.db2.gz VJLHSAUWFRFZPO-JQHSSLGASA-N 1 1 361.490 1.791 20 30 FDEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H](OC(C)C)c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129495890 938443581 /nfs/dbraw/zinc/44/35/81/938443581.db2.gz AHUMLFJWBAAQEI-CEXWTWQISA-N 1 1 369.469 1.972 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](OC(C)C)c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129495890 938443583 /nfs/dbraw/zinc/44/35/83/938443583.db2.gz AHUMLFJWBAAQEI-CEXWTWQISA-N 1 1 369.469 1.972 20 30 FDEDMO C#CCNc1nc(NC[C@@]2(C)CCCO2)nc(NC[C@@]2(C)CCCO2)[nH+]1 ZINC000804540967 938466767 /nfs/dbraw/zinc/46/67/67/938466767.db2.gz KGLSCSTZHUNRQU-QZTJIDSGSA-N 1 1 360.462 1.879 20 30 FDEDMO CO[C@H](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C#N)[C@@H](n2ccnn2)C1 ZINC001129675874 938490802 /nfs/dbraw/zinc/49/08/02/938490802.db2.gz ZLEMLTBKOGUQFV-OLMNPRSZSA-N 1 1 368.441 1.116 20 30 FDEDMO CC(C)C#CC(=O)N1C[C@@H]([NH2+]Cc2cc(C3CC3)no2)[C@@H](n2ccnn2)C1 ZINC001129822565 938522264 /nfs/dbraw/zinc/52/22/64/938522264.db2.gz XNJBYVMOINYKDZ-MSOLQXFVSA-N 1 1 368.441 1.345 20 30 FDEDMO C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2c(C)noc2CC)[C@@H](n2ccnn2)C1 ZINC001129834307 938533449 /nfs/dbraw/zinc/53/34/49/938533449.db2.gz UGWKOYJERLLVKO-SJORKVTESA-N 1 1 370.457 1.482 20 30 FDEDMO C#CCC1(C(=O)N2C[C@@H]([NH2+]Cc3conc3C)[C@@H](n3ccnn3)C2)CCC1 ZINC001129894802 938556026 /nfs/dbraw/zinc/55/60/26/938556026.db2.gz TYMRDMIAZBLBDV-SJORKVTESA-N 1 1 368.441 1.310 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130137132 938710116 /nfs/dbraw/zinc/71/01/16/938710116.db2.gz KUVUQMZVJAJACM-MOPGFXCFSA-N 1 1 366.469 1.018 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccnc2)n1 ZINC001130177776 938725635 /nfs/dbraw/zinc/72/56/35/938725635.db2.gz UEJAGLHLPONKLR-GJZGRUSLSA-N 1 1 356.430 1.168 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccnc2)n[nH]1 ZINC001130177776 938725637 /nfs/dbraw/zinc/72/56/37/938725637.db2.gz UEJAGLHLPONKLR-GJZGRUSLSA-N 1 1 356.430 1.168 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCO2)n1 ZINC001130181942 938729160 /nfs/dbraw/zinc/72/91/60/938729160.db2.gz YTLRHPYNEIIVPO-ZNMIVQPWSA-N 1 1 363.462 1.028 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CCCO2)n[nH]1 ZINC001130181942 938729162 /nfs/dbraw/zinc/72/91/62/938729162.db2.gz YTLRHPYNEIIVPO-ZNMIVQPWSA-N 1 1 363.462 1.028 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(C)c2)[nH]1 ZINC001130187744 938733951 /nfs/dbraw/zinc/73/39/51/938733951.db2.gz HDBDNDIKPQVLMD-IRXDYDNUSA-N 1 1 367.453 1.529 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=C2CCCCC2)[nH]1 ZINC001130190553 938735445 /nfs/dbraw/zinc/73/54/45/938735445.db2.gz FNXLPTUIMKUBNK-HOTGVXAUSA-N 1 1 357.458 1.407 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=C2CCCCC2)n[nH]1 ZINC001130190553 938735448 /nfs/dbraw/zinc/73/54/48/938735448.db2.gz FNXLPTUIMKUBNK-HOTGVXAUSA-N 1 1 357.458 1.407 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](C)OC)[nH]1 ZINC001130193023 938737395 /nfs/dbraw/zinc/73/73/95/938737395.db2.gz FMXXUQYNLXUILH-AVGNSLFASA-N 1 1 371.869 1.061 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H](C)C(C)C)n1 ZINC001130193271 938737784 /nfs/dbraw/zinc/73/77/84/938737784.db2.gz PVKXVUPESGBZIE-PMPSAXMXSA-N 1 1 361.490 1.589 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H](C)C(C)C)n[nH]1 ZINC001130193271 938737786 /nfs/dbraw/zinc/73/77/86/938737786.db2.gz PVKXVUPESGBZIE-PMPSAXMXSA-N 1 1 361.490 1.589 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(C)C)[nH]1 ZINC001130183203 938742798 /nfs/dbraw/zinc/74/27/98/938742798.db2.gz WCOPBWNRUUGMDL-STQMWFEESA-N 1 1 355.870 1.682 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccc(C)n2)n1 ZINC001130185036 938744202 /nfs/dbraw/zinc/74/42/02/938744202.db2.gz SZQIYWHIHWTOMX-HOCLYGCPSA-N 1 1 370.457 1.476 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccc(C)n2)n[nH]1 ZINC001130185036 938744204 /nfs/dbraw/zinc/74/42/04/938744204.db2.gz SZQIYWHIHWTOMX-HOCLYGCPSA-N 1 1 370.457 1.476 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)/C=C/C2CC2)n1 ZINC001130203217 938744995 /nfs/dbraw/zinc/74/49/95/938744995.db2.gz UCDQCXRUPIQJRQ-DKLOGILVSA-N 1 1 359.474 1.815 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=CC2CC2)n[nH]1 ZINC001130203217 938744996 /nfs/dbraw/zinc/74/49/96/938744996.db2.gz UCDQCXRUPIQJRQ-DKLOGILVSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[C@H](C)OC)n1 ZINC001130204755 938745650 /nfs/dbraw/zinc/74/56/50/938745650.db2.gz JDLLUSZJVCCQDN-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[C@H](C)OC)n[nH]1 ZINC001130204755 938745652 /nfs/dbraw/zinc/74/56/52/938745652.db2.gz JDLLUSZJVCCQDN-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccsc2C)n1 ZINC001130209624 938747637 /nfs/dbraw/zinc/74/76/37/938747637.db2.gz HRRDPFIFLWEXHB-KBPBESRZSA-N 1 1 361.471 1.753 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccsc2C)n[nH]1 ZINC001130209624 938747638 /nfs/dbraw/zinc/74/76/38/938747638.db2.gz HRRDPFIFLWEXHB-KBPBESRZSA-N 1 1 361.471 1.753 20 30 FDEDMO C=CCC(CC=C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CC)[nH]1 ZINC001130212897 938749969 /nfs/dbraw/zinc/74/99/69/938749969.db2.gz JSSDPPIXVLWUKD-IRXDYDNUSA-N 1 1 371.485 1.675 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COCCCC)n1 ZINC001130202586 938755198 /nfs/dbraw/zinc/75/51/98/938755198.db2.gz DUKODDFTMVGEHS-GJZGRUSLSA-N 1 1 365.478 1.276 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COCCCC)n[nH]1 ZINC001130202586 938755201 /nfs/dbraw/zinc/75/52/01/938755201.db2.gz DUKODDFTMVGEHS-GJZGRUSLSA-N 1 1 365.478 1.276 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2[nH]c(C)cc2C)n1 ZINC001130222937 938757114 /nfs/dbraw/zinc/75/71/14/938757114.db2.gz JDWAJNIXKUUEDQ-KBPBESRZSA-N 1 1 358.446 1.328 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2[nH]c(C)cc2C)n[nH]1 ZINC001130222937 938757115 /nfs/dbraw/zinc/75/71/15/938757115.db2.gz JDWAJNIXKUUEDQ-KBPBESRZSA-N 1 1 358.446 1.328 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCC(F)F)n1 ZINC001130222746 938757131 /nfs/dbraw/zinc/75/71/31/938757131.db2.gz CVTXFVVVQFYOJI-RYUDHWBXSA-N 1 1 357.405 1.504 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCC(F)F)n[nH]1 ZINC001130222746 938757132 /nfs/dbraw/zinc/75/71/32/938757132.db2.gz CVTXFVVVQFYOJI-RYUDHWBXSA-N 1 1 357.405 1.504 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C23CCC(CC2)C3)n1 ZINC001130223141 938757232 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BAYUACLZCYKEKE-OTAIZUJPSA-N 1 1 356.257 1.783 20 30 FDEDMO C#CCN[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130632664 939935924 /nfs/dbraw/zinc/93/59/24/939935924.db2.gz LSJOCZDNMPSXMN-FUHWJXTLSA-N 1 1 357.502 1.202 20 30 FDEDMO C=C[C@H](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001130656919 939961155 /nfs/dbraw/zinc/96/11/55/939961155.db2.gz SSBNUGZJEMJLLO-HLLBOEOZSA-N 1 1 371.489 1.235 20 30 FDEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000806737212 940032330 /nfs/dbraw/zinc/03/23/30/940032330.db2.gz QLWVJKSMNRDFOJ-QAPCUYQASA-N 1 1 363.458 1.723 20 30 FDEDMO CCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]Cc3ccc(C#N)cc3)O2)n1 ZINC001130745019 940048882 /nfs/dbraw/zinc/04/88/82/940048882.db2.gz QTTMOSNJSDSEKS-JKSUJKDBSA-N 1 1 368.441 1.712 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccccn3)n[nH]2)O1 ZINC001130749906 940057587 /nfs/dbraw/zinc/05/75/87/940057587.db2.gz VPNVDSSIIFUSJE-GOEBONIOSA-N 1 1 370.457 1.906 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccccc3)n[nH]2)O1 ZINC001130755070 940058859 /nfs/dbraw/zinc/05/88/59/940058859.db2.gz XZSXIQDVVRCEBM-JKSUJKDBSA-N 1 1 353.426 1.568 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CSCCC)n[nH]2)O1 ZINC001130761952 940068461 /nfs/dbraw/zinc/06/84/61/940068461.db2.gz JLXMMGUZHHLXMS-QWHCGFSZSA-N 1 1 353.492 1.560 20 30 FDEDMO C#Cc1cncc(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000806826277 940081355 /nfs/dbraw/zinc/08/13/55/940081355.db2.gz IZKQRTDTHLGGGX-UHFFFAOYSA-N 1 1 354.454 1.079 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COCCC)n[nH]2)O1 ZINC001130759651 940086816 /nfs/dbraw/zinc/08/68/16/940086816.db2.gz DAWPUQMPTUSDBG-UONOGXRCSA-N 1 1 351.451 1.233 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCSCC)n[nH]2)O1 ZINC001130759858 940087263 /nfs/dbraw/zinc/08/72/63/940087263.db2.gz QESDJRJAVJAJIG-UONOGXRCSA-N 1 1 365.503 1.397 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](CC)OCC)n[nH]2)O1 ZINC001130765002 940094312 /nfs/dbraw/zinc/09/43/12/940094312.db2.gz CJTFGVBWWJLOES-RRFJBIMHSA-N 1 1 365.478 1.622 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cncnc3C)n[nH]2)O1 ZINC001130767157 940099858 /nfs/dbraw/zinc/09/98/58/940099858.db2.gz AKJKZPNNNZOYIU-DZGCQCFKSA-N 1 1 371.445 1.219 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccc(C)c3F)n[nH]2)O1 ZINC001130785117 940119484 /nfs/dbraw/zinc/11/94/84/940119484.db2.gz DXFOJWKDKHBTKK-DZGCQCFKSA-N 1 1 371.416 1.625 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccns3)n[nH]2)O1 ZINC001130785227 940119524 /nfs/dbraw/zinc/11/95/24/940119524.db2.gz GUTWKHQVQLTUGS-NWDGAFQWSA-N 1 1 362.459 1.577 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc[nH]c3)n[nH]2)O1 ZINC001130785116 940119532 /nfs/dbraw/zinc/11/95/32/940119532.db2.gz DWBGVVFRRICDOI-LSDHHAIUSA-N 1 1 358.446 1.839 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](CC)SC)n[nH]2)O1 ZINC001130777195 940128269 /nfs/dbraw/zinc/12/82/69/940128269.db2.gz WEGOGLLNNLFHCN-BFHYXJOUSA-N 1 1 367.519 1.948 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(C)=C3CCCC3)n[nH]2)O1 ZINC001130777202 940128350 /nfs/dbraw/zinc/12/83/50/940128350.db2.gz WKXQHEGNHYHYKA-JKSUJKDBSA-N 1 1 357.458 1.754 20 30 FDEDMO C=CCC(CC=C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1 ZINC001130787202 940154728 /nfs/dbraw/zinc/15/47/28/940154728.db2.gz DUAIRMFTMNAQFF-LSDHHAIUSA-N 1 1 365.453 1.969 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CCC3(F)F)n[nH]2)O1 ZINC001130787248 940155575 /nfs/dbraw/zinc/15/55/75/940155575.db2.gz HGRIKQBRSCLLCR-RWMBFGLXSA-N 1 1 369.416 1.852 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3C=CC=CC=C3)n[nH]2)O1 ZINC001130787281 940155919 /nfs/dbraw/zinc/15/59/19/940155919.db2.gz IUXHRETVEHTILJ-DLBZAZTESA-N 1 1 367.453 1.552 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@]34C[C@@H]3CCCC4)n[nH]2)O1 ZINC001130806958 940181604 /nfs/dbraw/zinc/18/16/04/940181604.db2.gz NUSZDKXQPOPPFI-ZTENYAIWSA-N 1 1 357.458 1.444 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)C(C)(F)F)n[nH]2)O1 ZINC001130809103 940185512 /nfs/dbraw/zinc/18/55/12/940185512.db2.gz HKGAWGAVUALXCS-RWMBFGLXSA-N 1 1 369.416 1.545 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](CCC)OC)n[nH]2)O1 ZINC001130799291 940191292 /nfs/dbraw/zinc/19/12/92/940191292.db2.gz AJAPMCBHJBJRML-ZNMIVQPWSA-N 1 1 363.462 1.069 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)OCC=C)n[nH]2)O1 ZINC001130821696 940202820 /nfs/dbraw/zinc/20/28/20/940202820.db2.gz AFWCFEWTDBOZJK-QLFBSQMISA-N 1 1 363.462 1.398 20 30 FDEDMO C=CCCOCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n1 ZINC001130823784 940204018 /nfs/dbraw/zinc/20/40/18/940204018.db2.gz WXNYYXAWOYECAO-UONOGXRCSA-N 1 1 351.451 1.232 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H](C)COC)n[nH]2)O1 ZINC001130813651 940212693 /nfs/dbraw/zinc/21/26/93/940212693.db2.gz WBHIACMIKDUSMC-SOUVJXGZSA-N 1 1 365.478 1.479 20 30 FDEDMO 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/nfs/dbraw/zinc/30/99/14/968309914.db2.gz HYSWJMVOWOVGNA-VQTJNVASSA-N 1 1 369.509 1.659 20 30 FDEDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(C#CC(C)(C)O)cc1 ZINC001191167218 968309922 /nfs/dbraw/zinc/30/99/22/968309922.db2.gz HYSWJMVOWOVGNA-VQTJNVASSA-N 1 1 369.509 1.659 20 30 FDEDMO CCc1noc(CC)c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#CCOC ZINC001110675148 968501509 /nfs/dbraw/zinc/50/15/09/968501509.db2.gz HAQUMJVZQGJSBY-OLMNPRSZSA-N 1 1 359.470 1.713 20 30 FDEDMO CCc1noc(CC)c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#CCOC ZINC001110675148 968501518 /nfs/dbraw/zinc/50/15/18/968501518.db2.gz HAQUMJVZQGJSBY-OLMNPRSZSA-N 1 1 359.470 1.713 20 30 FDEDMO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOc2ccc(C)cc2)C[C@H]1O ZINC001191622711 968631202 /nfs/dbraw/zinc/63/12/02/968631202.db2.gz WYOCAKRTEVZZNX-BHIYHBOVSA-N 1 1 362.470 1.516 20 30 FDEDMO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(C)cc2)C[C@H]1O ZINC001191622711 968631208 /nfs/dbraw/zinc/63/12/08/968631208.db2.gz WYOCAKRTEVZZNX-BHIYHBOVSA-N 1 1 362.470 1.516 20 30 FDEDMO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@H]1O ZINC001191597853 968647812 /nfs/dbraw/zinc/64/78/12/968647812.db2.gz FKUVQNRPTAYDIQ-SZVBFZGTSA-N 1 1 361.486 1.395 20 30 FDEDMO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCc2csc(C)n2)C[C@H]1O ZINC001191614067 968666931 /nfs/dbraw/zinc/66/69/31/968666931.db2.gz GFEMVHIPZQHZPR-DAXOMENPSA-N 1 1 353.488 1.137 20 30 FDEDMO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCc2csc(C)n2)C[C@H]1O ZINC001191614067 968666936 /nfs/dbraw/zinc/66/69/36/968666936.db2.gz GFEMVHIPZQHZPR-DAXOMENPSA-N 1 1 353.488 1.137 20 30 FDEDMO C#CCN(CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)OC(C)(C)C ZINC000854250488 968712720 /nfs/dbraw/zinc/71/27/20/968712720.db2.gz PXNOKKCEKHWPRR-MRXNPFEDSA-N 1 1 365.474 1.180 20 30 FDEDMO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CCOc2ccc(C(F)(F)F)cc2)C[C@H]1O ZINC001191881865 968833401 /nfs/dbraw/zinc/83/34/01/968833401.db2.gz JRXPICBHMAUWOD-NILFDRSVSA-N 1 1 371.359 1.405 20 30 FDEDMO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C[C@H]1O ZINC001191881865 968833405 /nfs/dbraw/zinc/83/34/05/968833405.db2.gz JRXPICBHMAUWOD-NILFDRSVSA-N 1 1 371.359 1.405 20 30 FDEDMO COCCC[N@H+](C[C@@H](O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC001192013338 968905547 /nfs/dbraw/zinc/90/55/47/968905547.db2.gz MEDZWQIFXCINIM-DLBZAZTESA-N 1 1 352.456 1.117 20 30 FDEDMO COCCC[N@@H+](C[C@@H](O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC001192013338 968905555 /nfs/dbraw/zinc/90/55/55/968905555.db2.gz MEDZWQIFXCINIM-DLBZAZTESA-N 1 1 352.456 1.117 20 30 FDEDMO C=CCOCCCC(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1O ZINC001192053774 968930730 /nfs/dbraw/zinc/93/07/30/968930730.db2.gz FFNDVFNCDWNFJY-RTBURBONSA-N 1 1 362.470 1.347 20 30 FDEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001192332315 969068763 /nfs/dbraw/zinc/06/87/63/969068763.db2.gz GEOMYBDPEUSSLT-KURKYZTESA-N 1 1 363.502 1.655 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC2CCCCC2)C1 ZINC001192425504 969101544 /nfs/dbraw/zinc/10/15/44/969101544.db2.gz GXJPWFFUTIZKJF-KURKYZTESA-N 1 1 363.502 1.559 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC2CCCCC2)C1 ZINC001192425504 969101551 /nfs/dbraw/zinc/10/15/51/969101551.db2.gz GXJPWFFUTIZKJF-KURKYZTESA-N 1 1 363.502 1.559 20 30 FDEDMO CC[C@@H]1C[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#Cc2ccccc2)C1 ZINC001192436435 969124685 /nfs/dbraw/zinc/12/46/85/969124685.db2.gz WLFLPYWLDYNDNW-HSALFYBXSA-N 1 1 367.493 1.733 20 30 FDEDMO CC[C@@H]1C[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC#Cc2ccccc2)C1 ZINC001192436435 969124694 /nfs/dbraw/zinc/12/46/94/969124694.db2.gz WLFLPYWLDYNDNW-HSALFYBXSA-N 1 1 367.493 1.733 20 30 FDEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2OC(C)C)C[C@H]1O ZINC001192525025 969170950 /nfs/dbraw/zinc/17/09/50/969170950.db2.gz PCJZIMGTFSQRRI-MBOZVWFJSA-N 1 1 362.470 1.462 20 30 FDEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2OC(C)C)C[C@H]1O ZINC001192525025 969170954 /nfs/dbraw/zinc/17/09/54/969170954.db2.gz PCJZIMGTFSQRRI-MBOZVWFJSA-N 1 1 362.470 1.462 20 30 FDEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCCc2ccccc2Cl)C[C@H]1O ZINC001192530960 969175257 /nfs/dbraw/zinc/17/52/57/969175257.db2.gz RFKAKIZQNKYBCJ-LMMKCTJWSA-N 1 1 366.889 1.761 20 30 FDEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1O ZINC001192531648 969176986 /nfs/dbraw/zinc/17/69/86/969176986.db2.gz ZCQHZAISTWJRSP-ZHALLVOQSA-N 1 1 354.491 1.072 20 30 FDEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(N2C(=O)C=CC2=O)cc1 ZINC001192625027 969211762 /nfs/dbraw/zinc/21/17/62/969211762.db2.gz DSARBBCRVCHWFH-INIZCTEOSA-N 1 1 354.410 1.888 20 30 FDEDMO CCC(CC)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2 ZINC001110449864 969279167 /nfs/dbraw/zinc/27/91/67/969279167.db2.gz GFRLJAJGLFUBIY-XFHKCVFHSA-N 1 1 371.485 1.915 20 30 FDEDMO CCC(CC)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2 ZINC001110449864 969279174 /nfs/dbraw/zinc/27/91/74/969279174.db2.gz GFRLJAJGLFUBIY-XFHKCVFHSA-N 1 1 371.485 1.915 20 30 FDEDMO N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](O)CC(F)(F)F)[nH]1 ZINC001110450031 969282402 /nfs/dbraw/zinc/28/24/02/969282402.db2.gz NTQYGFHPEWYPBS-WVWOOGAGSA-N 1 1 356.348 1.535 20 30 FDEDMO N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H](O)CC(F)(F)F)[nH]1 ZINC001110450031 969282408 /nfs/dbraw/zinc/28/24/08/969282408.db2.gz NTQYGFHPEWYPBS-WVWOOGAGSA-N 1 1 356.348 1.535 20 30 FDEDMO CCCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2 ZINC001110450220 969304090 /nfs/dbraw/zinc/30/40/90/969304090.db2.gz YANAGUYJOGDIRX-JFOHDYCDSA-N 1 1 357.458 1.526 20 30 FDEDMO CCCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2 ZINC001110450220 969304095 /nfs/dbraw/zinc/30/40/95/969304095.db2.gz YANAGUYJOGDIRX-JFOHDYCDSA-N 1 1 357.458 1.526 20 30 FDEDMO COc1cccc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C2)c1 ZINC001192814166 969313966 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350.846 1.348 20 30 FDEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C)C[C@H]1O ZINC001192891701 969351278 /nfs/dbraw/zinc/35/12/78/969351278.db2.gz PBDDHRCDJCAHBU-IAOVAPTHSA-N 1 1 350.846 1.348 20 30 FDEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccccc2Cl)C[C@H]1O ZINC001192878953 969366417 /nfs/dbraw/zinc/36/64/17/969366417.db2.gz PARNRUYJPIURIA-IAOVAPTHSA-N 1 1 350.846 1.602 20 30 FDEDMO C#CCOCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2Cl)C[C@H]1O ZINC001192878953 969366422 /nfs/dbraw/zinc/36/64/22/969366422.db2.gz PARNRUYJPIURIA-IAOVAPTHSA-N 1 1 350.846 1.602 20 30 FDEDMO C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1O ZINC001192925167 969383764 /nfs/dbraw/zinc/38/37/64/969383764.db2.gz WCVPAKCMQCNEQL-QZTJIDSGSA-N 1 1 356.507 1.583 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc([C@@H]3CCCO3)n2)C1 ZINC001192990215 969396251 /nfs/dbraw/zinc/39/62/51/969396251.db2.gz VVINUBUPUYPDKC-YUELXQCFSA-N 1 1 351.472 1.736 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)Cc2cccc(F)c2)C1 ZINC001192977406 969414372 /nfs/dbraw/zinc/41/43/72/969414372.db2.gz DZYDBFKKWYPPCN-ATZDWAIDSA-N 1 1 364.461 1.758 20 30 FDEDMO C[C@@H](C#N)S(=O)(=O)N1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001193120884 969485758 /nfs/dbraw/zinc/48/57/58/969485758.db2.gz DASKCCZTIYMSSN-AWEZNQCLSA-N 1 1 351.476 1.092 20 30 FDEDMO C[C@@H](C#N)S(=O)(=O)N1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001193120884 969485765 /nfs/dbraw/zinc/48/57/65/969485765.db2.gz DASKCCZTIYMSSN-AWEZNQCLSA-N 1 1 351.476 1.092 20 30 FDEDMO COc1ccc(N2CC[NH+](CCCNS(=O)(=O)[C@@H](C)C#N)CC2)cc1 ZINC001193159452 969519556 /nfs/dbraw/zinc/51/95/56/969519556.db2.gz HEEICUGJPVAEPB-HNNXBMFYSA-N 1 1 366.487 1.039 20 30 FDEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(NC(C)=O)c2)C[C@H]1O ZINC001193320730 969635754 /nfs/dbraw/zinc/63/57/54/969635754.db2.gz XNZBJKLSDZJRMF-QZTJIDSGSA-N 1 1 359.470 1.909 20 30 FDEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(NC(C)=O)c2)C[C@H]1O ZINC001193320730 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359.474 1.630 20 30 FDEDMO Cc1ncc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)cc1C#N ZINC000565246197 547273452 /nfs/dbraw/zinc/27/34/52/547273452.db2.gz NXYDYXZRCMWDSC-KRWDZBQOSA-N 1 1 360.414 1.736 20 30 FDEDMO Cc1csc(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1C#N ZINC000565841760 547504512 /nfs/dbraw/zinc/50/45/12/547504512.db2.gz KGLJOYGJIWVIGB-CQSZACIVSA-N 1 1 363.487 1.992 20 30 FDEDMO N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2nccn2CC(F)(F)F)cc1 ZINC000566107704 547607055 /nfs/dbraw/zinc/60/70/55/547607055.db2.gz NWVRTWFUGLMQHZ-ZDUSSCGKSA-N 1 1 354.332 1.847 20 30 FDEDMO C=C(C)Cn1c(-c2scnc2C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000566218607 547664903 /nfs/dbraw/zinc/66/49/03/547664903.db2.gz VLDWQMRAXDQIOE-AWEZNQCLSA-N 1 1 360.487 1.807 20 30 FDEDMO C=C(C)Cn1c(-c2scnc2C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000566218607 547664908 /nfs/dbraw/zinc/66/49/08/547664908.db2.gz VLDWQMRAXDQIOE-AWEZNQCLSA-N 1 1 360.487 1.807 20 30 FDEDMO C[C@@H]1CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC[N@H+](C2CC2)C1 ZINC000566544022 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FDEDMO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(O[C@@H]4CCOC4)CC3)C2=O)cc1 ZINC000577322661 550644006 /nfs/dbraw/zinc/64/40/06/550644006.db2.gz DXYSHWXCPRTJEF-MOPGFXCFSA-N 1 1 355.438 1.933 20 30 FDEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCc2ccc(CC#N)cc2)C1 ZINC000577508701 550664589 /nfs/dbraw/zinc/66/45/89/550664589.db2.gz WSORSXWPOXRMSQ-QGZVFWFLSA-N 1 1 370.497 1.997 20 30 FDEDMO N#Cc1cc2c(n(CCn3cncn3)c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000577627913 550677604 /nfs/dbraw/zinc/67/76/04/550677604.db2.gz LQIAJAYITYUIJJ-UHFFFAOYSA-N 1 1 360.421 1.570 20 30 FDEDMO N#CCc1ccc(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000577725173 550687907 /nfs/dbraw/zinc/68/79/07/550687907.db2.gz GZXNVWCKDWORHZ-QGZVFWFLSA-N 1 1 357.458 1.139 20 30 FDEDMO N#Cc1cccnc1N1CC[NH+](C[C@@H]2CN(c3ccccc3)CCO2)CC1 ZINC000578783628 550801723 /nfs/dbraw/zinc/80/17/23/550801723.db2.gz CJRYILWGDDUVED-HXUWFJFHSA-N 1 1 363.465 1.981 20 30 FDEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000579369294 550866447 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ZINC001130184962 938744022 /nfs/dbraw/zinc/74/40/22/938744022.db2.gz OLMHQHGXUAFSCH-JQWIXIFHSA-N 1 1 363.805 1.076 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C=Cc2ccc[nH]2)n1 ZINC001130205159 938745973 /nfs/dbraw/zinc/74/59/73/938745973.db2.gz SNLLOZSVOQJSNF-DKLOGILVSA-N 1 1 370.457 1.501 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=Cc2ccc[nH]2)n[nH]1 ZINC001130205159 938745974 /nfs/dbraw/zinc/74/59/74/938745974.db2.gz SNLLOZSVOQJSNF-DKLOGILVSA-N 1 1 370.457 1.501 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2[nH]ccc2C)n1 ZINC001130207540 938746618 /nfs/dbraw/zinc/74/66/18/938746618.db2.gz FTFWCQNZYDZKHZ-KBPBESRZSA-N 1 1 358.446 1.409 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2[nH]ccc2C)n[nH]1 ZINC001130207540 938746619 /nfs/dbraw/zinc/74/66/19/938746619.db2.gz FTFWCQNZYDZKHZ-KBPBESRZSA-N 1 1 358.446 1.409 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c(C)coc2C)n1 ZINC001130207923 938747242 /nfs/dbraw/zinc/74/72/42/938747242.db2.gz WNQNSUGHDFJZTL-KBPBESRZSA-N 1 1 359.430 1.593 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c(C)coc2C)n[nH]1 ZINC001130207923 938747244 /nfs/dbraw/zinc/74/72/44/938747244.db2.gz WNQNSUGHDFJZTL-KBPBESRZSA-N 1 1 359.430 1.593 20 30 FDEDMO CC(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC2CC2)n1 ZINC001130212969 938749938 /nfs/dbraw/zinc/74/99/38/938749938.db2.gz NDFSEEUWVNANRY-HOTGVXAUSA-N 1 1 359.474 1.343 20 30 FDEDMO CC(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC2CC2)n[nH]1 ZINC001130212969 938749939 /nfs/dbraw/zinc/74/99/39/938749939.db2.gz NDFSEEUWVNANRY-HOTGVXAUSA-N 1 1 359.474 1.343 20 30 FDEDMO C=CC(C)(C)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130215999 938752414 /nfs/dbraw/zinc/75/24/14/938752414.db2.gz LYJYGKXAQRMCSY-GJZGRUSLSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CC(C)(C)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1 ZINC001130215999 938752416 /nfs/dbraw/zinc/75/24/16/938752416.db2.gz LYJYGKXAQRMCSY-GJZGRUSLSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccns2)n1 ZINC001130216453 938752949 /nfs/dbraw/zinc/75/29/49/938752949.db2.gz XSLKAUOOJSTJQK-RYUDHWBXSA-N 1 1 362.459 1.229 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccns2)n[nH]1 ZINC001130216453 938752950 /nfs/dbraw/zinc/75/29/50/938752950.db2.gz XSLKAUOOJSTJQK-RYUDHWBXSA-N 1 1 362.459 1.229 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCCO2)n1 ZINC001130200305 938754194 /nfs/dbraw/zinc/75/41/94/938754194.db2.gz HBTFANYXFAQVOI-ZNMIVQPWSA-N 1 1 363.462 1.028 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CCCCO2)n[nH]1 ZINC001130200305 938754196 /nfs/dbraw/zinc/75/41/96/938754196.db2.gz HBTFANYXFAQVOI-ZNMIVQPWSA-N 1 1 363.462 1.028 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)/C=C/C(C)(C)C)n1 ZINC001130202781 938755437 /nfs/dbraw/zinc/75/54/37/938755437.db2.gz KPAPYIASUSMZFL-LADOHOGBSA-N 1 1 359.474 1.509 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=CC(C)(C)C)n[nH]1 ZINC001130202781 938755438 /nfs/dbraw/zinc/75/54/38/938755438.db2.gz KPAPYIASUSMZFL-LADOHOGBSA-N 1 1 359.474 1.509 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C=C)cc2)[nH]1 ZINC001130239878 938756137 /nfs/dbraw/zinc/75/61/37/938756137.db2.gz BGRINMAURXEWDH-IRXDYDNUSA-N 1 1 365.437 1.473 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C=C)cc2)n[nH]1 ZINC001130239878 938756138 /nfs/dbraw/zinc/75/61/38/938756138.db2.gz BGRINMAURXEWDH-IRXDYDNUSA-N 1 1 365.437 1.473 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]23C[C@H]2CCCC3)[nH]1 ZINC001130239941 938756239 /nfs/dbraw/zinc/75/62/39/938756239.db2.gz DURTYAPRHHYJSA-MMMWYMCRSA-N 1 1 357.458 1.097 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccc(C)cc2)[nH]1 ZINC001130223156 938757162 /nfs/dbraw/zinc/75/71/62/938757162.db2.gz ORIKUFAAURQBCS-IRXDYDNUSA-N 1 1 367.453 1.067 20 30 FDEDMO C=C(C)C(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130224903 938758885 /nfs/dbraw/zinc/75/88/85/938758885.db2.gz IGDCIIXIAKNVJI-KBPBESRZSA-N 1 1 367.469 1.845 20 30 FDEDMO C=C(C)C(C)(C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1 ZINC001130224903 938758888 /nfs/dbraw/zinc/75/88/88/938758888.db2.gz IGDCIIXIAKNVJI-KBPBESRZSA-N 1 1 367.469 1.845 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)CC(F)F)[nH]1 ZINC001130225076 938759207 /nfs/dbraw/zinc/75/92/07/938759207.db2.gz RDFXRJNAWRSNER-AVGNSLFASA-N 1 1 369.416 1.198 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](CCC)OC)n1 ZINC001130224965 938759267 /nfs/dbraw/zinc/75/92/67/938759267.db2.gz KVMMEJUUMBDSDZ-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](CCC)OC)n[nH]1 ZINC001130224965 938759268 /nfs/dbraw/zinc/75/92/68/938759268.db2.gz KVMMEJUUMBDSDZ-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[C@@H](C)O2)n1 ZINC001130240066 938760200 /nfs/dbraw/zinc/76/02/00/938760200.db2.gz GYQGCHAUHJFBCH-BARDWOONSA-N 1 1 363.462 1.027 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC[C@@H](C)O2)n[nH]1 ZINC001130240066 938760201 /nfs/dbraw/zinc/76/02/01/938760201.db2.gz GYQGCHAUHJFBCH-BARDWOONSA-N 1 1 363.462 1.027 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2CCC)n1 ZINC001130240091 938760391 /nfs/dbraw/zinc/76/03/91/938760391.db2.gz IIZUBIGZWUZDKA-QXSJWSMHSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]2CCC)n[nH]1 ZINC001130240091 938760393 /nfs/dbraw/zinc/76/03/93/938760393.db2.gz IIZUBIGZWUZDKA-QXSJWSMHSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CC(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC[C@@H](C)F)n[nH]1 ZINC001130227476 938760905 /nfs/dbraw/zinc/76/09/05/938760905.db2.gz ACDOEGIONYBMDS-RDBSUJKOSA-N 1 1 367.469 1.843 20 30 FDEDMO C=CC(C)(C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC[C@@H](C)F)n1 ZINC001130227476 938760906 /nfs/dbraw/zinc/76/09/06/938760906.db2.gz ACDOEGIONYBMDS-RDBSUJKOSA-N 1 1 367.469 1.843 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]23C[C@H]2CCC3)[nH]1 ZINC001130227720 938761903 /nfs/dbraw/zinc/76/19/03/938761903.db2.gz LSIRXQBZFNQQGO-MMMWYMCRSA-N 1 1 357.458 1.097 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)CC(=C)C)n1 ZINC001130232369 938764742 /nfs/dbraw/zinc/76/47/42/938764742.db2.gz FKEREPXZAXWFND-JYJNAYRXSA-N 1 1 359.474 1.509 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)CC(=C)C)n[nH]1 ZINC001130232369 938764743 /nfs/dbraw/zinc/76/47/43/938764743.db2.gz FKEREPXZAXWFND-JYJNAYRXSA-N 1 1 359.474 1.509 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccnc(C)c2)n1 ZINC001130244311 938770173 /nfs/dbraw/zinc/77/01/73/938770173.db2.gz GNQMIWTZKAXSFM-HOTGVXAUSA-N 1 1 370.457 1.476 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccnc(C)c2)n[nH]1 ZINC001130244311 938770175 /nfs/dbraw/zinc/77/01/75/938770175.db2.gz GNQMIWTZKAXSFM-HOTGVXAUSA-N 1 1 370.457 1.476 20 30 FDEDMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCCCSCC#N)CC1=O ZINC000805542184 938770196 /nfs/dbraw/zinc/77/01/96/938770196.db2.gz IOWGRKTVNHWTLM-GJZGRUSLSA-N 1 1 353.488 1.509 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)CCCOC)n1 ZINC001130247145 938772380 /nfs/dbraw/zinc/77/23/80/938772380.db2.gz WJEMFSFEMBGYIY-KKUMJFAQSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)CCCOC)n[nH]1 ZINC001130247145 938772381 /nfs/dbraw/zinc/77/23/81/938772381.db2.gz WJEMFSFEMBGYIY-KKUMJFAQSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)C)n1 ZINC001130249048 938773201 /nfs/dbraw/zinc/77/32/01/938773201.db2.gz HKYJAKGOLHIUCY-KBPBESRZSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)(C)C)n[nH]1 ZINC001130249048 938773202 /nfs/dbraw/zinc/77/32/02/938773202.db2.gz HKYJAKGOLHIUCY-KBPBESRZSA-N 1 1 365.478 1.132 20 30 FDEDMO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC000805761873 938826177 /nfs/dbraw/zinc/82/61/77/938826177.db2.gz JYUYYNWNMQRGFT-HZPDHXFCSA-N 1 1 352.479 1.937 20 30 FDEDMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC000805761873 938826182 /nfs/dbraw/zinc/82/61/82/938826182.db2.gz JYUYYNWNMQRGFT-HZPDHXFCSA-N 1 1 352.479 1.937 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130634929 939937093 /nfs/dbraw/zinc/93/70/93/939937093.db2.gz ADXHMJGOHNZXOT-SXLOBPIMSA-N 1 1 369.513 1.202 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](CCC)OC)C[C@H]1c1cn(C)cn1 ZINC001130639578 939941761 /nfs/dbraw/zinc/94/17/61/939941761.db2.gz KRRPIIWECYRHDK-IMJJTQAJSA-N 1 1 354.882 1.872 20 30 FDEDMO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cnc[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130690123 939979971 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JWAKZUORYJAQTI-JKSUJKDBSA-N 1 1 368.441 1.271 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cccnc3)n[nH]2)O1 ZINC001130774723 940091096 /nfs/dbraw/zinc/09/10/96/940091096.db2.gz AMAMRVVJSKCOLY-JKSUJKDBSA-N 1 1 370.457 1.444 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C#N)[nH]3)n[nH]2)O1 ZINC001130775361 940092745 /nfs/dbraw/zinc/09/27/45/940092745.db2.gz SFGZIQHTVJSARB-DZGCQCFKSA-N 1 1 369.429 1.320 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COCC3CC3)n[nH]2)O1 ZINC001130765209 940095068 /nfs/dbraw/zinc/09/50/68/940095068.db2.gz HKRBRHRLOODARQ-LSDHHAIUSA-N 1 1 363.462 1.233 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)OCC)n[nH]2)O1 ZINC001130767416 940100677 /nfs/dbraw/zinc/10/06/77/940100677.db2.gz HZNOLMFMDORWRI-QLFBSQMISA-N 1 1 365.478 1.622 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H](C)OC)n[nH]2)O1 ZINC001130769440 940106575 /nfs/dbraw/zinc/10/65/75/940106575.db2.gz JOGSIWVVGCPDFO-HZSPNIEDSA-N 1 1 351.451 1.232 20 30 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354.491 1.337 20 30 FDEDMO C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCOCCCC)C[C@H]2O)CCOCC1 ZINC001198239719 972928013 /nfs/dbraw/zinc/92/80/13/972928013.db2.gz RJWSHMRWYOMOHL-IAGOWNOFSA-N 1 1 354.491 1.337 20 30 FDEDMO C[C@@H]1C[NH+]=C(NN=C(c2ccc(Cl)c(S(N)(=O)=O)c2)C2CC2)N1 ZINC000794531997 972940907 /nfs/dbraw/zinc/94/09/07/972940907.db2.gz YBCXNHQQGCZAMT-MRVPVSSYSA-N 1 1 355.851 1.039 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@@H]1C(F)F)C2 ZINC001110508977 973126618 /nfs/dbraw/zinc/12/66/18/973126618.db2.gz XFXRMTQOHWUNAV-CWVYHPPDSA-N 1 1 367.440 1.810 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@@H]1C(F)F)C2 ZINC001110508977 973126621 /nfs/dbraw/zinc/12/66/21/973126621.db2.gz XFXRMTQOHWUNAV-CWVYHPPDSA-N 1 1 367.440 1.810 20 30 FDEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)(C)O)C2 ZINC001110510168 973174708 /nfs/dbraw/zinc/17/47/08/973174708.db2.gz AUIAXSNOYHJVFV-VQHPVUNQSA-N 1 1 365.518 1.682 20 30 FDEDMO 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/nfs/dbraw/zinc/30/61/27/878306127.db2.gz UHYLSVRIYMHSEJ-IHRRRGAJSA-N 1 1 368.478 1.622 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000265866704 878306147 /nfs/dbraw/zinc/30/61/47/878306147.db2.gz UHYLSVRIYMHSEJ-IHRRRGAJSA-N 1 1 368.478 1.622 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)Cc2c(CC)nn(C)c2CC)[C@H](OC)C1 ZINC001212419796 912354748 /nfs/dbraw/zinc/35/47/48/912354748.db2.gz CEZPONRXJNIANO-IEBWSBKVSA-N 1 1 362.518 1.869 20 30 FDEDMO C[C@H]1CC(=O)N[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001033085163 878809394 /nfs/dbraw/zinc/80/93/94/878809394.db2.gz OMJRUDJEUGHBKC-XJKCOSOUSA-N 1 1 360.483 1.567 20 30 FDEDMO C[C@H]1CC(=O)N[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001033085163 878809406 /nfs/dbraw/zinc/80/94/06/878809406.db2.gz OMJRUDJEUGHBKC-XJKCOSOUSA-N 1 1 360.483 1.567 20 30 FDEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(F)(F)F)nc3)[C@H]2C1 ZINC001083158418 912394078 /nfs/dbraw/zinc/39/40/78/912394078.db2.gz YMCXSTFRYIHOLC-UONOGXRCSA-N 1 1 353.344 1.649 20 30 FDEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(F)(F)F)nc3)[C@H]2C1 ZINC001083158418 912394094 /nfs/dbraw/zinc/39/40/94/912394094.db2.gz YMCXSTFRYIHOLC-UONOGXRCSA-N 1 1 353.344 1.649 20 30 FDEDMO C#Cc1cccc(CNC(=O)N[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000922782305 879259841 /nfs/dbraw/zinc/25/98/41/879259841.db2.gz HGIPLXILULPTDF-ANTGDGSKSA-N 1 1 355.482 1.947 20 30 FDEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)Cn3cnc4ccc(C)cc43)[C@H]2C1 ZINC001083173785 912475904 /nfs/dbraw/zinc/47/59/04/912475904.db2.gz CUWMNSBSFWSHOL-RBUKOAKNSA-N 1 1 354.454 1.832 20 30 FDEDMO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001004498676 879724902 /nfs/dbraw/zinc/72/49/02/879724902.db2.gz OODRKICCPDVERM-VNTMZGSJSA-N 1 1 360.498 1.764 20 30 FDEDMO C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001004547181 879848404 /nfs/dbraw/zinc/84/84/04/879848404.db2.gz MNGFEHYFGFITPH-OKZBNKHCSA-N 1 1 363.502 1.689 20 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C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(-c4cccnc4)on3)[C@H]2C1 ZINC001083180330 912522725 /nfs/dbraw/zinc/52/27/25/912522725.db2.gz CJEIPXIUIOCNKQ-FUHWJXTLSA-N 1 1 352.394 1.285 20 30 FDEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C3CCN(CC(F)F)CC3)[C@H]2C1 ZINC001083176620 912543193 /nfs/dbraw/zinc/54/31/93/912543193.db2.gz DRKCFGYYQVOTQG-JKSUJKDBSA-N 1 1 357.445 1.451 20 30 FDEDMO Cc1ccc(C#N)c(NC2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001060633262 880376409 /nfs/dbraw/zinc/37/64/09/880376409.db2.gz SQVQPEFVYJMUAN-AGERRDQYSA-N 1 1 371.485 1.820 20 30 FDEDMO Cc1ccc(C#N)c(NC2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001060633262 880376424 /nfs/dbraw/zinc/37/64/24/880376424.db2.gz SQVQPEFVYJMUAN-AGERRDQYSA-N 1 1 371.485 1.820 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2ccns2)[C@H](C)C1 ZINC000994102618 880749168 /nfs/dbraw/zinc/74/91/68/880749168.db2.gz VBADCGPDAPFGRF-KFWWJZLASA-N 1 1 360.483 1.065 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2ccns2)[C@H](C)C1 ZINC000994102618 880749177 /nfs/dbraw/zinc/74/91/77/880749177.db2.gz VBADCGPDAPFGRF-KFWWJZLASA-N 1 1 360.483 1.065 20 30 FDEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000994142510 880798873 /nfs/dbraw/zinc/79/88/73/880798873.db2.gz ZXBSTNJWMFYIQX-DJIMGWMZSA-N 1 1 354.454 1.385 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CCn2cccc2)C[C@H]1C ZINC000994195543 880988996 /nfs/dbraw/zinc/98/89/96/880988996.db2.gz YQNAJLRZPDBNNF-QRVBRYPASA-N 1 1 370.497 1.187 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CCn2cccc2)C[C@H]1C ZINC000994195543 880988997 /nfs/dbraw/zinc/98/89/97/880988997.db2.gz YQNAJLRZPDBNNF-QRVBRYPASA-N 1 1 370.497 1.187 20 30 FDEDMO COCC[N@H+]1CC[C@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 ZINC000265712636 912635108 /nfs/dbraw/zinc/63/51/08/912635108.db2.gz CWZYZRRPNZJPDT-RBUKOAKNSA-N 1 1 371.485 1.127 20 30 FDEDMO C#CCNC(=O)C1CC[NH+](CN2C(=O)C[C@@](C)(c3ccccc3)C2=O)CC1 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364.515 1.996 20 30 FDEDMO COc1ccc(C(C)=NNC(=S)NCCC[NH+]2CCOCC2)cc1F ZINC000917569176 883540010 /nfs/dbraw/zinc/54/00/10/883540010.db2.gz SMGXVUKRJMLVAE-UHFFFAOYSA-N 1 1 368.478 1.745 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC001033954251 883579399 /nfs/dbraw/zinc/57/93/99/883579399.db2.gz MTWDOVHVEMSFNZ-OTWHNJEPSA-N 1 1 371.481 1.799 20 30 FDEDMO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2)C[C@@H]1n1ccnn1 ZINC001128807779 883671267 /nfs/dbraw/zinc/67/12/67/883671267.db2.gz ZCWKKZIGRMIULB-MSOLQXFVSA-N 1 1 355.442 1.795 20 30 FDEDMO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2)C[C@@H]1n1ccnn1 ZINC001128807779 883671279 /nfs/dbraw/zinc/67/12/79/883671279.db2.gz ZCWKKZIGRMIULB-MSOLQXFVSA-N 1 1 355.442 1.795 20 30 FDEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)COCCOC)[C@@H](n2ccnn2)C1 ZINC001128834723 883805162 /nfs/dbraw/zinc/80/51/62/883805162.db2.gz QVDYLDKEAHIHPO-SJORKVTESA-N 1 1 367.494 1.253 20 30 FDEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](n2ccnn2)C1 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C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129461261 938436203 /nfs/dbraw/zinc/43/62/03/938436203.db2.gz SSDVCTWDHWKQMK-QYZOEREBSA-N 1 1 368.485 1.499 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)n2nc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001129485169 938440919 /nfs/dbraw/zinc/44/09/19/938440919.db2.gz YQHYREQVZMABFF-KURKYZTESA-N 1 1 371.489 1.660 20 30 FDEDMO CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@@H]1n1ccnn1 ZINC001129686166 938485285 /nfs/dbraw/zinc/48/52/85/938485285.db2.gz YGLNQCAXZIZYPI-SQNIBIBYSA-N 1 1 362.522 1.684 20 30 FDEDMO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCN2C(=O)CCC)C1 ZINC001086625036 938508940 /nfs/dbraw/zinc/50/89/40/938508940.db2.gz HSGOZWMEQXZVPX-XUVXKRRUSA-N 1 1 367.493 1.995 20 30 FDEDMO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCN2C(=O)CCC)C1 ZINC001086625036 938508943 /nfs/dbraw/zinc/50/89/43/938508943.db2.gz HSGOZWMEQXZVPX-XUVXKRRUSA-N 1 1 367.493 1.995 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129837815 938535035 /nfs/dbraw/zinc/53/50/35/938535035.db2.gz MOXGFTDFTSMQMT-CABCVRRESA-N 1 1 353.854 1.189 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001086625915 938552036 /nfs/dbraw/zinc/55/20/36/938552036.db2.gz ICGGJAXYLIMERN-QFBILLFUSA-N 1 1 364.449 1.954 20 30 FDEDMO CCCCCCC[NH2+][C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1n1ccnn1 ZINC001129954657 938576508 /nfs/dbraw/zinc/57/65/08/938576508.db2.gz YPKPBCZZBAEAHH-CABCVRRESA-N 1 1 360.466 1.330 20 30 FDEDMO C#CCCCCCC(=O)N1C[C@@H]([NH2+]Cc2cnoc2C)[C@@H](n2ccnn2)C1 ZINC001129964064 938579507 /nfs/dbraw/zinc/57/95/07/938579507.db2.gz UYONUFQPJXLDBR-MSOLQXFVSA-N 1 1 370.457 1.700 20 30 FDEDMO N#Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)CCCF)C[C@@H]1n1ccnn1 ZINC001129969453 938586696 /nfs/dbraw/zinc/58/66/96/938586696.db2.gz SXNAIHXKMBBICT-SJORKVTESA-N 1 1 356.405 1.441 20 30 FDEDMO C=C[C@@H](CC)CC(=O)N1C[C@@H]([NH2+]Cc2ocnc2C)[C@@H](n2ccnn2)C1 ZINC001129977835 938593085 /nfs/dbraw/zinc/59/30/85/938593085.db2.gz HPCUXYYHVCWIAJ-XHSDSOJGSA-N 1 1 358.446 1.719 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC(F)(F)C(F)F)C[C@@H]1n1ccnn1 ZINC001130007810 938625218 /nfs/dbraw/zinc/62/52/18/938625218.db2.gz UXGSDAUXIXABNF-ZJUUUORDSA-N 1 1 369.750 1.663 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C)s2)n1 ZINC001130177436 938724903 /nfs/dbraw/zinc/72/49/03/938724903.db2.gz AEEMQUPMZOPDAV-STQMWFEESA-N 1 1 361.471 1.753 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C)s2)n[nH]1 ZINC001130177436 938724905 /nfs/dbraw/zinc/72/49/05/938724905.db2.gz AEEMQUPMZOPDAV-STQMWFEESA-N 1 1 361.471 1.753 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cncs2)n1 ZINC001130187705 938733886 /nfs/dbraw/zinc/73/38/86/938733886.db2.gz FGHKCNYVDXLCAG-RYUDHWBXSA-N 1 1 362.459 1.229 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cncs2)n[nH]1 ZINC001130187705 938733887 /nfs/dbraw/zinc/73/38/87/938733887.db2.gz FGHKCNYVDXLCAG-RYUDHWBXSA-N 1 1 362.459 1.229 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H](C)CCC)n1 ZINC001130193177 938737840 /nfs/dbraw/zinc/73/78/40/938737840.db2.gz LSOPWVXPNRZNGD-PMPSAXMXSA-N 1 1 361.490 1.733 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H](C)CCC)n[nH]1 ZINC001130193177 938737842 /nfs/dbraw/zinc/73/78/42/938737842.db2.gz LSOPWVXPNRZNGD-PMPSAXMXSA-N 1 1 361.490 1.733 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(=O)C(C)(C)C)n1 ZINC001130198428 938740184 /nfs/dbraw/zinc/74/01/84/938740184.db2.gz KPMFFJYGQRDBMR-STQMWFEESA-N 1 1 363.462 1.074 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(=O)C(C)(C)C)n[nH]1 ZINC001130198428 938740185 /nfs/dbraw/zinc/74/01/85/938740185.db2.gz KPMFFJYGQRDBMR-STQMWFEESA-N 1 1 363.462 1.074 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=C(CC)CC)[nH]1 ZINC001130198297 938740296 /nfs/dbraw/zinc/74/02/96/938740296.db2.gz FCTDSHBISMUZCT-HOTGVXAUSA-N 1 1 359.474 1.653 20 30 FDEDMO C=C[C@](C)(O)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCC)n[nH]1 ZINC001130209674 938747587 /nfs/dbraw/zinc/74/75/87/938747587.db2.gz JWVBGZRPMDDWCD-DEYYWGMASA-N 1 1 365.478 1.010 20 30 FDEDMO C=C[C@](C)(O)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCC)n1 ZINC001130209674 938747589 /nfs/dbraw/zinc/74/75/89/938747589.db2.gz JWVBGZRPMDDWCD-DEYYWGMASA-N 1 1 365.478 1.010 20 30 FDEDMO CC(C)C#CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCC(C)C)n[nH]1 ZINC001130209978 938747971 /nfs/dbraw/zinc/74/79/71/938747971.db2.gz SLVLFJYCRKWXCF-HOTGVXAUSA-N 1 1 361.490 1.589 20 30 FDEDMO CC(C)C#CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCC(C)C)n1 ZINC001130209978 938747972 /nfs/dbraw/zinc/74/79/72/938747972.db2.gz SLVLFJYCRKWXCF-HOTGVXAUSA-N 1 1 361.490 1.589 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc[nH]c2)[nH]1 ZINC001130212896 938750090 /nfs/dbraw/zinc/75/00/90/938750090.db2.gz JRRCORQKQWALHC-STQMWFEESA-N 1 1 364.837 1.277 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C3CC3)CC2)n1 ZINC001130216290 938752796 /nfs/dbraw/zinc/75/27/96/938752796.db2.gz RRUPXMFILVHICV-GJZGRUSLSA-N 1 1 359.474 1.649 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(C3CC3)CC2)n[nH]1 ZINC001130216290 938752799 /nfs/dbraw/zinc/75/27/99/938752799.db2.gz RRUPXMFILVHICV-GJZGRUSLSA-N 1 1 359.474 1.649 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CC#C)CCC2)n1 ZINC001130216460 938753095 /nfs/dbraw/zinc/75/30/95/938753095.db2.gz XWCSRJXFRRAYLX-HOTGVXAUSA-N 1 1 369.469 1.100 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(CC#C)CCC2)n[nH]1 ZINC001130216460 938753097 /nfs/dbraw/zinc/75/30/97/938753097.db2.gz XWCSRJXFRRAYLX-HOTGVXAUSA-N 1 1 369.469 1.100 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)c(C)o2)[nH]1 ZINC001130200105 938753851 /nfs/dbraw/zinc/75/38/51/938753851.db2.gz AKBVOYOHNRIMJD-ZFWWWQNUSA-N 1 1 357.414 1.040 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)c(C)o2)n[nH]1 ZINC001130200105 938753852 /nfs/dbraw/zinc/75/38/52/938753852.db2.gz AKBVOYOHNRIMJD-ZFWWWQNUSA-N 1 1 357.414 1.040 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC2(C)C)n1 ZINC001130200843 938754490 /nfs/dbraw/zinc/75/44/90/938754490.db2.gz YDQGDEBXTMPKFH-ZNMIVQPWSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC2(C)C)n[nH]1 ZINC001130200843 938754492 /nfs/dbraw/zinc/75/44/92/938754492.db2.gz YDQGDEBXTMPKFH-ZNMIVQPWSA-N 1 1 361.490 1.895 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C(C)(C)C)n1 ZINC001130221069 938756513 /nfs/dbraw/zinc/75/65/13/938756513.db2.gz SDHVRECAIKOARL-KKUMJFAQSA-N 1 1 361.490 1.589 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)C(C)(C)C)n[nH]1 ZINC001130221069 938756515 /nfs/dbraw/zinc/75/65/15/938756515.db2.gz SDHVRECAIKOARL-KKUMJFAQSA-N 1 1 361.490 1.589 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCC23CC3)[nH]1 ZINC001130221132 938756670 /nfs/dbraw/zinc/75/66/70/938756670.db2.gz WBYMATMXEIJGCQ-XHSDSOJGSA-N 1 1 371.485 1.487 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)COC)n1 ZINC001130223578 938757391 /nfs/dbraw/zinc/75/73/91/938757391.db2.gz XSRGJIBIGDRMBX-KBPBESRZSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)(C)COC)n[nH]1 ZINC001130223578 938757393 /nfs/dbraw/zinc/75/73/93/938757393.db2.gz XSRGJIBIGDRMBX-KBPBESRZSA-N 1 1 365.478 1.132 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]23C[C@H]2CCCC3)[nH]1 ZINC001130240059 938758950 /nfs/dbraw/zinc/75/89/50/938758950.db2.gz GRLAXNCRFVHUNH-NARAOEGZSA-N 1 1 371.485 1.487 20 30 FDEDMO C#Cc1ccc(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)cc1 ZINC001130225170 938759657 /nfs/dbraw/zinc/75/96/57/938759657.db2.gz VZCGNXWZRNKTRK-HOTGVXAUSA-N 1 1 371.416 1.148 20 30 FDEDMO C#Cc1ccc(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCF)n2)cc1 ZINC001130225170 938759659 /nfs/dbraw/zinc/75/96/59/938759659.db2.gz VZCGNXWZRNKTRK-HOTGVXAUSA-N 1 1 371.416 1.148 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCC2(C)C)[nH]1 ZINC001130227711 938761587 /nfs/dbraw/zinc/76/15/87/938761587.db2.gz LDVGJXZFYPXEOO-ZNMIVQPWSA-N 1 1 359.474 1.343 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC2CC(C)(C)C2)n1 ZINC001130229907 938763269 /nfs/dbraw/zinc/76/32/69/938763269.db2.gz HGKGUHGCYKCRGY-GJZGRUSLSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC2CC(C)(C)C2)n[nH]1 ZINC001130229907 938763270 /nfs/dbraw/zinc/76/32/70/938763270.db2.gz HGKGUHGCYKCRGY-GJZGRUSLSA-N 1 1 361.490 1.895 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C3CCC3)CCC2)[nH]1 ZINC001130229935 938763276 /nfs/dbraw/zinc/76/32/76/938763276.db2.gz IZIIKKSGTZJZSL-HOTGVXAUSA-N 1 1 371.485 1.487 20 30 FDEDMO 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HEWSUXXSGOJGDU-NLWGTHIKSA-N 1 1 356.470 1.633 20 30 FDEDMO C#CCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccon1)CC2 ZINC001094436262 960441114 /nfs/dbraw/zinc/44/11/14/960441114.db2.gz HEWSUXXSGOJGDU-NLWGTHIKSA-N 1 1 356.470 1.633 20 30 FDEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCS3(=O)=O)CCC[C@@H]12 ZINC001094433027 960443875 /nfs/dbraw/zinc/44/38/75/960443875.db2.gz MEACLSKRLFSVBZ-LZLYRXPVSA-N 1 1 352.500 1.338 20 30 FDEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)c3cc(=O)[nH]c4ncn(C)c43)CCC[C@@H]12 ZINC001094433244 960444036 /nfs/dbraw/zinc/44/40/36/960444036.db2.gz ZDIZSTRZDOMVJN-FOIQADDNSA-N 1 1 367.453 1.672 20 30 FDEDMO C=CCn1cccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncnn1C)CC2 ZINC001094433476 960445912 /nfs/dbraw/zinc/44/59/12/960445912.db2.gz NAOHIIJDUOPBKM-YLJYHZDGSA-N 1 1 368.485 1.977 20 30 FDEDMO C=CCn1cccc1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncnn1C)CC2 ZINC001094433476 960445922 /nfs/dbraw/zinc/44/59/22/960445922.db2.gz NAOHIIJDUOPBKM-YLJYHZDGSA-N 1 1 368.485 1.977 20 30 FDEDMO C#CCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nccn1C)CC2 ZINC001094436865 960482499 /nfs/dbraw/zinc/48/24/99/960482499.db2.gz LBFQPGGSPFWDCR-WAOWUJCRSA-N 1 1 369.513 1.379 20 30 FDEDMO C#CCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nccn1C)CC2 ZINC001094436865 960482508 /nfs/dbraw/zinc/48/25/08/960482508.db2.gz LBFQPGGSPFWDCR-WAOWUJCRSA-N 1 1 369.513 1.379 20 30 FDEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)c3ccc(S(N)(=O)=O)o3)CCC[C@@H]12 ZINC001094459303 960558294 /nfs/dbraw/zinc/55/82/94/960558294.db2.gz IACCOICJTTYCGO-RHSMWYFYSA-N 1 1 367.471 1.478 20 30 FDEDMO C#C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)[C@H]1CCCO1 ZINC000775793479 972513141 /nfs/dbraw/zinc/51/31/41/972513141.db2.gz LEFWLQJCWBEJGC-QWHCGFSZSA-N 1 1 361.467 1.435 20 30 FDEDMO O=C(NC[C@]12CCC[C@H]1[N@@H+](CC#Cc1ccccc1)CC2)[C@H]1CCNC1=O ZINC001094487775 960576951 /nfs/dbraw/zinc/57/69/51/960576951.db2.gz AAYXVTDGINQCDU-NNMXDRDESA-N 1 1 365.477 1.535 20 30 FDEDMO C#C[C@@H]([NH2+]CC(=O)N1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCCO1 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/nfs/dbraw/zinc/83/20/31/960832031.db2.gz DTPIBNVDJDKOCF-UYAOXDASSA-N 1 1 351.454 1.966 20 30 FDEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)c3cccc(-n4cnnn4)c3)CCC[C@@H]12 ZINC001094576039 960859112 /nfs/dbraw/zinc/85/91/12/960859112.db2.gz ODSSJVUTDOJRTN-IEBWSBKVSA-N 1 1 352.442 1.823 20 30 FDEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)c3ccc(C(N)=O)cn3)CCC[C@@H]12 ZINC001094587948 960916030 /nfs/dbraw/zinc/91/60/30/960916030.db2.gz GBUKQJMZMSOUFE-CRAIPNDOSA-N 1 1 362.861 1.907 20 30 FDEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)c3c(OC)ncnc3OC)CCC[C@@H]12 ZINC001094588660 960918621 /nfs/dbraw/zinc/91/86/21/960918621.db2.gz XRVHWEPIRGCAHN-AUUYWEPGSA-N 1 1 358.442 1.492 20 30 FDEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccc4[nH]c(=O)n(C)c4c3)CCC[C@@H]12 ZINC001094592235 960925365 /nfs/dbraw/zinc/92/53/65/960925365.db2.gz KCONJTURJOIKSI-YLJYHZDGSA-N 1 1 352.438 1.887 20 30 FDEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4nnc(C)n4C3)CCC[C@@H]12 ZINC001094584849 960948380 /nfs/dbraw/zinc/94/83/80/960948380.db2.gz GYOBNQXPLFYMDK-SQGPQFPESA-N 1 1 355.486 1.533 20 30 FDEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccc4c(c3)[nH]c(=O)n4C)CCC[C@@H]12 ZINC001094585990 960950369 /nfs/dbraw/zinc/95/03/69/960950369.db2.gz AYVSLOKTSNGRQJ-YLJYHZDGSA-N 1 1 352.438 1.887 20 30 FDEDMO CCO[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001171752360 961286888 /nfs/dbraw/zinc/28/68/88/961286888.db2.gz TVHGERWSOUUMBN-OWCLPIDISA-N 1 1 367.490 1.903 20 30 FDEDMO CC(=O)N(C)[C@@H]1CC[N@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172990581 961854460 /nfs/dbraw/zinc/85/44/60/961854460.db2.gz PKXKRTIJJQOKAQ-OAGGEKHMSA-N 1 1 350.463 1.831 20 30 FDEDMO CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172984529 961868568 /nfs/dbraw/zinc/86/85/68/961868568.db2.gz LXTAGMAPNUWSIK-OAGGEKHMSA-N 1 1 350.463 1.879 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(=O)[nH]n2)C3)cc1F ZINC001095140189 962036080 /nfs/dbraw/zinc/03/60/80/962036080.db2.gz ZWCXZSFUHASNIT-COXVUDFISA-N 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/nfs/dbraw/zinc/00/40/68/260004068.db2.gz GZBWLKGCCBMCRQ-UHFFFAOYSA-N 1 1 362.480 1.958 20 30 FDEDMO C[C@@H]1CN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC[N@@H+]1CCO ZINC000367832922 260097509 /nfs/dbraw/zinc/09/75/09/260097509.db2.gz AVCNZQHLGKHFCX-ZBFHGGJFSA-N 1 1 360.433 1.049 20 30 FDEDMO C[C@@H]1CN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC[N@H+]1CCO ZINC000367832922 260097510 /nfs/dbraw/zinc/09/75/10/260097510.db2.gz AVCNZQHLGKHFCX-ZBFHGGJFSA-N 1 1 360.433 1.049 20 30 FDEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCN3CCOC[C@@H]3C1)CCC2 ZINC000368327673 260166846 /nfs/dbraw/zinc/16/68/46/260166846.db2.gz MKOUOVMEDLCQMG-ZDUSSCGKSA-N 1 1 360.483 1.453 20 30 FDEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCCC34CCOCC4)CC2)o1 ZINC000368575417 260204618 /nfs/dbraw/zinc/20/46/18/260204618.db2.gz HUPLMODGBNBWLE-UHFFFAOYSA-N 1 1 373.457 1.148 20 30 FDEDMO Cn1cc(N2CC[C@@H]([N@@H+]3CCCN(c4ccc(C#N)cc4)CC3)C2=O)cn1 ZINC000369189066 260310224 /nfs/dbraw/zinc/31/02/24/260310224.db2.gz TZBAJRWAXUAMBW-LJQANCHMSA-N 1 1 364.453 1.609 20 30 FDEDMO Cn1cc(N2CC[C@@H]([N@H+]3CCCN(c4ccc(C#N)cc4)CC3)C2=O)cn1 ZINC000369189066 260310225 /nfs/dbraw/zinc/31/02/25/260310225.db2.gz TZBAJRWAXUAMBW-LJQANCHMSA-N 1 1 364.453 1.609 20 30 FDEDMO N#Cc1ccc(OC2CN(C(=O)NC[C@@H]3C[N@@H+]4CCCC[C@H]4CO3)C2)cc1 ZINC000369421890 260363618 /nfs/dbraw/zinc/36/36/18/260363618.db2.gz CWOKBGMAWHRGPC-FUHWJXTLSA-N 1 1 370.453 1.584 20 30 FDEDMO N#Cc1ccc(OC2CN(C(=O)NC[C@@H]3C[N@H+]4CCCC[C@H]4CO3)C2)cc1 ZINC000369421890 260363619 /nfs/dbraw/zinc/36/36/19/260363619.db2.gz CWOKBGMAWHRGPC-FUHWJXTLSA-N 1 1 370.453 1.584 20 30 FDEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCOc1ccc(C#N)cc1 ZINC000373321795 261000942 /nfs/dbraw/zinc/00/09/42/261000942.db2.gz TYWVRUZDHMSSHF-INIZCTEOSA-N 1 1 372.469 1.832 20 30 FDEDMO N#Cc1c(CN2CC[NH+]([C@@H]3CCCCNC3=O)CC2)cn2ccccc12 ZINC000374083514 261075880 /nfs/dbraw/zinc/07/58/80/261075880.db2.gz XRIWZQJQXNKHPB-LJQANCHMSA-N 1 1 351.454 1.597 20 30 FDEDMO N#Cc1cccc(CNC(=O)C[NH2+][C@@]2(CO)CCOc3ccccc32)c1 ZINC000374124347 261082030 /nfs/dbraw/zinc/08/20/30/261082030.db2.gz DZIVCQOQRGPOJH-HXUWFJFHSA-N 1 1 351.406 1.434 20 30 FDEDMO C[NH+]1CCN(C(=O)[C@@H]2CC23CCN(C(=O)c2cccc(C#N)c2)CC3)CC1 ZINC000374866824 261214351 /nfs/dbraw/zinc/21/43/51/261214351.db2.gz XGMAIWMLOALEFF-SFHVURJKSA-N 1 1 366.465 1.575 20 30 FDEDMO C[C@H](C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)n1cnc(C#N)n1 ZINC000409783733 262139809 /nfs/dbraw/zinc/13/98/09/262139809.db2.gz CACSOKUQSSDXPC-WBVHZDCISA-N 1 1 352.442 1.834 20 30 FDEDMO C[C@H](NC(=O)[C@H](C)n1cnc(C#N)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000409924467 262145702 /nfs/dbraw/zinc/14/57/02/262145702.db2.gz TWYHTHWUQLAWSR-ZOBUZTSGSA-N 1 1 352.442 1.738 20 30 FDEDMO C=CCOc1ccc(C[NH+]2CCC(S(=O)(=O)NC)CC2)cc1OC ZINC000271215135 674323785 /nfs/dbraw/zinc/32/37/85/674323785.db2.gz ZTEUOZXDUUDSMI-UHFFFAOYSA-N 1 1 354.472 1.774 20 30 FDEDMO COC(=O)c1ccccc1NC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000535547022 490498903 /nfs/dbraw/zinc/49/89/03/490498903.db2.gz BVAJCZMJPHDJTB-UHFFFAOYSA-N 1 1 370.413 1.153 20 30 FDEDMO N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)n1 ZINC000543759649 490945304 /nfs/dbraw/zinc/94/53/04/490945304.db2.gz XXCHLUXVEJGXDS-INIZCTEOSA-N 1 1 354.389 1.211 20 30 FDEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000016591948 518762965 /nfs/dbraw/zinc/76/29/65/518762965.db2.gz SETOUXLVZHFAPM-UHFFFAOYSA-N 1 1 357.357 1.740 20 30 FDEDMO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000016591948 518762969 /nfs/dbraw/zinc/76/29/69/518762969.db2.gz SETOUXLVZHFAPM-UHFFFAOYSA-N 1 1 357.357 1.740 20 30 FDEDMO COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000019016022 518800201 /nfs/dbraw/zinc/80/02/01/518800201.db2.gz UKBWIVNEEHKGTG-MRXNPFEDSA-N 1 1 361.442 1.419 20 30 FDEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000029904738 519330336 /nfs/dbraw/zinc/33/03/36/519330336.db2.gz HELNUGGTKYKVDH-UHFFFAOYSA-N 1 1 374.441 1.358 20 30 FDEDMO C[NH+]1CCN(C(=O)C2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)CC1 ZINC000042191186 519686046 /nfs/dbraw/zinc/68/60/46/519686046.db2.gz QHRXJYJPEWGUTO-UHFFFAOYSA-N 1 1 357.414 1.457 20 30 FDEDMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000043329631 521855486 /nfs/dbraw/zinc/85/54/86/521855486.db2.gz HLROCEVETMHTDO-UHFFFAOYSA-N 1 1 357.458 1.966 20 30 FDEDMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000043329631 521855494 /nfs/dbraw/zinc/85/54/94/521855494.db2.gz HLROCEVETMHTDO-UHFFFAOYSA-N 1 1 357.458 1.966 20 30 FDEDMO CC[N@H+]1CCC[C@@H](CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000069472563 521885761 /nfs/dbraw/zinc/88/57/61/521885761.db2.gz IRVCIPSMZGIAFD-KRWDZBQOSA-N 1 1 363.483 1.321 20 30 FDEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000069802939 521958502 /nfs/dbraw/zinc/95/85/02/521958502.db2.gz PMMKPJNYIRUBMP-ZWKOTPCHSA-N 1 1 362.518 1.762 20 30 FDEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069802939 521958514 /nfs/dbraw/zinc/95/85/14/521958514.db2.gz PMMKPJNYIRUBMP-ZWKOTPCHSA-N 1 1 362.518 1.762 20 30 FDEDMO C[C@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[N@@H+](C)C1CC1 ZINC000057720296 522144847 /nfs/dbraw/zinc/14/48/47/522144847.db2.gz IUCLTXIOASJSQW-CYBMUJFWSA-N 1 1 364.471 1.091 20 30 FDEDMO Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000060481050 522387360 /nfs/dbraw/zinc/38/73/60/522387360.db2.gz JHJQAZCATCMIDA-GOSISDBHSA-N 1 1 352.438 1.824 20 30 FDEDMO C[C@](C#N)(NC(=O)C[NH+]1CCC(c2nnc3ccccn32)CC1)C1CC1 ZINC000072834733 522401234 /nfs/dbraw/zinc/40/12/34/522401234.db2.gz HWVULLARCWJUSX-LJQANCHMSA-N 1 1 352.442 1.717 20 30 FDEDMO C=CCN(CCc1ccccc1)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000062486707 522529917 /nfs/dbraw/zinc/52/99/17/522529917.db2.gz APSNMMJKAQYZGO-UHFFFAOYSA-N 1 1 358.486 1.637 20 30 FDEDMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000047636680 522575984 /nfs/dbraw/zinc/57/59/84/522575984.db2.gz IIURAOLUYIIMLI-UHFFFAOYSA-N 1 1 370.497 1.894 20 30 FDEDMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000047636680 522575988 /nfs/dbraw/zinc/57/59/88/522575988.db2.gz IIURAOLUYIIMLI-UHFFFAOYSA-N 1 1 370.497 1.894 20 30 FDEDMO C[C@](C#N)(NC(=O)C[NH+]1CCC(C(=O)NC2CCCCC2)CC1)C1CC1 ZINC000065965196 522929495 /nfs/dbraw/zinc/92/94/95/522929495.db2.gz SBQIQZGIIVABMD-HXUWFJFHSA-N 1 1 360.502 1.956 20 30 FDEDMO Cc1noc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000066206003 522982012 /nfs/dbraw/zinc/98/20/12/522982012.db2.gz WPFZQZLQWMXYMU-UHFFFAOYSA-N 1 1 354.414 1.667 20 30 FDEDMO CCOCCCNC(=O)C1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000051738272 523064120 /nfs/dbraw/zinc/06/41/20/523064120.db2.gz ZNXNONNCRDUEQI-LJQANCHMSA-N 1 1 366.506 1.296 20 30 FDEDMO CC(C)[N@H+](CC(=O)NCC#N)C[C@@H](O)COc1cccc2ccccc21 ZINC000066498074 523087029 /nfs/dbraw/zinc/08/70/29/523087029.db2.gz DWROXZGZSFBSJI-QGZVFWFLSA-N 1 1 355.438 1.930 20 30 FDEDMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3sccc3C#N)cc2)CC1 ZINC000052031082 523104979 /nfs/dbraw/zinc/10/49/79/523104979.db2.gz ZUDFBEFPEMQNRI-UHFFFAOYSA-N 1 1 368.462 1.937 20 30 FDEDMO N#Cc1ccnc(N2CCN(C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)CC2)c1 ZINC000076984219 523223600 /nfs/dbraw/zinc/22/36/00/523223600.db2.gz QGLIBIMGOOOHIY-KRWDZBQOSA-N 1 1 368.485 1.802 20 30 FDEDMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3sccc3C#N)CC2)CC1 ZINC000066858297 523227924 /nfs/dbraw/zinc/22/79/24/523227924.db2.gz OCEXWLHWGRBYJB-UHFFFAOYSA-N 1 1 360.483 1.636 20 30 FDEDMO C=CCCO[C@H](C)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000066858616 523228582 /nfs/dbraw/zinc/22/85/82/523228582.db2.gz DRPWDECBJKEDEP-MRXNPFEDSA-N 1 1 351.491 1.370 20 30 FDEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000077236682 523274876 /nfs/dbraw/zinc/27/48/76/523274876.db2.gz HQZSEWGQURSRMF-HNNXBMFYSA-N 1 1 367.453 1.056 20 30 FDEDMO C=CCNC(=O)NC(=O)C[N@H+](Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000053229046 523374322 /nfs/dbraw/zinc/37/43/22/523374322.db2.gz OACZYTXZFQBUAL-QGZVFWFLSA-N 1 1 361.442 1.688 20 30 FDEDMO C=CCNC(=O)NC(=O)C[N@@H+](Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000053229046 523374326 /nfs/dbraw/zinc/37/43/26/523374326.db2.gz OACZYTXZFQBUAL-QGZVFWFLSA-N 1 1 361.442 1.688 20 30 FDEDMO CCC[N@H+]1CC[C@H](CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000067280745 523378769 /nfs/dbraw/zinc/37/87/69/523378769.db2.gz UAMKWAFZLSDBCM-QGZVFWFLSA-N 1 1 370.501 1.953 20 30 FDEDMO C=CCOCCCC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000079565556 523767547 /nfs/dbraw/zinc/76/75/47/523767547.db2.gz LDSGCNWFULMSLO-UHFFFAOYSA-N 1 1 359.470 1.673 20 30 FDEDMO C=CCN(Cc1ccccc1F)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000079615466 523773839 /nfs/dbraw/zinc/77/38/39/523773839.db2.gz KBHRZVMYMQFLPU-UHFFFAOYSA-N 1 1 362.449 1.734 20 30 FDEDMO N#CCSc1cccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000079803021 523794798 /nfs/dbraw/zinc/79/47/98/523794798.db2.gz CHDDNAZBLBIVKZ-KRWDZBQOSA-N 1 1 372.494 1.857 20 30 FDEDMO C[C@@H]1C[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC[N@H+]1Cc1ccccc1 ZINC000080230877 523853917 /nfs/dbraw/zinc/85/39/17/523853917.db2.gz HJABIESISIXLLO-GDBMZVCRSA-N 1 1 367.453 1.421 20 30 FDEDMO CCN1CC[NH+](Cc2ccccc2CNC(=O)c2cc(C#N)cn2C)CC1 ZINC000081018860 523931790 /nfs/dbraw/zinc/93/17/90/523931790.db2.gz URYKVDDIJWCFQJ-UHFFFAOYSA-N 1 1 365.481 1.964 20 30 FDEDMO Cn1cc(C#N)cc1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000081066833 523936738 /nfs/dbraw/zinc/93/67/38/523936738.db2.gz BTLJEALTSSHDGQ-MRXNPFEDSA-N 1 1 351.410 1.599 20 30 FDEDMO Cn1cc(C#N)cc1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000081066833 523936740 /nfs/dbraw/zinc/93/67/40/523936740.db2.gz BTLJEALTSSHDGQ-MRXNPFEDSA-N 1 1 351.410 1.599 20 30 FDEDMO CNC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000111269822 524243601 /nfs/dbraw/zinc/24/36/01/524243601.db2.gz OLXWWBPVRIJSFS-LBPRGKRZSA-N 1 1 360.483 1.895 20 30 FDEDMO C[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000111631320 524314029 /nfs/dbraw/zinc/31/40/29/524314029.db2.gz MLYVEJJCAPWBLI-MRXNPFEDSA-N 1 1 364.449 1.925 20 30 FDEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Nc2ccn(CCC#N)n2)C[C@H](C)O1 ZINC000173373412 524376846 /nfs/dbraw/zinc/37/68/46/524376846.db2.gz DFMUSCSYFBEXQP-XHSDSOJGSA-N 1 1 360.462 1.902 20 30 FDEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Nc2ccn(CCC#N)n2)C[C@H](C)O1 ZINC000173373412 524376852 /nfs/dbraw/zinc/37/68/52/524376852.db2.gz DFMUSCSYFBEXQP-XHSDSOJGSA-N 1 1 360.462 1.902 20 30 FDEDMO CC(C)CC[N@H+](CCC#N)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000173544074 524413370 /nfs/dbraw/zinc/41/33/70/524413370.db2.gz VRFWTNVGIIXMJM-UHFFFAOYSA-N 1 1 360.462 1.086 20 30 FDEDMO C#CCOc1ccc(F)cc1NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000173799073 524458821 /nfs/dbraw/zinc/45/88/21/524458821.db2.gz FOJJVFFHEACMGZ-UHFFFAOYSA-N 1 1 362.405 1.123 20 30 FDEDMO CC[NH+]=C(NC[C@@H]1CN(C)CCN1C)N(C)Cc1ccc2c(c1)OCO2 ZINC000088802506 524474248 /nfs/dbraw/zinc/47/42/48/524474248.db2.gz AGOQBUAGEXMLTK-MRXNPFEDSA-N 1 1 361.490 1.058 20 30 FDEDMO Cn1c2ccc(Nc3c(C#N)c(=O)n(C)c(=O)n3C)cc2[nH+]c1C(C)(C)C ZINC000089649360 524518561 /nfs/dbraw/zinc/51/85/61/524518561.db2.gz IDCKUOKLBBQZGB-UHFFFAOYSA-N 1 1 366.425 1.883 20 30 FDEDMO N#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000174404633 524566112 /nfs/dbraw/zinc/56/61/12/524566112.db2.gz RIXWRWYGMGWVHM-UHFFFAOYSA-N 1 1 350.356 1.128 20 30 FDEDMO COc1cc(C#N)ccc1OCC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000112921587 524597757 /nfs/dbraw/zinc/59/77/57/524597757.db2.gz DAFDEKWOTDOSRM-UHFFFAOYSA-N 1 1 374.485 1.430 20 30 FDEDMO COc1cc(C#N)ccc1OCC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000112921587 524597760 /nfs/dbraw/zinc/59/77/60/524597760.db2.gz DAFDEKWOTDOSRM-UHFFFAOYSA-N 1 1 374.485 1.430 20 30 FDEDMO C[C@H](CS(C)(=O)=O)[N@H+](CCC(=O)Nc1sccc1C#N)C1CC1 ZINC000113261464 524656232 /nfs/dbraw/zinc/65/62/32/524656232.db2.gz IMZVLYOLTUROFU-LLVKDONJSA-N 1 1 355.485 1.846 20 30 FDEDMO C[C@H](CS(C)(=O)=O)[N@@H+](CCC(=O)Nc1sccc1C#N)C1CC1 ZINC000113261464 524656238 /nfs/dbraw/zinc/65/62/38/524656238.db2.gz IMZVLYOLTUROFU-LLVKDONJSA-N 1 1 355.485 1.846 20 30 FDEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)Cc2cccc(N(C)C)c2)CC1 ZINC000091629075 524746543 /nfs/dbraw/zinc/74/65/43/524746543.db2.gz YJXXMFYUKQQEPJ-FQEVSTJZSA-N 1 1 371.529 1.877 20 30 FDEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)Cc2cccc(N(C)C)c2)CC1 ZINC000091629075 524746553 /nfs/dbraw/zinc/74/65/53/524746553.db2.gz YJXXMFYUKQQEPJ-FQEVSTJZSA-N 1 1 371.529 1.877 20 30 FDEDMO Cc1cccc(OCC[N@@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1 ZINC000092617595 524901591 /nfs/dbraw/zinc/90/15/91/524901591.db2.gz YEOLPOPNCGXMCY-FQEVSTJZSA-N 1 1 372.513 1.998 20 30 FDEDMO Cc1cccc(OCC[N@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1 ZINC000092617595 524901600 /nfs/dbraw/zinc/90/16/00/524901600.db2.gz YEOLPOPNCGXMCY-FQEVSTJZSA-N 1 1 372.513 1.998 20 30 FDEDMO CN(CCC#N)C(=O)CC[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000092800089 524917987 /nfs/dbraw/zinc/91/79/87/524917987.db2.gz WEJLGUKAFIORQC-UHFFFAOYSA-N 1 1 370.497 1.916 20 30 FDEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000152568789 524928901 /nfs/dbraw/zinc/92/89/01/524928901.db2.gz RQISUVHIFUQYFT-YJBOKZPZSA-N 1 1 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/nfs/dbraw/zinc/66/76/76/938667676.db2.gz WYKAMUZZCLUCAX-CFVMTHIKSA-N 1 1 355.870 1.435 20 30 FDEDMO C=CCCC[NH2+][C@@H]1CN(C(=O)c2cnccc2N(C)C)C[C@@H]1n1ccnn1 ZINC001130088803 938675219 /nfs/dbraw/zinc/67/52/19/938675219.db2.gz JNGAZUACYGNGAO-AEFFLSMTSA-N 1 1 369.473 1.361 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccccn2)n1 ZINC001130181429 938728442 /nfs/dbraw/zinc/72/84/42/938728442.db2.gz HIPDCMSJLMXBMT-HOCLYGCPSA-N 1 1 370.457 1.558 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccccn2)n[nH]1 ZINC001130181429 938728444 /nfs/dbraw/zinc/72/84/44/938728444.db2.gz HIPDCMSJLMXBMT-HOCLYGCPSA-N 1 1 370.457 1.558 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccs2)n1 ZINC001130181733 938728853 /nfs/dbraw/zinc/72/88/53/938728853.db2.gz SOHUFBRHEDZAJB-STQMWFEESA-N 1 1 361.471 1.834 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccs2)n[nH]1 ZINC001130181733 938728855 /nfs/dbraw/zinc/72/88/55/938728855.db2.gz SOHUFBRHEDZAJB-STQMWFEESA-N 1 1 361.471 1.834 20 30 FDEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)CC)n1 ZINC001130186849 938732758 /nfs/dbraw/zinc/73/27/58/938732758.db2.gz OFHOGTWFPOFNBQ-KKUMJFAQSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)CC)n[nH]1 ZINC001130186849 938732761 /nfs/dbraw/zinc/73/27/61/938732761.db2.gz OFHOGTWFPOFNBQ-KKUMJFAQSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COCCC)n1 ZINC001130190688 938735679 /nfs/dbraw/zinc/73/56/79/938735679.db2.gz KNSKKECCQOXXFN-GJZGRUSLSA-N 1 1 365.478 1.276 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COCCC)n[nH]1 ZINC001130190688 938735680 /nfs/dbraw/zinc/73/56/80/938735680.db2.gz KNSKKECCQOXXFN-GJZGRUSLSA-N 1 1 365.478 1.276 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC=CCC2)n1 ZINC001130182952 938741937 /nfs/dbraw/zinc/74/19/37/938741937.db2.gz IHMYITOCNIGGBD-JYJNAYRXSA-N 1 1 357.458 1.263 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC=CCC2)n[nH]1 ZINC001130182952 938741938 /nfs/dbraw/zinc/74/19/38/938741938.db2.gz IHMYITOCNIGGBD-JYJNAYRXSA-N 1 1 357.458 1.263 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC2(F)F)n1 ZINC001130207589 938746727 /nfs/dbraw/zinc/74/67/27/938746727.db2.gz IFGIASFCFNNGIC-AVGNSLFASA-N 1 1 369.416 1.504 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC2(F)F)n[nH]1 ZINC001130207589 938746729 /nfs/dbraw/zinc/74/67/29/938746729.db2.gz IFGIASFCFNNGIC-AVGNSLFASA-N 1 1 369.416 1.504 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[C@@H]2C(F)F)n1 ZINC001130207786 938746932 /nfs/dbraw/zinc/74/69/32/938746932.db2.gz PLFGDNOLVFPBAY-CYDGBPFRSA-N 1 1 369.416 1.360 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2C[C@@H]2C(F)F)n[nH]1 ZINC001130207786 938746935 /nfs/dbraw/zinc/74/69/35/938746935.db2.gz PLFGDNOLVFPBAY-CYDGBPFRSA-N 1 1 369.416 1.360 20 30 FDEDMO C#CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCC=C)n[nH]1 ZINC001130209538 938747596 /nfs/dbraw/zinc/74/75/96/938747596.db2.gz GMHOLWHVRXRPKT-HOTGVXAUSA-N 1 1 359.474 1.653 20 30 FDEDMO C#CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCC=C)n1 ZINC001130209538 938747597 /nfs/dbraw/zinc/74/75/97/938747597.db2.gz GMHOLWHVRXRPKT-HOTGVXAUSA-N 1 1 359.474 1.653 20 30 FDEDMO CC[C@H](F)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC2CC2)n1 ZINC001130212808 938749519 /nfs/dbraw/zinc/74/95/19/938749519.db2.gz DXSLZHMVZOJRGA-KKUMJFAQSA-N 1 1 363.437 1.045 20 30 FDEDMO CC[C@H](F)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC2CC2)n[nH]1 ZINC001130212808 938749520 /nfs/dbraw/zinc/74/95/20/938749520.db2.gz DXSLZHMVZOJRGA-KKUMJFAQSA-N 1 1 363.437 1.045 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@]2(C)CC=CCC2)n1 ZINC001130212836 938749642 /nfs/dbraw/zinc/74/96/42/938749642.db2.gz GPVSDWYWRLKDGW-FTRWYGJKSA-N 1 1 371.485 1.653 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@]2(C)CC=CCC2)n[nH]1 ZINC001130212836 938749646 /nfs/dbraw/zinc/74/96/46/938749646.db2.gz GPVSDWYWRLKDGW-FTRWYGJKSA-N 1 1 371.485 1.653 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(CC=C)CC=C)n1 ZINC001130213121 938750418 /nfs/dbraw/zinc/75/04/18/938750418.db2.gz UVNUYWXACZRVRZ-IRXDYDNUSA-N 1 1 371.485 1.675 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(CC=C)CC=C)n[nH]1 ZINC001130213121 938750422 /nfs/dbraw/zinc/75/04/22/938750422.db2.gz UVNUYWXACZRVRZ-IRXDYDNUSA-N 1 1 371.485 1.675 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)OCC(C)C)n1 ZINC001130200331 938754004 /nfs/dbraw/zinc/75/40/04/938754004.db2.gz IISMJCQEMNGSSK-KKUMJFAQSA-N 1 1 365.478 1.130 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)OCC(C)C)n[nH]1 ZINC001130200331 938754006 /nfs/dbraw/zinc/75/40/06/938754006.db2.gz IISMJCQEMNGSSK-KKUMJFAQSA-N 1 1 365.478 1.130 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=C2CCC2)[nH]1 ZINC001130200503 938754212 /nfs/dbraw/zinc/75/42/12/938754212.db2.gz MQTNOEGKNCJEMT-KBPBESRZSA-N 1 1 365.865 1.746 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC2(C)C)n1 ZINC001130200842 938754377 /nfs/dbraw/zinc/75/43/77/938754377.db2.gz YDQGDEBXTMPKFH-KKUMJFAQSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC2(C)C)n[nH]1 ZINC001130200842 938754379 /nfs/dbraw/zinc/75/43/79/938754379.db2.gz YDQGDEBXTMPKFH-KKUMJFAQSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)n2cccc2)n1 ZINC001130200686 938754433 /nfs/dbraw/zinc/75/44/33/938754433.db2.gz RXTUMWYLAJEGRS-ILXRZTDVSA-N 1 1 358.446 1.132 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)n2cccc2)n[nH]1 ZINC001130200686 938754435 /nfs/dbraw/zinc/75/44/35/938754435.db2.gz RXTUMWYLAJEGRS-ILXRZTDVSA-N 1 1 358.446 1.132 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)COC)n1 ZINC001130202617 938755092 /nfs/dbraw/zinc/75/50/92/938755092.db2.gz FQNGADJKNRWDEB-ILXRZTDVSA-N 1 1 365.478 1.132 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)COC)n[nH]1 ZINC001130202617 938755094 /nfs/dbraw/zinc/75/50/94/938755094.db2.gz FQNGADJKNRWDEB-ILXRZTDVSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C2CCC2)n1 ZINC001130220682 938756129 /nfs/dbraw/zinc/75/61/29/938756129.db2.gz IPLIRLHGEULXBU-KBMXLJTQSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)C2CCC2)n[nH]1 ZINC001130220682 938756130 /nfs/dbraw/zinc/75/61/30/938756130.db2.gz IPLIRLHGEULXBU-KBMXLJTQSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CC(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+][C@@H](C)COC)n[nH]1 ZINC001130227828 938762113 /nfs/dbraw/zinc/76/21/13/938762113.db2.gz QZNYQRROOJCIBQ-IHRRRGAJSA-N 1 1 365.478 1.130 20 30 FDEDMO C=CC(C)(C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+][C@@H](C)COC)n1 ZINC001130227828 938762115 /nfs/dbraw/zinc/76/21/15/938762115.db2.gz QZNYQRROOJCIBQ-IHRRRGAJSA-N 1 1 365.478 1.130 20 30 FDEDMO C=CCC1(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)CCC1 ZINC001130240661 938768746 /nfs/dbraw/zinc/76/87/46/938768746.db2.gz YGVUGFBVWFMMPY-KBPBESRZSA-N 1 1 365.453 1.599 20 30 FDEDMO C=CCC1(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCF)n2)CCC1 ZINC001130240661 938768749 /nfs/dbraw/zinc/76/87/49/938768749.db2.gz YGVUGFBVWFMMPY-KBPBESRZSA-N 1 1 365.453 1.599 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2C2CCC2)n1 ZINC001130242116 938769172 /nfs/dbraw/zinc/76/91/72/938769172.db2.gz GKDWUSRRHYWLRY-JONQDZQNSA-N 1 1 359.474 1.505 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]2C2CCC2)n[nH]1 ZINC001130242116 938769174 /nfs/dbraw/zinc/76/91/74/938769174.db2.gz GKDWUSRRHYWLRY-JONQDZQNSA-N 1 1 359.474 1.505 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccn2C(C)C)[nH]1 ZINC001130249036 938773290 /nfs/dbraw/zinc/77/32/90/938773290.db2.gz GOIWUPWUYUUUJT-HOCLYGCPSA-N 1 1 370.457 1.212 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccn2C(C)C)n[nH]1 ZINC001130249036 938773291 /nfs/dbraw/zinc/77/32/91/938773291.db2.gz GOIWUPWUYUUUJT-HOCLYGCPSA-N 1 1 370.457 1.212 20 30 FDEDMO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000805774391 938822433 /nfs/dbraw/zinc/82/24/33/938822433.db2.gz JCSPXDCGJOWFAR-JKSUJKDBSA-N 1 1 352.479 1.985 20 30 FDEDMO CCCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000805774391 938822437 /nfs/dbraw/zinc/82/24/37/938822437.db2.gz JCSPXDCGJOWFAR-JKSUJKDBSA-N 1 1 352.479 1.985 20 30 FDEDMO COCC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001130430874 938846238 /nfs/dbraw/zinc/84/62/38/938846238.db2.gz KJOPODHZXJVCNR-RYQLBKOJSA-N 1 1 356.470 1.511 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH]ncc32)C[C@H]1c1cn(C)cn1 ZINC001130590260 939896467 /nfs/dbraw/zinc/89/64/67/939896467.db2.gz HDRIXKKXEZWEPC-SIXWZSSISA-N 1 1 368.485 1.723 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1c1cn(C)cn1 ZINC001130622042 939920525 /nfs/dbraw/zinc/92/05/25/939920525.db2.gz MOOWETWBSPOOQI-DFQSSKMNSA-N 1 1 371.529 1.448 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1c1cn(C)cn1 ZINC001130622042 939920527 /nfs/dbraw/zinc/92/05/27/939920527.db2.gz MOOWETWBSPOOQI-DFQSSKMNSA-N 1 1 371.529 1.448 20 30 FDEDMO C=C[C@@H](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001130651950 939946209 /nfs/dbraw/zinc/94/62/09/939946209.db2.gz CFSMWFCAPBDZML-QILLFSRXSA-N 1 1 371.489 1.235 20 30 FDEDMO C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001130656927 939961254 /nfs/dbraw/zinc/96/12/54/939961254.db2.gz SUDZQHOJDYFZKG-QILLFSRXSA-N 1 1 371.489 1.235 20 30 FDEDMO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130690127 939980067 /nfs/dbraw/zinc/98/00/67/939980067.db2.gz YEFIXTJRSORTCE-VDZJLULYSA-N 1 1 370.501 1.872 20 30 FDEDMO CC#CC[NH2+][C@@H]1CN(C(=O)c2c(C)n[nH]c2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130708357 940014013 /nfs/dbraw/zinc/01/40/13/940014013.db2.gz LMZXIKUFNRDXLI-DOTOQJQBSA-N 1 1 368.485 1.796 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCOC)n[nH]2)O1 ZINC001130754812 940066348 /nfs/dbraw/zinc/06/63/48/940066348.db2.gz OOXYOFPXLFIOJY-UONOGXRCSA-N 1 1 351.451 1.233 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)OCCCC)n[nH]2)O1 ZINC001130762180 940069861 /nfs/dbraw/zinc/06/98/61/940069861.db2.gz NWFSUYPQBGDVRO-QLFBSQMISA-N 1 1 363.462 1.069 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccc(C)n3)n[nH]2)O1 ZINC001130759838 940087051 /nfs/dbraw/zinc/08/70/51/940087051.db2.gz PFSOXGIEGRCLEA-GOEBONIOSA-N 1 1 370.457 1.824 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cccnc3)n[nH]2)O1 ZINC001130774753 940090976 /nfs/dbraw/zinc/09/09/76/940090976.db2.gz 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361.421 1.661 20 30 FDEDMO C#CCCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCC3CC3)O2)n1 ZINC001130778241 940131589 /nfs/dbraw/zinc/13/15/89/940131589.db2.gz NDJGBPFRXIPUEL-JKSUJKDBSA-N 1 1 359.474 1.834 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC3(COC)CC3)n[nH]2)O1 ZINC001130780809 940135101 /nfs/dbraw/zinc/13/51/01/940135101.db2.gz DURYKDUMIGEUAJ-UONOGXRCSA-N 1 1 363.462 1.233 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(F)ccc3C)n[nH]2)O1 ZINC001130794337 940146230 /nfs/dbraw/zinc/14/62/30/940146230.db2.gz SHSNXAKKLQCCPX-GOEBONIOSA-N 1 1 371.416 1.625 20 30 FDEDMO C=C[C@@H](CC)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n1 ZINC001130796074 940148862 /nfs/dbraw/zinc/14/88/62/940148862.db2.gz HCPCPTUXMFWSMQ-HRCADAONSA-N 1 1 359.474 1.856 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccsn3)n[nH]2)O1 ZINC001130787156 940154954 /nfs/dbraw/zinc/15/49/54/940154954.db2.gz BTNGJAXXKSAPAF-WCQYABFASA-N 1 1 360.443 1.024 20 30 FDEDMO 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AKBSFWRMLAYFTF-INIZCTEOSA-N 1 1 363.352 1.836 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1ccn(CCc2ccccc2)n1 ZINC001134053316 941529847 /nfs/dbraw/zinc/52/98/47/941529847.db2.gz SBMQQBSUEOWHTG-UXHICEINSA-N 1 1 368.481 1.923 20 30 FDEDMO C=C[C@@H](O)C(=O)OCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000814546272 941674568 /nfs/dbraw/zinc/67/45/68/941674568.db2.gz YMRHYRNTKHIZFP-LJQANCHMSA-N 1 1 368.433 1.574 20 30 FDEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000815082391 941777754 /nfs/dbraw/zinc/77/77/54/941777754.db2.gz OHNMZTZOFKJQRB-UHFFFAOYSA-N 1 1 350.362 1.819 20 30 FDEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000815083270 941778468 /nfs/dbraw/zinc/77/84/68/941778468.db2.gz VEDZTTPDLROIKV-UHFFFAOYSA-N 1 1 358.847 1.345 20 30 FDEDMO C#CCNC(=O)CC[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000815116574 941780672 /nfs/dbraw/zinc/78/06/72/941780672.db2.gz VDWMOOACYFJEPC-LJQANCHMSA-N 1 1 355.482 1.729 20 30 FDEDMO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](OC)C2CCCC2)C[C@H]1O ZINC001195306814 970838888 /nfs/dbraw/zinc/83/88/88/970838888.db2.gz HMRFDUWSISPMRH-QRVBRYPASA-N 1 1 350.503 1.937 20 30 FDEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001195306761 970838963 /nfs/dbraw/zinc/83/89/63/970838963.db2.gz GXOFCINZEFAHEA-QZTJIDSGSA-N 1 1 354.454 1.746 20 30 FDEDMO CN(C)C(=O)OC1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000815187998 941795101 /nfs/dbraw/zinc/79/51/01/941795101.db2.gz ACQHXJJHNIGRJJ-QGZVFWFLSA-N 1 1 356.426 1.826 20 30 FDEDMO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](OC)C2CCCC2)C[C@H]1O ZINC001195306812 970839498 /nfs/dbraw/zinc/83/94/98/970839498.db2.gz HMRFDUWSISPMRH-GUDVDZBRSA-N 1 1 350.503 1.937 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815446295 941858031 /nfs/dbraw/zinc/85/80/31/941858031.db2.gz SOYGAIPZLYXZEX-HIFRSBDPSA-N 1 1 351.447 1.727 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000815446295 941858041 /nfs/dbraw/zinc/85/80/41/941858041.db2.gz SOYGAIPZLYXZEX-HIFRSBDPSA-N 1 1 351.447 1.727 20 30 FDEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2OCC)C[C@H]1O ZINC001195312954 970846458 /nfs/dbraw/zinc/84/64/58/970846458.db2.gz YMYYVSUYQQJSSX-HZPDHXFCSA-N 1 1 362.470 1.838 20 30 FDEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2OCC)C[C@H]1O ZINC001195312954 970846466 /nfs/dbraw/zinc/84/64/66/970846466.db2.gz YMYYVSUYQQJSSX-HZPDHXFCSA-N 1 1 362.470 1.838 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]Cc1nnc(-c2cccs2)o1 ZINC001135145392 941929081 /nfs/dbraw/zinc/92/90/81/941929081.db2.gz GNRTTZPHPPLCFI-WFASDCNBSA-N 1 1 362.455 1.985 20 30 FDEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1C(=O)OC(C)(C)C ZINC000815861065 941997685 /nfs/dbraw/zinc/99/76/85/941997685.db2.gz PEUYJYZFLCGKNH-UHFFFAOYSA-N 1 1 373.453 1.652 20 30 FDEDMO C#Cc1cccc(CNC(=O)C(=O)NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000817289198 942659503 /nfs/dbraw/zinc/65/95/03/942659503.db2.gz UNXKXHWSRHBBLR-UHFFFAOYSA-N 1 1 363.461 1.922 20 30 FDEDMO C=CCn1nnn(CN2CCC[N@H+](C3CCN(CC)CC3)CC2)c1=S ZINC000817371781 942724246 /nfs/dbraw/zinc/72/42/46/942724246.db2.gz CGPZIAMLMZQCHR-UHFFFAOYSA-N 1 1 365.551 1.445 20 30 FDEDMO C=CCn1nnn(CN2CCCN(C3CC[NH+](CC)CC3)CC2)c1=S ZINC000817371781 942724248 /nfs/dbraw/zinc/72/42/48/942724248.db2.gz CGPZIAMLMZQCHR-UHFFFAOYSA-N 1 1 365.551 1.445 20 30 FDEDMO C#C[C@H](NC(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1)[C@H]1CCCO1 ZINC000817779576 942946191 /nfs/dbraw/zinc/94/61/91/942946191.db2.gz CCSVEFNYALCKEQ-RBUKOAKNSA-N 1 1 362.518 1.369 20 30 FDEDMO C#C[C@H](NC(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1)[C@H]1CCCO1 ZINC000817779576 942946197 /nfs/dbraw/zinc/94/61/97/942946197.db2.gz CCSVEFNYALCKEQ-RBUKOAKNSA-N 1 1 362.518 1.369 20 30 FDEDMO C#Cc1cccc(CNC(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC000817843905 943008212 /nfs/dbraw/zinc/00/82/12/943008212.db2.gz LGVNZBOVVCJXBS-UHFFFAOYSA-N 1 1 371.481 1.101 20 30 FDEDMO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@H]1O ZINC001195467171 970969966 /nfs/dbraw/zinc/96/99/66/970969966.db2.gz KXAFLEDYFGAGGR-HZPDHXFCSA-N 1 1 358.467 1.546 20 30 FDEDMO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@H]1O ZINC001195467171 970969967 /nfs/dbraw/zinc/96/99/67/970969967.db2.gz KXAFLEDYFGAGGR-HZPDHXFCSA-N 1 1 358.467 1.546 20 30 FDEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000818593423 943323849 /nfs/dbraw/zinc/32/38/49/943323849.db2.gz ZLHIYYMTMMYSEB-OAHLLOKOSA-N 1 1 359.495 1.833 20 30 FDEDMO C#CC[N@H+](C)CCCNC(=O)c1cccc(I)c1O ZINC000818595651 943326970 /nfs/dbraw/zinc/32/69/70/943326970.db2.gz HJEVTLUVYZIDAC-UHFFFAOYSA-N 1 1 372.206 1.682 20 30 FDEDMO C#CC[N@@H+](C)CCCNC(=O)c1cccc(I)c1O ZINC000818595651 943326976 /nfs/dbraw/zinc/32/69/76/943326976.db2.gz HJEVTLUVYZIDAC-UHFFFAOYSA-N 1 1 372.206 1.682 20 30 FDEDMO C#CC[N@@H+](C)CCCNC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000818605968 943330284 /nfs/dbraw/zinc/33/02/84/943330284.db2.gz AEDSKDWBCZLFMR-UHFFFAOYSA-N 1 1 366.506 1.001 20 30 FDEDMO C#CC[N@H+](C)CCCNC(=O)c1ccc2c(c1)C(=O)N(CCCC)C2=O ZINC000818608973 943330738 /nfs/dbraw/zinc/33/07/38/943330738.db2.gz BUPCZJUKMIMAIC-UHFFFAOYSA-N 1 1 355.438 1.768 20 30 FDEDMO CN1CCN(C[C@@H](O)C[NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000819092125 943416641 /nfs/dbraw/zinc/41/66/41/943416641.db2.gz RUTORQOEKSVCGL-SFHVURJKSA-N 1 1 370.522 1.985 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000819606144 943657544 /nfs/dbraw/zinc/65/75/44/943657544.db2.gz MTSPOJLDICPRAE-HOTGVXAUSA-N 1 1 367.490 1.637 20 30 FDEDMO CCOC(=O)CNC(=S)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001195576077 971047206 /nfs/dbraw/zinc/04/72/06/971047206.db2.gz IQGAPXRYBFPJIK-UHFFFAOYSA-N 1 1 360.483 1.572 20 30 FDEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(Br)cn2ncnc12 ZINC000820687804 944155507 /nfs/dbraw/zinc/15/55/07/944155507.db2.gz ANBXLFUGGLZZSF-UHFFFAOYSA-N 1 1 350.220 1.177 20 30 FDEDMO CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C[C@@H]2C1 ZINC000821328029 944420388 /nfs/dbraw/zinc/42/03/88/944420388.db2.gz BMNGUBQBWAJESE-RYQLBKOJSA-N 1 1 354.454 1.732 20 30 FDEDMO C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[N@H+](CC)[C@H](C)C2)s1 ZINC000821301204 944430823 /nfs/dbraw/zinc/43/08/23/944430823.db2.gz KORRUQHGVZYIKG-CYBMUJFWSA-N 1 1 371.528 1.308 20 30 FDEDMO C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)s1 ZINC000821528044 944540975 /nfs/dbraw/zinc/54/09/75/944540975.db2.gz PMFRRHUOTMWVFE-QWHCGFSZSA-N 1 1 371.528 1.306 20 30 FDEDMO C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001195640561 971103441 /nfs/dbraw/zinc/10/34/41/971103441.db2.gz GKMDALAJGIUYEU-QXAKKESOSA-N 1 1 360.502 1.662 20 30 FDEDMO C#CCCN(CCOC)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000856388955 971111691 /nfs/dbraw/zinc/11/16/91/971111691.db2.gz VLPOIZLNWFRUES-UHFFFAOYSA-N 1 1 367.490 1.428 20 30 FDEDMO CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2CC(N)=O)C1 ZINC001195647287 971111912 /nfs/dbraw/zinc/11/19/12/971111912.db2.gz FZWZZRFLIBXXRU-HUUCEWRRSA-N 1 1 351.447 1.053 20 30 FDEDMO C#C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1)C1CCOCC1 ZINC000823159011 945482753 /nfs/dbraw/zinc/48/27/53/945482753.db2.gz NWBFSEYFUSNRCS-WOJBJXKFSA-N 1 1 355.482 1.983 20 30 FDEDMO C#C[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1)C1CCOCC1 ZINC000823159011 945482759 /nfs/dbraw/zinc/48/27/59/945482759.db2.gz NWBFSEYFUSNRCS-WOJBJXKFSA-N 1 1 355.482 1.983 20 30 FDEDMO C=CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COc2cccc(C)c2)C[C@H]1O ZINC001195726500 971156503 /nfs/dbraw/zinc/15/65/03/971156503.db2.gz XGPQLDMQKLARLK-BHIYHBOVSA-N 1 1 362.470 1.252 20 30 FDEDMO C=CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc(C)c2)C[C@H]1O ZINC001195726500 971156511 /nfs/dbraw/zinc/15/65/11/971156511.db2.gz XGPQLDMQKLARLK-BHIYHBOVSA-N 1 1 362.470 1.252 20 30 FDEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)C[C@@](C)(O)c2ccccc2)CC1 ZINC000823605417 945861318 /nfs/dbraw/zinc/86/13/18/945861318.db2.gz KDXXMVXQCIGCHY-PZJWPPBQSA-N 1 1 372.513 1.518 20 30 FDEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)C[C@@](C)(O)c2ccccc2)CC1 ZINC000823605417 945861324 /nfs/dbraw/zinc/86/13/24/945861324.db2.gz KDXXMVXQCIGCHY-PZJWPPBQSA-N 1 1 372.513 1.518 20 30 FDEDMO C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000823650249 945889747 /nfs/dbraw/zinc/88/97/47/945889747.db2.gz UTJRCMDWKMNZAH-QGZVFWFLSA-N 1 1 358.486 1.776 20 30 FDEDMO C#CC[N@H+]1CCCN(C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)CC1 ZINC001136863259 946360361 /nfs/dbraw/zinc/36/03/61/946360361.db2.gz VMHOMLRXZMQYRM-IBGZPJMESA-N 1 1 353.466 1.835 20 30 FDEDMO C#CC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)CC1 ZINC001136863259 946360374 /nfs/dbraw/zinc/36/03/74/946360374.db2.gz VMHOMLRXZMQYRM-IBGZPJMESA-N 1 1 353.466 1.835 20 30 FDEDMO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@H+](Cc4c[nH]cn4)C3)C2)n1 ZINC001136867234 946388772 /nfs/dbraw/zinc/38/87/72/946388772.db2.gz HDHWXQOTIKFKCC-LJQANCHMSA-N 1 1 352.442 1.795 20 30 FDEDMO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4c[nH]cn4)C3)C2)n1 ZINC001136867234 946388784 /nfs/dbraw/zinc/38/87/84/946388784.db2.gz HDHWXQOTIKFKCC-LJQANCHMSA-N 1 1 352.442 1.795 20 30 FDEDMO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(CC(=O)NCCC#N)C2)ccn1 ZINC000856599347 971245085 /nfs/dbraw/zinc/24/50/85/971245085.db2.gz OPQSZQMEVCQMAS-SFHVURJKSA-N 1 1 359.474 1.405 20 30 FDEDMO C#CCC[N@H+](CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CCCCCC1 ZINC001573283893 946731199 /nfs/dbraw/zinc/73/11/99/946731199.db2.gz ZYNSNOGEIHOUCG-UHFFFAOYSA-N 1 1 369.473 1.973 20 30 FDEDMO N#Cc1cnn(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)c1N ZINC000824818972 946792038 /nfs/dbraw/zinc/79/20/38/946792038.db2.gz ZFDNZBLOLPHHRL-QFBILLFUSA-N 1 1 351.410 1.516 20 30 FDEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc2c(cc(C(=O)OC)n2C)n1 ZINC001171071261 946869201 /nfs/dbraw/zinc/86/92/01/946869201.db2.gz UWYIEYZFHOHCOR-ZDUSSCGKSA-N 1 1 374.441 1.999 20 30 FDEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cnc(OC2CCOCC2)nc1 ZINC001171072713 946914125 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ZINC001110605837 976997584 /nfs/dbraw/zinc/99/75/84/976997584.db2.gz KFBLTRQZKWXQJS-MLHJIOFPSA-N 1 1 365.518 1.996 20 30 FDEDMO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NCCCOCC ZINC001110605837 976997594 /nfs/dbraw/zinc/99/75/94/976997594.db2.gz KFBLTRQZKWXQJS-MLHJIOFPSA-N 1 1 365.518 1.996 20 30 FDEDMO CCCN(C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000867945624 977125460 /nfs/dbraw/zinc/12/54/60/977125460.db2.gz FXLWSOCNZHVGBE-WBVHZDCISA-N 1 1 361.467 1.171 20 30 FDEDMO C[NH+](C)C1(CNC(=O)[C@H]2NCCc3cc(C#N)ccc32)Cc2ccccc2C1 ZINC000867964009 977147808 /nfs/dbraw/zinc/14/78/08/977147808.db2.gz ZRGCTCMLXQVXRL-NRFANRHFSA-N 1 1 374.488 1.960 20 30 FDEDMO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)c2sccc2CC#N)CC1 ZINC000868293381 977460843 /nfs/dbraw/zinc/46/08/43/977460843.db2.gz UMSPMGXAAFLNCK-UHFFFAOYSA-N 1 1 362.499 1.877 20 30 FDEDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000868359259 977529906 /nfs/dbraw/zinc/52/99/06/977529906.db2.gz WHIRLBFVVZZJAS-JXFKEZNVSA-N 1 1 369.513 1.598 20 30 FDEDMO N#Cc1ccc2c(c1)C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C2 ZINC000868411597 977618635 /nfs/dbraw/zinc/61/86/35/977618635.db2.gz YOKQEVAAJYSVLL-AQNXPRMDSA-N 1 1 368.481 1.968 20 30 FDEDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000868509984 977725631 /nfs/dbraw/zinc/72/56/31/977725631.db2.gz IGRFSSQCESODLP-HNAYVOBHSA-N 1 1 355.486 1.351 20 30 FDEDMO C#CCOc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849599738 977821144 /nfs/dbraw/zinc/82/11/44/977821144.db2.gz OLXCXMSLNPAPAT-PMACEKPBSA-N 1 1 366.465 1.784 20 30 FDEDMO C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000868652316 977869323 /nfs/dbraw/zinc/86/93/23/977869323.db2.gz CHPDOYPAQDDOIQ-GASCZTMLSA-N 1 1 352.479 1.544 20 30 FDEDMO COCCC(=O)Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000850002962 978096592 /nfs/dbraw/zinc/09/65/92/978096592.db2.gz LNHSJWTWYGMLNA-UHFFFAOYSA-N 1 1 365.433 1.884 20 30 FDEDMO COCCC(=O)Cn1c2c(cc(C#N)c1=O)C[N@H+](Cc1ccccc1)CC2 ZINC000850002962 978096600 /nfs/dbraw/zinc/09/66/00/978096600.db2.gz LNHSJWTWYGMLNA-UHFFFAOYSA-N 1 1 365.433 1.884 20 30 FDEDMO C=CCN(C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)[C@H](C)COC ZINC000850585856 978448150 /nfs/dbraw/zinc/44/81/50/978448150.db2.gz CHXLAKDYXNKUSV-CYBMUJFWSA-N 1 1 357.414 1.564 20 30 FDEDMO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000925487326 978965532 /nfs/dbraw/zinc/96/55/32/978965532.db2.gz CBLTWPDGWXOEGO-OAHLLOKOSA-N 1 1 352.356 1.942 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000968001171 1014538763 /nfs/dbraw/zinc/53/87/63/1014538763.db2.gz OSQCKSDHJRCYPV-AYBZRNKSSA-N 1 1 363.502 1.369 20 30 FDEDMO C#CCOCC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000851836072 979088885 /nfs/dbraw/zinc/08/88/85/979088885.db2.gz GFEGLKUNWDGBBO-QGZVFWFLSA-N 1 1 350.484 1.635 20 30 FDEDMO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851846386 979101201 /nfs/dbraw/zinc/10/12/01/979101201.db2.gz VFGNRVUXCCOTLL-TZIWHRDSSA-N 1 1 364.449 1.242 20 30 FDEDMO CCCCCC[C@](O)(C[NH+]1CCN(c2cccc(C#N)n2)CC1)C(=O)OC ZINC000851936916 979201985 /nfs/dbraw/zinc/20/19/85/979201985.db2.gz CHDLTEOZGVUBCZ-FQEVSTJZSA-N 1 1 374.485 1.950 20 30 FDEDMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)Cc1cccc(OCC#N)c1 ZINC000880496500 979241520 /nfs/dbraw/zinc/24/15/20/979241520.db2.gz WXNNEAOBUHUOSW-ZWKOTPCHSA-N 1 1 357.454 1.747 20 30 FDEDMO C#C[C@H](NC(=O)NCC[NH+]1CCN(c2ccccc2)CC1)C1CCOCC1 ZINC000851983498 979244850 /nfs/dbraw/zinc/24/48/50/979244850.db2.gz YZRUOROLTYLELY-FQEVSTJZSA-N 1 1 370.497 1.536 20 30 FDEDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1cc(C#N)c(F)cc1F ZINC000880713533 979405193 /nfs/dbraw/zinc/40/51/93/979405193.db2.gz PJYPYGHQKZLCRF-LBPRGKRZSA-N 1 1 351.401 1.984 20 30 FDEDMO O=C(Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)N[C@H]1CCCN(O)C1=O ZINC000881129756 979702446 /nfs/dbraw/zinc/70/24/46/979702446.db2.gz HJKMIWSHUMUCLM-SJORKVTESA-N 1 1 373.457 1.473 20 30 FDEDMO N#CCc1cccc(NC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)n1 ZINC000881141690 979715872 /nfs/dbraw/zinc/71/58/72/979715872.db2.gz KNNHCPLRFWPELS-QGZVFWFLSA-N 1 1 372.473 1.066 20 30 FDEDMO C#CCCS(=O)(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1)C[C@H](C)O2 ZINC000882791047 981685147 /nfs/dbraw/zinc/68/51/47/981685147.db2.gz QUFQWWHRMDFEDE-HKUYNNGSSA-N 1 1 362.495 1.705 20 30 FDEDMO C#CCCS(=O)(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@H](C)O2 ZINC000882791047 981685153 /nfs/dbraw/zinc/68/51/53/981685153.db2.gz QUFQWWHRMDFEDE-HKUYNNGSSA-N 1 1 362.495 1.705 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(F)cn1)C2 ZINC001110731460 981690267 /nfs/dbraw/zinc/69/02/67/981690267.db2.gz WBOQIJBHJXCHCO-YYQUZTFQSA-N 1 1 360.433 1.175 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(F)cn1)C2 ZINC001110731460 981690275 /nfs/dbraw/zinc/69/02/75/981690275.db2.gz WBOQIJBHJXCHCO-YYQUZTFQSA-N 1 1 360.433 1.175 20 30 FDEDMO C#CC[C@@H](COC)NC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000858139317 981855513 /nfs/dbraw/zinc/85/55/13/981855513.db2.gz JMTVTSUGTBMGLK-ROUUACIJSA-N 1 1 358.486 1.535 20 30 FDEDMO C#CCC1(O)CCN(C(=O)NC[C@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC000883096802 981939961 /nfs/dbraw/zinc/93/99/61/981939961.db2.gz RIUQIQPUFLTSHX-GOSISDBHSA-N 1 1 365.518 1.683 20 30 FDEDMO C#CCC1(O)CCN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000883156014 981985861 /nfs/dbraw/zinc/98/58/61/981985861.db2.gz AIELKSYWMLHXHB-UHFFFAOYSA-N 1 1 371.481 1.579 20 30 FDEDMO C#CCNC(=O)C[N@H+]1CCCN(c2cnc3cc(Cl)ccc3n2)CC1 ZINC000858407741 982034079 /nfs/dbraw/zinc/03/40/79/982034079.db2.gz DWWDUQJGZCIXKB-UHFFFAOYSA-N 1 1 357.845 1.545 20 30 FDEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2cnc3cc(Cl)ccc3n2)CC1 ZINC000858407741 982034100 /nfs/dbraw/zinc/03/41/00/982034100.db2.gz DWWDUQJGZCIXKB-UHFFFAOYSA-N 1 1 357.845 1.545 20 30 FDEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000858492581 982078655 /nfs/dbraw/zinc/07/86/55/982078655.db2.gz AOAXEAUIZZXPIO-CABCVRRESA-N 1 1 352.479 1.639 20 30 FDEDMO COc1cccc([C@H]2C[NH2+]CCN2S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000883477378 982191112 /nfs/dbraw/zinc/19/11/12/982191112.db2.gz AZOUFWQVCBKNGS-GOSISDBHSA-N 1 1 357.435 1.902 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CCCCC1)C2 ZINC001110756018 982302709 /nfs/dbraw/zinc/30/27/09/982302709.db2.gz GTXXRHWFANFXIT-AHCXZYCDSA-N 1 1 361.486 1.195 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CCCCC1)C2 ZINC001110756018 982302721 /nfs/dbraw/zinc/30/27/21/982302721.db2.gz GTXXRHWFANFXIT-AHCXZYCDSA-N 1 1 361.486 1.195 20 30 FDEDMO CC[N@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000883614179 982310782 /nfs/dbraw/zinc/31/07/82/982310782.db2.gz AWCCUOZRFLSONG-MGPQQGTHSA-N 1 1 351.451 1.139 20 30 FDEDMO C=C(C)C[C@H](CO)NC(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000883784227 982466695 /nfs/dbraw/zinc/46/66/95/982466695.db2.gz PIRNBWVXNOOEPF-RTBURBONSA-N 1 1 360.502 1.429 20 30 FDEDMO C=C(C)C[C@H](CO)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000883784227 982466698 /nfs/dbraw/zinc/46/66/98/982466698.db2.gz PIRNBWVXNOOEPF-RTBURBONSA-N 1 1 360.502 1.429 20 30 FDEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)CC(=O)NC(C)C)C2 ZINC001110767196 982559755 /nfs/dbraw/zinc/55/97/55/982559755.db2.gz GGIHIAMSRRVWHY-ZACQAIPSSA-N 1 1 350.507 1.131 20 30 FDEDMO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000859158614 982584258 /nfs/dbraw/zinc/58/42/58/982584258.db2.gz FTZYFGPKEOTLHQ-HOTGVXAUSA-N 1 1 367.490 1.999 20 30 FDEDMO CN(CC[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1)C(=O)OC(C)(C)C ZINC000859222769 982628326 /nfs/dbraw/zinc/62/83/26/982628326.db2.gz SNYKEOKRGJQILY-HNNXBMFYSA-N 1 1 355.479 1.856 20 30 FDEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccccc2Cn2ccnc2)C1 ZINC000884044398 982748323 /nfs/dbraw/zinc/74/83/23/982748323.db2.gz GYQTUNXOSOJKRH-IBGZPJMESA-N 1 1 351.454 1.828 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccccc2Cn2ccnc2)C1 ZINC000884044398 982748329 /nfs/dbraw/zinc/74/83/29/982748329.db2.gz GYQTUNXOSOJKRH-IBGZPJMESA-N 1 1 351.454 1.828 20 30 FDEDMO CCN(CCC#N)S(=O)(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000800139400 982762847 /nfs/dbraw/zinc/76/28/47/982762847.db2.gz ITQCMAZLZNOZEG-SFHVURJKSA-N 1 1 364.515 1.969 20 30 FDEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2cccc(C(=O)NCCC)c2)C1 ZINC000884076564 982827649 /nfs/dbraw/zinc/82/76/49/982827649.db2.gz HXQHXAHSNFUMAP-GOSISDBHSA-N 1 1 356.470 1.723 20 30 FDEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cccc(C(=O)NCCC)c2)C1 ZINC000884076564 982827668 /nfs/dbraw/zinc/82/76/68/982827668.db2.gz HXQHXAHSNFUMAP-GOSISDBHSA-N 1 1 356.470 1.723 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccc(F)cc1)C2 ZINC001110776858 983000062 /nfs/dbraw/zinc/00/00/62/983000062.db2.gz SUJVOPSGAGFPQK-PIKADFDJSA-N 1 1 371.456 1.618 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccc(F)cc1)C2 ZINC001110776858 983000069 /nfs/dbraw/zinc/00/00/69/983000069.db2.gz SUJVOPSGAGFPQK-PIKADFDJSA-N 1 1 371.456 1.618 20 30 FDEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(S(=O)(=O)CC)cc2)C1 ZINC000884259503 983033770 /nfs/dbraw/zinc/03/37/70/983033770.db2.gz SGGKTDARFMQEMY-INIZCTEOSA-N 1 1 363.483 1.377 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(S(=O)(=O)CC)cc2)C1 ZINC000884259503 983033778 /nfs/dbraw/zinc/03/37/78/983033778.db2.gz SGGKTDARFMQEMY-INIZCTEOSA-N 1 1 363.483 1.377 20 30 FDEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccncc2OCC(F)(F)F)C1 ZINC000884319866 983080731 /nfs/dbraw/zinc/08/07/31/983080731.db2.gz FRLGZLWZUBVFTL-CQSZACIVSA-N 1 1 370.375 1.920 20 30 FDEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccncc2OCC(F)(F)F)C1 ZINC000884319866 983080738 /nfs/dbraw/zinc/08/07/38/983080738.db2.gz FRLGZLWZUBVFTL-CQSZACIVSA-N 1 1 370.375 1.920 20 30 FDEDMO C#CC[C@@H](CCOC)NC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000860515545 983428768 /nfs/dbraw/zinc/42/87/68/983428768.db2.gz DMSPQTILTPYPKN-FUHWJXTLSA-N 1 1 372.469 1.686 20 30 FDEDMO C#CC[C@@H](CCOC)NC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000860515545 983428771 /nfs/dbraw/zinc/42/87/71/983428771.db2.gz DMSPQTILTPYPKN-FUHWJXTLSA-N 1 1 372.469 1.686 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccc(C)cc1)C2 ZINC001110788953 983542083 /nfs/dbraw/zinc/54/20/83/983542083.db2.gz DMGGBNMXZZVJLL-AFYVEPGGSA-N 1 1 367.493 1.787 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccc(C)cc1)C2 ZINC001110788953 983542089 /nfs/dbraw/zinc/54/20/89/983542089.db2.gz DMGGBNMXZZVJLL-AFYVEPGGSA-N 1 1 367.493 1.787 20 30 FDEDMO C[N@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000862032053 984066038 /nfs/dbraw/zinc/06/60/38/984066038.db2.gz NAGZSGUAAGJURW-ZDUSSCGKSA-N 1 1 362.405 1.515 20 30 FDEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000862189927 984221469 /nfs/dbraw/zinc/22/14/69/984221469.db2.gz FWUYJGXROFWDET-AWEZNQCLSA-N 1 1 355.398 1.059 20 30 FDEDMO C#CCC[N@@H+](CCOC)Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O ZINC000862417745 984383391 /nfs/dbraw/zinc/38/33/91/984383391.db2.gz HVENGZPCPDQDGU-UHFFFAOYSA-N 1 1 366.421 1.678 20 30 FDEDMO C#CCC[N@H+](CCOC)Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O ZINC000862417745 984383399 /nfs/dbraw/zinc/38/33/99/984383399.db2.gz HVENGZPCPDQDGU-UHFFFAOYSA-N 1 1 366.421 1.678 20 30 FDEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000885860733 985709324 /nfs/dbraw/zinc/70/93/24/985709324.db2.gz MAPNAKGJBHWDDY-SFHVURJKSA-N 1 1 373.501 1.716 20 30 FDEDMO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000885880601 985744463 /nfs/dbraw/zinc/74/44/63/985744463.db2.gz VAZJAYGGHALUQG-KXBFYZLASA-N 1 1 365.474 1.618 20 30 FDEDMO N#CC1(C[C@H](O)C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCC1 ZINC000886089592 985871180 /nfs/dbraw/zinc/87/11/80/985871180.db2.gz FENDZSHPWGCCHW-PMPSAXMXSA-N 1 1 356.488 1.099 20 30 FDEDMO N#CC1(C[C@H](O)C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCC1 ZINC000886089592 985871195 /nfs/dbraw/zinc/87/11/95/985871195.db2.gz FENDZSHPWGCCHW-PMPSAXMXSA-N 1 1 356.488 1.099 20 30 FDEDMO N#CC1(C[C@@H](O)C[N@@H+](CCN2CCOCC2)[C@H]2CCSC2)CCC1 ZINC000886274187 986017702 /nfs/dbraw/zinc/01/77/02/986017702.db2.gz NYXBSWOYEKQHJO-DLBZAZTESA-N 1 1 353.532 1.571 20 30 FDEDMO C#CC[C@H]1CC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000886355429 986095318 /nfs/dbraw/zinc/09/53/18/986095318.db2.gz IMEKXAXWOXQCKF-SFHVURJKSA-N 1 1 353.466 1.884 20 30 FDEDMO N#CCOc1ccc(Cl)cc1C[NH+]1CCC(O)(COCCO)CC1 ZINC000886740868 986530230 /nfs/dbraw/zinc/53/02/30/986530230.db2.gz LNKSMMZJJNIAGP-UHFFFAOYSA-N 1 1 354.834 1.578 20 30 FDEDMO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000871050864 986617614 /nfs/dbraw/zinc/61/76/14/986617614.db2.gz LIJUDXJJRCJUFB-SJLPKXTDSA-N 1 1 374.533 1.920 20 30 FDEDMO C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000871089018 986661960 /nfs/dbraw/zinc/66/19/60/986661960.db2.gz KJIVLVFQAGSVOS-HZPDHXFCSA-N 1 1 358.490 1.621 20 30 FDEDMO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000871098465 986667249 /nfs/dbraw/zinc/66/72/49/986667249.db2.gz CMJGWMCJKYELNJ-QGZVFWFLSA-N 1 1 374.533 1.574 20 30 FDEDMO C[N@H+]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CCC1(C)C ZINC000871152778 986721531 /nfs/dbraw/zinc/72/15/31/986721531.db2.gz RZYNSECCIKZWBY-UHFFFAOYSA-N 1 1 352.442 1.882 20 30 FDEDMO C[N@@H+](CCCNC(=O)C(=O)Nc1ccc(C#N)cn1)Cc1ccccc1 ZINC000292989334 987949346 /nfs/dbraw/zinc/94/93/46/987949346.db2.gz IKUPGWSGBZXTPT-UHFFFAOYSA-N 1 1 351.410 1.530 20 30 FDEDMO C#CCNC(=O)CC[NH+]1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000293144189 987975307 /nfs/dbraw/zinc/97/53/07/987975307.db2.gz QPTKXUDQCFVAES-AWEZNQCLSA-N 1 1 373.482 1.616 20 30 FDEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000293161806 987980376 /nfs/dbraw/zinc/98/03/76/987980376.db2.gz CJFPLZVYYZJQLC-VQTJNVASSA-N 1 1 372.513 1.214 20 30 FDEDMO N#Cc1ccccc1CN1C(=O)CN(C[N@H+]2CC[C@H]3CSC[C@H]3C2)C1=O ZINC000872723090 988008487 /nfs/dbraw/zinc/00/84/87/988008487.db2.gz XYFFGTPCYAJMLY-DLBZAZTESA-N 1 1 370.478 1.965 20 30 FDEDMO C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC[N@H+](C2CCC2)C1 ZINC000293271399 988011905 /nfs/dbraw/zinc/01/19/05/988011905.db2.gz BBEZGZQGCPFUFC-OAHLLOKOSA-N 1 1 370.453 1.860 20 30 FDEDMO CC(C)[C@H]1CN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC[N@H+]1C ZINC000872736010 988021147 /nfs/dbraw/zinc/02/11/47/988021147.db2.gz JVYBCMLJWKATKL-GOSISDBHSA-N 1 1 369.469 1.552 20 30 FDEDMO C[N@H+]1CCC[C@H](N2CCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)C1 ZINC000360962895 988228909 /nfs/dbraw/zinc/22/89/09/988228909.db2.gz RZDFVPKRYSHJED-PMACEKPBSA-N 1 1 367.497 1.375 20 30 FDEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC000872937417 988309358 /nfs/dbraw/zinc/30/93/58/988309358.db2.gz FWELPFQMJBCQCI-QGZVFWFLSA-N 1 1 370.501 1.763 20 30 FDEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)CC1 ZINC000299361492 988368772 /nfs/dbraw/zinc/36/87/72/988368772.db2.gz YYQYHMRVJZVITQ-CALCHBBNSA-N 1 1 356.470 1.476 20 30 FDEDMO COc1ccc(C[N@H+]2CCCN(C(=O)CN(C)[C@@H](C)CC#N)CC2)cc1 ZINC000366094939 988397067 /nfs/dbraw/zinc/39/70/67/988397067.db2.gz KYGGZALITVJPIO-KRWDZBQOSA-N 1 1 358.486 1.963 20 30 FDEDMO N#Cc1ccc(N2CCN(C(=O)NCc3c[nH+]c4n3CCCC4)CC2)cn1 ZINC000873007450 988402852 /nfs/dbraw/zinc/40/28/52/988402852.db2.gz QLKKIGYJLSHCTR-UHFFFAOYSA-N 1 1 365.441 1.518 20 30 FDEDMO Cc1nc(C(=O)NC2CC[NH+](CC(=O)N3CCCC3)CC2)ccc1C#N ZINC000361683439 988458958 /nfs/dbraw/zinc/45/89/58/988458958.db2.gz WCZYBTDARWFNRM-UHFFFAOYSA-N 1 1 355.442 1.078 20 30 FDEDMO COCCC[N@@H+](C)CCNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000362876447 988758857 /nfs/dbraw/zinc/75/88/57/988758857.db2.gz CCPYJJFEZBIANF-SFHVURJKSA-N 1 1 373.501 1.563 20 30 FDEDMO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCC[NH+]3CCOCC3)C2)n1 ZINC000362881596 988761349 /nfs/dbraw/zinc/76/13/49/988761349.db2.gz YSFXCBKYYYJHAT-GOSISDBHSA-N 1 1 371.485 1.317 20 30 FDEDMO C=CCN(C(=O)CN(C)C(=O)COC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363162355 988965201 /nfs/dbraw/zinc/96/52/01/988965201.db2.gz JCIYXURUKCBPGG-SFHVURJKSA-N 1 1 359.470 1.380 20 30 FDEDMO N#CCNC(=O)CNC(=O)[C@@H]1CC[N@@H+](C[C@H]2CCCc3ccccc32)C1 ZINC000367733540 988965251 /nfs/dbraw/zinc/96/52/51/988965251.db2.gz IRVSIJYUYIPTKM-IAGOWNOFSA-N 1 1 354.454 1.184 20 30 FDEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CC1 ZINC000368803242 989008868 /nfs/dbraw/zinc/00/88/68/989008868.db2.gz BVPCUMGCDMGFKS-QGZVFWFLSA-N 1 1 355.438 1.164 20 30 FDEDMO C=CCNC(=O)CNC(=O)[C@@H]1CC[N@@H+](C[C@@H]2CCCc3ccccc32)C1 ZINC000368826413 989010610 /nfs/dbraw/zinc/01/06/10/989010610.db2.gz QXMIYSVSEZRFHQ-ZWKOTPCHSA-N 1 1 355.482 1.847 20 30 FDEDMO CC[C@H](C#N)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](CC)C3)c1C ZINC000369118033 989027007 /nfs/dbraw/zinc/02/70/07/989027007.db2.gz RCDISBMWFGEFEN-OAHLLOKOSA-N 1 1 352.442 1.986 20 30 FDEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000296196292 989030529 /nfs/dbraw/zinc/03/05/29/989030529.db2.gz DEIJCNZOCMAHQS-UHFFFAOYSA-N 1 1 358.486 1.273 20 30 FDEDMO COc1ccc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C#N ZINC000873737467 989092148 /nfs/dbraw/zinc/09/21/48/989092148.db2.gz DBIBHRPJXVOHAY-MQVJKMGUSA-N 1 1 356.426 1.637 20 30 FDEDMO COc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1C#N ZINC000873773572 989156436 /nfs/dbraw/zinc/15/64/36/989156436.db2.gz RVDHSZPQWYCTMZ-BBRMVZONSA-N 1 1 356.426 1.448 20 30 FDEDMO C[N@H+]1CCC[C@@H](N2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)C1 ZINC000363416049 989179460 /nfs/dbraw/zinc/17/94/60/989179460.db2.gz AVCAKMRAGRNSCX-RTBURBONSA-N 1 1 358.486 1.010 20 30 FDEDMO CN1CCN(C[C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000363455795 989216207 /nfs/dbraw/zinc/21/62/07/989216207.db2.gz GRESSRZOFOGLLY-WOJBJXKFSA-N 1 1 372.513 1.257 20 30 FDEDMO CN1CCN(C[C@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000363455795 989216217 /nfs/dbraw/zinc/21/62/17/989216217.db2.gz GRESSRZOFOGLLY-WOJBJXKFSA-N 1 1 372.513 1.257 20 30 FDEDMO N#Cc1ccc(N2CCC(NC(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000363462054 989219156 /nfs/dbraw/zinc/21/91/56/989219156.db2.gz GLOJWXRINROFJN-QZTJIDSGSA-N 1 1 368.485 1.848 20 30 FDEDMO C#CC[N@H+](C)CCCNC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000296494375 989242126 /nfs/dbraw/zinc/24/21/26/989242126.db2.gz BCFZCFNUJDJWJX-MRXNPFEDSA-N 1 1 354.458 1.925 20 30 FDEDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000873831449 989274747 /nfs/dbraw/zinc/27/47/47/989274747.db2.gz UVRVYGZGCBUNTF-CJNGLKHVSA-N 1 1 358.442 1.694 20 30 FDEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000363539594 989279150 /nfs/dbraw/zinc/27/91/50/989279150.db2.gz MQGGOASMQWPLLO-JLSDUUJJSA-N 1 1 370.453 1.502 20 30 FDEDMO Cc1cccnc1NC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000369905116 989289656 /nfs/dbraw/zinc/28/96/56/989289656.db2.gz VTKHISNGMTUBDH-HZPDHXFCSA-N 1 1 357.458 1.801 20 30 FDEDMO Cn1cc(C[C@@H]2CC[N@H+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cn1 ZINC000363586040 989325426 /nfs/dbraw/zinc/32/54/26/989325426.db2.gz KSOWRVIVNVNJCY-MAUKXSAKSA-N 1 1 363.421 1.488 20 30 FDEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCC(=O)NCc1ccc(C#N)cc1 ZINC000363713221 989403438 /nfs/dbraw/zinc/40/34/38/989403438.db2.gz MHFWIEJPSRVXKJ-UXPWSPDFSA-N 1 1 370.497 1.653 20 30 FDEDMO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000363713221 989403441 /nfs/dbraw/zinc/40/34/41/989403441.db2.gz MHFWIEJPSRVXKJ-UXPWSPDFSA-N 1 1 370.497 1.653 20 30 FDEDMO N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000363903424 989457810 /nfs/dbraw/zinc/45/78/10/989457810.db2.gz IRHWTFYWWXWTFN-SJORKVTESA-N 1 1 354.458 1.412 20 30 FDEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000297162213 989486679 /nfs/dbraw/zinc/48/66/79/989486679.db2.gz RPTLIPXXAIWGRM-MRXNPFEDSA-N 1 1 371.485 1.922 20 30 FDEDMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 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523838954 /nfs/dbraw/zinc/83/89/54/523838954.db2.gz PXFJQLVJOVAMGC-UHFFFAOYSA-N 1 1 356.451 1.896 20 30 FDEDMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000110767960 524135148 /nfs/dbraw/zinc/13/51/48/524135148.db2.gz FMUAIZDPCRXPOS-IBGZPJMESA-N 1 1 370.497 1.760 20 30 FDEDMO N#CCCn1ccc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000172152375 524137283 /nfs/dbraw/zinc/13/72/83/524137283.db2.gz NSAHCISVEIFFOJ-UHFFFAOYSA-N 1 1 352.442 1.553 20 30 FDEDMO N#CCN1CCC(CNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000081733939 524175950 /nfs/dbraw/zinc/17/59/50/524175950.db2.gz FLBFTTMOFCSLPI-HXUWFJFHSA-N 1 1 370.497 1.629 20 30 FDEDMO N#CCN1CCC(CNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000081733939 524175955 /nfs/dbraw/zinc/17/59/55/524175955.db2.gz FLBFTTMOFCSLPI-HXUWFJFHSA-N 1 1 370.497 1.629 20 30 FDEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(C)c(NC(C)=O)c2)CC1 ZINC000172455911 524225339 /nfs/dbraw/zinc/22/53/39/524225339.db2.gz OBNQETDQPITHMZ-UHFFFAOYSA-N 1 1 351.472 1.882 20 30 FDEDMO C[N@H+]1CCCC[C@H]1CN1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000111230890 524228223 /nfs/dbraw/zinc/22/82/23/524228223.db2.gz YWZQRWBSBFQCNV-IBGZPJMESA-N 1 1 355.486 1.599 20 30 FDEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+](CC)[C@@H]1CCS(=O)(=O)C1 ZINC000157428736 524270247 /nfs/dbraw/zinc/27/02/47/524270247.db2.gz DYQYXIDTYVFNOM-IAGOWNOFSA-N 1 1 353.484 1.664 20 30 FDEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](CC)[C@@H]1CCS(=O)(=O)C1 ZINC000157428736 524270258 /nfs/dbraw/zinc/27/02/58/524270258.db2.gz DYQYXIDTYVFNOM-IAGOWNOFSA-N 1 1 353.484 1.664 20 30 FDEDMO C=CCOc1ccccc1CNC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000111515329 524294934 /nfs/dbraw/zinc/29/49/34/524294934.db2.gz HFTVOBDRRUZGBL-UHFFFAOYSA-N 1 1 374.485 1.557 20 30 FDEDMO C=CCOc1ccccc1CNC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000111515329 524294938 /nfs/dbraw/zinc/29/49/38/524294938.db2.gz HFTVOBDRRUZGBL-UHFFFAOYSA-N 1 1 374.485 1.557 20 30 FDEDMO CN(C)CC[NH+]1CCC(NC(=O)NCCOc2ccc(C#N)cc2)CC1 ZINC000173743247 524449485 /nfs/dbraw/zinc/44/94/85/524449485.db2.gz GFSCHUGSNSVWGE-UHFFFAOYSA-N 1 1 359.474 1.262 20 30 FDEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000150813439 524491722 /nfs/dbraw/zinc/49/17/22/524491722.db2.gz QNLZVIDSJRLHJH-UHFFFAOYSA-N 1 1 372.469 1.643 20 30 FDEDMO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943762 524556688 /nfs/dbraw/zinc/55/66/88/524556688.db2.gz CJVXOUZSPOVXJJ-HNNXBMFYSA-N 1 1 368.485 1.784 20 30 FDEDMO C[C@H]1C[C@@H](N(C)C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000122743093 524607889 /nfs/dbraw/zinc/60/78/89/524607889.db2.gz OHXRIZIKMZWCBS-YOEHRIQHSA-N 1 1 363.483 1.414 20 30 FDEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000174567444 524631562 /nfs/dbraw/zinc/63/15/62/524631562.db2.gz DIVVJXPJVUAEJO-OAHLLOKOSA-N 1 1 373.384 1.788 20 30 FDEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)n1 ZINC000091194221 524654829 /nfs/dbraw/zinc/65/48/29/524654829.db2.gz GIPQKQJDQATARS-HNNXBMFYSA-N 1 1 374.489 1.902 20 30 FDEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+](CC)CCC)c1 ZINC000174649636 524674789 /nfs/dbraw/zinc/67/47/89/524674789.db2.gz ILXYPPJNFLLAHZ-UHFFFAOYSA-N 1 1 351.472 1.060 20 30 FDEDMO C[C@@H](CNC(=O)NCc1ccc(OCC#N)cc1)CN1CC[NH+](C)CC1 ZINC000174658690 524678074 /nfs/dbraw/zinc/67/80/74/524678074.db2.gz FSTLBWISEBPWRQ-INIZCTEOSA-N 1 1 359.474 1.272 20 30 FDEDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000091251391 524682764 /nfs/dbraw/zinc/68/27/64/524682764.db2.gz PVROJLUXJJURMH-OAHLLOKOSA-N 1 1 360.462 1.511 20 30 FDEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1(C)C ZINC000091581137 524730342 /nfs/dbraw/zinc/73/03/42/524730342.db2.gz XJNMXJHKARWFEY-OKZBNKHCSA-N 1 1 364.534 1.814 20 30 FDEDMO Cc1cccc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1C#N ZINC000174940036 524807132 /nfs/dbraw/zinc/80/71/32/524807132.db2.gz TUJDKFBRYTUVGM-HNNXBMFYSA-N 1 1 358.442 1.158 20 30 FDEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)COCc1ccccc1 ZINC000114462099 524807267 /nfs/dbraw/zinc/80/72/67/524807267.db2.gz RLEYSWOQWMPKJC-KPFFTGBYSA-N 1 1 361.486 1.939 20 30 FDEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CCN1CCOCC1 ZINC000114464014 524811953 /nfs/dbraw/zinc/81/19/53/524811953.db2.gz UHKJWGLKGMBMSR-MRXNPFEDSA-N 1 1 351.516 1.915 20 30 FDEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CCN1CCOCC1 ZINC000114464014 524811959 /nfs/dbraw/zinc/81/19/59/524811959.db2.gz UHKJWGLKGMBMSR-MRXNPFEDSA-N 1 1 351.516 1.915 20 30 FDEDMO CN1CC[NH+](Cc2ccc(CNC(=O)C3(C#N)CCOCC3)cc2)CC1 ZINC000114679370 524851283 /nfs/dbraw/zinc/85/12/83/524851283.db2.gz VLKUZCUUSKDCBE-UHFFFAOYSA-N 1 1 356.470 1.371 20 30 FDEDMO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C[C@H](C)[NH2+]1 ZINC000123896596 524856775 /nfs/dbraw/zinc/85/67/75/524856775.db2.gz LREQALFDUMYJGH-AOOOYVTPSA-N 1 1 358.261 1.692 20 30 FDEDMO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2CCC(=O)N(C)CCC#N)cc1 ZINC000092802776 524916581 /nfs/dbraw/zinc/91/65/81/524916581.db2.gz RBVQURFRESXNCZ-KRWDZBQOSA-N 1 1 358.442 1.860 20 30 FDEDMO CC[C@H](C)NC(=O)CN1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000124279483 524947082 /nfs/dbraw/zinc/94/70/82/524947082.db2.gz YTJGXBUTIQCPIN-INIZCTEOSA-N 1 1 371.485 1.419 20 30 FDEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000115433042 524990912 /nfs/dbraw/zinc/99/09/12/524990912.db2.gz YDVYDNZNEJGGIY-OAHLLOKOSA-N 1 1 363.483 1.012 20 30 FDEDMO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000093530828 524990916 /nfs/dbraw/zinc/99/09/16/524990916.db2.gz DQASDYVIXZDGGT-QGZVFWFLSA-N 1 1 373.482 1.587 20 30 FDEDMO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000093530828 524990929 /nfs/dbraw/zinc/99/09/29/524990929.db2.gz DQASDYVIXZDGGT-QGZVFWFLSA-N 1 1 373.482 1.587 20 30 FDEDMO CN(C)c1nc(N2CCN(Cc3cnc4ccc(C#N)cn34)CC2)cc[nH+]1 ZINC000093562743 524994815 /nfs/dbraw/zinc/99/48/15/524994815.db2.gz JBKNWKTXKCUHSW-UHFFFAOYSA-N 1 1 362.441 1.384 20 30 FDEDMO C#CCC[NH+]1CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000094080968 525016077 /nfs/dbraw/zinc/01/60/77/525016077.db2.gz ZFPBNSLQMSILRQ-UHFFFAOYSA-N 1 1 362.231 1.273 20 30 FDEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCCc2ccccc21 ZINC000153247759 525155513 /nfs/dbraw/zinc/15/55/13/525155513.db2.gz CKHNHZUMHDREQV-UHFFFAOYSA-N 1 1 352.442 1.707 20 30 FDEDMO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 ZINC000153273687 525164068 /nfs/dbraw/zinc/16/40/68/525164068.db2.gz JWJJQNDHSSVRGR-KGLIPLIRSA-N 1 1 354.458 1.994 20 30 FDEDMO C[C@H](C(=O)NCCc1ccccc1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153321498 525178874 /nfs/dbraw/zinc/17/88/74/525178874.db2.gz LBKRQCBWGKCEFL-CQSZACIVSA-N 1 1 354.458 1.475 20 30 FDEDMO N#CC1(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)CCCCC1 ZINC000125364923 525193858 /nfs/dbraw/zinc/19/38/58/525193858.db2.gz BWJBDFKBLFCHMX-NVXWUHKLSA-N 1 1 358.486 1.804 20 30 FDEDMO N#CC1(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)CCCCC1 ZINC000125364923 525193870 /nfs/dbraw/zinc/19/38/70/525193870.db2.gz BWJBDFKBLFCHMX-NVXWUHKLSA-N 1 1 358.486 1.804 20 30 FDEDMO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000125476342 525204033 /nfs/dbraw/zinc/20/40/33/525204033.db2.gz AEPAPQKCDGMEBG-LBPRGKRZSA-N 1 1 368.441 1.958 20 30 FDEDMO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000125476342 525204046 /nfs/dbraw/zinc/20/40/46/525204046.db2.gz AEPAPQKCDGMEBG-LBPRGKRZSA-N 1 1 368.441 1.958 20 30 FDEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000162567540 525280754 /nfs/dbraw/zinc/28/07/54/525280754.db2.gz BUPYYHVOILPVSQ-IBGZPJMESA-N 1 1 356.470 1.566 20 30 FDEDMO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162808321 525321203 /nfs/dbraw/zinc/32/12/03/525321203.db2.gz KDJMVVZWHBDUKK-MAUKXSAKSA-N 1 1 369.469 1.124 20 30 FDEDMO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000104076330 525391092 /nfs/dbraw/zinc/39/10/92/525391092.db2.gz MNAKDISQMURYKQ-KGLIPLIRSA-N 1 1 366.425 1.268 20 30 FDEDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000104076330 525391100 /nfs/dbraw/zinc/39/11/00/525391100.db2.gz MNAKDISQMURYKQ-KGLIPLIRSA-N 1 1 366.425 1.268 20 30 FDEDMO NC(=[NH+]OCC(=O)NCc1ccc(N2CCCC2=O)cc1)C1CCCC1 ZINC000178303100 525410457 /nfs/dbraw/zinc/41/04/57/525410457.db2.gz HJPXONAMLSTBJZ-UHFFFAOYSA-N 1 1 358.442 1.909 20 30 FDEDMO CCC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C)c2C#N)CC[N@@H+]1CCOC ZINC000154076424 525414693 /nfs/dbraw/zinc/41/46/93/525414693.db2.gz XHOBXKNJDHQNGX-MRXNPFEDSA-N 1 1 372.469 1.765 20 30 FDEDMO CCC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C)c2C#N)CC[N@H+]1CCOC ZINC000154076424 525414698 /nfs/dbraw/zinc/41/46/98/525414698.db2.gz XHOBXKNJDHQNGX-MRXNPFEDSA-N 1 1 372.469 1.765 20 30 FDEDMO CCC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CC[N@@H+]1CCOC ZINC000154079035 525414987 /nfs/dbraw/zinc/41/49/87/525414987.db2.gz DMCMQFILEMHSMM-QGZVFWFLSA-N 1 1 358.442 1.456 20 30 FDEDMO CCC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CC[N@H+]1CCOC ZINC000154079035 525414994 /nfs/dbraw/zinc/41/49/94/525414994.db2.gz DMCMQFILEMHSMM-QGZVFWFLSA-N 1 1 358.442 1.456 20 30 FDEDMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)Cc2cccc(C#N)c2)CC1=O ZINC000105316370 525492739 /nfs/dbraw/zinc/49/27/39/525492739.db2.gz WEWVQHWOFKZESP-MOPGFXCFSA-N 1 1 368.481 1.849 20 30 FDEDMO C#CCOc1cccc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000154439611 525535434 /nfs/dbraw/zinc/53/54/34/525535434.db2.gz XTDHIGKALZRIAJ-QGZVFWFLSA-N 1 1 357.454 1.970 20 30 FDEDMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)CC1(C#N)CC1 ZINC000165657383 525556405 /nfs/dbraw/zinc/55/64/05/525556405.db2.gz FOKPDOSWGSCGIP-INIZCTEOSA-N 1 1 362.499 1.420 20 30 FDEDMO CCC[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2C)CC[N@@H+]1CCOC ZINC000179391718 525574159 /nfs/dbraw/zinc/57/41/59/525574159.db2.gz VFTGGHYPAIOWBK-KRWDZBQOSA-N 1 1 372.469 1.765 20 30 FDEDMO CCC[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2C)CC[N@H+]1CCOC ZINC000179391718 525574167 /nfs/dbraw/zinc/57/41/67/525574167.db2.gz VFTGGHYPAIOWBK-KRWDZBQOSA-N 1 1 372.469 1.765 20 30 FDEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000128913819 525592266 /nfs/dbraw/zinc/59/22/66/525592266.db2.gz AUXOIFJAEXZJIY-QZTJIDSGSA-N 1 1 373.501 1.716 20 30 FDEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000128913819 525592279 /nfs/dbraw/zinc/59/22/79/525592279.db2.gz AUXOIFJAEXZJIY-QZTJIDSGSA-N 1 1 373.501 1.716 20 30 FDEDMO N#Cc1ccccc1N1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000170743436 525699605 /nfs/dbraw/zinc/69/96/05/525699605.db2.gz SMZMWYWACAPJCY-UHFFFAOYSA-N 1 1 357.458 1.112 20 30 FDEDMO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000119316580 525705998 /nfs/dbraw/zinc/70/59/98/525705998.db2.gz QJBYFIPNWGYKEO-FQEVSTJZSA-N 1 1 374.529 1.450 20 30 FDEDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000119316580 525706005 /nfs/dbraw/zinc/70/60/05/525706005.db2.gz QJBYFIPNWGYKEO-FQEVSTJZSA-N 1 1 374.529 1.450 20 30 FDEDMO C=CCNC(=O)CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000180547206 525720522 /nfs/dbraw/zinc/72/05/22/525720522.db2.gz TXUPQISXPNOEJY-AWEZNQCLSA-N 1 1 350.488 1.562 20 30 FDEDMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3ccc(C#N)[nH]3)cc2)CC1 ZINC000119416522 525739149 /nfs/dbraw/zinc/73/91/49/525739149.db2.gz IYDUOSDOHYGCPI-UHFFFAOYSA-N 1 1 365.437 1.845 20 30 FDEDMO C=C(C)CN(CC)C(=O)CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000180732234 525748329 /nfs/dbraw/zinc/74/83/29/525748329.db2.gz NMNSWYDPQDNEAU-HDICACEKSA-N 1 1 369.465 1.528 20 30 FDEDMO C[NH+](C)CCN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000130479619 525761865 /nfs/dbraw/zinc/76/18/65/525761865.db2.gz DRFKZTFIICPXKA-AWEZNQCLSA-N 1 1 369.874 1.403 20 30 FDEDMO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000119703052 525833870 /nfs/dbraw/zinc/83/38/70/525833870.db2.gz WGBVPWTZKZACOE-JKSUJKDBSA-N 1 1 357.520 1.514 20 30 FDEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000181670541 525888037 /nfs/dbraw/zinc/88/80/37/525888037.db2.gz FLOXALUQSPKWNN-UONOGXRCSA-N 1 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C=CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001087472692 818174645 /nfs/dbraw/zinc/17/46/45/818174645.db2.gz SAJOMBJVGSBGNO-GBESFXJTSA-N 1 1 360.454 1.571 20 30 FDEDMO C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[C@H]2COC(=O)C2)C1 ZINC001087474172 818246370 /nfs/dbraw/zinc/24/63/70/818246370.db2.gz PHQQQUVEHVNHPA-MNEFBYGVSA-N 1 1 370.449 1.556 20 30 FDEDMO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[C@H]2COC(=O)C2)C1 ZINC001087474172 818246375 /nfs/dbraw/zinc/24/63/75/818246375.db2.gz PHQQQUVEHVNHPA-MNEFBYGVSA-N 1 1 370.449 1.556 20 30 FDEDMO N#Cc1ncn(CC[NH2+][C@H](C(=O)NCc2ccccc2)c2ccccc2)n1 ZINC000507221381 818682820 /nfs/dbraw/zinc/68/28/20/818682820.db2.gz IYFMFUJEZZGLJE-IBGZPJMESA-N 1 1 360.421 1.797 20 30 FDEDMO C[N@@H+](CCCNC(=O)C(=O)Nc1cccc(C#N)n1)Cc1ccccc1 ZINC000519601065 818736474 /nfs/dbraw/zinc/73/64/74/818736474.db2.gz NFKMQZRKIRAWPL-UHFFFAOYSA-N 1 1 351.410 1.530 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2cnsn2)CC1 ZINC001029146857 818934585 /nfs/dbraw/zinc/93/45/85/818934585.db2.gz WSRNLEUNWDRTCI-MAZHCROVSA-N 1 1 350.488 1.846 20 30 FDEDMO CCNC(=O)c1cccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000519697419 819017315 /nfs/dbraw/zinc/01/73/15/819017315.db2.gz JKCJGRGFUAGODT-UHFFFAOYSA-N 1 1 372.450 1.266 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CC[N@@H+]1Cc1ccccc1C#N ZINC001087497952 819318735 /nfs/dbraw/zinc/31/87/35/819318735.db2.gz QTFZUOVCKZDAKN-ZWKOTPCHSA-N 1 1 354.454 1.650 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CC[N@H+]1Cc1ccccc1C#N ZINC001087497952 819318742 /nfs/dbraw/zinc/31/87/42/819318742.db2.gz QTFZUOVCKZDAKN-ZWKOTPCHSA-N 1 1 354.454 1.650 20 30 FDEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000328696028 819535607 /nfs/dbraw/zinc/53/56/07/819535607.db2.gz KPZHOYOJERRBPP-CQSZACIVSA-N 1 1 365.478 1.038 20 30 FDEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000983803633 819576619 /nfs/dbraw/zinc/57/66/19/819576619.db2.gz 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353.466 1.317 20 30 FDEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)CC[C@H]3NC(=O)NC3=O)CCC[C@@H]12 ZINC001107627947 906097759 /nfs/dbraw/zinc/09/77/59/906097759.db2.gz JKHPNXHEWHGGTQ-PBFPGSCMSA-N 1 1 368.865 1.088 20 30 FDEDMO CC[C@H](C)C(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2 ZINC001107637032 906138895 /nfs/dbraw/zinc/13/88/95/906138895.db2.gz QQEYHWSCWVWBJS-SQGPQFPESA-N 1 1 363.502 1.159 20 30 FDEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]2O)C1 ZINC001077645763 906175069 /nfs/dbraw/zinc/17/50/69/906175069.db2.gz WEKDPISSFHQWGQ-RTBURBONSA-N 1 1 366.465 1.890 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)c(CC)o3)C2)C1=O ZINC001080767825 906188019 /nfs/dbraw/zinc/18/80/19/906188019.db2.gz WWVYECBQIMASPH-BZUAXINKSA-N 1 1 359.470 1.987 20 30 FDEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)c(CC)o3)C2)C1=O ZINC001080767825 906188029 /nfs/dbraw/zinc/18/80/29/906188029.db2.gz WWVYECBQIMASPH-BZUAXINKSA-N 1 1 359.470 1.987 20 30 FDEDMO C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)OCCOCC)CCC[C@@H]12 ZINC001107641940 906209872 /nfs/dbraw/zinc/20/98/72/906209872.db2.gz IWFSUIIZTJFYNF-NLWGTHIKSA-N 1 1 368.518 1.991 20 30 FDEDMO C=CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC(C)C)CC2 ZINC001107651209 906231230 /nfs/dbraw/zinc/23/12/30/906231230.db2.gz UPBNTSCTSQEJCN-MBOZVWFJSA-N 1 1 365.518 1.711 20 30 FDEDMO CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CS(=O)(=O)CCCC)CCC[C@@H]12 ZINC001107647884 906274103 /nfs/dbraw/zinc/27/41/03/906274103.db2.gz YSXZDILSBAVDAR-SJLPKXTDSA-N 1 1 354.516 1.585 20 30 FDEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)CS(=O)(=O)CCCC)CCC[C@@H]12 ZINC001107647884 906274118 /nfs/dbraw/zinc/27/41/18/906274118.db2.gz YSXZDILSBAVDAR-SJLPKXTDSA-N 1 1 354.516 1.585 20 30 FDEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)Cc3ccc(C(N)=O)cc3)CCC[C@@H]12 ZINC001107648537 906277404 /nfs/dbraw/zinc/27/74/04/906277404.db2.gz LEJIMEWCJZTQGH-WIYYLYMNSA-N 1 1 353.466 1.712 20 30 FDEDMO C=CCCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N(C)C(C)C)CC2 ZINC001107648917 906281706 /nfs/dbraw/zinc/28/17/06/906281706.db2.gz AAMDYJMCJWWXBS-YLJYHZDGSA-N 1 1 365.518 1.807 20 30 FDEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]2OC)nn1 ZINC001082212944 906295406 /nfs/dbraw/zinc/29/54/06/906295406.db2.gz HJUQVFWVJAFDBA-NVXWUHKLSA-N 1 1 359.474 1.473 20 30 FDEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(OC)c3)C[C@H]2OC)nn1 ZINC001082213086 906297780 /nfs/dbraw/zinc/29/77/80/906297780.db2.gz KGTUJSZBPDNBLQ-SJLPKXTDSA-N 1 1 371.441 1.102 20 30 FDEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(OC)c3)C[C@H]2OC)nn1 ZINC001082213086 906297799 /nfs/dbraw/zinc/29/77/99/906297799.db2.gz KGTUJSZBPDNBLQ-SJLPKXTDSA-N 1 1 371.441 1.102 20 30 FDEDMO CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001080812999 906372680 /nfs/dbraw/zinc/37/26/80/906372680.db2.gz CMRVJNHPFBFDGJ-ZMYBRWDISA-N 1 1 354.454 1.506 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1OC ZINC001082227342 906421253 /nfs/dbraw/zinc/42/12/53/906421253.db2.gz DPDURXCLPSUGQQ-HZMVEIRTSA-N 1 1 365.499 1.482 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1OC ZINC001082227342 906421257 /nfs/dbraw/zinc/42/12/57/906421257.db2.gz DPDURXCLPSUGQQ-HZMVEIRTSA-N 1 1 365.499 1.482 20 30 FDEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1C ZINC001080851596 906446024 /nfs/dbraw/zinc/44/60/24/906446024.db2.gz REWNTAQBDYVMNS-ATZDWAIDSA-N 1 1 353.466 1.268 20 30 FDEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2cc(OC)no2)C[C@H]1C ZINC001080851718 906446387 /nfs/dbraw/zinc/44/63/87/906446387.db2.gz XHDURSNFDWUQEB-RDTXWAMCSA-N 1 1 353.422 1.844 20 30 FDEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)no2)C[C@H]1C ZINC001080851718 906446394 /nfs/dbraw/zinc/44/63/94/906446394.db2.gz XHDURSNFDWUQEB-RDTXWAMCSA-N 1 1 353.422 1.844 20 30 FDEDMO CC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001080860721 906479696 /nfs/dbraw/zinc/47/96/96/906479696.db2.gz WVFMYCSNKCTPQM-NIKGAXFTSA-N 1 1 354.454 1.363 20 30 FDEDMO CC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001080860721 906479706 /nfs/dbraw/zinc/47/97/06/906479706.db2.gz WVFMYCSNKCTPQM-NIKGAXFTSA-N 1 1 354.454 1.363 20 30 FDEDMO Cc1ncccc1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077672763 906583783 /nfs/dbraw/zinc/58/37/83/906583783.db2.gz IEMAWSOESALKTE-RTBURBONSA-N 1 1 350.422 1.166 20 30 FDEDMO Cc1ncccc1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077672763 906583808 /nfs/dbraw/zinc/58/38/08/906583808.db2.gz IEMAWSOESALKTE-RTBURBONSA-N 1 1 350.422 1.166 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3c(C)noc3C)C2)C1=O ZINC001080928667 906705405 /nfs/dbraw/zinc/70/54/05/906705405.db2.gz VINKMHBQAYVAPP-CSMYWGQOSA-N 1 1 360.458 1.057 20 30 FDEDMO COc1ccc(C#N)cc1CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001080935479 906725173 /nfs/dbraw/zinc/72/51/73/906725173.db2.gz WMWNBGCITJBXCU-UWWQBHOKSA-N 1 1 356.470 1.455 20 30 FDEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccc(C(=O)N(C)C)cc2)[C@H](OC)C1 ZINC001082330885 906798703 /nfs/dbraw/zinc/79/87/03/906798703.db2.gz OYQRTTIUVXQRSL-QZTJIDSGSA-N 1 1 359.470 1.784 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@H]2OC)cn1 ZINC001082333508 906826235 /nfs/dbraw/zinc/82/62/35/906826235.db2.gz LPQNWHVDLXDADQ-WOJBJXKFSA-N 1 1 365.433 1.184 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@H]2OC)cn1 ZINC001082333508 906826246 /nfs/dbraw/zinc/82/62/46/906826246.db2.gz LPQNWHVDLXDADQ-WOJBJXKFSA-N 1 1 365.433 1.184 20 30 FDEDMO CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cnn(C(C)C)c1 ZINC001082323029 906874843 /nfs/dbraw/zinc/87/48/43/906874843.db2.gz ZRQUEVWTHRXJOO-RTBURBONSA-N 1 1 367.453 1.965 20 30 FDEDMO CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cnn(C(C)C)c1 ZINC001082323029 906874863 /nfs/dbraw/zinc/87/48/63/906874863.db2.gz ZRQUEVWTHRXJOO-RTBURBONSA-N 1 1 367.453 1.965 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2nc(C(F)F)no2)CC1 ZINC000997012349 906929132 /nfs/dbraw/zinc/92/91/32/906929132.db2.gz QYILXRJCISHMIE-NEPJUHHUSA-N 1 1 356.373 1.679 20 30 FDEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](Cc2cnccc2C)C[C@H]1OC ZINC001082345618 906938384 /nfs/dbraw/zinc/93/83/84/906938384.db2.gz UEQZHWVCQQULPW-NHCUHLMSSA-N 1 1 363.461 1.929 20 30 FDEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2cnccc2C)C[C@H]1OC ZINC001082345618 906938388 /nfs/dbraw/zinc/93/83/88/906938388.db2.gz UEQZHWVCQQULPW-NHCUHLMSSA-N 1 1 363.461 1.929 20 30 FDEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C)nc3C)C2)C1=O ZINC001080988310 906954690 /nfs/dbraw/zinc/95/46/90/906954690.db2.gz MYKMRBXDHABTCE-FSPWUOQZSA-N 1 1 356.470 1.535 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C)nc3C)C2)C1=O ZINC001080988310 906954700 /nfs/dbraw/zinc/95/47/00/906954700.db2.gz MYKMRBXDHABTCE-FSPWUOQZSA-N 1 1 356.470 1.535 20 30 FDEDMO CCn1nc(C)c(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)n1 ZINC001081050954 907108198 /nfs/dbraw/zinc/10/81/98/907108198.db2.gz DYLICAFSVNOSRN-CRAIPNDOSA-N 1 1 351.454 1.708 20 30 FDEDMO CCn1nc(C)c(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C)n1 ZINC001081050954 907108204 /nfs/dbraw/zinc/10/82/04/907108204.db2.gz DYLICAFSVNOSRN-CRAIPNDOSA-N 1 1 351.454 1.708 20 30 FDEDMO C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C3)C1 ZINC000997088198 907241055 /nfs/dbraw/zinc/24/10/55/907241055.db2.gz XDQJPMOIASRQSN-QZWWFDLISA-N 1 1 361.486 1.312 20 30 FDEDMO C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C3)C1 ZINC000997088198 907241069 /nfs/dbraw/zinc/24/10/69/907241069.db2.gz XDQJPMOIASRQSN-QZWWFDLISA-N 1 1 361.486 1.312 20 30 FDEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]Cc1nc(C2CC2)nn1C ZINC001082464853 907899846 /nfs/dbraw/zinc/89/98/46/907899846.db2.gz MRCAAAIFPSBSKL-IAQYHMDHSA-N 1 1 353.430 1.143 20 30 FDEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]Cc1nnc(C2CC2)s1 ZINC001082464897 907900193 /nfs/dbraw/zinc/90/01/93/907900193.db2.gz PUIHAQXMDFUSRT-QMTHXVAHSA-N 1 1 356.455 1.866 20 30 FDEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC001082465003 907900427 /nfs/dbraw/zinc/90/04/27/907900427.db2.gz XJYVDWQGPXEPRS-SSKCKEOISA-N 1 1 369.400 1.302 20 30 FDEDMO CCCc1nnc(C[NH2+][C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)s1 ZINC001082480283 907948805 /nfs/dbraw/zinc/94/88/05/907948805.db2.gz VPNWYOQBBYQOSU-BXUZGUMPSA-N 1 1 358.471 1.941 20 30 FDEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C)c3)C[C@H]2O)cc1 ZINC001077795511 907991707 /nfs/dbraw/zinc/99/17/07/907991707.db2.gz LHXQBVAGOOXNSL-NHCUHLMSSA-N 1 1 364.445 1.982 20 30 FDEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2O)cc1 ZINC001077798029 908097828 /nfs/dbraw/zinc/09/78/28/908097828.db2.gz VMTOXJVYFTWUJA-QZTJIDSGSA-N 1 1 371.462 1.173 20 30 FDEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@H]2O)cc1 ZINC001077798029 908097845 /nfs/dbraw/zinc/09/78/45/908097845.db2.gz 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CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)CNc2ccc(C#N)nn2)CC[N@H+]1C ZINC001113463329 933829431 /nfs/dbraw/zinc/82/94/31/933829431.db2.gz NWKWDKQGPSFYME-JKSUJKDBSA-N 1 1 358.490 1.975 20 30 FDEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001086594455 933868022 /nfs/dbraw/zinc/86/80/22/933868022.db2.gz AEMUULPLPDFWLK-UEXGIBASSA-N 1 1 353.466 1.510 20 30 FDEDMO C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc3ncnn32)C1 ZINC001086597534 933970883 /nfs/dbraw/zinc/97/08/83/933970883.db2.gz KOLQQOBUFHKHCU-ZWKOTPCHSA-N 1 1 359.433 1.950 20 30 FDEDMO C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001086597944 933980936 /nfs/dbraw/zinc/98/09/36/933980936.db2.gz HHYKMUJCXYDWOE-CEXWTWQISA-N 1 1 370.497 1.937 20 30 FDEDMO C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001086597945 933981181 /nfs/dbraw/zinc/98/11/81/933981181.db2.gz HHYKMUJCXYDWOE-GBESFXJTSA-N 1 1 370.497 1.937 20 30 FDEDMO 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C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](OC)c2ccc(F)cc2)[C@@H](n2ccnn2)C1 ZINC001129476456 938432267 /nfs/dbraw/zinc/43/22/67/938432267.db2.gz IVHSZWUVAWLKMQ-FGTMMUONSA-N 1 1 371.416 1.170 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](OC)c2ccc(F)cc2)[C@@H](n2ccnn2)C1 ZINC001129476456 938432271 /nfs/dbraw/zinc/43/22/71/938432271.db2.gz IVHSZWUVAWLKMQ-FGTMMUONSA-N 1 1 371.416 1.170 20 30 FDEDMO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)OCC=C)[C@@H](n2ccnn2)C1 ZINC001129480652 938433908 /nfs/dbraw/zinc/43/39/08/938433908.db2.gz ADLCAXXUISYAJG-KURKYZTESA-N 1 1 361.490 1.957 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cnc(OCC)cn2)[C@@H](n2ccnn2)C1 ZINC001129490424 938441971 /nfs/dbraw/zinc/44/19/71/938441971.db2.gz FBGVGGUTIOBFAV-CVEARBPZSA-N 1 1 371.445 1.088 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001086624572 938483634 /nfs/dbraw/zinc/48/36/34/938483634.db2.gz KROSFVBLPOWQSQ-XUVXKRRUSA-N 1 1 371.481 1.394 20 30 FDEDMO 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C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001086625885 938550733 /nfs/dbraw/zinc/55/07/33/938550733.db2.gz GDPFCWUNACJNEA-QFBILLFUSA-N 1 1 364.449 1.954 20 30 FDEDMO C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)F)[nH]n2)C[C@@H]1n1ccnn1 ZINC001130000670 938607815 /nfs/dbraw/zinc/60/78/15/938607815.db2.gz JEUZKUYYSYNEMJ-KGLIPLIRSA-N 1 1 365.388 1.560 20 30 FDEDMO C#C[C@@H](CC)NC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000805348656 938721663 /nfs/dbraw/zinc/72/16/63/938721663.db2.gz WPCPELHZPWRREZ-PMACEKPBSA-N 1 1 354.498 2.000 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCO2)n1 ZINC001130181701 938728836 /nfs/dbraw/zinc/72/88/36/938728836.db2.gz QZMHVTREWFOUEN-KKUMJFAQSA-N 1 1 363.462 1.028 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CCCO2)n[nH]1 ZINC001130181701 938728839 /nfs/dbraw/zinc/72/88/39/938728839.db2.gz QZMHVTREWFOUEN-KKUMJFAQSA-N 1 1 363.462 1.028 20 30 FDEDMO 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C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC=CCC2)n[nH]1 ZINC001130182953 938742049 /nfs/dbraw/zinc/74/20/49/938742049.db2.gz IHMYITOCNIGGBD-PMPSAXMXSA-N 1 1 357.458 1.263 20 30 FDEDMO CC(C)=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC(C)C)n1 ZINC001130209890 938748011 /nfs/dbraw/zinc/74/80/11/938748011.db2.gz PRFZAAPMUFZIJI-HOTGVXAUSA-N 1 1 359.474 1.509 20 30 FDEDMO CC(C)=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC(C)C)n[nH]1 ZINC001130209890 938748013 /nfs/dbraw/zinc/74/80/13/938748013.db2.gz PRFZAAPMUFZIJI-HOTGVXAUSA-N 1 1 359.474 1.509 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)n1 ZINC001130210216 938748038 /nfs/dbraw/zinc/74/80/38/938748038.db2.gz ZNCSVWOVXMCUEE-HMDCTGQHSA-N 1 1 371.485 1.671 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)n[nH]1 ZINC001130210216 938748039 /nfs/dbraw/zinc/74/80/39/938748039.db2.gz ZNCSVWOVXMCUEE-HMDCTGQHSA-N 1 1 371.485 1.671 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc[nH]c2)n1 ZINC001130212992 938750054 /nfs/dbraw/zinc/75/00/54/938750054.db2.gz NZZDSKCNOFBFFQ-GJZGRUSLSA-N 1 1 358.446 1.491 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc[nH]c2)n[nH]1 ZINC001130212992 938750055 /nfs/dbraw/zinc/75/00/55/938750055.db2.gz NZZDSKCNOFBFFQ-GJZGRUSLSA-N 1 1 358.446 1.491 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc[nH]c2)n1 ZINC001130212959 938750078 /nfs/dbraw/zinc/75/00/78/938750078.db2.gz MWZHNYIMFFKLAK-GJZGRUSLSA-N 1 1 358.446 1.491 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc[nH]c2)n[nH]1 ZINC001130212959 938750079 /nfs/dbraw/zinc/75/00/79/938750079.db2.gz MWZHNYIMFFKLAK-GJZGRUSLSA-N 1 1 358.446 1.491 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccc(CC)n2)n1 ZINC001130220569 938751321 /nfs/dbraw/zinc/75/13/21/938751321.db2.gz FBYSMJDRBYJTKM-HOCLYGCPSA-N 1 1 370.457 1.340 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccc(CC)n2)n[nH]1 ZINC001130220569 938751322 /nfs/dbraw/zinc/75/13/22/938751322.db2.gz FBYSMJDRBYJTKM-HOCLYGCPSA-N 1 1 370.457 1.340 20 30 FDEDMO C=C(C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130216119 938752341 /nfs/dbraw/zinc/75/23/41/938752341.db2.gz NCAQJBQTPKKCAQ-KBPBESRZSA-N 1 1 353.442 1.599 20 30 FDEDMO C=C(C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1 ZINC001130216119 938752342 /nfs/dbraw/zinc/75/23/42/938752342.db2.gz NCAQJBQTPKKCAQ-KBPBESRZSA-N 1 1 353.442 1.599 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)OCC(C)C)n1 ZINC001130200330 938754219 /nfs/dbraw/zinc/75/42/19/938754219.db2.gz IISMJCQEMNGSSK-ILXRZTDVSA-N 1 1 365.478 1.130 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)OCC(C)C)n[nH]1 ZINC001130200330 938754220 /nfs/dbraw/zinc/75/42/20/938754220.db2.gz IISMJCQEMNGSSK-ILXRZTDVSA-N 1 1 365.478 1.130 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC2(C)C)n1 ZINC001130200870 938754370 /nfs/dbraw/zinc/75/43/70/938754370.db2.gz YXGJWHDBCJHSET-KKUMJFAQSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC2(C)C)n[nH]1 ZINC001130200870 938754372 /nfs/dbraw/zinc/75/43/72/938754372.db2.gz YXGJWHDBCJHSET-KKUMJFAQSA-N 1 1 361.490 1.895 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCC(C)(F)F)n1 ZINC001130221197 938756700 /nfs/dbraw/zinc/75/67/00/938756700.db2.gz ZBKFGIGHYAQZHW-STQMWFEESA-N 1 1 369.416 1.342 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCC(C)(F)F)n[nH]1 ZINC001130221197 938756703 /nfs/dbraw/zinc/75/67/03/938756703.db2.gz ZBKFGIGHYAQZHW-STQMWFEESA-N 1 1 369.416 1.342 20 30 FDEDMO C=C(C)C(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130225006 938759226 /nfs/dbraw/zinc/75/92/26/938759226.db2.gz NDMLOGSJESOWOE-GJZGRUSLSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C(C)C(C)(C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1 ZINC001130225006 938759228 /nfs/dbraw/zinc/75/92/28/938759228.db2.gz NDMLOGSJESOWOE-GJZGRUSLSA-N 1 1 361.490 1.895 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)co2)n1 ZINC001130229913 938763296 /nfs/dbraw/zinc/76/32/96/938763296.db2.gz HOXSOEPMLQYGFH-ZFWWWQNUSA-N 1 1 357.414 1.122 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)co2)n[nH]1 ZINC001130229913 938763297 /nfs/dbraw/zinc/76/32/97/938763297.db2.gz HOXSOEPMLQYGFH-ZFWWWQNUSA-N 1 1 357.414 1.122 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC2(C)C)[nH]1 ZINC001130230316 938763937 /nfs/dbraw/zinc/76/39/37/938763937.db2.gz RTZMZHHZFWFWMR-KKUMJFAQSA-N 1 1 359.474 1.343 20 30 FDEDMO C=C(C)C[C@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130232221 938764737 /nfs/dbraw/zinc/76/47/37/938764737.db2.gz DFIAGDUACIDPOL-IHRRRGAJSA-N 1 1 353.442 1.455 20 30 FDEDMO C=C(C)C[C@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130232221 938764739 /nfs/dbraw/zinc/76/47/39/938764739.db2.gz DFIAGDUACIDPOL-IHRRRGAJSA-N 1 1 353.442 1.455 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2occc2Cl)n1 ZINC001130232884 938765240 /nfs/dbraw/zinc/76/52/40/938765240.db2.gz RYOAVOQAQSAKIQ-JQWIXIFHSA-N 1 1 365.821 1.629 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2occc2Cl)n[nH]1 ZINC001130232884 938765241 /nfs/dbraw/zinc/76/52/41/938765241.db2.gz RYOAVOQAQSAKIQ-JQWIXIFHSA-N 1 1 365.821 1.629 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2occc2C)n1 ZINC001130234578 938765791 /nfs/dbraw/zinc/76/57/91/938765791.db2.gz BMMSKUFZFLVCKL-HOCLYGCPSA-N 1 1 371.441 1.050 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2occc2C)n[nH]1 ZINC001130234578 938765794 /nfs/dbraw/zinc/76/57/94/938765794.db2.gz BMMSKUFZFLVCKL-HOCLYGCPSA-N 1 1 371.441 1.050 20 30 FDEDMO C=CCCC1(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CC#CC)[nH]2)CC1 ZINC001130234613 938765950 /nfs/dbraw/zinc/76/59/50/938765950.db2.gz DTRUZGXSUWXUMD-HOTGVXAUSA-N 1 1 371.485 1.653 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](OC)C(C)C)n1 ZINC001130234952 938766169 /nfs/dbraw/zinc/76/61/69/938766169.db2.gz QPRTTWGPVKMSFW-DZKIICNBSA-N 1 1 365.478 1.130 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](OC)C(C)C)n[nH]1 ZINC001130234952 938766171 /nfs/dbraw/zinc/76/61/71/938766171.db2.gz QPRTTWGPVKMSFW-DZKIICNBSA-N 1 1 365.478 1.130 20 30 FDEDMO C=C[C@@](C)(CC)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130234931 938766195 /nfs/dbraw/zinc/76/61/95/938766195.db2.gz PSYHZQPFGRMFER-DEYYWGMASA-N 1 1 367.469 1.845 20 30 FDEDMO C=C[C@@](C)(CC)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1 ZINC001130234931 938766196 /nfs/dbraw/zinc/76/61/96/938766196.db2.gz PSYHZQPFGRMFER-DEYYWGMASA-N 1 1 367.469 1.845 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2C2CC2)n1 ZINC001130242484 938769973 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KPYSFOTYURSQEO-GJZGRUSLSA-N 1 1 358.446 1.030 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)C(C)(F)F)[nH]1 ZINC001130251474 938774940 /nfs/dbraw/zinc/77/49/40/938774940.db2.gz XHUOEYORWJOCAV-RYUDHWBXSA-N 1 1 369.416 1.198 20 30 FDEDMO C=CC[C@@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)c1ccncc1 ZINC000805809998 938830893 /nfs/dbraw/zinc/83/08/93/938830893.db2.gz BEFBQRSLXCPEAR-SJLPKXTDSA-N 1 1 374.485 1.432 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCOCC2CC2)C[C@H]1c1cn(C)cn1 ZINC001130590516 939897435 /nfs/dbraw/zinc/89/74/35/939897435.db2.gz UEPHPWCRYDSLMP-DOTOQJQBSA-N 1 1 366.893 1.873 20 30 FDEDMO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cnc[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130690126 939979946 /nfs/dbraw/zinc/97/99/46/939979946.db2.gz YEFIXTJRSORTCE-HHXXYDBFSA-N 1 1 370.501 1.872 20 30 FDEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(F)F)n[nH]2)O1 ZINC001130749947 940057743 /nfs/dbraw/zinc/05/77/43/940057743.db2.gz WDXROYVDYCXXLR-GRYCIOLGSA-N 1 1 357.405 1.850 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccc(F)c3)n[nH]2)O1 ZINC001130753175 940062653 /nfs/dbraw/zinc/06/26/53/940062653.db2.gz VBUVNOVYPGFBPP-JKSUJKDBSA-N 1 1 371.416 1.707 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CCOCC3)n[nH]2)O1 ZINC001130754250 940064868 /nfs/dbraw/zinc/06/48/68/940064868.db2.gz AMWOERPEPBMNAZ-LSDHHAIUSA-N 1 1 363.462 1.233 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CCOC3)n[nH]2)O1 ZINC001130761959 940068025 /nfs/dbraw/zinc/06/80/25/940068025.db2.gz JSBSCMLHZKXBAX-SOUVJXGZSA-N 1 1 363.462 1.233 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnc(C)s3)n[nH]2)O1 ZINC001130762017 940069199 /nfs/dbraw/zinc/06/91/99/940069199.db2.gz MAVKJPSSSRMBDQ-NWDGAFQWSA-N 1 1 362.459 1.495 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCc3ccco3)n[nH]2)O1 ZINC001130756414 940078633 /nfs/dbraw/zinc/07/86/33/940078633.db2.gz FYKVXZMLRXVSIN-LSDHHAIUSA-N 1 1 359.430 1.642 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccccc3O)n[nH]2)O1 ZINC001130758303 940084126 /nfs/dbraw/zinc/08/41/26/940084126.db2.gz XCDVVGBFKNSAIH-XJKSGUPXSA-N 1 1 369.425 1.273 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)CSC)n[nH]2)O1 ZINC001130772669 940113362 /nfs/dbraw/zinc/11/33/62/940113362.db2.gz XDWFFNRYJTYLFR-HZSPNIEDSA-N 1 1 367.519 1.806 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[C@@H](C)OC)n[nH]2)O1 ZINC001130777259 940128300 /nfs/dbraw/zinc/12/83/00/940128300.db2.gz ZCOWHTKFDFPSIC-QLFBSQMISA-N 1 1 365.478 1.622 20 30 FDEDMO C=C[C@@](C)(O)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC(=C)C)O2)n1 ZINC001130778021 940130886 /nfs/dbraw/zinc/13/08/86/940130886.db2.gz AVYDBUHHOLBQJW-PMUMKWKESA-N 1 1 363.462 1.134 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H](C)SC)n[nH]2)O1 ZINC001130781214 940136328 /nfs/dbraw/zinc/13/63/28/940136328.db2.gz UFKATZUXTQWHFJ-RWMBFGLXSA-N 1 1 353.492 1.558 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](OC)C3CC3)n[nH]2)O1 ZINC001130783295 940142971 /nfs/dbraw/zinc/14/29/71/940142971.db2.gz VUKZFEJNNDVDKL-LZWOXQAQSA-N 1 1 363.462 1.232 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(F)c[nH]3)n[nH]2)O1 ZINC001130794005 940144838 /nfs/dbraw/zinc/14/48/38/940144838.db2.gz HLEUFNOKLXYEIR-GXTWGEPZSA-N 1 1 360.393 1.035 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnco3)n[nH]2)O1 ZINC001130794129 940145514 /nfs/dbraw/zinc/14/55/14/940145514.db2.gz NEFGFZTVYPVANI-QWHCGFSZSA-N 1 1 360.418 1.499 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(C)(C)C3CCC3)n[nH]2)O1 ZINC001130794385 940146188 /nfs/dbraw/zinc/14/61/88/940146188.db2.gz UUMGXJOHRIQKBZ-LSDHHAIUSA-N 1 1 359.474 1.690 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](CCC)OCC)n[nH]2)O1 ZINC001130796087 940150346 /nfs/dbraw/zinc/15/03/46/940150346.db2.gz HTRAETCPVAFFDP-RRFJBIMHSA-N 1 1 365.478 1.622 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3C[C@H]3C(C)(C)C)n[nH]2)O1 ZINC001130792759 940172451 /nfs/dbraw/zinc/17/24/51/940172451.db2.gz XDUXKSROHMBNII-GBJTYRQASA-N 1 1 359.474 1.546 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCC)O2)n1 ZINC001130806904 940181569 /nfs/dbraw/zinc/18/15/69/940181569.db2.gz MJHSNPISRAXHAK-LJISPDSOSA-N 1 1 363.462 1.232 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC34CCC4)n[nH]2)O1 ZINC001130809469 940188060 /nfs/dbraw/zinc/18/80/60/940188060.db2.gz ZVIZDRDCFUAWOD-SOUVJXGZSA-N 1 1 359.474 1.997 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](F)CC)n[nH]2)O1 ZINC001130799507 940191934 /nfs/dbraw/zinc/19/19/34/940191934.db2.gz KHBMQEZJJDAEOL-BFHYXJOUSA-N 1 1 353.442 1.945 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)n[nH]2)O1 ZINC001130799608 940193272 /nfs/dbraw/zinc/19/32/72/940193272.db2.gz OMZCYLPOSWUNRT-CQJMVSDSSA-N 1 1 357.458 1.300 20 30 FDEDMO 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C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000964506338 1013654578 /nfs/dbraw/zinc/65/45/78/1013654578.db2.gz KXJOKMFKXYJQEL-HCXYKTFWSA-N 1 1 357.498 1.627 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000964506338 1013654585 /nfs/dbraw/zinc/65/45/85/1013654585.db2.gz KXJOKMFKXYJQEL-HCXYKTFWSA-N 1 1 357.498 1.627 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc4[nH]c(CC)nc43)[C@@H]2C1 ZINC001188642443 966488216 /nfs/dbraw/zinc/48/82/16/966488216.db2.gz GMRSHMNSKJZCNT-GOEBONIOSA-N 1 1 369.469 1.869 20 30 FDEDMO COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4onc(C)c4c3)[C@@H]2C1 ZINC001188730917 966540889 /nfs/dbraw/zinc/54/08/89/966540889.db2.gz FXKRDMOWPFTCDF-WMLDXEAASA-N 1 1 354.410 1.327 20 30 FDEDMO COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4onc(C)c4c3)[C@@H]2C1 ZINC001188730917 966540896 /nfs/dbraw/zinc/54/08/96/966540896.db2.gz FXKRDMOWPFTCDF-WMLDXEAASA-N 1 1 354.410 1.327 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]32)cc1 ZINC001188744952 966553705 /nfs/dbraw/zinc/55/37/05/966553705.db2.gz WLIWDMPUUHLTJN-PWRODBHTSA-N 1 1 370.493 1.848 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]32)cc1 ZINC001188745073 966554093 /nfs/dbraw/zinc/55/40/93/966554093.db2.gz ZAGQOMORBCTQEG-RBUKOAKNSA-N 1 1 367.493 1.977 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]32)cc1 ZINC001188745073 966554100 /nfs/dbraw/zinc/55/41/00/966554100.db2.gz ZAGQOMORBCTQEG-RBUKOAKNSA-N 1 1 367.493 1.977 20 30 FDEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4ccsc4c3)[C@@H]2C1 ZINC001188768037 966569059 /nfs/dbraw/zinc/56/90/59/966569059.db2.gz JLHLUSAFPJCIKG-XJKSGUPXSA-N 1 1 368.462 1.192 20 30 FDEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4ccsc4c3)[C@@H]2C1 ZINC001188768037 966569071 /nfs/dbraw/zinc/56/90/71/966569071.db2.gz JLHLUSAFPJCIKG-XJKSGUPXSA-N 1 1 368.462 1.192 20 30 FDEDMO 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C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N(C)CC(F)(F)F)[C@@H]2C1 ZINC001188931946 966652845 /nfs/dbraw/zinc/65/28/45/966652845.db2.gz LUVXRSBJSOGHNS-SOUVJXGZSA-N 1 1 363.424 1.604 20 30 FDEDMO C=CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)NCCCOCC)C[C@H]21 ZINC001188985285 966686097 /nfs/dbraw/zinc/68/60/97/966686097.db2.gz CNOJVYJFCZOFMZ-OKZBNKHCSA-N 1 1 365.518 1.807 20 30 FDEDMO C=CCCCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)NCCCOCC)C[C@H]21 ZINC001188985285 966686099 /nfs/dbraw/zinc/68/60/99/966686099.db2.gz CNOJVYJFCZOFMZ-OKZBNKHCSA-N 1 1 365.518 1.807 20 30 FDEDMO CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCCS(N)(=O)=O)[C@@H]2C1 ZINC001188991876 966689254 /nfs/dbraw/zinc/68/92/54/966689254.db2.gz KHQHTJQKOXDLAP-JKSUJKDBSA-N 1 1 359.536 1.558 20 30 FDEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3cc(C)cc(C)c3)[C@@H]2C1 ZINC001188999579 966693913 /nfs/dbraw/zinc/69/39/13/966693913.db2.gz TUMUCQKUGSKZGN-RBUKOAKNSA-N 1 1 355.482 1.681 20 30 FDEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cc(C)cc(C)c3)[C@@H]2C1 ZINC001188999579 966693918 /nfs/dbraw/zinc/69/39/18/966693918.db2.gz TUMUCQKUGSKZGN-RBUKOAKNSA-N 1 1 355.482 1.681 20 30 FDEDMO C=CCCCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(c4ccn(C)n4)C3=O)C[C@H]21 ZINC001189007672 966698026 /nfs/dbraw/zinc/69/80/26/966698026.db2.gz YHLXDUORVCTVME-YESZJQIVSA-N 1 1 371.485 1.414 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3cccnc3C)[C@@H]2C1 ZINC001189118148 966747509 /nfs/dbraw/zinc/74/75/09/966747509.db2.gz RDPNSYUSRLIIED-BPQIPLTHSA-N 1 1 356.470 1.156 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(C)c3CC)[C@@H]2C1 ZINC001189126113 966779373 /nfs/dbraw/zinc/77/93/73/966779373.db2.gz CKBMLPBQDAQWQV-RVKKMQEKSA-N 1 1 358.486 1.425 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(C)c3CC)[C@@H]2C1 ZINC001189126113 966779380 /nfs/dbraw/zinc/77/93/80/966779380.db2.gz CKBMLPBQDAQWQV-RVKKMQEKSA-N 1 1 358.486 1.425 20 30 FDEDMO 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C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)OC3CCCC3)[C@@H]2C1 ZINC001189276798 966893316 /nfs/dbraw/zinc/89/33/16/966893316.db2.gz JQKOQQXZNNLNAW-JQHSSLGASA-N 1 1 361.486 1.006 20 30 FDEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)COC[C@H]3CCOC3)[C@@H]2C1 ZINC001189303868 966898107 /nfs/dbraw/zinc/89/81/07/966898107.db2.gz QBJSUTICLUDZFA-FFZOFVMBSA-N 1 1 369.465 1.644 20 30 FDEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)COC[C@H]3CCOC3)[C@@H]2C1 ZINC001189303868 966898112 /nfs/dbraw/zinc/89/81/12/966898112.db2.gz QBJSUTICLUDZFA-FFZOFVMBSA-N 1 1 369.465 1.644 20 30 FDEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)c3cccnc3)[C@@H]2C1 ZINC001189311571 966903826 /nfs/dbraw/zinc/90/38/26/966903826.db2.gz MFFUNDSHMONWIE-BPQIPLTHSA-N 1 1 356.470 1.410 20 30 FDEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)c3cccnc3)[C@@H]2C1 ZINC001189311571 966903829 /nfs/dbraw/zinc/90/38/29/966903829.db2.gz MFFUNDSHMONWIE-BPQIPLTHSA-N 1 1 356.470 1.410 20 30 FDEDMO COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3noc4ccc(F)cc34)[C@@H]2C1 ZINC001189391074 966936088 /nfs/dbraw/zinc/93/60/88/966936088.db2.gz QJUAWABACSMEJH-KBXCAEBGSA-N 1 1 371.412 1.692 20 30 FDEDMO C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCCC)C[C@H]32)cc1 ZINC001189359703 966944794 /nfs/dbraw/zinc/94/47/94/966944794.db2.gz XWUGFAYJLLRLAM-PKOBYXMFSA-N 1 1 369.465 1.371 20 30 FDEDMO C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCCC)C[C@H]32)cc1 ZINC001189359703 966944800 /nfs/dbraw/zinc/94/48/00/966944800.db2.gz XWUGFAYJLLRLAM-PKOBYXMFSA-N 1 1 369.465 1.371 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cncc(Cl)c3)[C@@H]2C1 ZINC001189419083 966965549 /nfs/dbraw/zinc/96/55/49/966965549.db2.gz LZQFCQAUPUQZNE-DVOMOZLQSA-N 1 1 360.845 1.019 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cncc(Cl)c3)[C@@H]2C1 ZINC001189419083 966965554 /nfs/dbraw/zinc/96/55/54/966965554.db2.gz LZQFCQAUPUQZNE-DVOMOZLQSA-N 1 1 360.845 1.019 20 30 FDEDMO CCN(CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001189470435 966982259 /nfs/dbraw/zinc/98/22/59/966982259.db2.gz IAFQVTFBOUIYHH-AZUAARDMSA-N 1 1 370.497 1.963 20 30 FDEDMO CCN(CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001189470435 966982267 /nfs/dbraw/zinc/98/22/67/966982267.db2.gz IAFQVTFBOUIYHH-AZUAARDMSA-N 1 1 370.497 1.963 20 30 FDEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)c3ccccc3F)[C@@H]2C1 ZINC001189444501 966992712 /nfs/dbraw/zinc/99/27/12/966992712.db2.gz DCKVZGCODUWZAP-RLFYNMQTSA-N 1 1 357.429 1.211 20 30 FDEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)c3ccccc3F)[C@@H]2C1 ZINC001189444501 966992719 /nfs/dbraw/zinc/99/27/19/966992719.db2.gz DCKVZGCODUWZAP-RLFYNMQTSA-N 1 1 357.429 1.211 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC000964534751 1013694505 /nfs/dbraw/zinc/69/45/05/1013694505.db2.gz UVAYOJKNHDALFL-ZACQAIPSSA-N 1 1 360.458 1.280 20 30 FDEDMO N#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4ccncc43)[C@@H]2C1 ZINC001189604813 967072304 /nfs/dbraw/zinc/07/23/04/967072304.db2.gz FOUNMAOPWLMCLL-MAUKXSAKSA-N 1 1 363.421 1.021 20 30 FDEDMO N#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc4ccncc43)[C@@H]2C1 ZINC001189604813 967072317 /nfs/dbraw/zinc/07/23/17/967072317.db2.gz FOUNMAOPWLMCLL-MAUKXSAKSA-N 1 1 363.421 1.021 20 30 FDEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)CCC)[C@@H]2C1 ZINC001189576157 967080967 /nfs/dbraw/zinc/08/09/67/967080967.db2.gz DDXFLRWFOUGILS-HRCADAONSA-N 1 1 364.490 1.357 20 30 FDEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)CCC)[C@@H]2C1 ZINC001189576157 967080978 /nfs/dbraw/zinc/08/09/78/967080978.db2.gz DDXFLRWFOUGILS-HRCADAONSA-N 1 1 364.490 1.357 20 30 FDEDMO COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc(OC4CCC4)c3)[C@@H]2C1 ZINC001189584782 967088765 /nfs/dbraw/zinc/08/87/65/967088765.db2.gz UGEIQWDVPIVJRX-PKOBYXMFSA-N 1 1 369.465 1.809 20 30 FDEDMO COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccnc(OC4CCC4)c3)[C@@H]2C1 ZINC001189584782 967088777 /nfs/dbraw/zinc/08/87/77/967088777.db2.gz UGEIQWDVPIVJRX-PKOBYXMFSA-N 1 1 369.465 1.809 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]ccc1C1CC1)C2 ZINC001110644669 967115317 /nfs/dbraw/zinc/11/53/17/967115317.db2.gz XGVXZDGTTFDOTC-WNOSKKOXSA-N 1 1 354.454 1.365 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]ccc1C1CC1)C2 ZINC001110644669 967115321 /nfs/dbraw/zinc/11/53/21/967115321.db2.gz XGVXZDGTTFDOTC-WNOSKKOXSA-N 1 1 354.454 1.365 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3csc(COC)n3)[C@@H]2C1 ZINC001189682777 967152977 /nfs/dbraw/zinc/15/29/77/967152977.db2.gz FJGLQMZFJFURQW-GOEBONIOSA-N 1 1 365.499 1.567 20 30 FDEDMO C#C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@@H]1CCCO1 ZINC000852259739 967163440 /nfs/dbraw/zinc/16/34/40/967163440.db2.gz KOHGAGHJRKDWNP-UFYCRDLUSA-N 1 1 370.497 1.283 20 30 FDEDMO C#C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@@H]1CCCO1 ZINC000852259739 967163452 /nfs/dbraw/zinc/16/34/52/967163452.db2.gz KOHGAGHJRKDWNP-UFYCRDLUSA-N 1 1 370.497 1.283 20 30 FDEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)CCCCC(N)=O)[C@@H]2C1 ZINC001189692491 967186056 /nfs/dbraw/zinc/18/60/56/967186056.db2.gz QPWRSHIQBYHXCU-ZWKOTPCHSA-N 1 1 354.454 1.637 20 30 FDEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)CCCCC(N)=O)[C@@H]2C1 ZINC001189692491 967186062 /nfs/dbraw/zinc/18/60/62/967186062.db2.gz QPWRSHIQBYHXCU-ZWKOTPCHSA-N 1 1 354.454 1.637 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c([nH]3)CCC4)[C@@H]2C1 ZINC001189771657 967255549 /nfs/dbraw/zinc/25/55/49/967255549.db2.gz QJXDCMXBMFZSPO-QIIPPGSGSA-N 1 1 356.470 1.340 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c([nH]3)CCC4)[C@@H]2C1 ZINC001189771657 967255561 /nfs/dbraw/zinc/25/55/61/967255561.db2.gz QJXDCMXBMFZSPO-QIIPPGSGSA-N 1 1 356.470 1.340 20 30 FDEDMO C[NH+](C)CCOCC(=O)N1CC[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]21 ZINC001189793887 967270460 /nfs/dbraw/zinc/27/04/60/967270460.db2.gz JOQAOXQIZOQCPT-RBUKOAKNSA-N 1 1 356.470 1.169 20 30 FDEDMO COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc4ccccc4n3)[C@@H]2C1 ZINC001189829154 967288593 /nfs/dbraw/zinc/28/85/93/967288593.db2.gz KSQBOGOJKNMPLS-PKOBYXMFSA-N 1 1 352.438 1.219 20 30 FDEDMO CCNC(=O)CCCC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001189836128 967296415 /nfs/dbraw/zinc/29/64/15/967296415.db2.gz RCVUWTKQYVVJTD-RBUKOAKNSA-N 1 1 368.481 1.897 20 30 FDEDMO CCNC(=O)CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001189836128 967296423 /nfs/dbraw/zinc/29/64/23/967296423.db2.gz RCVUWTKQYVVJTD-RBUKOAKNSA-N 1 1 368.481 1.897 20 30 FDEDMO COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)COc3cc(F)ccc3F)[C@@H]2C1 ZINC001189879357 967330667 /nfs/dbraw/zinc/33/06/67/967330667.db2.gz BJHPRXWXTBZZGO-WMLDXEAASA-N 1 1 364.392 1.526 20 30 FDEDMO N#CCCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852475044 967359103 /nfs/dbraw/zinc/35/91/03/967359103.db2.gz XTDREWGSWBKYKE-ZIAGYGMSSA-N 1 1 374.407 1.672 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(Cl)cc3)[C@@H]2C1 ZINC001189906427 967364636 /nfs/dbraw/zinc/36/46/36/967364636.db2.gz GTQXWMKYWKIQTH-UKPHBRMFSA-N 1 1 359.857 1.624 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(Cl)cc3)[C@@H]2C1 ZINC001189906427 967364649 /nfs/dbraw/zinc/36/46/49/967364649.db2.gz GTQXWMKYWKIQTH-UKPHBRMFSA-N 1 1 359.857 1.624 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3)[C@@H]2C1 ZINC001189930755 967379972 /nfs/dbraw/zinc/37/99/72/967379972.db2.gz BUSNKZWVNOZPIX-HHXXYDBFSA-N 1 1 371.481 1.461 20 30 FDEDMO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC[C@@H]2CCOC2)CCOCC1 ZINC001110651349 967419868 /nfs/dbraw/zinc/41/98/68/967419868.db2.gz ZYQQGYMOQPDHKT-MKXGPGLRSA-N 1 1 360.498 1.955 20 30 FDEDMO CCCCCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001189936322 967436174 /nfs/dbraw/zinc/43/61/74/967436174.db2.gz CUKVBSFZKZABFB-OWCLPIDISA-N 1 1 366.506 1.853 20 30 FDEDMO CCCCCCCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001189936322 967436181 /nfs/dbraw/zinc/43/61/81/967436181.db2.gz CUKVBSFZKZABFB-OWCLPIDISA-N 1 1 366.506 1.853 20 30 FDEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@H+]([C@@H](CCCC)C(N)=O)C[C@H]21 ZINC001189941709 967442453 /nfs/dbraw/zinc/44/24/53/967442453.db2.gz BPRLYHWWBUZBOA-SLFFLAALSA-N 1 1 367.493 1.787 20 30 FDEDMO CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)[C@@H]2C1 ZINC001189986791 967479138 /nfs/dbraw/zinc/47/91/38/967479138.db2.gz QBHGRUYLVUMRKS-IPMKNSEASA-N 1 1 365.518 1.737 20 30 FDEDMO CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)[C@@H]2C1 ZINC001189986793 967479928 /nfs/dbraw/zinc/47/99/28/967479928.db2.gz QBHGRUYLVUMRKS-OTWHNJEPSA-N 1 1 365.518 1.737 20 30 FDEDMO COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3ccc(OC)cc3)[C@@H]2C1 ZINC001190059598 967523883 /nfs/dbraw/zinc/52/38/83/967523883.db2.gz WJMBAOVOJDQZOJ-AZUAARDMSA-N 1 1 356.466 1.810 20 30 FDEDMO C#CCC[N@@H+](CCOC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852751855 967578114 /nfs/dbraw/zinc/57/81/14/967578114.db2.gz IFODYDLZKOIMBC-UHFFFAOYSA-N 1 1 374.441 1.215 20 30 FDEDMO C#CCC[N@H+](CCOC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852751855 967578121 /nfs/dbraw/zinc/57/81/21/967578121.db2.gz IFODYDLZKOIMBC-UHFFFAOYSA-N 1 1 374.441 1.215 20 30 FDEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COc3cccc(F)c3)[C@@H]2C1 ZINC001190133255 967593991 /nfs/dbraw/zinc/59/39/91/967593991.db2.gz DYJDVBUWJZSSKU-WMLDXEAASA-N 1 1 361.417 1.039 20 30 FDEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COc3cccc(F)c3)[C@@H]2C1 ZINC001190133255 967593999 /nfs/dbraw/zinc/59/39/99/967593999.db2.gz DYJDVBUWJZSSKU-WMLDXEAASA-N 1 1 361.417 1.039 20 30 FDEDMO COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001190229876 967644573 /nfs/dbraw/zinc/64/45/73/967644573.db2.gz PLHKSOASCLPIQJ-OTWHNJEPSA-N 1 1 357.454 1.342 20 30 FDEDMO CC[C@H](C)C(=O)NCC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001190212774 967672877 /nfs/dbraw/zinc/67/28/77/967672877.db2.gz ISMTUOHHCCGULN-ZYSHUDEJSA-N 1 1 368.481 1.753 20 30 FDEDMO CC[C@H](C)C(=O)NCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001190212774 967672883 /nfs/dbraw/zinc/67/28/83/967672883.db2.gz ISMTUOHHCCGULN-ZYSHUDEJSA-N 1 1 368.481 1.753 20 30 FDEDMO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCn2ccnn2)C3)cc1 ZINC001110657703 967674413 /nfs/dbraw/zinc/67/44/13/967674413.db2.gz UHGWCYVAUKPPKM-QRVBRYPASA-N 1 1 364.453 1.852 20 30 FDEDMO CN1CCN(C[C@H](NC(=O)C#CC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000852873417 967680506 /nfs/dbraw/zinc/68/05/06/967680506.db2.gz VGTLUQONSBAOMS-FQEVSTJZSA-N 1 1 354.498 1.094 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(CNC(C)=O)c3)[C@@H]2C1 ZINC001190240541 967688275 /nfs/dbraw/zinc/68/82/75/967688275.db2.gz JIYHVEPDXVWXCY-VQTJNVASSA-N 1 1 371.481 1.672 20 30 FDEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)c3ccsc3)[C@@H]2C1 ZINC001190255167 967698333 /nfs/dbraw/zinc/69/83/33/967698333.db2.gz ODWZUCKDHCFFKZ-GXTWGEPZSA-N 1 1 353.875 1.763 20 30 FDEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CNC(=O)c3ccsc3)[C@@H]2C1 ZINC001190255167 967698335 /nfs/dbraw/zinc/69/83/35/967698335.db2.gz ODWZUCKDHCFFKZ-GXTWGEPZSA-N 1 1 353.875 1.763 20 30 FDEDMO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(C(C)C)C1=O ZINC001110425346 967724771 /nfs/dbraw/zinc/72/47/71/967724771.db2.gz OHMVCVWKGVXSIR-BDXSIMOUSA-N 1 1 363.502 1.700 20 30 FDEDMO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(C(C)C)C1=O ZINC001110425346 967724774 /nfs/dbraw/zinc/72/47/74/967724774.db2.gz OHMVCVWKGVXSIR-BDXSIMOUSA-N 1 1 363.502 1.700 20 30 FDEDMO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC[C@@H]1CCCO1 ZINC001110424953 967743706 /nfs/dbraw/zinc/74/37/06/967743706.db2.gz BAVFYPPQHZRMQR-HCXYKTFWSA-N 1 1 366.502 1.886 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCc3ccc(C)o3)[C@@H]2C1 ZINC001190324253 967752026 /nfs/dbraw/zinc/75/20/26/967752026.db2.gz JKKPWMISYUCUHW-SOLBZPMBSA-N 1 1 359.470 1.744 20 30 FDEDMO CCN(CC)c1ccc(C(=O)N2CC[C@H]3C[N@H+](CC#CCOC)C[C@H]32)cn1 ZINC001190467243 967894839 /nfs/dbraw/zinc/89/48/39/967894839.db2.gz QGOXVUXDWQRDDL-RBUKOAKNSA-N 1 1 370.497 1.724 20 30 FDEDMO CCN(CC)c1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC#CCOC)C[C@H]32)cn1 ZINC001190467243 967894853 /nfs/dbraw/zinc/89/48/53/967894853.db2.gz QGOXVUXDWQRDDL-RBUKOAKNSA-N 1 1 370.497 1.724 20 30 FDEDMO C#CCCN(CCOC)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000853245076 967941108 /nfs/dbraw/zinc/94/11/08/967941108.db2.gz RGFJLXCIHBMECK-UHFFFAOYSA-N 1 1 359.470 1.700 20 30 FDEDMO COCc1csc(C=NNC(=S)NCCC[NH+]2CCOCC2)c1 ZINC000853267841 967951427 /nfs/dbraw/zinc/95/14/27/967951427.db2.gz DZZWJFXUAATOSW-UHFFFAOYSA-N 1 1 356.517 1.415 20 30 FDEDMO N#Cc1ccc(C(=O)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001190589961 967971367 /nfs/dbraw/zinc/97/13/67/967971367.db2.gz NHUVPVBSHDPCFV-MSOLQXFVSA-N 1 1 363.421 1.464 20 30 FDEDMO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]cnc1C(F)(F)F)C2 ZINC001110668145 967993077 /nfs/dbraw/zinc/99/30/77/967993077.db2.gz YXPZDRAUYOAXGA-UTUOFQBUSA-N 1 1 358.364 1.966 20 30 FDEDMO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)OCC(=O)N3)C2 ZINC001110668032 967993171 /nfs/dbraw/zinc/99/31/71/967993171.db2.gz UCHCWDWBWRQFPB-OIISXLGYSA-N 1 1 371.437 1.555 20 30 FDEDMO C=CC[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(CCC(=O)OCC)C2=O)C1 ZINC000853537114 968092259 /nfs/dbraw/zinc/09/22/59/968092259.db2.gz PGJANRQTSGJWND-KBXCAEBGSA-N 1 1 351.447 1.886 20 30 FDEDMO C=CCN1CCN(C[N@H+]2C[C@@H]3COC[C@]3(C(=O)OC(C)(C)C)C2)C1=O ZINC000853550500 968106123 /nfs/dbraw/zinc/10/61/23/968106123.db2.gz IKFOJUCFKXOLDC-RDTXWAMCSA-N 1 1 351.447 1.158 20 30 FDEDMO C=CCN1CCN(C[N@@H+]2C[C@@H]3COC[C@]3(C(=O)OC(C)(C)C)C2)C1=O ZINC000853550500 968106124 /nfs/dbraw/zinc/10/61/24/968106124.db2.gz IKFOJUCFKXOLDC-RDTXWAMCSA-N 1 1 351.447 1.158 20 30 FDEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001190888200 968160326 /nfs/dbraw/zinc/16/03/26/968160326.db2.gz AYMHYINJCXJNFP-AQNXPRMDSA-N 1 1 367.493 1.852 20 30 FDEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001190888200 968160336 /nfs/dbraw/zinc/16/03/36/968160336.db2.gz AYMHYINJCXJNFP-AQNXPRMDSA-N 1 1 367.493 1.852 20 30 FDEDMO N#CCSCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)C[C@H]1O ZINC001191161870 968307325 /nfs/dbraw/zinc/30/73/25/968307325.db2.gz MFHLGTIXGHHMLD-ZIAGYGMSSA-N 1 1 355.410 1.542 20 30 FDEDMO N#CCSCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(F)F)cc2)C[C@H]1O ZINC001191161870 968307337 /nfs/dbraw/zinc/30/73/37/968307337.db2.gz MFHLGTIXGHHMLD-ZIAGYGMSSA-N 1 1 355.410 1.542 20 30 FDEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001191402060 968470917 /nfs/dbraw/zinc/47/09/17/968470917.db2.gz YYPJOMGFCQMPFB-RLRQVVRFSA-N 1 1 363.502 1.317 20 30 FDEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001191402060 968470924 /nfs/dbraw/zinc/47/09/24/968470924.db2.gz YYPJOMGFCQMPFB-RLRQVVRFSA-N 1 1 363.502 1.317 20 30 FDEDMO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000854057069 968563423 /nfs/dbraw/zinc/56/34/23/968563423.db2.gz CPTJLQDEXRLPIN-AZUAARDMSA-N 1 1 355.482 1.862 20 30 FDEDMO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C/C=C\c1cccc(F)c1)C2 ZINC001110681211 968727322 /nfs/dbraw/zinc/72/73/22/968727322.db2.gz DTZBEOQJJBPSOA-XVZJECBJSA-N 1 1 369.440 1.700 20 30 FDEDMO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C/C=C\c1cccc(F)c1)C2 ZINC001110681211 968727330 /nfs/dbraw/zinc/72/73/30/968727330.db2.gz DTZBEOQJJBPSOA-XVZJECBJSA-N 1 1 369.440 1.700 20 30 FDEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+](CCOc2ccc3ccccc3c2)C[C@H]1O ZINC001191777336 968742039 /nfs/dbraw/zinc/74/20/39/968742039.db2.gz IFXVBJXMAYXQTG-WOJBJXKFSA-N 1 1 370.449 1.583 20 30 FDEDMO 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366.465 1.727 20 30 FDEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)C[C@H]1O ZINC001192548182 969158936 /nfs/dbraw/zinc/15/89/36/969158936.db2.gz ZDAKBTULJVTVCN-JFIYKMOQSA-N 1 1 368.861 1.207 20 30 FDEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)C[C@H]1O ZINC001192548182 969158939 /nfs/dbraw/zinc/15/89/39/969158939.db2.gz ZDAKBTULJVTVCN-JFIYKMOQSA-N 1 1 368.861 1.207 20 30 FDEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)C[C@H]1O ZINC001192540731 969181274 /nfs/dbraw/zinc/18/12/74/969181274.db2.gz SKJBZRHMZWBZHR-NUJGCVRESA-N 1 1 368.861 1.207 20 30 FDEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(Cl)c2)C[C@H]1O ZINC001192540731 969181279 /nfs/dbraw/zinc/18/12/79/969181279.db2.gz SKJBZRHMZWBZHR-NUJGCVRESA-N 1 1 368.861 1.207 20 30 FDEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)C[C@H]1O ZINC001192540729 969181474 /nfs/dbraw/zinc/18/14/74/969181474.db2.gz SKJBZRHMZWBZHR-JFIYKMOQSA-N 1 1 368.861 1.207 20 30 FDEDMO 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/nfs/dbraw/zinc/43/79/27/546437927.db2.gz YTEMVSLXUCTTNZ-APWZRJJASA-N 1 1 363.465 2.392 20 30 FDEDMO N#Cc1csc(C[NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)n1 ZINC000563573987 546594060 /nfs/dbraw/zinc/59/40/60/546594060.db2.gz LWMOYMSTWUXNAL-ZDUSSCGKSA-N 1 1 358.423 1.429 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000563604354 546609546 /nfs/dbraw/zinc/60/95/46/546609546.db2.gz XJWTUAXDEBXKIN-QRVBRYPASA-N 1 1 359.470 1.438 20 30 FDEDMO N#Cc1ccc(S(=O)(=O)CC[N@@H+](CCO)CC2CCCCC2)nc1 ZINC000564143697 546821533 /nfs/dbraw/zinc/82/15/33/546821533.db2.gz JIEQHYSSXQEBDR-UHFFFAOYSA-N 1 1 351.472 1.602 20 30 FDEDMO N#Cc1ccc(S(=O)(=O)CC[N@H+](CCO)CC2CCCCC2)nc1 ZINC000564143697 546821539 /nfs/dbraw/zinc/82/15/39/546821539.db2.gz JIEQHYSSXQEBDR-UHFFFAOYSA-N 1 1 351.472 1.602 20 30 FDEDMO N#CCCN(C(=O)C[N@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1)c1ccccc1 ZINC000564288967 546868585 /nfs/dbraw/zinc/86/85/85/546868585.db2.gz AVYALLGTRRPIMN-QRQLOZEOSA-N 1 1 357.454 1.795 20 30 FDEDMO CCOC(=O)COCC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000564383910 546897947 /nfs/dbraw/zinc/89/79/47/546897947.db2.gz AQOUGBGXXKXUHF-UHFFFAOYSA-N 1 1 368.437 1.808 20 30 FDEDMO CCc1ccc([C@H](CO)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000564682466 547000569 /nfs/dbraw/zinc/00/05/69/547000569.db2.gz GTPONDIMJLQFRO-KRWDZBQOSA-N 1 1 359.451 1.613 20 30 FDEDMO CN(C(=O)C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C1CCCCC1 ZINC000564793542 547040048 /nfs/dbraw/zinc/04/00/48/547040048.db2.gz JOIYKRDAYWZWEP-UHFFFAOYSA-N 1 1 364.471 1.108 20 30 FDEDMO CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc2c(C#N)cnn2c1 ZINC000564986283 547145404 /nfs/dbraw/zinc/14/54/04/547145404.db2.gz PYXNFCKHVJXQFY-GOSISDBHSA-N 1 1 355.490 1.449 20 30 FDEDMO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000565547420 547393306 /nfs/dbraw/zinc/39/33/06/547393306.db2.gz AVXGRQJTQYXQKR-INIZCTEOSA-N 1 1 369.531 1.975 20 30 FDEDMO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000565547420 547393311 /nfs/dbraw/zinc/39/33/11/547393311.db2.gz AVXGRQJTQYXQKR-INIZCTEOSA-N 1 1 369.531 1.975 20 30 FDEDMO N#CCC[C@H](NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1ccccc1 ZINC000567454486 548122960 /nfs/dbraw/zinc/12/29/60/548122960.db2.gz BWTXOQBHNMTDKS-MSOLQXFVSA-N 1 1 369.469 1.637 20 30 FDEDMO Cn1cc[nH+]c1N1CCC(NS(=O)(=O)Cc2ccc(CC#N)cc2)CC1 ZINC000568624573 548612437 /nfs/dbraw/zinc/61/24/37/548612437.db2.gz PZZMZNSLFSKUMD-UHFFFAOYSA-N 1 1 373.482 1.575 20 30 FDEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C(C)C)[C@@H]3CCOC3)CC2)o1 ZINC000569539478 548953104 /nfs/dbraw/zinc/95/31/04/548953104.db2.gz ITZFBXGNJYWCAF-OAHLLOKOSA-N 1 1 361.446 1.003 20 30 FDEDMO N#Cc1ccc(O[C@@H]2CCN(C(=O)NCc3c[nH+]c4n3CCCC4)C2)nc1 ZINC000569904262 549087832 /nfs/dbraw/zinc/08/78/32/549087832.db2.gz DMRFPBCSIYVKKK-MRXNPFEDSA-N 1 1 366.425 1.849 20 30 FDEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC(=O)NCC#N)cc1 ZINC000569996312 549123597 /nfs/dbraw/zinc/12/35/97/549123597.db2.gz MGLJACNUQZGSFG-HNNXBMFYSA-N 1 1 357.458 1.500 20 30 FDEDMO N#CCc1ccc(CS(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000570206361 549196053 /nfs/dbraw/zinc/19/60/53/549196053.db2.gz JCUAQOKRVFJUBL-QGZVFWFLSA-N 1 1 351.472 1.019 20 30 FDEDMO C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000570210464 549198198 /nfs/dbraw/zinc/19/81/98/549198198.db2.gz CYEQSNXWSGMOJA-KGLIPLIRSA-N 1 1 355.442 1.661 20 30 FDEDMO CC(C)(CO)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1cccnc1 ZINC000571208420 549565912 /nfs/dbraw/zinc/56/59/12/549565912.db2.gz AYOGAKRQGYWBTF-KRWDZBQOSA-N 1 1 374.466 1.471 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCN3CCCC3=O)CC2)cc1 ZINC000571689053 549735482 /nfs/dbraw/zinc/73/54/82/549735482.db2.gz NIHRZRZLUFZZON-UHFFFAOYSA-N 1 1 369.469 1.398 20 30 FDEDMO C=CCn1c([C@@H]2CCCO2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC000572455873 549917751 /nfs/dbraw/zinc/91/77/51/549917751.db2.gz OKKUYSGXBZVBFN-ULQDDVLXSA-N 1 1 361.490 1.863 20 30 FDEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000573935732 550234755 /nfs/dbraw/zinc/23/47/55/550234755.db2.gz OAVIUYRVSJBKDA-WMZOPIPTSA-N 1 1 364.515 1.714 20 30 FDEDMO COc1cccc(OCC[NH+]2CCN(c3ccc(C#N)c(N)n3)CC2)c1 ZINC000574464536 550318725 /nfs/dbraw/zinc/31/87/25/550318725.db2.gz LTSNVIYYACWAJT-UHFFFAOYSA-N 1 1 353.426 1.745 20 30 FDEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@]23CCNC3=O)sc2c1CCC2 ZINC000574999854 550406927 /nfs/dbraw/zinc/40/69/27/550406927.db2.gz NOQAPBAJFCCEBR-SFHVURJKSA-N 1 1 358.467 1.792 20 30 FDEDMO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000575761787 550473220 /nfs/dbraw/zinc/47/32/20/550473220.db2.gz ONOUTYSSKVPWRS-ZDUSSCGKSA-N 1 1 356.405 2.441 20 30 FDEDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000575761787 550473221 /nfs/dbraw/zinc/47/32/21/550473221.db2.gz ONOUTYSSKVPWRS-ZDUSSCGKSA-N 1 1 356.405 2.441 20 30 FDEDMO COc1cc(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)ccc1C#N ZINC000576158025 550517281 /nfs/dbraw/zinc/51/72/81/550517281.db2.gz BVRIEOPJUHLBLX-KRWDZBQOSA-N 1 1 360.458 1.723 20 30 FDEDMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC1(C#N)CCC1 ZINC000576212860 550523484 /nfs/dbraw/zinc/52/34/84/550523484.db2.gz BWLXFPCLUGJCRN-MRXNPFEDSA-N 1 1 356.474 1.585 20 30 FDEDMO C=CCOc1ccccc1CN1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000577267923 550638333 /nfs/dbraw/zinc/63/83/33/550638333.db2.gz SPJZRCGHHXSMBP-OALUTQOASA-N 1 1 370.497 1.972 20 30 FDEDMO CC[C@H]1C[N@@H+](C)CCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000577699782 550684605 /nfs/dbraw/zinc/68/46/05/550684605.db2.gz ISEZSVMVIOCEKG-INIZCTEOSA-N 1 1 352.442 1.708 20 30 FDEDMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)CC1 ZINC000578833904 550805946 /nfs/dbraw/zinc/80/59/46/550805946.db2.gz XHYVDEBBCIVGOE-NRFANRHFSA-N 1 1 372.513 1.863 20 30 FDEDMO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000580184288 550952206 /nfs/dbraw/zinc/95/22/06/550952206.db2.gz PFAWAOFMBJABQD-MAUKXSAKSA-N 1 1 366.469 1.703 20 30 FDEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000580539516 550992323 /nfs/dbraw/zinc/99/23/23/550992323.db2.gz WTFTVMJLEWQECD-OAHLLOKOSA-N 1 1 368.441 1.956 20 30 FDEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)CC1 ZINC000580559512 550995289 /nfs/dbraw/zinc/99/52/89/550995289.db2.gz KHNNJHKAVNGLLU-FHWLQOOXSA-N 1 1 362.518 1.570 20 30 FDEDMO CC[C@@H](C(=O)N(CCC#N)CCN1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000580745366 551013995 /nfs/dbraw/zinc/01/39/95/551013995.db2.gz LEADRQJXJLUKLZ-FQEVSTJZSA-N 1 1 372.513 1.971 20 30 FDEDMO C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)CCOCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000580975868 551039178 /nfs/dbraw/zinc/03/91/78/551039178.db2.gz MDRVXSFNLWVELA-QKLQHJQFSA-N 1 1 361.486 1.477 20 30 FDEDMO COC[C@H](C)CS(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000582173980 551186074 /nfs/dbraw/zinc/18/60/74/551186074.db2.gz OOZGOIKHCSSTRJ-INIZCTEOSA-N 1 1 365.499 1.678 20 30 FDEDMO COC[C@H](C)CS(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000582173980 551186075 /nfs/dbraw/zinc/18/60/75/551186075.db2.gz OOZGOIKHCSSTRJ-INIZCTEOSA-N 1 1 365.499 1.678 20 30 FDEDMO COC[C@@H](C)CS(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000582173981 551186116 /nfs/dbraw/zinc/18/61/16/551186116.db2.gz OOZGOIKHCSSTRJ-MRXNPFEDSA-N 1 1 365.499 1.678 20 30 FDEDMO COC[C@@H](C)CS(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000582173981 551186117 /nfs/dbraw/zinc/18/61/17/551186117.db2.gz OOZGOIKHCSSTRJ-MRXNPFEDSA-N 1 1 365.499 1.678 20 30 FDEDMO N#Cc1cc(S(=O)(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1F ZINC000582191610 551189222 /nfs/dbraw/zinc/18/92/22/551189222.db2.gz DNDFMPNEUVZMPJ-HNNXBMFYSA-N 1 1 367.446 1.573 20 30 FDEDMO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(N4CN=NC4=O)CC3)C2=O)cc1 ZINC000582339355 551209009 /nfs/dbraw/zinc/20/90/09/551209009.db2.gz LQSKEFKPIYOQIM-KRWDZBQOSA-N 1 1 366.425 1.688 20 30 FDEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)n2)C1 ZINC000582485656 551230849 /nfs/dbraw/zinc/23/08/49/551230849.db2.gz YEZCHFKLSHGGNR-WMLDXEAASA-N 1 1 363.421 1.843 20 30 FDEDMO 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598619643 /nfs/dbraw/zinc/61/96/43/598619643.db2.gz SJUYWOSREWVOEL-QGZVFWFLSA-N 1 1 355.446 1.411 20 30 FDEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000272622790 674461923 /nfs/dbraw/zinc/46/19/23/674461923.db2.gz XMZMLFKCXTUWOR-ZDUSSCGKSA-N 1 1 362.455 1.081 20 30 FDEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H](O)COC1CCOCC1 ZINC000819745432 606704903 /nfs/dbraw/zinc/70/49/03/606704903.db2.gz CNSXAPKOVARNQA-KRWDZBQOSA-N 1 1 373.457 1.411 20 30 FDEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC000820804181 606780333 /nfs/dbraw/zinc/78/03/33/606780333.db2.gz NSRWGWKJZCWXFZ-ZDUSSCGKSA-N 1 1 361.413 1.239 20 30 FDEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC000820804181 606780334 /nfs/dbraw/zinc/78/03/34/606780334.db2.gz NSRWGWKJZCWXFZ-ZDUSSCGKSA-N 1 1 361.413 1.239 20 30 FDEDMO N#CC1(CS(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000274241089 674588373 /nfs/dbraw/zinc/58/83/73/674588373.db2.gz UBXBCXDQCPRWTI-DLBZAZTESA-N 1 1 363.483 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YRIORIPNCALNIK-DOTOQJQBSA-N 1 1 350.426 1.220 20 30 FDEDMO Cn1ncc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)c1N ZINC001075718241 816092117 /nfs/dbraw/zinc/09/21/17/816092117.db2.gz YRIORIPNCALNIK-DOTOQJQBSA-N 1 1 350.426 1.220 20 30 FDEDMO CNC(=O)C[NH+]1CCC(NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000425398663 816128235 /nfs/dbraw/zinc/12/82/35/816128235.db2.gz USSZNKGPAKCKCZ-AWEZNQCLSA-N 1 1 357.458 1.471 20 30 FDEDMO C=CCOC[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)OC ZINC000435952057 816260202 /nfs/dbraw/zinc/26/02/02/816260202.db2.gz YEMUXRZOXODZDC-ZWKOTPCHSA-N 1 1 360.454 1.902 20 30 FDEDMO C=CCOC[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)OC ZINC000435952057 816260206 /nfs/dbraw/zinc/26/02/06/816260206.db2.gz YEMUXRZOXODZDC-ZWKOTPCHSA-N 1 1 360.454 1.902 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccnc(OC)n2)C1 ZINC001028862063 816304966 /nfs/dbraw/zinc/30/49/66/816304966.db2.gz KUGQEQZQBREDIT-XIRDDKMYSA-N 1 1 360.458 1.405 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001028862800 816313519 /nfs/dbraw/zinc/31/35/19/816313519.db2.gz XKMDXSVDUUSGAT-LNLFQRSKSA-N 1 1 359.470 1.305 20 30 FDEDMO C=CC[N@H+]([C@@H](C)C(=O)NC(=O)NCC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000436396419 816477910 /nfs/dbraw/zinc/47/79/10/816477910.db2.gz XKTZBQPRAQGIQW-KBPBESRZSA-N 1 1 371.445 1.446 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)COCC(F)F)C[C@H]1C(F)(F)F ZINC001112137759 816660491 /nfs/dbraw/zinc/66/04/91/816660491.db2.gz CNLCURYSWJUEEV-RKDXNWHRSA-N 1 1 350.715 2.000 20 30 FDEDMO Cn1nc(C2CC2)nc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000516237862 816711613 /nfs/dbraw/zinc/71/16/13/816711613.db2.gz UBZULDTVXRTZOU-UHFFFAOYSA-N 1 1 364.453 1.912 20 30 FDEDMO Cn1nc(C2CC2)nc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000516237862 816711618 /nfs/dbraw/zinc/71/16/18/816711618.db2.gz UBZULDTVXRTZOU-UHFFFAOYSA-N 1 1 364.453 1.912 20 30 FDEDMO C=CCn1cc(CNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)nn1 ZINC000425635685 816748831 /nfs/dbraw/zinc/74/88/31/816748831.db2.gz QVQSUYSRHVRWTL-UHFFFAOYSA-N 1 1 370.457 1.661 20 30 FDEDMO CC[N@H+]1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)[C@@H](C)C1 ZINC000288480132 816873159 /nfs/dbraw/zinc/87/31/59/816873159.db2.gz PFTMCCKBAJCBGO-ZDUSSCGKSA-N 1 1 354.458 1.703 20 30 FDEDMO COC(=O)c1cccc(OCC[NH+]2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000516692076 816960520 /nfs/dbraw/zinc/96/05/20/816960520.db2.gz YRMQPCYHOJLPTM-UHFFFAOYSA-N 1 1 366.421 1.941 20 30 FDEDMO C=CCN(C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H](C)COC ZINC000664624976 817026242 /nfs/dbraw/zinc/02/62/42/817026242.db2.gz JHDOFYRVIVOOFL-LPHOPBHVSA-N 1 1 361.486 1.986 20 30 FDEDMO C[N@H+]1C[C@H]2CCN(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)[C@H]2C1 ZINC000894334882 817086890 /nfs/dbraw/zinc/08/68/90/817086890.db2.gz FDUYQGSZABLUNJ-CPFNUKBASA-N 1 1 369.469 1.989 20 30 FDEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@](C(N)=O)(c4ccccc4)C3)C2=O)cc1 ZINC000517086013 817209753 /nfs/dbraw/zinc/20/97/53/817209753.db2.gz DBUHBQIMBGQWGO-UGKGYDQZSA-N 1 1 374.444 1.793 20 30 FDEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000425870224 817271217 /nfs/dbraw/zinc/27/12/17/817271217.db2.gz LCECMAQSHOEOER-OLMNPRSZSA-N 1 1 354.454 1.821 20 30 FDEDMO CC[NH+]=C(NCC(C)(C)N1CCC(OC)CC1)N1CC[C@]2(CCOC2)C1 ZINC000261947076 817276576 /nfs/dbraw/zinc/27/65/76/817276576.db2.gz GGXKPPHNUIAKRR-FQEVSTJZSA-N 1 1 366.550 1.954 20 30 FDEDMO CC1=CC[N@@H+](CCNC(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000425882613 817300618 /nfs/dbraw/zinc/30/06/18/817300618.db2.gz INRNZWVFPRGSAY-MRXNPFEDSA-N 1 1 354.454 1.846 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000425889796 817310112 /nfs/dbraw/zinc/31/01/12/817310112.db2.gz GORSYWHOUHJBQH-RDJZCZTQSA-N 1 1 373.453 1.467 20 30 FDEDMO C[C@H](NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C1=CC[N@@H+](C)CC1 ZINC000425908165 817347807 /nfs/dbraw/zinc/34/78/07/817347807.db2.gz GAERVPQDCXONSQ-GJZGRUSLSA-N 1 1 354.454 1.844 20 30 FDEDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C1 ZINC000506364492 817713576 /nfs/dbraw/zinc/71/35/76/817713576.db2.gz SHDVTHXBIWGULC-INIZCTEOSA-N 1 1 353.426 1.503 20 30 FDEDMO C[C@H](CC#N)NC(=O)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000438870120 817780380 /nfs/dbraw/zinc/78/03/80/817780380.db2.gz KQDDYFHCMSIZGT-RBSFLKMASA-N 1 1 358.442 1.653 20 30 FDEDMO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001087467583 817875328 /nfs/dbraw/zinc/87/53/28/817875328.db2.gz DLZZESZNPJFIHJ-HLIPFELVSA-N 1 1 357.429 1.259 20 30 FDEDMO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001087467583 817875335 /nfs/dbraw/zinc/87/53/35/817875335.db2.gz DLZZESZNPJFIHJ-HLIPFELVSA-N 1 1 357.429 1.259 20 30 FDEDMO C=CC[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001087470813 818037004 /nfs/dbraw/zinc/03/70/04/818037004.db2.gz YHSKKFRHBZJAFW-ROUUACIJSA-N 1 1 370.457 1.232 20 30 FDEDMO C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cn2cccn2)C1 ZINC001087472584 818169738 /nfs/dbraw/zinc/16/97/38/818169738.db2.gz MIYXVELPDRWKAY-OALUTQOASA-N 1 1 352.438 1.499 20 30 FDEDMO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cn2cccn2)C1 ZINC001087472584 818169744 /nfs/dbraw/zinc/16/97/44/818169744.db2.gz MIYXVELPDRWKAY-OALUTQOASA-N 1 1 352.438 1.499 20 30 FDEDMO C#CC[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)Cc2ccon2)C1 ZINC001087477231 818441328 /nfs/dbraw/zinc/44/13/28/818441328.db2.gz CZFLRYSZEUCLKP-WMZOPIPTSA-N 1 1 371.412 1.972 20 30 FDEDMO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)Cc2ccon2)C1 ZINC001087477231 818441332 /nfs/dbraw/zinc/44/13/32/818441332.db2.gz CZFLRYSZEUCLKP-WMZOPIPTSA-N 1 1 371.412 1.972 20 30 FDEDMO C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000983670409 818507481 /nfs/dbraw/zinc/50/74/81/818507481.db2.gz KVINZDHWFQCPPW-XOKHGSTOSA-N 1 1 357.458 1.337 20 30 FDEDMO C[C@H]1[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)CC[N@H+]1C 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CECJPAXHTYJMQN-MRXNPFEDSA-N 1 1 360.502 1.982 20 30 FDEDMO CNC(=O)C[NH+]1CCC(NC(=O)N(C)[C@@H](C)Cc2ccc(C)cc2)CC1 ZINC000330871697 819646762 /nfs/dbraw/zinc/64/67/62/819646762.db2.gz CECJPAXHTYJMQN-INIZCTEOSA-N 1 1 360.502 1.982 20 30 FDEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331143998 819666631 /nfs/dbraw/zinc/66/66/31/819666631.db2.gz MXEBHJMRBCSBQH-SUMWQHHRSA-N 1 1 362.434 1.871 20 30 FDEDMO Cn1ccc(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)n1 ZINC001075782850 819726976 /nfs/dbraw/zinc/72/69/76/819726976.db2.gz VRXYEJKBELHOFX-QFBILLFUSA-N 1 1 367.428 1.706 20 30 FDEDMO Cn1ccc(CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)n1 ZINC001075782850 819726981 /nfs/dbraw/zinc/72/69/81/819726981.db2.gz VRXYEJKBELHOFX-QFBILLFUSA-N 1 1 367.428 1.706 20 30 FDEDMO C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000983921936 820111878 /nfs/dbraw/zinc/11/18/78/820111878.db2.gz DEWUJMWSDRQOML-INMHGKMJSA-N 1 1 371.485 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359.474 1.505 20 30 FDEDMO CC(C)CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C#N)n1 ZINC001130203293 938745129 /nfs/dbraw/zinc/74/51/29/938745129.db2.gz XNBPGUGMBVRIPL-ILXRZTDVSA-N 1 1 362.478 1.479 20 30 FDEDMO CC(C)CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)C#N)n[nH]1 ZINC001130203293 938745130 /nfs/dbraw/zinc/74/51/30/938745130.db2.gz XNBPGUGMBVRIPL-ILXRZTDVSA-N 1 1 362.478 1.479 20 30 FDEDMO C#CCCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n[nH]1 ZINC001130205016 938745694 /nfs/dbraw/zinc/74/56/94/938745694.db2.gz PUEGOYVLNCARLM-HOTGVXAUSA-N 1 1 361.490 1.733 20 30 FDEDMO C#CCCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n1 ZINC001130205016 938745696 /nfs/dbraw/zinc/74/56/96/938745696.db2.gz PUEGOYVLNCARLM-HOTGVXAUSA-N 1 1 361.490 1.733 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](OCC)C(C)C)n1 ZINC001130207815 938747010 /nfs/dbraw/zinc/74/70/10/938747010.db2.gz QZJYMQQWYSWHBS-DZKIICNBSA-N 1 1 365.478 1.130 20 30 FDEDMO 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ZINC001130247093 938771988 /nfs/dbraw/zinc/77/19/88/938771988.db2.gz UONOJUJJPAJQIE-KKUMJFAQSA-N 1 1 365.478 1.132 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H](C)COC)n[nH]1 ZINC001130247093 938771990 /nfs/dbraw/zinc/77/19/90/938771990.db2.gz UONOJUJJPAJQIE-KKUMJFAQSA-N 1 1 365.478 1.132 20 30 FDEDMO CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC#Cc2ccccc2)n1 ZINC001130251320 938774472 /nfs/dbraw/zinc/77/44/72/938774472.db2.gz NHXWMOQJUQPKDP-IRXDYDNUSA-N 1 1 367.453 1.345 20 30 FDEDMO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC#Cc2ccccc2)n[nH]1 ZINC001130251320 938774473 /nfs/dbraw/zinc/77/44/73/938774473.db2.gz NHXWMOQJUQPKDP-IRXDYDNUSA-N 1 1 367.453 1.345 20 30 FDEDMO C=CC[C@@H](NC(=O)C(=O)NCCCCn1cc[nH+]c1C)c1ccncc1 ZINC000805812519 938831133 /nfs/dbraw/zinc/83/11/33/938831133.db2.gz XXKOMKHUFQBDJK-QGZVFWFLSA-N 1 1 355.442 1.917 20 30 FDEDMO C=CC[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)c1ccncc1 ZINC000805815577 938831823 /nfs/dbraw/zinc/83/18/23/938831823.db2.gz 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FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130704170 939984720 /nfs/dbraw/zinc/98/47/20/939984720.db2.gz HQRVYSGTCJLUOK-PKOBYXMFSA-N 1 1 359.518 1.612 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CCCO3)n[nH]2)O1 ZINC001130753205 940062473 /nfs/dbraw/zinc/06/24/73/940062473.db2.gz WZHZAQJLXNFACV-RRFJBIMHSA-N 1 1 363.462 1.376 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CSCCC)n[nH]2)O1 ZINC001130762394 940071186 /nfs/dbraw/zinc/07/11/86/940071186.db2.gz UKWFAXGQVNMQOT-UONOGXRCSA-N 1 1 365.503 1.397 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)no3)n[nH]2)O1 ZINC001130756400 940078584 /nfs/dbraw/zinc/07/85/84/940078584.db2.gz FGDYEFHYQAWLNN-QWHCGFSZSA-N 1 1 360.418 1.417 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COCC)n[nH]2)O1 ZINC001130757624 940082018 /nfs/dbraw/zinc/08/20/18/940082018.db2.gz CQOQLKIWSLPATQ-UONOGXRCSA-N 1 1 351.451 1.233 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCSCC)n[nH]2)O1 ZINC001130759624 940086329 /nfs/dbraw/zinc/08/63/29/940086329.db2.gz BUPKIRWQZRJVHV-QWHCGFSZSA-N 1 1 353.492 1.560 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H](C)C(C)C)n[nH]2)O1 ZINC001130765012 940094209 /nfs/dbraw/zinc/09/42/09/940094209.db2.gz CZMQBPNPZQKVTO-OWCLPIDISA-N 1 1 361.490 1.936 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC(F)(F)F)n[nH]2)O1 ZINC001130765437 940096100 /nfs/dbraw/zinc/09/61/00/940096100.db2.gz SKKHFZYRCIZYRV-WDEREUQCSA-N 1 1 359.352 1.206 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cn[nH]c3)n[nH]2)O1 ZINC001130767575 940101422 /nfs/dbraw/zinc/10/14/22/940101422.db2.gz MPKVSWFWAVKWNS-UONOGXRCSA-N 1 1 359.434 1.234 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)SC)n[nH]2)O1 ZINC001130767979 940102824 /nfs/dbraw/zinc/10/28/24/940102824.db2.gz XGJPITQOMOGDPG-FRRDWIJNSA-N 1 1 353.492 1.558 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCC(F)(F)F)n[nH]2)O1 ZINC001130772176 940111221 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ZRNVWMHFBPLZCY-LSDHHAIUSA-N 1 1 365.478 1.623 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COC(C)(C)C)n[nH]2)O1 ZINC001130777241 940128563 /nfs/dbraw/zinc/12/85/63/940128563.db2.gz YISNUSJRQVLBLL-QWHCGFSZSA-N 1 1 351.451 1.232 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ncc(C)cc3C)n[nH]2)O1 ZINC001130794008 940145013 /nfs/dbraw/zinc/14/50/13/940145013.db2.gz HOUMXLTYSZQNPF-LSDHHAIUSA-N 1 1 370.457 1.742 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CCCC3(C)C)n[nH]2)O1 ZINC001130796576 940152558 /nfs/dbraw/zinc/15/25/58/940152558.db2.gz YNDYQXKTDRKILY-RRFJBIMHSA-N 1 1 359.474 1.690 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3C[C@H]3C3CC3)n[nH]2)O1 ZINC001130792698 940171423 /nfs/dbraw/zinc/17/14/23/940171423.db2.gz SGHUBUQIYZVWPK-YHUYYLMFSA-N 1 1 359.474 1.853 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3occc3CC)n[nH]2)O1 ZINC001130804230 940174831 /nfs/dbraw/zinc/17/48/31/940174831.db2.gz AOUPWCYFAVKPPX-LSDHHAIUSA-N 1 1 371.441 1.723 20 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/nfs/dbraw/zinc/74/83/98/524748398.db2.gz YJXXMFYUKQQEPJ-HXUWFJFHSA-N 1 1 371.529 1.877 20 30 FDEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)Cc2cccc(N(C)C)c2)CC1 ZINC000091629074 524748400 /nfs/dbraw/zinc/74/84/00/524748400.db2.gz YJXXMFYUKQQEPJ-HXUWFJFHSA-N 1 1 371.529 1.877 20 30 FDEDMO C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C(N)=O)O1 ZINC000092005786 524828618 /nfs/dbraw/zinc/82/86/18/524828618.db2.gz BEVKAPSSXIBDDO-RHSMWYFYSA-N 1 1 353.426 1.538 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C(N)=O)O1 ZINC000092005786 524828629 /nfs/dbraw/zinc/82/86/29/524828629.db2.gz BEVKAPSSXIBDDO-RHSMWYFYSA-N 1 1 353.426 1.538 20 30 FDEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](CCO)Cc2ccccc2)CC1 ZINC000092618512 524901970 /nfs/dbraw/zinc/90/19/70/524901970.db2.gz DZRGGWHFYQYZQC-LJQANCHMSA-N 1 1 358.486 1.173 20 30 FDEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](CCO)Cc2ccccc2)CC1 ZINC000092618512 524901978 /nfs/dbraw/zinc/90/19/78/524901978.db2.gz DZRGGWHFYQYZQC-LJQANCHMSA-N 1 1 358.486 1.173 20 30 FDEDMO CCN(CCC#N)C(=O)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000124103611 524902248 /nfs/dbraw/zinc/90/22/48/524902248.db2.gz KFXPHLCGSQQOCW-HNNXBMFYSA-N 1 1 358.442 1.780 20 30 FDEDMO CN(CCC#N)C(=O)CC[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000092799424 524917077 /nfs/dbraw/zinc/91/70/77/524917077.db2.gz VGFSBKKBAQYRQM-UHFFFAOYSA-N 1 1 374.460 1.665 20 30 FDEDMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3cc(C#N)c[nH]3)cc2)CC1 ZINC000175325944 524946023 /nfs/dbraw/zinc/94/60/23/524946023.db2.gz YUEFFYUGUMSEMP-UHFFFAOYSA-N 1 1 351.454 1.954 20 30 FDEDMO C[C@@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000152667645 524964136 /nfs/dbraw/zinc/96/41/36/524964136.db2.gz JQGCBPLSYBKLMV-VQIMIIECSA-N 1 1 371.485 1.499 20 30 FDEDMO C[C@@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000152667645 524964142 /nfs/dbraw/zinc/96/41/42/524964142.db2.gz JQGCBPLSYBKLMV-VQIMIIECSA-N 1 1 371.485 1.499 20 30 FDEDMO N#Cc1ccc([C@H](C(N)=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000115532096 525011015 /nfs/dbraw/zinc/01/10/15/525011015.db2.gz CHEBILRLNDWWBS-HXUWFJFHSA-N 1 1 364.449 1.781 20 30 FDEDMO CC(=O)Nc1cccc(OCC[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115599525 525033057 /nfs/dbraw/zinc/03/30/57/525033057.db2.gz GLIUUXZDFPGAGC-SFHVURJKSA-N 1 1 352.394 1.712 20 30 FDEDMO C=CCOc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000152883009 525038091 /nfs/dbraw/zinc/03/80/91/525038091.db2.gz RYGFTUQJFYKXNP-SFHVURJKSA-N 1 1 357.454 1.630 20 30 FDEDMO CN(C)c1nc(N2CCN(C(=O)CNc3cccc(C#N)c3)CC2)cc[nH+]1 ZINC000161657128 525145776 /nfs/dbraw/zinc/14/57/76/525145776.db2.gz JMCGGXLZRSAJLC-UHFFFAOYSA-N 1 1 365.441 1.175 20 30 FDEDMO C[N@H+](CCC#N)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000177181319 525252432 /nfs/dbraw/zinc/25/24/32/525252432.db2.gz CSPUSASQCAIKFU-UHFFFAOYSA-N 1 1 364.471 1.645 20 30 FDEDMO C[N@@H+](CCC#N)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000177181319 525252437 /nfs/dbraw/zinc/25/24/37/525252437.db2.gz CSPUSASQCAIKFU-UHFFFAOYSA-N 1 1 364.471 1.645 20 30 FDEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000177179952 525252484 /nfs/dbraw/zinc/25/24/84/525252484.db2.gz ABVGIKYNSFQIMX-HIFRSBDPSA-N 1 1 363.483 1.506 20 30 FDEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000177179995 525253241 /nfs/dbraw/zinc/25/32/41/525253241.db2.gz ABVGIKYNSFQIMX-DZGCQCFKSA-N 1 1 363.483 1.506 20 30 FDEDMO CC[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000163190178 525373819 /nfs/dbraw/zinc/37/38/19/525373819.db2.gz GGCBAJZWTADONJ-UHFFFAOYSA-N 1 1 358.442 1.838 20 30 FDEDMO CC[C@@H](C)NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000178187842 525393227 /nfs/dbraw/zinc/39/32/27/525393227.db2.gz CKSSLRRUWLMWKW-KGLIPLIRSA-N 1 1 362.474 1.588 20 30 FDEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@@H](O)COC2CCOCC2)CC1 ZINC000127256733 525402950 /nfs/dbraw/zinc/40/29/50/525402950.db2.gz ROAJXSHCPLSDGC-QUCCMNQESA-N 1 1 359.470 1.425 20 30 FDEDMO COc1cc[nH+]c(N2CCN(CC(=O)N(C)C3(C#N)CCCCC3)CC2)c1 ZINC000104719663 525425675 /nfs/dbraw/zinc/42/56/75/525425675.db2.gz NPCVRGXCCXRYIK-UHFFFAOYSA-N 1 1 371.485 1.897 20 30 FDEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000127655505 525446513 /nfs/dbraw/zinc/44/65/13/525446513.db2.gz UNQVUCCIAROWDA-ZBFHGGJFSA-N 1 1 363.483 1.153 20 30 FDEDMO C[C@H](CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[N@@H+](C)C1CC1 ZINC000105237162 525480360 /nfs/dbraw/zinc/48/03/60/525480360.db2.gz ZYWXQGBUHZZRDJ-CQSZACIVSA-N 1 1 356.474 1.704 20 30 FDEDMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)C[N@@H+]1Cc1ccccc1 ZINC000128086493 525500490 /nfs/dbraw/zinc/50/04/90/525500490.db2.gz OKHOPIKZLPQJFY-WMLDXEAASA-N 1 1 356.451 1.895 20 30 FDEDMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)C[N@H+]1Cc1ccccc1 ZINC000128086493 525500500 /nfs/dbraw/zinc/50/05/00/525500500.db2.gz OKHOPIKZLPQJFY-WMLDXEAASA-N 1 1 356.451 1.895 20 30 FDEDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000128489945 525548042 /nfs/dbraw/zinc/54/80/42/525548042.db2.gz WVZBSLLNMLKGSU-HNNXBMFYSA-N 1 1 360.462 1.362 20 30 FDEDMO C#CCOc1ccc(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000129309108 525640708 /nfs/dbraw/zinc/64/07/08/525640708.db2.gz KZIWNPVMVANCCV-UHFFFAOYSA-N 1 1 355.482 1.829 20 30 FDEDMO C#CCOc1ccc(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000129309108 525640716 /nfs/dbraw/zinc/64/07/16/525640716.db2.gz KZIWNPVMVANCCV-UHFFFAOYSA-N 1 1 355.482 1.829 20 30 FDEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000180544898 525720217 /nfs/dbraw/zinc/72/02/17/525720217.db2.gz FOTVMAHDFXPELY-GOSISDBHSA-N 1 1 366.465 1.620 20 30 FDEDMO Cc1[nH+]ccn1CCCCNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000130269668 525736272 /nfs/dbraw/zinc/73/62/72/525736272.db2.gz XXGOEIJYHODTGX-UHFFFAOYSA-N 1 1 355.442 1.898 20 30 FDEDMO CCC[N@H+]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 ZINC000155120668 525752797 /nfs/dbraw/zinc/75/27/97/525752797.db2.gz QFBVNSKVPVGWAW-UHFFFAOYSA-N 1 1 360.462 1.393 20 30 FDEDMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1(C#N)CCOCC1 ZINC000119603957 525801506 /nfs/dbraw/zinc/80/15/06/525801506.db2.gz WFGDDEDBPDIAQO-QGZVFWFLSA-N 1 1 356.470 1.634 20 30 FDEDMO C[C@H](C(=O)NC1CC1)N1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000155388478 525850932 /nfs/dbraw/zinc/85/09/32/525850932.db2.gz KTSZZNTZDNPGBY-MRXNPFEDSA-N 1 1 356.470 1.612 20 30 FDEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)CNC(=O)c2ccc(C#N)cc2)C1 ZINC000171112532 525853179 /nfs/dbraw/zinc/85/31/79/525853179.db2.gz NICHLZMZKAQOEW-MRXNPFEDSA-N 1 1 356.470 1.916 20 30 FDEDMO COC[C@@H](O)C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181438085 525853450 /nfs/dbraw/zinc/85/34/50/525853450.db2.gz VFWOZRSRMSBHAW-HOTGVXAUSA-N 1 1 368.275 1.639 20 30 FDEDMO N#CCCCCS(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000181480954 525860416 /nfs/dbraw/zinc/86/04/16/525860416.db2.gz ADZVYGYMISKORV-KRWDZBQOSA-N 1 1 351.472 1.366 20 30 FDEDMO CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000181700278 525897877 /nfs/dbraw/zinc/89/78/77/525897877.db2.gz MGANQUUNPMEWTC-HNNXBMFYSA-N 1 1 358.442 1.716 20 30 FDEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000181742128 525913287 /nfs/dbraw/zinc/91/32/87/525913287.db2.gz DUEMTBCLOCRTOO-AWEZNQCLSA-N 1 1 356.426 1.470 20 30 FDEDMO CCN1CCN([C@@H]2CC[N@H+](CCC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000155662223 525938059 /nfs/dbraw/zinc/93/80/59/525938059.db2.gz CAPJZHGQAXGENM-LJQANCHMSA-N 1 1 355.486 1.599 20 30 FDEDMO CCN1CCN([C@@H]2CC[N@@H+](CCC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000155662223 525938065 /nfs/dbraw/zinc/93/80/65/525938065.db2.gz CAPJZHGQAXGENM-LJQANCHMSA-N 1 1 355.486 1.599 20 30 FDEDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 ZINC000108325576 525952668 /nfs/dbraw/zinc/95/26/68/525952668.db2.gz ACNYKFPFARRURM-OAHLLOKOSA-N 1 1 363.483 1.836 20 30 FDEDMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000181920219 525981207 /nfs/dbraw/zinc/98/12/07/525981207.db2.gz PDONVJDEVGYDPS-CXAGYDPISA-N 1 1 366.487 1.300 20 30 FDEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000171537369 526028848 /nfs/dbraw/zinc/02/88/48/526028848.db2.gz RESDEYADLDKTOD-UHFFFAOYSA-N 1 1 355.416 1.532 20 30 FDEDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000171701109 526081262 /nfs/dbraw/zinc/08/12/62/526081262.db2.gz APFJZMCMNIKYKO-SFHVURJKSA-N 1 1 370.501 1.905 20 30 FDEDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H](C)C1 ZINC000182383992 526152697 /nfs/dbraw/zinc/15/26/97/526152697.db2.gz AIWHJIDQHSRGLW-HNNXBMFYSA-N 1 1 355.438 1.951 20 30 FDEDMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H](C)C1 ZINC000182383992 526152709 /nfs/dbraw/zinc/15/27/09/526152709.db2.gz AIWHJIDQHSRGLW-HNNXBMFYSA-N 1 1 355.438 1.951 20 30 FDEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)CCc1ccccc1 ZINC000182460932 526179191 /nfs/dbraw/zinc/17/91/91/526179191.db2.gz FRYXXAZFULFVEX-FUHWJXTLSA-N 1 1 351.454 1.852 20 30 FDEDMO C[C@@H](C(=O)N(CCC#N)CCN1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000134732674 526184318 /nfs/dbraw/zinc/18/43/18/526184318.db2.gz LBXAGNRKRQUBHE-SFHVURJKSA-N 1 1 370.497 1.508 20 30 FDEDMO C[C@@H](C(=O)N(CCC#N)CCN1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000134732674 526184327 /nfs/dbraw/zinc/18/43/27/526184327.db2.gz LBXAGNRKRQUBHE-SFHVURJKSA-N 1 1 370.497 1.508 20 30 FDEDMO N#Cc1c(NC(=O)CC[N@H+](CCO)CCCO)sc2c1CCCC2 ZINC000109797533 526185162 /nfs/dbraw/zinc/18/51/62/526185162.db2.gz COYHGTVROPQZLO-UHFFFAOYSA-N 1 1 351.472 1.504 20 30 FDEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[NH+](C3CC3)CC2)CC1 ZINC000182705606 535849159 /nfs/dbraw/zinc/84/91/59/535849159.db2.gz GPDGRMQYGNOBBQ-QGZVFWFLSA-N 1 1 373.526 1.237 20 30 FDEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183757527 536045677 /nfs/dbraw/zinc/04/56/77/536045677.db2.gz JHVCPODNIOAUQT-MRXNPFEDSA-N 1 1 370.519 1.075 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000185456515 536209184 /nfs/dbraw/zinc/20/91/84/536209184.db2.gz WVHNXWSDAHYUCW-KGLIPLIRSA-N 1 1 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ZINC000369216204 538004154 /nfs/dbraw/zinc/00/41/54/538004154.db2.gz SFNYMTZTGBCZIQ-ZDUSSCGKSA-N 1 1 356.517 1.781 20 30 FDEDMO C[C@H](CO)[N@H+]1CCCN(C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000372729786 538014124 /nfs/dbraw/zinc/01/41/24/538014124.db2.gz VFIPJYNSTJTTKP-OAHLLOKOSA-N 1 1 361.446 1.685 20 30 FDEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](Cc2nnc3ccccn32)C1 ZINC000372804442 538033891 /nfs/dbraw/zinc/03/38/91/538033891.db2.gz MGAHPJHLPWGSTO-JKSUJKDBSA-N 1 1 354.458 1.744 20 30 FDEDMO C[C@H]1C[C@@H](C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)CC[N@H+]1C ZINC000377982764 538054546 /nfs/dbraw/zinc/05/45/46/538054546.db2.gz AHWNVBIIHYQTRU-KZDUYQQSSA-N 1 1 352.438 1.589 20 30 FDEDMO CN(C)c1nc(N2C[C@@H](F)C[C@H]2CN(C)c2nccc(C#N)n2)cc[nH+]1 ZINC000450469101 538129667 /nfs/dbraw/zinc/12/96/67/538129667.db2.gz QHQORLWZPDDKEF-JSGCOSHPSA-N 1 1 356.409 1.257 20 30 FDEDMO N#C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CC2)C[C@@]12C(=O)Nc1ccccc12 ZINC000426979982 538152593 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374.533 1.922 20 30 FDEDMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)ncc1C#N ZINC000457673676 538506766 /nfs/dbraw/zinc/50/67/66/538506766.db2.gz CTXRBGRRBLRRKV-RTBURBONSA-N 1 1 364.449 1.875 20 30 FDEDMO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000461304580 538509107 /nfs/dbraw/zinc/50/91/07/538509107.db2.gz VVJQVMCRFYASAC-SFHVURJKSA-N 1 1 374.448 2.559 20 30 FDEDMO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000461744415 538557296 /nfs/dbraw/zinc/55/72/96/538557296.db2.gz FIBUANPXPZVOQF-UHFFFAOYSA-N 1 1 351.370 1.749 20 30 FDEDMO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000500938846 538581320 /nfs/dbraw/zinc/58/13/20/538581320.db2.gz FUDSEGDMFDVSFT-HOTGVXAUSA-N 1 1 356.474 1.650 20 30 FDEDMO C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)n1cnc(C#N)n1 ZINC000466983084 538587430 /nfs/dbraw/zinc/58/74/30/538587430.db2.gz CYVSBMJEOBLZAC-CQSZACIVSA-N 1 1 356.405 1.584 20 30 FDEDMO C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)n1cnc(C#N)n1 ZINC000466983084 538587436 /nfs/dbraw/zinc/58/74/36/538587436.db2.gz CYVSBMJEOBLZAC-CQSZACIVSA-N 1 1 356.405 1.584 20 30 FDEDMO COc1ccc(OCC[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 ZINC000472155542 538594854 /nfs/dbraw/zinc/59/48/54/538594854.db2.gz DMNGFEIYTIMWDF-UHFFFAOYSA-N 1 1 355.442 1.810 20 30 FDEDMO Cc1cc(C#N)cc(NC(=O)NCCCCN2CC[NH+](CCO)CC2)c1 ZINC000456016506 538685997 /nfs/dbraw/zinc/68/59/97/538685997.db2.gz ZRSISKGLXGOXBN-UHFFFAOYSA-N 1 1 359.474 1.378 20 30 FDEDMO C[NH+](C)CCn1ccc(=NC(=O)c2cc(-c3cccc(C#N)c3)no2)[nH]1 ZINC000469232834 538787422 /nfs/dbraw/zinc/78/74/22/538787422.db2.gz KSSZZCYFJKKDON-UHFFFAOYSA-N 1 1 350.382 2.224 20 30 FDEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000560732469 545590336 /nfs/dbraw/zinc/59/03/36/545590336.db2.gz LWCMOHJYAHZBOG-JQHSSLGASA-N 1 1 368.481 1.918 20 30 FDEDMO N#Cc1ccc(CS(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(F)c1 ZINC000480696899 538863497 /nfs/dbraw/zinc/86/34/97/538863497.db2.gz ZHUNOIPXFHIVTA-OAHLLOKOSA-N 1 1 367.446 1.181 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000481034423 538870517 /nfs/dbraw/zinc/87/05/17/538870517.db2.gz HNKCTBFKXIEEMT-IKGGRYGDSA-N 1 1 365.518 1.711 20 30 FDEDMO C[C@]1(CO)CCC[N@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000562092145 546029829 /nfs/dbraw/zinc/02/98/29/546029829.db2.gz RFPYVDFIVMDPQW-MAUKXSAKSA-N 1 1 362.499 1.304 20 30 FDEDMO C[NH+]1CCN(C(=O)CC2CCN(c3ncc4c(c3C#N)CCC4)CC2)CC1 ZINC000563019348 546358396 /nfs/dbraw/zinc/35/83/96/546358396.db2.gz XSWIEXFXEPBGKW-UHFFFAOYSA-N 1 1 367.497 1.822 20 30 FDEDMO Cn1ccnc1[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C(C)(C)CO ZINC000563537326 546578430 /nfs/dbraw/zinc/57/84/30/546578430.db2.gz SNVTVPKFWYVPDX-WMZOPIPTSA-N 1 1 372.469 1.575 20 30 FDEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000565045967 547173720 /nfs/dbraw/zinc/17/37/20/547173720.db2.gz HUFJGQFLTUMUKO-UHFFFAOYSA-N 1 1 358.398 1.537 20 30 FDEDMO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ncc1C#N ZINC000565182288 547240173 /nfs/dbraw/zinc/24/01/73/547240173.db2.gz YCUAFDXHBHACMN-QGZVFWFLSA-N 1 1 363.421 1.591 20 30 FDEDMO C[C@H]1C[NH+](CCOC2CCN(c3ccc(C#N)c(N)n3)CC2)C[C@H](C)O1 ZINC000565231171 547264199 /nfs/dbraw/zinc/26/41/99/547264199.db2.gz ZPONUKBIBWUKDQ-GJZGRUSLSA-N 1 1 359.474 1.630 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@@](C)(C#N)CN(C)C)cc2)C[C@H](C)O1 ZINC000565954292 547545599 /nfs/dbraw/zinc/54/55/99/547545599.db2.gz LLDKBOZJAXOIND-YRNRMSPPSA-N 1 1 358.486 1.869 20 30 FDEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCn2cnc(C#N)n2)C1 ZINC000566566513 547810837 /nfs/dbraw/zinc/81/08/37/547810837.db2.gz BKPMSOKSQDVQCK-ZBFHGGJFSA-N 1 1 353.430 1.284 20 30 FDEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000566783567 547884231 /nfs/dbraw/zinc/88/42/31/547884231.db2.gz KFLNEGFJMJOEHT-OAHLLOKOSA-N 1 1 350.426 2.139 20 30 FDEDMO N#Cc1cc2c(nc1NCC1([NH+]3CCOCC3)CCCCC1)CCOC2 ZINC000566954970 547941544 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350.394 1.938 20 30 FDEDMO COCC[N@H+]1CC[C@H](NC(=O)NC2CCN(c3ccccc3C#N)CC2)C1 ZINC000868284914 977444172 /nfs/dbraw/zinc/44/41/72/977444172.db2.gz YOOLWXVUHQOSFY-SFHVURJKSA-N 1 1 371.485 1.547 20 30 FDEDMO C[C@H](CNC(=O)N[C@H]1Cc2ccc(C#N)cc2C1)CN1CC[NH+](C)CC1 ZINC000868357916 977527501 /nfs/dbraw/zinc/52/75/01/977527501.db2.gz JWHSPQJBFNWDTK-BEFAXECRSA-N 1 1 355.486 1.208 20 30 FDEDMO C[C@H](NC(=O)N1CCN(c2ccc(C#N)cc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000868423828 977637838 /nfs/dbraw/zinc/63/78/38/977637838.db2.gz SJVUAHKTQCXTEU-MAUKXSAKSA-N 1 1 357.458 1.109 20 30 FDEDMO C[C@H](NC(=O)N1CCN(c2ccc(C#N)cc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000868423828 977637851 /nfs/dbraw/zinc/63/78/51/977637851.db2.gz SJVUAHKTQCXTEU-MAUKXSAKSA-N 1 1 357.458 1.109 20 30 FDEDMO CC#CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000645473675 1014415390 /nfs/dbraw/zinc/41/53/90/1014415390.db2.gz VXCCFKMIQVTUBM-RBUKOAKNSA-N 1 1 359.470 1.351 20 30 FDEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc2nc(C)cc(C(F)(F)F)n2n1 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N#Cc1ccc(O[C@H]2CC[N@H+](CCn3cnc(Br)n3)C2)nc1 ZINC000852077121 979330498 /nfs/dbraw/zinc/33/04/98/979330498.db2.gz ZGRVGIWVSBJYEU-LBPRGKRZSA-N 1 1 363.219 1.461 20 30 FDEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2cc(C#N)c(F)cc2F)CC1 ZINC000880715310 979405248 /nfs/dbraw/zinc/40/52/48/979405248.db2.gz BBMJBTQAVWVJPF-UHFFFAOYSA-N 1 1 365.384 1.511 20 30 FDEDMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2cccc(CC#N)n2)CC1 ZINC000881155528 979719897 /nfs/dbraw/zinc/71/98/97/979719897.db2.gz ZPJRXWDVBMMZJZ-UHFFFAOYSA-N 1 1 372.473 1.556 20 30 FDEDMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2cccc(CC#N)n2)CC1 ZINC000881155528 979719908 /nfs/dbraw/zinc/71/99/08/979719908.db2.gz ZPJRXWDVBMMZJZ-UHFFFAOYSA-N 1 1 372.473 1.556 20 30 FDEDMO C=C[C@](C)(O)c1cn([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000881277234 979799804 /nfs/dbraw/zinc/79/98/04/979799804.db2.gz DMVWBJGFSHPSKI-KNBMTAEXSA-N 1 1 369.469 1.623 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000968081170 1014626258 /nfs/dbraw/zinc/62/62/58/1014626258.db2.gz RQATYXLDYWMOLK-BWPNAZKDSA-N 1 1 369.509 1.746 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000968081170 1014626265 /nfs/dbraw/zinc/62/62/65/1014626265.db2.gz RQATYXLDYWMOLK-BWPNAZKDSA-N 1 1 369.509 1.746 20 30 FDEDMO C[N@H+]1Cc2ccccc2[C@@H]1CNc1ccc(C#N)cc1CS(N)(=O)=O ZINC000882697555 981607173 /nfs/dbraw/zinc/60/71/73/981607173.db2.gz DVYDNDQGSBHIGH-SFHVURJKSA-N 1 1 356.451 1.945 20 30 FDEDMO C#CCNc1nc(NC[C@H]2C[C@H](OC)C2)nc(NC[C@H]2C[C@H](OC)C2)[nH+]1 ZINC000882797466 981690119 /nfs/dbraw/zinc/69/01/19/981690119.db2.gz WQSFOGRWWKWFGK-KTSLABGISA-N 1 1 360.462 1.591 20 30 FDEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(S(N)(=O)=O)c1)C2 ZINC001110732593 981692037 /nfs/dbraw/zinc/69/20/37/981692037.db2.gz MQTXENXAEGRMFL-MCIONIFRSA-N 1 1 353.444 1.228 20 30 FDEDMO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(NC(C)=O)CCCCC1)C2 ZINC001110732598 981692223 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FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cn(CC)nn1 ZINC001025111645 787964032 /nfs/dbraw/zinc/96/40/32/787964032.db2.gz JMJOPRWSDUZPDW-SQNIBIBYSA-N 1 1 361.490 1.750 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000978884337 805863630 /nfs/dbraw/zinc/86/36/30/805863630.db2.gz PMBUCTOAEIXBNR-JWLCQNFESA-N 1 1 369.509 1.697 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000978884337 805863639 /nfs/dbraw/zinc/86/36/39/805863639.db2.gz PMBUCTOAEIXBNR-JWLCQNFESA-N 1 1 369.509 1.697 20 30 FDEDMO COc1nn(C)cc1NC(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000330005545 788443596 /nfs/dbraw/zinc/44/35/96/788443596.db2.gz BZQNHZPIJRTVJU-UHFFFAOYSA-N 1 1 364.494 1.465 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000973317453 788540555 /nfs/dbraw/zinc/54/05/55/788540555.db2.gz RIQSYKKLVZHIDV-WSRJKRBPSA-N 1 1 363.502 1.463 20 30 FDEDMO 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ZINC000376600455 789067943 /nfs/dbraw/zinc/06/79/43/789067943.db2.gz SHRVQAPHKCCXEL-ABHNRTSZSA-N 1 1 363.506 1.022 20 30 FDEDMO N#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001112009495 789070142 /nfs/dbraw/zinc/07/01/42/789070142.db2.gz FYLXJWQBMKRSHY-FYNRORONSA-N 1 1 358.486 1.423 20 30 FDEDMO N#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001112009495 789070153 /nfs/dbraw/zinc/07/01/53/789070153.db2.gz FYLXJWQBMKRSHY-FYNRORONSA-N 1 1 358.486 1.423 20 30 FDEDMO C=CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC1CCCC1)C2 ZINC001112018048 789339917 /nfs/dbraw/zinc/33/99/17/789339917.db2.gz YVBXGBVFSSQDGT-FTRWYGJKSA-N 1 1 363.502 1.607 20 30 FDEDMO C=CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC1CCCC1)C2 ZINC001112018048 789339929 /nfs/dbraw/zinc/33/99/29/789339929.db2.gz YVBXGBVFSSQDGT-FTRWYGJKSA-N 1 1 363.502 1.607 20 30 FDEDMO C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1C ZINC001104698813 789495987 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BCVXKYCZRPJIRC-RTBURBONSA-N 1 1 372.469 1.752 20 30 FDEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000377460168 791898187 /nfs/dbraw/zinc/89/81/87/791898187.db2.gz NLYDFQXPXQYTIG-MRXNPFEDSA-N 1 1 368.441 1.388 20 30 FDEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000377460168 791898191 /nfs/dbraw/zinc/89/81/91/791898191.db2.gz NLYDFQXPXQYTIG-MRXNPFEDSA-N 1 1 368.441 1.388 20 30 FDEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCCCS(N)(=O)=O)C1 ZINC001112031648 791936506 /nfs/dbraw/zinc/93/65/06/791936506.db2.gz UOGALIPFHJDNIG-RDJZCZTQSA-N 1 1 357.520 1.382 20 30 FDEDMO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2CCCC2)C[C@H]1C(F)(F)F ZINC001112032394 792016335 /nfs/dbraw/zinc/01/63/35/792016335.db2.gz HJVHTXREDLGLFP-IACUBPJLSA-N 1 1 359.392 1.293 20 30 FDEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000377518271 792113006 /nfs/dbraw/zinc/11/30/06/792113006.db2.gz FRAJMZHZXOTJKJ-SFHVURJKSA-N 1 1 370.453 1.600 20 30 FDEDMO C[C@]1(F)C[NH2+]CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000415779027 792976381 /nfs/dbraw/zinc/97/63/81/792976381.db2.gz IUFAUFHVHJETKX-HNNXBMFYSA-N 1 1 372.322 1.676 20 30 FDEDMO N#Cc1ccc(NC(=O)CC[NH+]2CCN([C@@H]3CCCCNC3=O)CC2)cc1 ZINC000377919859 793071261 /nfs/dbraw/zinc/07/12/61/793071261.db2.gz TXFOANVYHWYWOO-GOSISDBHSA-N 1 1 369.469 1.173 20 30 FDEDMO C#Cc1ccccc1CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000377967236 793271651 /nfs/dbraw/zinc/27/16/51/793271651.db2.gz ONYACRNKSQXAGO-WCRBZPEASA-N 1 1 351.494 1.980 20 30 FDEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3C(=O)Nc4ccccc43)[C@H]2C1 ZINC001083290020 793307392 /nfs/dbraw/zinc/30/73/92/793307392.db2.gz CTSCMHVJDWTMQY-RYQLBKOJSA-N 1 1 355.438 1.600 20 30 FDEDMO C#CCn1ccc(CN(CCOC)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)n1 ZINC000378029626 793420552 /nfs/dbraw/zinc/42/05/52/793420552.db2.gz VCRSANVRFCWNMB-LJQANCHMSA-N 1 1 364.465 1.704 20 30 FDEDMO C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CCCC)C[C@H]2C(F)(F)F)C1=O 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NWAZOUGMBVSYOE-KRWDZBQOSA-N 1 1 368.441 1.862 20 30 FDEDMO C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N[C@@H](C)C2CC2)C1 ZINC001112068313 794644302 /nfs/dbraw/zinc/64/43/02/794644302.db2.gz SDEAHJPTJXWTKY-IACUBPJLSA-N 1 1 361.408 1.846 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000974188699 794679193 /nfs/dbraw/zinc/67/91/93/794679193.db2.gz VEUOTQGTYCZPNY-ZKZVPCBQSA-N 1 1 363.502 1.461 20 30 FDEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](CN(C)c3ccc(C#N)cn3)C2)O1 ZINC001058709887 794918353 /nfs/dbraw/zinc/91/83/53/794918353.db2.gz KEGPODWILLKYKD-KBAYOESNSA-N 1 1 371.485 1.347 20 30 FDEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](CN(C)c3ccc(C#N)cn3)C2)O1 ZINC001058709887 794918357 /nfs/dbraw/zinc/91/83/57/794918357.db2.gz KEGPODWILLKYKD-KBAYOESNSA-N 1 1 371.485 1.347 20 30 FDEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC2CCC2)C[C@H]1C(F)(F)F ZINC001112078071 795175258 /nfs/dbraw/zinc/17/52/58/795175258.db2.gz PWIRYFQXBHGXML-CHWSQXEVSA-N 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816228463 /nfs/dbraw/zinc/22/84/63/816228463.db2.gz AIELJXMAFZTSRP-NEWSRXKRSA-N 1 1 360.502 1.772 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001028855372 816228602 /nfs/dbraw/zinc/22/86/02/816228602.db2.gz AIELJXMAFZTSRP-WDSOQIARSA-N 1 1 360.502 1.772 20 30 FDEDMO C=CCOC[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)OC ZINC000435952056 816260026 /nfs/dbraw/zinc/26/00/26/816260026.db2.gz YEMUXRZOXODZDC-ROUUACIJSA-N 1 1 360.454 1.902 20 30 FDEDMO C=CCOC[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)OC ZINC000435952056 816260031 /nfs/dbraw/zinc/26/00/31/816260031.db2.gz YEMUXRZOXODZDC-ROUUACIJSA-N 1 1 360.454 1.902 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2snnc2C)C1 ZINC001028861389 816293414 /nfs/dbraw/zinc/29/34/14/816293414.db2.gz RZJYBICDOUJAGS-YCPHGPKFSA-N 1 1 350.488 1.766 20 30 FDEDMO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCN(C(=O)CCn4ccnn4)[C@@H]3C2)c1 ZINC001075732538 816829505 /nfs/dbraw/zinc/82/95/05/816829505.db2.gz UYADJFYAIGATDS-MAUKXSAKSA-N 1 1 368.416 1.412 20 30 FDEDMO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCN(C(=O)CCn4ccnn4)[C@@H]3C2)c1 ZINC001075732538 816829512 /nfs/dbraw/zinc/82/95/12/816829512.db2.gz UYADJFYAIGATDS-MAUKXSAKSA-N 1 1 368.416 1.412 20 30 FDEDMO CC(C)(O)C[N@H+]1CCCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000366670874 817113875 /nfs/dbraw/zinc/11/38/75/817113875.db2.gz BGBBIBHNTHHVPS-UHFFFAOYSA-N 1 1 358.486 1.712 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000437792065 817338855 /nfs/dbraw/zinc/33/88/55/817338855.db2.gz JKFKJLQZMFPWSE-IKGGRYGDSA-N 1 1 366.506 1.210 20 30 FDEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000506211513 817544345 /nfs/dbraw/zinc/54/43/45/817544345.db2.gz SOKUXTZGVZKSTD-SFHVURJKSA-N 1 1 367.453 1.893 20 30 FDEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000426155450 817716042 /nfs/dbraw/zinc/71/60/42/817716042.db2.gz XQKHSHBWMJYYKU-CHWSQXEVSA-N 1 1 374.407 1.718 20 30 FDEDMO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cccc(=O)n2C)C1 ZINC001087467329 817808314 /nfs/dbraw/zinc/80/83/14/817808314.db2.gz QBXREKHYXRQCMB-QZTJIDSGSA-N 1 1 367.424 1.746 20 30 FDEDMO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cccc(=O)n2C)C1 ZINC001087467329 817808323 /nfs/dbraw/zinc/80/83/23/817808323.db2.gz QBXREKHYXRQCMB-QZTJIDSGSA-N 1 1 367.424 1.746 20 30 FDEDMO C=C(C)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001087467476 817825622 /nfs/dbraw/zinc/82/56/22/817825622.db2.gz ZGENNCPERPPIOY-BRWVUGGUSA-N 1 1 360.433 1.357 20 30 FDEDMO C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001087467642 817891229 /nfs/dbraw/zinc/89/12/29/817891229.db2.gz HVZCQGSJDFSTQX-OPYAIIAOSA-N 1 1 371.456 1.649 20 30 FDEDMO C#CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC001087471256 818046494 /nfs/dbraw/zinc/04/64/94/818046494.db2.gz WDBLXXQUOBWXAT-ROUUACIJSA-N 1 1 367.453 1.733 20 30 FDEDMO C#CC[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC001087471256 818046496 /nfs/dbraw/zinc/04/64/96/818046496.db2.gz WDBLXXQUOBWXAT-ROUUACIJSA-N 1 1 367.453 1.733 20 30 FDEDMO C[C@@H]1CCC[N@H+]1CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000894421819 818047961 /nfs/dbraw/zinc/04/79/61/818047961.db2.gz FUVJFAOPCCKJNE-CRAIPNDOSA-N 1 1 369.469 1.443 20 30 FDEDMO C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001087474662 818270210 /nfs/dbraw/zinc/27/02/10/818270210.db2.gz RCFCYPQASNJUJN-NEWSRXKRSA-N 1 1 369.465 1.081 20 30 FDEDMO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001087474662 818270217 /nfs/dbraw/zinc/27/02/17/818270217.db2.gz RCFCYPQASNJUJN-NEWSRXKRSA-N 1 1 369.465 1.081 20 30 FDEDMO C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001087474663 818270991 /nfs/dbraw/zinc/27/09/91/818270991.db2.gz RCFCYPQASNJUJN-WDSOQIARSA-N 1 1 369.465 1.081 20 30 FDEDMO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001087474663 818270996 /nfs/dbraw/zinc/27/09/96/818270996.db2.gz RCFCYPQASNJUJN-WDSOQIARSA-N 1 1 369.465 1.081 20 30 FDEDMO C=CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001087476070 818344081 /nfs/dbraw/zinc/34/40/81/818344081.db2.gz RHWGMLCWCLUFRR-MHORFTMASA-N 1 1 357.454 1.277 20 30 FDEDMO C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001087476172 818364316 /nfs/dbraw/zinc/36/43/16/818364316.db2.gz WSSUMIGIOACZER-WDSOQIARSA-N 1 1 369.465 1.271 20 30 FDEDMO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001087476172 818364326 /nfs/dbraw/zinc/36/43/26/818364326.db2.gz WSSUMIGIOACZER-WDSOQIARSA-N 1 1 369.465 1.271 20 30 FDEDMO C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC001087476576 818379861 /nfs/dbraw/zinc/37/98/61/818379861.db2.gz VPBDSXVHJJBRGY-ROUUACIJSA-N 1 1 352.438 1.948 20 30 FDEDMO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC001087476576 818379862 /nfs/dbraw/zinc/37/98/62/818379862.db2.gz VPBDSXVHJJBRGY-ROUUACIJSA-N 1 1 352.438 1.948 20 30 FDEDMO C=CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001087476645 818386476 /nfs/dbraw/zinc/38/64/76/818386476.db2.gz ZINDYEWTLYFZFY-IRXDYDNUSA-N 1 1 355.442 1.516 20 30 FDEDMO C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001087476645 818386489 /nfs/dbraw/zinc/38/64/89/818386489.db2.gz ZINDYEWTLYFZFY-IRXDYDNUSA-N 1 1 355.442 1.516 20 30 FDEDMO C=CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001087476645 818386493 /nfs/dbraw/zinc/38/64/93/818386493.db2.gz ZINDYEWTLYFZFY-IRXDYDNUSA-N 1 1 355.442 1.516 20 30 FDEDMO CC#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001087476807 818391346 /nfs/dbraw/zinc/39/13/46/818391346.db2.gz HIRNXWRHWSDWKJ-GIVPXCGWSA-N 1 1 369.509 1.944 20 30 FDEDMO C#CC[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001087477342 818443380 /nfs/dbraw/zinc/44/33/80/818443380.db2.gz JWFAFCCRRMBEHL-STHPQGGCSA-N 1 1 372.440 1.778 20 30 FDEDMO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001087477342 818443384 /nfs/dbraw/zinc/44/33/84/818443384.db2.gz JWFAFCCRRMBEHL-STHPQGGCSA-N 1 1 372.440 1.778 20 30 FDEDMO C=CC[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)c2cnon2)C1 ZINC001087477885 818480159 /nfs/dbraw/zinc/48/01/59/818480159.db2.gz NTXVWKCPAMXAMV-BBRMVZONSA-N 1 1 360.389 1.991 20 30 FDEDMO C=CC[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)c2cnon2)C1 ZINC001087477885 818480162 /nfs/dbraw/zinc/48/01/62/818480162.db2.gz NTXVWKCPAMXAMV-BBRMVZONSA-N 1 1 360.389 1.991 20 30 FDEDMO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1C ZINC000937415333 818863123 /nfs/dbraw/zinc/86/31/23/818863123.db2.gz HCWRTVCAJOBFOD-VNQPRFMTSA-N 1 1 357.458 1.337 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001087497834 819316406 /nfs/dbraw/zinc/31/64/06/819316406.db2.gz KOETZKAMRHLJBH-RBUKOAKNSA-N 1 1 371.456 1.769 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001087497834 819316412 /nfs/dbraw/zinc/31/64/12/819316412.db2.gz KOETZKAMRHLJBH-RBUKOAKNSA-N 1 1 371.456 1.769 20 30 FDEDMO Cc1cn2c(n1)[C@H](CNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)CCC2 ZINC000328660739 819525498 /nfs/dbraw/zinc/52/54/98/819525498.db2.gz VWJBBYJNYCMCOX-DLBZAZTESA-N 1 1 363.506 1.929 20 30 FDEDMO C[N@H+]1CCN(CCNC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1(C)C ZINC000328714697 819540032 /nfs/dbraw/zinc/54/00/32/819540032.db2.gz OFKQBQIKLSPHJI-HUUCEWRRSA-N 1 1 364.490 1.144 20 30 FDEDMO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1=O ZINC000328802129 819560005 /nfs/dbraw/zinc/56/00/05/819560005.db2.gz ATLMNVYJVQTYJQ-YKPDLDGBSA-N 1 1 356.470 1.945 20 30 FDEDMO O=C(CN1CC[N@H+]2CCC[C@H]2C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000328833326 819560563 /nfs/dbraw/zinc/56/05/63/819560563.db2.gz RTERFENJCYBJHZ-IBGZPJMESA-N 1 1 370.497 1.762 20 30 FDEDMO Cn1ncnc1[C@H]1COCCN1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000328901080 819571734 /nfs/dbraw/zinc/57/17/34/819571734.db2.gz YQYVKKLFBBBUBM-BBWFWOEESA-N 1 1 370.457 1.548 20 30 FDEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000983803982 819579756 /nfs/dbraw/zinc/57/97/56/819579756.db2.gz GBRUQTKLRDOGHP-CJNGLKHVSA-N 1 1 368.441 1.448 20 30 FDEDMO CCOC(=O)c1cnc(C)c(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1 ZINC000330587744 819626055 /nfs/dbraw/zinc/62/60/55/819626055.db2.gz UAZQRIWPFNTGLA-CHWSQXEVSA-N 1 1 364.446 1.499 20 30 FDEDMO CCOC(=O)c1cnc(C)c(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1 ZINC000330587744 819626061 /nfs/dbraw/zinc/62/60/61/819626061.db2.gz UAZQRIWPFNTGLA-CHWSQXEVSA-N 1 1 364.446 1.499 20 30 FDEDMO CC(C)CNC(=O)NC(=O)[C@H](C)N1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000330623476 819628851 /nfs/dbraw/zinc/62/88/51/819628851.db2.gz PQCCYSWDLJJOCL-CVEARBPZSA-N 1 1 367.538 1.161 20 30 FDEDMO CC(C)CNC(=O)NC(=O)[C@H](C)N1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000330623476 819628856 /nfs/dbraw/zinc/62/88/56/819628856.db2.gz PQCCYSWDLJJOCL-CVEARBPZSA-N 1 1 367.538 1.161 20 30 FDEDMO CC[C@H]1CN(C(=O)c2cccc(NC(=O)N(C)C)c2)CC[N@H+]1C[C@H](C)O ZINC000330699459 819631292 /nfs/dbraw/zinc/63/12/92/819631292.db2.gz XPKASZBASLVDFH-YOEHRIQHSA-N 1 1 362.474 1.711 20 30 FDEDMO C[C@@H](O)CC(C)(C)CNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000330996103 819660484 /nfs/dbraw/zinc/66/04/84/819660484.db2.gz XFZKXPTVFAMEES-OAHLLOKOSA-N 1 1 368.522 1.184 20 30 FDEDMO CN(C)C(=O)CC1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000331311752 819675746 /nfs/dbraw/zinc/67/57/46/819675746.db2.gz VEITZXRZFWYTOS-UHFFFAOYSA-N 1 1 367.538 1.117 20 30 FDEDMO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CCN(C(=O)CC#N)CC2)C1 ZINC000895065364 819836910 /nfs/dbraw/zinc/83/69/10/819836910.db2.gz CIIUBWAWZPWGGT-GOSISDBHSA-N 1 1 350.463 1.691 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000459014213 819845380 /nfs/dbraw/zinc/84/53/80/819845380.db2.gz FAWNUNGWNTZLOD-UXHICEINSA-N 1 1 372.513 1.789 20 30 FDEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3ccc(Cl)cc3)C[C@@H]2O)[nH]1 ZINC001083413231 820008519 /nfs/dbraw/zinc/00/85/19/820008519.db2.gz FDRRPTCKWBMVIP-SJORKVTESA-N 1 1 358.829 1.557 20 30 FDEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCC(F)(F)C3)C[C@@H]2O)[nH]1 ZINC001083413626 820023814 /nfs/dbraw/zinc/02/38/14/820023814.db2.gz XJMBAQZMZNLRNK-DFBGVHRSSA-N 1 1 352.385 1.487 20 30 FDEDMO CC(C)Oc1cccc(C[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)c1 ZINC001083413939 820134742 /nfs/dbraw/zinc/13/47/42/820134742.db2.gz DUTSSCYLQQMQNF-MOPGFXCFSA-N 1 1 368.437 1.649 20 30 FDEDMO CC(C)Oc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)c1 ZINC001083413939 820134744 /nfs/dbraw/zinc/13/47/44/820134744.db2.gz DUTSSCYLQQMQNF-MOPGFXCFSA-N 1 1 368.437 1.649 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001087521694 820392820 /nfs/dbraw/zinc/39/28/20/820392820.db2.gz SFZREINXBIPIBS-GVDBMIGSSA-N 1 1 358.417 1.445 20 30 FDEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cn(C)nc3C)[C@H]2CC)C1=O ZINC001087523911 820424044 /nfs/dbraw/zinc/42/40/44/820424044.db2.gz RWZPWBVDCHYIIO-GVDBMIGSSA-N 1 1 359.474 1.098 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001075806243 820755297 /nfs/dbraw/zinc/75/52/97/820755297.db2.gz BFMOCAWCYDEVBH-MANSERQUSA-N 1 1 371.481 1.399 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3c(C)nnn3CC)C[C@H]21 ZINC001075807853 820913740 /nfs/dbraw/zinc/91/37/40/820913740.db2.gz ZNICZARHLVRBDX-ISARSNTHSA-N 1 1 373.501 1.620 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3c(C)nnn3CC)C[C@H]21 ZINC001075807853 820913745 /nfs/dbraw/zinc/91/37/45/820913745.db2.gz ZNICZARHLVRBDX-ISARSNTHSA-N 1 1 373.501 1.620 20 30 FDEDMO N#Cc1cnn(-c2ccc(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)cc2)c1N ZINC000520890651 820993389 /nfs/dbraw/zinc/99/33/89/820993389.db2.gz CYBHCZIWFSNARW-CYBMUJFWSA-N 1 1 350.426 1.540 20 30 FDEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCCF)C[C@]2(C)C1 ZINC001101330039 821054394 /nfs/dbraw/zinc/05/43/94/821054394.db2.gz WFLZKVFRXARZDF-APWZRJJASA-N 1 1 353.482 1.941 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1cncc(OC)n1 ZINC001087545527 821247214 /nfs/dbraw/zinc/24/72/14/821247214.db2.gz OPSOGVSBRZIBHY-GOEBONIOSA-N 1 1 354.414 1.468 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1cncc(OC)n1 ZINC001087545527 821247221 /nfs/dbraw/zinc/24/72/21/821247221.db2.gz OPSOGVSBRZIBHY-GOEBONIOSA-N 1 1 354.414 1.468 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2COCCN2C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087547276 821284832 /nfs/dbraw/zinc/28/48/32/821284832.db2.gz BQLOBGBKTJHXEQ-IPMKNSEASA-N 1 1 356.470 1.358 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3coc(CC)n3)[C@H]2CC)C1=O ZINC001087548147 821301787 /nfs/dbraw/zinc/30/17/87/821301787.db2.gz FQBKNUBFJRWWFL-NUEKZKHPSA-N 1 1 360.458 1.607 20 30 FDEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3coc(CC)n3)[C@H]2CC)C1=O ZINC001087548147 821301796 /nfs/dbraw/zinc/30/17/96/821301796.db2.gz FQBKNUBFJRWWFL-NUEKZKHPSA-N 1 1 360.458 1.607 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC001087548823 821302005 /nfs/dbraw/zinc/30/20/05/821302005.db2.gz QOTQLBRXPGLMMT-HRCADAONSA-N 1 1 353.430 1.248 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1ccnc(OC)n1 ZINC001087548688 821307380 /nfs/dbraw/zinc/30/73/80/821307380.db2.gz JQMSVBJICBPXNE-JKSUJKDBSA-N 1 1 354.414 1.468 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1ccnc(OC)n1 ZINC001087548688 821307388 /nfs/dbraw/zinc/30/73/88/821307388.db2.gz JQMSVBJICBPXNE-JKSUJKDBSA-N 1 1 354.414 1.468 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CCCc1nc(C)no1 ZINC001087548719 821307936 /nfs/dbraw/zinc/30/79/36/821307936.db2.gz LBBHFGMBISCACC-JKSUJKDBSA-N 1 1 356.430 1.793 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(OC)no3)[C@H]2CC)C1=O ZINC001087549128 821319963 /nfs/dbraw/zinc/31/99/63/821319963.db2.gz HEXGSUJVQQRJCM-MJBXVCDLSA-N 1 1 362.430 1.053 20 30 FDEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(OC)no3)[C@H]2CC)C1=O ZINC001087549128 821319973 /nfs/dbraw/zinc/31/99/73/821319973.db2.gz HEXGSUJVQQRJCM-MJBXVCDLSA-N 1 1 362.430 1.053 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)c2cnn(C)c2N)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001087550598 821362113 /nfs/dbraw/zinc/36/21/13/821362113.db2.gz IOEDBKJDQITHJZ-ZWKOTPCHSA-N 1 1 369.444 1.776 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)c2cnn(C)c2N)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001087550598 821362124 /nfs/dbraw/zinc/36/21/24/821362124.db2.gz IOEDBKJDQITHJZ-ZWKOTPCHSA-N 1 1 369.444 1.776 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)Cn2nccn2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001087587487 821615778 /nfs/dbraw/zinc/61/57/78/821615778.db2.gz QXFQSEKBNBAVSF-DLBZAZTESA-N 1 1 356.405 1.458 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)Cn2nccn2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001087587487 821615782 /nfs/dbraw/zinc/61/57/82/821615782.db2.gz QXFQSEKBNBAVSF-DLBZAZTESA-N 1 1 356.405 1.458 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)Cn2nccn2)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001087587397 821616062 /nfs/dbraw/zinc/61/60/62/821616062.db2.gz MLPDSJZSSIBXKQ-ZWKOTPCHSA-N 1 1 368.441 1.350 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C3(F)CCOCC3)[C@H]2CC)C1=O ZINC001087596585 821662879 /nfs/dbraw/zinc/66/28/79/821662879.db2.gz MTXJAZPLHSLPCT-ARFHVFGLSA-N 1 1 367.465 1.261 20 30 FDEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C3(F)CCOCC3)[C@H]2CC)C1=O ZINC001087596585 821662884 /nfs/dbraw/zinc/66/28/84/821662884.db2.gz MTXJAZPLHSLPCT-ARFHVFGLSA-N 1 1 367.465 1.261 20 30 FDEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2ccns2)[C@@H]1CC ZINC001087606960 821712829 /nfs/dbraw/zinc/71/28/29/821712829.db2.gz BRSSAUVYAYRKGS-KSZLIROESA-N 1 1 360.527 1.752 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)Cc2cn(CC)nn2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087668213 821968189 /nfs/dbraw/zinc/96/81/89/821968189.db2.gz JIGLJVLFGUQMGV-RBUKOAKNSA-N 1 1 366.469 1.881 20 30 FDEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3cncc(C)c3)[C@H]2CC)C1=O ZINC001087673926 821986005 /nfs/dbraw/zinc/98/60/05/821986005.db2.gz IBSORTNJIRFDQZ-OTWHNJEPSA-N 1 1 370.497 1.689 20 30 FDEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H]1CC ZINC001087680032 821999692 /nfs/dbraw/zinc/99/96/92/821999692.db2.gz VTLKBDRZIPNRLE-UONOGXRCSA-N 1 1 358.450 1.243 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001087729096 822259252 /nfs/dbraw/zinc/25/92/52/822259252.db2.gz JAUGNKHTEYEIRS-VSZNYVQBSA-N 1 1 370.453 1.179 20 30 FDEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3c[nH]nc3C3CC3)[C@H]2CC)C1=O ZINC001087781828 822431509 /nfs/dbraw/zinc/43/15/09/822431509.db2.gz HGKFNAGJULRDNN-GVDBMIGSSA-N 1 1 371.485 1.657 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001087789013 822436711 /nfs/dbraw/zinc/43/67/11/822436711.db2.gz UQTRXGBIHHXVJP-JKSUJKDBSA-N 1 1 356.405 1.527 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001087789013 822436721 /nfs/dbraw/zinc/43/67/21/822436721.db2.gz UQTRXGBIHHXVJP-JKSUJKDBSA-N 1 1 356.405 1.527 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)[C@@H]2CC)nc1 ZINC001087802290 822462152 /nfs/dbraw/zinc/46/21/52/822462152.db2.gz HZMWXNAUOYNGAA-ZIFCJYIRSA-N 1 1 368.481 1.562 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCCc3nc(C)no3)[C@@H]2CC)cn1 ZINC001087802961 822462895 /nfs/dbraw/zinc/46/28/95/822462895.db2.gz UEIADQKDGYSKIG-ZWKOTPCHSA-N 1 1 367.453 1.970 20 30 FDEDMO C#Cc1ccc(C(=O)N2CCC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc1 ZINC000984443982 822551518 /nfs/dbraw/zinc/55/15/18/822551518.db2.gz JOWJZXYTCRLCNX-BPQIPLTHSA-N 1 1 368.481 1.466 20 30 FDEDMO C#CC[C@H]1CC[N@H+](Cc2cn(CC(=O)OCC)nc2-c2cnn(C)c2)C1 ZINC000895390946 822573526 /nfs/dbraw/zinc/57/35/26/822573526.db2.gz QWHLAKZDABBYLO-HNNXBMFYSA-N 1 1 355.442 1.692 20 30 FDEDMO C#CC[C@@H]1CC[N@H+](Cc2cn(CC(=O)OCC)nc2-c2cnn(C)c2)C1 ZINC000895390947 822573674 /nfs/dbraw/zinc/57/36/74/822573674.db2.gz QWHLAKZDABBYLO-OAHLLOKOSA-N 1 1 355.442 1.692 20 30 FDEDMO COCCN(CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ncccc1C#N ZINC001126555635 822625862 /nfs/dbraw/zinc/62/58/62/822625862.db2.gz MYLGENXZCLREEF-HUUCEWRRSA-N 1 1 354.414 1.049 20 30 FDEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CC3CCC(F)(F)CC3)C[C@@H]2O)c[nH]1 ZINC001083418757 822646575 /nfs/dbraw/zinc/64/65/75/822646575.db2.gz ZBCBKDPWDLVTQY-CABCVRRESA-N 1 1 352.385 1.487 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)c4ccccc4)C[C@@H]3C2)C1=O ZINC001087869690 822647833 /nfs/dbraw/zinc/64/78/33/822647833.db2.gz AURJSOAHADTWBQ-QYZOEREBSA-N 1 1 353.466 1.867 20 30 FDEDMO CN(C)c1ccc(C#N)cc1C[NH+]1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000895553110 822649042 /nfs/dbraw/zinc/64/90/42/822649042.db2.gz YGNWKKCKUJHXIT-UHFFFAOYSA-N 1 1 369.513 1.930 20 30 FDEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001029841765 828497638 /nfs/dbraw/zinc/49/76/38/828497638.db2.gz OWOULWUVWGSDTQ-BMFZPTHFSA-N 1 1 358.417 1.099 20 30 FDEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3cnnn3-c3ccccc3)CC[C@@H]2C1 ZINC001087911819 823776368 /nfs/dbraw/zinc/77/63/68/823776368.db2.gz LUZSURUNODEYLH-ZACQAIPSSA-N 1 1 364.453 1.707 20 30 FDEDMO Cn1cc(CC[N@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)cn1 ZINC001087924728 823928080 /nfs/dbraw/zinc/92/80/80/823928080.db2.gz HDUWTJRBTRAZQP-SJORKVTESA-N 1 1 352.442 1.256 20 30 FDEDMO Cn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)cc1=O ZINC001087925236 823936616 /nfs/dbraw/zinc/93/66/16/823936616.db2.gz CBMCEDAEVXABPB-SJORKVTESA-N 1 1 365.437 1.179 20 30 FDEDMO Cc1nccnc1C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1 ZINC001087939958 824034422 /nfs/dbraw/zinc/03/44/22/824034422.db2.gz BDFCZXMXRCQLQD-ZBFHGGJFSA-N 1 1 350.426 1.579 20 30 FDEDMO N#Cc1cc(C(=O)N2C[C@@H]3C[N@H+](C[C@H]4CCNC(=O)CC4)CC[C@@H]3C2)c[nH]1 ZINC001087941316 824039580 /nfs/dbraw/zinc/03/95/80/824039580.db2.gz WIOZIPXQQAHICE-INMHGKMJSA-N 1 1 369.469 1.197 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)c4coc(C)c4)C[C@@H]3C2)C1=O ZINC001087945868 824073412 /nfs/dbraw/zinc/07/34/12/824073412.db2.gz PPLPIEYSNAARTI-BPQIPLTHSA-N 1 1 357.454 1.769 20 30 FDEDMO CC(C)[C@@H](O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)CC[C@@H]2C1 ZINC001087955748 824144294 /nfs/dbraw/zinc/14/42/94/824144294.db2.gz FOBQUTYBEODWRT-HHXXYDBFSA-N 1 1 359.445 1.995 20 30 FDEDMO Cc1nnc(CC(=O)N2C[C@@H]3C[N@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)o1 ZINC001087956853 824147724 /nfs/dbraw/zinc/14/77/24/824147724.db2.gz LYPPKQDOXJWSGM-MSOLQXFVSA-N 1 1 365.437 1.773 20 30 FDEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)C[C@@H]2C1 ZINC001087969721 824264017 /nfs/dbraw/zinc/26/40/17/824264017.db2.gz KBAGTZQCDGWDPR-YSTOQKLRSA-N 1 1 366.509 1.958 20 30 FDEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(-c4ccn(C)n4)on3)C[C@@H]2C1 ZINC001087979199 824341142 /nfs/dbraw/zinc/34/11/42/824341142.db2.gz OYEVQQFWJCPHLK-CABCVRRESA-N 1 1 353.426 1.492 20 30 FDEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4nccn4)C[C@@H]3C2)cc1F ZINC001087980669 824347729 /nfs/dbraw/zinc/34/77/29/824347729.db2.gz MARGVPJXCPPFJO-SJORKVTESA-N 1 1 368.416 1.269 20 30 FDEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3[nH]nc4c3cccc4OC)C[C@@H]2C1 ZINC001087981936 824352585 /nfs/dbraw/zinc/35/25/85/824352585.db2.gz CLNCIMWDJZYJAO-CABCVRRESA-N 1 1 352.438 1.989 20 30 FDEDMO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000643410382 824371272 /nfs/dbraw/zinc/37/12/72/824371272.db2.gz LOLVKQOPYBEIPQ-NXHRZFHOSA-N 1 1 359.470 1.125 20 30 FDEDMO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000643410382 824371276 /nfs/dbraw/zinc/37/12/76/824371276.db2.gz LOLVKQOPYBEIPQ-NXHRZFHOSA-N 1 1 359.470 1.125 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(OC)ccn2)C1 ZINC001029846422 828649564 /nfs/dbraw/zinc/64/95/64/828649564.db2.gz GCGIBQMOQFGDSH-IPELMVKDSA-N 1 1 359.470 1.962 20 30 FDEDMO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)CC[N@H+]1C ZINC000329059196 824550068 /nfs/dbraw/zinc/55/00/68/824550068.db2.gz MZXGTTDGOXVEEO-MUQADHOPSA-N 1 1 362.522 1.789 20 30 FDEDMO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)CC[N@@H+]1C ZINC000329059196 824550082 /nfs/dbraw/zinc/55/00/82/824550082.db2.gz MZXGTTDGOXVEEO-MUQADHOPSA-N 1 1 362.522 1.789 20 30 FDEDMO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)CC[N@H+]1C ZINC000329059196 824550089 /nfs/dbraw/zinc/55/00/89/824550089.db2.gz MZXGTTDGOXVEEO-MUQADHOPSA-N 1 1 362.522 1.789 20 30 FDEDMO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)CC[N@H+]1C ZINC000329059195 824550214 /nfs/dbraw/zinc/55/02/14/824550214.db2.gz MZXGTTDGOXVEEO-KYHPRHEASA-N 1 1 362.522 1.789 20 30 FDEDMO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)CC[N@@H+]1C ZINC000329059195 824550227 /nfs/dbraw/zinc/55/02/27/824550227.db2.gz MZXGTTDGOXVEEO-KYHPRHEASA-N 1 1 362.522 1.789 20 30 FDEDMO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)CC[N@H+]1C ZINC000329059195 824550235 /nfs/dbraw/zinc/55/02/35/824550235.db2.gz MZXGTTDGOXVEEO-KYHPRHEASA-N 1 1 362.522 1.789 20 30 FDEDMO C[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)[C@@H]1CN(C)CCN1C ZINC000896542546 824553468 /nfs/dbraw/zinc/55/34/68/824553468.db2.gz RUEXJUXSKUJCKJ-QOKNQOGYSA-N 1 1 373.476 1.274 20 30 FDEDMO C[C@H](NC(=O)C[N@@H+]1C[C@H](N2CCOCC2)C[C@@H]1C)C(=O)N1CCCCC1 ZINC000329083355 824567438 /nfs/dbraw/zinc/56/74/38/824567438.db2.gz SRKCBWPEOVSYOO-YESZJQIVSA-N 1 1 366.506 1.139 20 30 FDEDMO C[C@H](NC(=O)C[N@H+]1C[C@H](N2CCOCC2)C[C@@H]1C)C(=O)N1CCCCC1 ZINC000329083355 824567440 /nfs/dbraw/zinc/56/74/40/824567440.db2.gz SRKCBWPEOVSYOO-YESZJQIVSA-N 1 1 366.506 1.139 20 30 FDEDMO Cc1nc(Cn2nnc(NC(=O)N3CC[N@H+]4CCCC[C@@H]4C3)c2C)no1 ZINC000329118218 824602200 /nfs/dbraw/zinc/60/22/00/824602200.db2.gz JJCKTHKEHWDRPR-CYBMUJFWSA-N 1 1 360.422 1.042 20 30 FDEDMO Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000329136673 824618790 /nfs/dbraw/zinc/61/87/90/824618790.db2.gz CXTZNJNJCJPSRT-MJEQTWJJSA-N 1 1 361.490 1.949 20 30 FDEDMO C=CCc1cc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc(OC)c1OC ZINC000896576187 824651977 /nfs/dbraw/zinc/65/19/77/824651977.db2.gz FXFPPXXCVAFSQN-YOEHRIQHSA-N 1 1 361.486 1.796 20 30 FDEDMO C[C@@H]1C[N@@H+](C)CCN1CC(=O)NCc1ccccc1CN1CCCC1=O ZINC000329212741 824672778 /nfs/dbraw/zinc/67/27/78/824672778.db2.gz IGCIROAELBCVRB-MRXNPFEDSA-N 1 1 358.486 1.901 20 30 FDEDMO C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CC[N@H+](C4CC4)C3)cn2)CCO1 ZINC000329303023 824724675 /nfs/dbraw/zinc/72/46/75/824724675.db2.gz NSTGVBBCWMKDGB-GDBMZVCRSA-N 1 1 359.474 1.547 20 30 FDEDMO CCOc1ccnc(N2CCN(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)n1 ZINC000329303055 824725214 /nfs/dbraw/zinc/72/52/14/824725214.db2.gz NSYIFXQYRLHKDZ-CQSZACIVSA-N 1 1 360.462 1.148 20 30 FDEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCCN(C(=O)N4CCCC4)C3)[C@@H]2C1 ZINC000329336170 824743247 /nfs/dbraw/zinc/74/32/47/824743247.db2.gz LOWWJJUNNGLGHO-BRWVUGGUSA-N 1 1 363.506 1.607 20 30 FDEDMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3cnn(C)c3C#N)cc2)CC1 ZINC000474904419 824783095 /nfs/dbraw/zinc/78/30/95/824783095.db2.gz FXZUWURXFWMCJC-UHFFFAOYSA-N 1 1 366.469 1.359 20 30 FDEDMO C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000329533724 824861576 /nfs/dbraw/zinc/86/15/76/824861576.db2.gz KNMDZUFWVNDXNW-VKJFTORMSA-N 1 1 369.469 1.725 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000984790465 824920952 /nfs/dbraw/zinc/92/09/52/824920952.db2.gz TZYBQWBCMGOXKX-RCCFBDPRSA-N 1 1 371.485 1.868 20 30 FDEDMO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3nncn3C)CC[C@@H]2C1 ZINC001087992813 824956111 /nfs/dbraw/zinc/95/61/11/824956111.db2.gz NRQJCDXBOFYNHT-ZACQAIPSSA-N 1 1 368.485 1.958 20 30 FDEDMO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3nncn3C)CC[C@@H]2C1 ZINC001087992813 824956116 /nfs/dbraw/zinc/95/61/16/824956116.db2.gz NRQJCDXBOFYNHT-ZACQAIPSSA-N 1 1 368.485 1.958 20 30 FDEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)c4ccccc43)C[C@@H]2C1 ZINC001087996577 825001023 /nfs/dbraw/zinc/00/10/23/825001023.db2.gz AHWKQYXNPGXJFJ-JTDSTZFVSA-N 1 1 351.450 1.317 20 30 FDEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)c4ccccc43)C[C@@H]2C1 ZINC001087996631 825002311 /nfs/dbraw/zinc/00/23/11/825002311.db2.gz DPZSDUCDFNFQSG-JTDSTZFVSA-N 1 1 351.450 1.317 20 30 FDEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCCO[C@@H]3c3ccccc3)C[C@@H]2C1 ZINC001087999849 825056860 /nfs/dbraw/zinc/05/68/60/825056860.db2.gz DZIBHYHTQRVQKY-PLACYPQZSA-N 1 1 368.477 1.947 20 30 FDEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)C[C@@H]2C1 ZINC001087998381 825078121 /nfs/dbraw/zinc/07/81/21/825078121.db2.gz FKMXEPWOGKNUBA-LULLPPNCSA-N 1 1 358.486 1.854 20 30 FDEDMO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000329650970 825199190 /nfs/dbraw/zinc/19/91/90/825199190.db2.gz KEBOGUAYYCMKRO-GDBMZVCRSA-N 1 1 361.442 1.841 20 30 FDEDMO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000329650970 825199192 /nfs/dbraw/zinc/19/91/92/825199192.db2.gz KEBOGUAYYCMKRO-GDBMZVCRSA-N 1 1 361.442 1.841 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)c4ccsn4)C[C@@H]3C2)C1=O ZINC001088008598 825199854 /nfs/dbraw/zinc/19/98/54/825199854.db2.gz XESFLWPCSHPCFZ-IJEWVQPXSA-N 1 1 360.483 1.324 20 30 FDEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn4c(n3)C[C@H](OC)CC4)C[C@@H]2C1 ZINC001088010065 825214498 /nfs/dbraw/zinc/21/44/98/825214498.db2.gz IIPWDLKOUZUWDR-IXDOHACOSA-N 1 1 356.470 1.262 20 30 FDEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@@H]2C1 ZINC001088012398 825239573 /nfs/dbraw/zinc/23/95/73/825239573.db2.gz HLGBUEZDSSAPJZ-ZBFHGGJFSA-N 1 1 352.500 1.168 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)Cc4ccccc4)C[C@@H]3C2)C1=O ZINC001088015988 825269264 /nfs/dbraw/zinc/26/92/64/825269264.db2.gz JXSFJXMMBMMYBQ-HSALFYBXSA-N 1 1 367.493 1.796 20 30 FDEDMO COc1cc(N2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)ncn1 ZINC000329683522 825301108 /nfs/dbraw/zinc/30/11/08/825301108.db2.gz XTBVSBSERNZYBK-CABCVRRESA-N 1 1 360.462 1.148 20 30 FDEDMO Cc1ccc(N2CCC[C@H](NC(=O)N(C)C[C@@H]3CCC[N@@H+](C)C3)C2)nn1 ZINC000329683079 825301309 /nfs/dbraw/zinc/30/13/09/825301309.db2.gz SVGLQEHTYFLTSP-SJORKVTESA-N 1 1 360.506 1.941 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnsn2)C1 ZINC000984902368 825339922 /nfs/dbraw/zinc/33/99/22/825339922.db2.gz KFSWKGZFYSCXBG-SDADXPQNSA-N 1 1 350.488 1.894 20 30 FDEDMO C=CC[N@H+](C[C@](C)(O)C(=O)OCC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000475029843 825361122 /nfs/dbraw/zinc/36/11/22/825361122.db2.gz FUGAQWNIQJXJQA-KSSFIOAISA-N 1 1 359.430 1.525 20 30 FDEDMO C[NH+]1CCC(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)(N2CCCCC2)CC1 ZINC000439612676 825396056 /nfs/dbraw/zinc/39/60/56/825396056.db2.gz SFLQBBKWPQNJIJ-LJQANCHMSA-N 1 1 369.513 1.625 20 30 FDEDMO CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H]3CCc4nc[nH]c4C3)CC2)CC1 ZINC000329735440 825408032 /nfs/dbraw/zinc/40/80/32/825408032.db2.gz RZCXTHZFTJKLBQ-INIZCTEOSA-N 1 1 374.533 1.671 20 30 FDEDMO COC[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000329779370 825449765 /nfs/dbraw/zinc/44/97/65/825449765.db2.gz QXYRTDMKPLDDSL-SFHVURJKSA-N 1 1 363.458 1.280 20 30 FDEDMO C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)CC[N@H+]1C ZINC000329816838 825478135 /nfs/dbraw/zinc/47/81/35/825478135.db2.gz WIAONNJODLTCPS-AEFFLSMTSA-N 1 1 358.486 1.770 20 30 FDEDMO C[C@@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C[C@@H]1[NH+](C)C ZINC000329840671 825497891 /nfs/dbraw/zinc/49/78/91/825497891.db2.gz WLRSDDCDQTXTBV-WBVHZDCISA-N 1 1 360.506 1.129 20 30 FDEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000329842546 825498580 /nfs/dbraw/zinc/49/85/80/825498580.db2.gz PBMRXURKHYMDLU-MLGOLLRUSA-N 1 1 356.426 1.931 20 30 FDEDMO CO[C@@H]1C[N@H+](CCOc2ccc(C)cc2)C[C@H]1NC(=O)CSCC#N ZINC001211888671 825516426 /nfs/dbraw/zinc/51/64/26/825516426.db2.gz IURGCHVQSRJACZ-IAGOWNOFSA-N 1 1 363.483 1.446 20 30 FDEDMO CO[C@@H]1C[N@@H+](CCOc2ccc(C)cc2)C[C@H]1NC(=O)CSCC#N ZINC001211888671 825516432 /nfs/dbraw/zinc/51/64/32/825516432.db2.gz IURGCHVQSRJACZ-IAGOWNOFSA-N 1 1 363.483 1.446 20 30 FDEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000329903056 825535600 /nfs/dbraw/zinc/53/56/00/825535600.db2.gz ICSXNIJOSFVXOF-INIZCTEOSA-N 1 1 358.442 1.772 20 30 FDEDMO Cc1c([C@H]2[C@H](C(=O)NCC[N@@H+]3CC=C(C)CC3)CC(=O)N2C)cnn1C ZINC000329943331 825556759 /nfs/dbraw/zinc/55/67/59/825556759.db2.gz HSPONQYNGXKMTD-CRAIPNDOSA-N 1 1 359.474 1.856 20 30 FDEDMO CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2C[C@@]23CCOC3)cc[nH+]1 ZINC000329960942 825568224 /nfs/dbraw/zinc/56/82/24/825568224.db2.gz RXQIHSPAPDVAPR-WZTLGTBRSA-N 1 1 363.437 1.843 20 30 FDEDMO 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MYBJCWNDMGNLQH-FGTMMUONSA-N 1 1 362.495 1.581 20 30 FDEDMO C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001086598052 933981769 /nfs/dbraw/zinc/98/17/69/933981769.db2.gz MYBJCWNDMGNLQH-FGTMMUONSA-N 1 1 362.495 1.581 20 30 FDEDMO C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn(CCOC)n2)C1 ZINC001086599033 934009112 /nfs/dbraw/zinc/00/91/12/934009112.db2.gz RGPBJBDSFLHCBH-AZUAARDMSA-N 1 1 366.465 1.751 20 30 FDEDMO C=CCC1(C(=O)OCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCC1 ZINC000791564406 934063890 /nfs/dbraw/zinc/06/38/90/934063890.db2.gz LTESMMKTOXAZBU-INIZCTEOSA-N 1 1 352.475 1.749 20 30 FDEDMO C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn3nnnc3c2)C1 ZINC001086603044 934205497 /nfs/dbraw/zinc/20/54/97/934205497.db2.gz FZGFEMDDZIQMQR-ZWKOTPCHSA-N 1 1 360.421 1.345 20 30 FDEDMO C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(N(C)C)nn2)C1 ZINC001086620356 938359454 /nfs/dbraw/zinc/35/94/54/938359454.db2.gz MIBQYNZIIFNWEP-FUHWJXTLSA-N 1 1 351.454 1.926 20 30 FDEDMO 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938425251 /nfs/dbraw/zinc/42/52/51/938425251.db2.gz OIYWUKWGAXXLIQ-MSOLQXFVSA-N 1 1 353.426 1.030 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)c2ccc(F)cc2)[C@@H](n2ccnn2)C1 ZINC001129470497 938430291 /nfs/dbraw/zinc/43/02/91/938430291.db2.gz JOVWXPPHUMVHDR-OTWHNJEPSA-N 1 1 369.444 1.976 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001129490959 938442932 /nfs/dbraw/zinc/44/29/32/938442932.db2.gz XDMYNCFRYFJFDP-UAGQMJEPSA-N 1 1 357.462 1.123 20 30 FDEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c(C)csc2=O)C1 ZINC001086623033 938447106 /nfs/dbraw/zinc/44/71/06/938447106.db2.gz HFPZAEXMSKZJRG-ZWKOTPCHSA-N 1 1 369.490 1.826 20 30 FDEDMO CCCCCCC[NH2+][C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@@H]1n1ccnn1 ZINC001129704134 938489739 /nfs/dbraw/zinc/48/97/39/938489739.db2.gz TYQDYUBBBDZLBC-SJORKVTESA-N 1 1 359.478 1.935 20 30 FDEDMO C#CCNc1nc(N[C@H]2CCCOCC2)nc(N[C@H]2CCCOCC2)[nH+]1 ZINC000804596494 938489983 /nfs/dbraw/zinc/48/99/83/938489983.db2.gz METMVBYLSWPQKQ-GJZGRUSLSA-N 1 1 360.462 1.879 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C2CC2)N2CCOCC2)C1 ZINC001086624969 938507472 /nfs/dbraw/zinc/50/74/72/938507472.db2.gz CZGVDTMVLZUUFF-HBMCJLEFSA-N 1 1 369.509 1.867 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH]ncc32)C[C@@H]1n1ccnn1 ZINC001129845740 938525618 /nfs/dbraw/zinc/52/56/18/938525618.db2.gz TUWLMSFWSAQZHK-XYPHTWIQSA-N 1 1 355.446 1.039 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nc(C)[nH]c3C2)C[C@@H]1n1ccnn1 ZINC001129918551 938567175 /nfs/dbraw/zinc/56/71/75/938567175.db2.gz DCGFOBFCEYCSHE-QGTPRVQTSA-N 1 1 369.473 1.032 20 30 FDEDMO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CCC(NC(C)=O)CC2)C1 ZINC001086626220 938573791 /nfs/dbraw/zinc/57/37/91/938573791.db2.gz BGXIDEHLFQICCV-NSKBAKJYSA-N 1 1 367.493 1.899 20 30 FDEDMO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CCC(NC(C)=O)CC2)C1 ZINC001086626220 938573792 /nfs/dbraw/zinc/57/37/92/938573792.db2.gz BGXIDEHLFQICCV-NSKBAKJYSA-N 1 1 367.493 1.899 20 30 FDEDMO C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001086626348 938574754 /nfs/dbraw/zinc/57/47/54/938574754.db2.gz IIQGSRQTAXEOHB-KSZLIROESA-N 1 1 356.470 1.690 20 30 FDEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001129977887 938593061 /nfs/dbraw/zinc/59/30/61/938593061.db2.gz IYORHGDPFZYJFT-NXHRZFHOSA-N 1 1 354.458 1.817 20 30 FDEDMO C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]nnc3c2)C[C@@H]1n1ccnn1 ZINC001130120966 938703746 /nfs/dbraw/zinc/70/37/46/938703746.db2.gz HMJPCAXEJKDUDU-SJORKVTESA-N 1 1 366.429 1.171 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1n1ccnn1 ZINC001130134194 938708879 /nfs/dbraw/zinc/70/88/79/938708879.db2.gz WYTKVECLXWUNFJ-MOPGFXCFSA-N 1 1 366.469 1.018 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCC(C)C)C[C@@H]1n1ccnn1 ZINC001130150857 938715391 /nfs/dbraw/zinc/71/53/91/938715391.db2.gz CXRBCDBGJZAJHF-OAGGEKHMSA-N 1 1 369.897 1.823 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC2CCCC2)n1 ZINC001130177553 938725065 /nfs/dbraw/zinc/72/50/65/938725065.db2.gz HEMPVKABNPLZMX-HOTGVXAUSA-N 1 1 359.474 1.487 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC2CCCC2)n[nH]1 ZINC001130177553 938725069 /nfs/dbraw/zinc/72/50/69/938725069.db2.gz HEMPVKABNPLZMX-HOTGVXAUSA-N 1 1 359.474 1.487 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C=Cc2ccco2)n1 ZINC001130177656 938725193 /nfs/dbraw/zinc/72/51/93/938725193.db2.gz NDFKNOWPPMJKOT-MIVXPEEVSA-N 1 1 369.425 1.213 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=Cc2ccco2)n[nH]1 ZINC001130177656 938725194 /nfs/dbraw/zinc/72/51/94/938725194.db2.gz NDFKNOWPPMJKOT-MIVXPEEVSA-N 1 1 369.425 1.213 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)s2)[nH]1 ZINC001130177601 938725359 /nfs/dbraw/zinc/72/53/59/938725359.db2.gz JTZIASUFVFBHPY-STQMWFEESA-N 1 1 359.455 1.200 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C)s2)n[nH]1 ZINC001130177601 938725362 /nfs/dbraw/zinc/72/53/62/938725362.db2.gz JTZIASUFVFBHPY-STQMWFEESA-N 1 1 359.455 1.200 20 30 FDEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)F)n1 ZINC001130179333 938726428 /nfs/dbraw/zinc/72/64/28/938726428.db2.gz BHCPIKHJSRVTOS-RDBSUJKOSA-N 1 1 367.469 1.986 20 30 FDEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)(C)F)n[nH]1 ZINC001130179333 938726431 /nfs/dbraw/zinc/72/64/31/938726431.db2.gz BHCPIKHJSRVTOS-RDBSUJKOSA-N 1 1 367.469 1.986 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(F)F)n1 ZINC001130181257 938728503 /nfs/dbraw/zinc/72/85/03/938728503.db2.gz DJNOAZXFVPIDAY-RYUDHWBXSA-N 1 1 357.405 1.504 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)(F)F)n[nH]1 ZINC001130181257 938728505 /nfs/dbraw/zinc/72/85/05/938728505.db2.gz DJNOAZXFVPIDAY-RYUDHWBXSA-N 1 1 357.405 1.504 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccncc2)n1 ZINC001130181586 938728934 /nfs/dbraw/zinc/72/89/34/938728934.db2.gz MFWKDUQLAIQTRY-HOTGVXAUSA-N 1 1 370.457 1.558 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccncc2)n[nH]1 ZINC001130181586 938728937 /nfs/dbraw/zinc/72/89/37/938728937.db2.gz MFWKDUQLAIQTRY-HOTGVXAUSA-N 1 1 370.457 1.558 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCSCC)n1 ZINC001130187074 938732672 /nfs/dbraw/zinc/73/26/72/938732672.db2.gz UGBNYPDHYHXZOT-STQMWFEESA-N 1 1 353.492 1.212 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCSCC)n[nH]1 ZINC001130187074 938732673 /nfs/dbraw/zinc/73/26/73/938732673.db2.gz UGBNYPDHYHXZOT-STQMWFEESA-N 1 1 353.492 1.212 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCOC)[nH]1 ZINC001130187013 938732725 /nfs/dbraw/zinc/73/27/25/938732725.db2.gz RWSOCGKUVGZEQC-STQMWFEESA-N 1 1 371.869 1.062 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccoc2C)[nH]1 ZINC001130187796 938733892 /nfs/dbraw/zinc/73/38/92/938733892.db2.gz JTTBRXBQNJNOKA-GJZGRUSLSA-N 1 1 357.414 1.122 20 30 FDEDMO C=CCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@H](CC)OC)n[nH]1 ZINC001130193400 938738318 /nfs/dbraw/zinc/73/83/18/938738318.db2.gz VYYOGJQEAUIDIV-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@H](CC)OC)n1 ZINC001130193400 938738320 /nfs/dbraw/zinc/73/83/20/938738320.db2.gz VYYOGJQEAUIDIV-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)=CC)[nH]1 ZINC001130195901 938739097 /nfs/dbraw/zinc/73/90/97/938739097.db2.gz ICQXEHGIZYUZHM-HSGAWUPJSA-N 1 1 353.854 1.602 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)on2)n1 ZINC001130182790 938741444 /nfs/dbraw/zinc/74/14/44/938741444.db2.gz BTUKKADRCKYXGR-JSGCOSHPSA-N 1 1 360.418 1.069 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)on2)n[nH]1 ZINC001130182790 938741445 /nfs/dbraw/zinc/74/14/45/938741445.db2.gz BTUKKADRCKYXGR-JSGCOSHPSA-N 1 1 360.418 1.069 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCSC)n1 ZINC001130183095 938742533 /nfs/dbraw/zinc/74/25/33/938742533.db2.gz PQDUPMFKLYGNGR-KBPBESRZSA-N 1 1 367.519 1.602 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCSC)n[nH]1 ZINC001130183095 938742534 /nfs/dbraw/zinc/74/25/34/938742534.db2.gz PQDUPMFKLYGNGR-KBPBESRZSA-N 1 1 367.519 1.602 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c(C)coc2C)n1 ZINC001130207480 938746705 /nfs/dbraw/zinc/74/67/05/938746705.db2.gz CEAPURBOTORYMG-GJZGRUSLSA-N 1 1 371.441 1.430 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c(C)coc2C)n[nH]1 ZINC001130207480 938746706 /nfs/dbraw/zinc/74/67/06/938746706.db2.gz CEAPURBOTORYMG-GJZGRUSLSA-N 1 1 371.441 1.430 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=C(C)CC)[nH]1 ZINC001130207848 938746876 /nfs/dbraw/zinc/74/68/76/938746876.db2.gz SHXOWUGXUZKARY-YYPKPTOCSA-N 1 1 367.881 1.992 20 30 FDEDMO C#CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C/C=C/Cl)n[nH]1 ZINC001130209509 938747617 /nfs/dbraw/zinc/74/76/17/938747617.db2.gz DPNOTUPHWDKQHU-NSDHSQQOSA-N 1 1 365.865 1.439 20 30 FDEDMO C#CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C/C=C/Cl)n1 ZINC001130209509 938747618 /nfs/dbraw/zinc/74/76/18/938747618.db2.gz DPNOTUPHWDKQHU-NSDHSQQOSA-N 1 1 365.865 1.439 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC2CC2)n1 ZINC001130213279 938750369 /nfs/dbraw/zinc/75/03/69/938750369.db2.gz XMGVFTYKTVVWBR-HOTGVXAUSA-N 1 1 357.458 1.263 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC2CC2)n[nH]1 ZINC001130213279 938750373 /nfs/dbraw/zinc/75/03/73/938750373.db2.gz XMGVFTYKTVVWBR-HOTGVXAUSA-N 1 1 357.458 1.263 20 30 FDEDMO C#CCC1(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CC=C)n[nH]2)CCC1 ZINC001130216152 938752762 /nfs/dbraw/zinc/75/27/62/938752762.db2.gz OGPHCIIZBDCWOW-GJZGRUSLSA-N 1 1 357.458 1.263 20 30 FDEDMO C#CCC1(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CC=C)n2)CCC1 ZINC001130216152 938752764 /nfs/dbraw/zinc/75/27/64/938752764.db2.gz OGPHCIIZBDCWOW-GJZGRUSLSA-N 1 1 357.458 1.263 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCC23CC3)[nH]1 ZINC001130221110 938756723 /nfs/dbraw/zinc/75/67/23/938756723.db2.gz VKFBRVBZBJOPGA-KKUMJFAQSA-N 1 1 357.458 1.097 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)n1 ZINC001130223414 938757519 /nfs/dbraw/zinc/75/75/19/938757519.db2.gz SGUOLRYPDGMAAD-YJNKXOJESA-N 1 1 361.490 1.751 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)n[nH]1 ZINC001130223414 938757520 /nfs/dbraw/zinc/75/75/20/938757520.db2.gz SGUOLRYPDGMAAD-YJNKXOJESA-N 1 1 361.490 1.751 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](F)CC)n1 ZINC001130227883 938762123 /nfs/dbraw/zinc/76/21/23/938762123.db2.gz TVSPIJVHELWJHV-IHRRRGAJSA-N 1 1 353.442 1.597 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](F)CC)n[nH]1 ZINC001130227883 938762124 /nfs/dbraw/zinc/76/21/24/938762124.db2.gz TVSPIJVHELWJHV-IHRRRGAJSA-N 1 1 353.442 1.597 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)n1 ZINC001130234648 938765968 /nfs/dbraw/zinc/76/59/68/938765968.db2.gz GCYNBLJIEKGEPN-OTJKEOIZSA-N 1 1 359.474 1.505 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)n[nH]1 ZINC001130234648 938765970 /nfs/dbraw/zinc/76/59/70/938765970.db2.gz GCYNBLJIEKGEPN-OTJKEOIZSA-N 1 1 359.474 1.505 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C)CC=CC2)n1 ZINC001130234775 938766132 /nfs/dbraw/zinc/76/61/32/938766132.db2.gz LAAHVQODLJFYJZ-GJZGRUSLSA-N 1 1 359.474 1.815 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(C)CC=CC2)n[nH]1 ZINC001130234775 938766133 /nfs/dbraw/zinc/76/61/33/938766133.db2.gz LAAHVQODLJFYJZ-GJZGRUSLSA-N 1 1 359.474 1.815 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CF)CC2)n1 ZINC001130235177 938766591 /nfs/dbraw/zinc/76/65/91/938766591.db2.gz WVXLRFZGWHBVOK-STQMWFEESA-N 1 1 351.426 1.209 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(CF)CC2)n[nH]1 ZINC001130235177 938766592 /nfs/dbraw/zinc/76/65/92/938766592.db2.gz WVXLRFZGWHBVOK-STQMWFEESA-N 1 1 351.426 1.209 20 30 FDEDMO C=CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=C)Cl)[nH]1 ZINC001130237877 938767327 /nfs/dbraw/zinc/76/73/27/938767327.db2.gz HTEJXHNUUHLPFY-KBPBESRZSA-N 1 1 367.881 1.992 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2cccc(C)c2)[nH]1 ZINC001130240612 938768477 /nfs/dbraw/zinc/76/84/77/938768477.db2.gz VZZUQUHIDFCPFQ-IRXDYDNUSA-N 1 1 367.453 1.067 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)c(CC)o2)[nH]1 ZINC001130246703 938772232 /nfs/dbraw/zinc/77/22/32/938772232.db2.gz NEKZGYGOSGBYJK-BBRMVZONSA-N 1 1 371.441 1.294 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)c(CC)o2)n[nH]1 ZINC001130246703 938772233 /nfs/dbraw/zinc/77/22/33/938772233.db2.gz NEKZGYGOSGBYJK-BBRMVZONSA-N 1 1 371.441 1.294 20 30 FDEDMO C=C(Cl)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CSC)CC1 ZINC001130269412 938784278 /nfs/dbraw/zinc/78/42/78/938784278.db2.gz OGAOPGLFFKTWOV-CJNGLKHVSA-N 1 1 359.923 1.577 20 30 FDEDMO C=CCCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001130395309 938828869 /nfs/dbraw/zinc/82/88/69/938828869.db2.gz HJWPRBBSAOEAEQ-DAYGRLMNSA-N 1 1 362.474 1.585 20 30 FDEDMO C=CC[C@@H](NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccncc1 ZINC000805815153 938831865 /nfs/dbraw/zinc/83/18/65/938831865.db2.gz KRUWSAWDFUSFIU-QZTJIDSGSA-N 1 1 356.470 1.948 20 30 FDEDMO Cn1ncc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000805995404 938869690 /nfs/dbraw/zinc/86/96/90/938869690.db2.gz CDUIKVBOYGVLMC-UHFFFAOYSA-N 1 1 353.430 1.104 20 30 FDEDMO C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(CC)[nH]n2)C[C@H]1c1cn(C)cn1 ZINC001130502278 938885255 /nfs/dbraw/zinc/88/52/55/938885255.db2.gz FFWUXJKCBYSOOU-MAUKXSAKSA-N 1 1 356.474 1.870 20 30 FDEDMO CC(C)[C@H](C#N)N1CC[NH+](C[C@@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000822784654 945220627 /nfs/dbraw/zinc/22/06/27/945220627.db2.gz DRBCHLOYKMAGLR-HOTGVXAUSA-N 1 1 354.495 1.380 20 30 FDEDMO C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=C)Cl)C1 ZINC001130593200 939900325 /nfs/dbraw/zinc/90/03/25/939900325.db2.gz VESMSRZPFYPFKP-OFQRWUPVSA-N 1 1 350.850 1.095 20 30 FDEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001130656164 939960319 /nfs/dbraw/zinc/96/03/19/939960319.db2.gz BYORIOZDMMQBSP-HLLBOEOZSA-N 1 1 371.489 1.235 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)c2cnccc2N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130714853 940006755 /nfs/dbraw/zinc/00/67/55/940006755.db2.gz MWSRZTAAPYLAEJ-FUHWJXTLSA-N 1 1 368.485 1.655 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccccn3)n[nH]2)O1 ZINC001130749986 940057489 /nfs/dbraw/zinc/05/74/89/940057489.db2.gz XPMQBERWSQBEBF-DZGCQCFKSA-N 1 1 356.430 1.516 20 30 FDEDMO C#CCN(Cc1ccccc1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000806832782 940085044 /nfs/dbraw/zinc/08/50/44/940085044.db2.gz RXRMPESCTRQBEX-GOSISDBHSA-N 1 1 356.470 1.419 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)OC)n[nH]2)O1 ZINC001130765215 940094870 /nfs/dbraw/zinc/09/48/70/940094870.db2.gz HPJXPMJTGLDEEU-MELADBBJSA-N 1 1 351.451 1.232 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)SC)n[nH]2)O1 ZINC001130767608 940102376 /nfs/dbraw/zinc/10/23/76/940102376.db2.gz ONIKHICJMJBDRS-HZSPNIEDSA-N 1 1 367.519 1.948 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)CSC)n[nH]2)O1 ZINC001130772424 940112330 /nfs/dbraw/zinc/11/23/30/940112330.db2.gz MHLLJXNUXIIZGF-MELADBBJSA-N 1 1 365.503 1.253 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COCCCC)n[nH]2)O1 ZINC001130776802 940127304 /nfs/dbraw/zinc/12/73/04/940127304.db2.gz LXLGNHBJWHDYKT-LSDHHAIUSA-N 1 1 365.478 1.623 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COC(C)(C)C)n[nH]2)O1 ZINC001130776996 940127717 /nfs/dbraw/zinc/12/77/17/940127717.db2.gz QELYEFLCGKKQAO-UONOGXRCSA-N 1 1 363.462 1.069 20 30 FDEDMO 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C=C[C@@H](CC)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCO)O2)n1 ZINC001130796424 940152035 /nfs/dbraw/zinc/15/20/35/940152035.db2.gz QSUWYUSCNCOOGA-SOUVJXGZSA-N 1 1 365.478 1.215 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccc(F)c3C)n[nH]2)O1 ZINC001130787297 940155815 /nfs/dbraw/zinc/15/58/15/940155815.db2.gz JVDAGXYAZSWFMO-XJKSGUPXSA-N 1 1 371.416 1.625 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)C(C)(C)C)n[nH]2)O1 ZINC001130790004 940161842 /nfs/dbraw/zinc/16/18/42/940161842.db2.gz CJVXZLMLKRECQF-QLFBSQMISA-N 1 1 361.490 1.936 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)C3CCC3)n[nH]2)O1 ZINC001130792809 940172680 /nfs/dbraw/zinc/17/26/80/940172680.db2.gz ZKNZAORQTDXUHQ-CWRNSKLLSA-N 1 1 359.474 1.690 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CCC(C)(C)C3)n[nH]2)O1 ZINC001130807269 940182958 /nfs/dbraw/zinc/18/29/58/940182958.db2.gz VRXWOQGBDCQPTL-SOUVJXGZSA-N 1 1 359.474 1.690 20 30 FDEDMO 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N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@H](N4CCNC4=O)C3)C2=O)cc1 ZINC000377359846 791626443 /nfs/dbraw/zinc/62/64/43/791626443.db2.gz VZOXREQPIWNIDO-IRXDYDNUSA-N 1 1 353.426 1.153 20 30 FDEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCc4occc4C3)CC2)o1 ZINC000377522769 792087850 /nfs/dbraw/zinc/08/78/50/792087850.db2.gz GIANQHBMRGGTPS-UHFFFAOYSA-N 1 1 369.425 1.545 20 30 FDEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCCc4occc4C3)CC2)o1 ZINC000377522769 792087864 /nfs/dbraw/zinc/08/78/64/792087864.db2.gz GIANQHBMRGGTPS-UHFFFAOYSA-N 1 1 369.425 1.545 20 30 FDEDMO CCCN1CC[NH+](C2CCN(C(=O)COc3ccccc3C#N)CC2)CC1 ZINC000377594547 792290923 /nfs/dbraw/zinc/29/09/23/792290923.db2.gz XQMAQYAAZMHDHO-UHFFFAOYSA-N 1 1 370.497 1.956 20 30 FDEDMO C#CCOc1ccccc1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000893000890 792412881 /nfs/dbraw/zinc/41/28/81/792412881.db2.gz JSOYLRLBRFHHKY-ZWKOTPCHSA-N 1 1 357.454 1.439 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccco2)C[C@H]1C(F)(F)F ZINC001112037595 792434863 /nfs/dbraw/zinc/43/48/63/792434863.db2.gz FJBWADUHQUAQDP-IJLUTSLNSA-N 1 1 357.332 1.010 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccco2)C[C@H]1C(F)(F)F ZINC001112037614 792439556 /nfs/dbraw/zinc/43/95/56/792439556.db2.gz GOKOPAFORAPBFL-IJLUTSLNSA-N 1 1 359.348 1.563 20 30 FDEDMO C[NH+]1CCN([C@H](C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c2ccccc2)CC1 ZINC000377666561 792459868 /nfs/dbraw/zinc/45/98/68/792459868.db2.gz DRKUKBLPPGTSCA-PMACEKPBSA-N 1 1 367.497 1.174 20 30 FDEDMO C#CC[C@]1(C(=O)NCC[N@H+](C)CCOC)CCCN1C(=O)OC(C)(C)C ZINC000377679704 792500196 /nfs/dbraw/zinc/50/01/96/792500196.db2.gz OZLSQXJAUQIOSO-LJQANCHMSA-N 1 1 367.490 1.474 20 30 FDEDMO C[C@@H](O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001087425255 806214753 /nfs/dbraw/zinc/21/47/53/806214753.db2.gz MSKWYAZYQMYOAU-NIKGAXFTSA-N 1 1 352.438 1.855 20 30 FDEDMO C[N@@H+]1C[C@H]2[C@@H](CCN2CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000644734743 793073491 /nfs/dbraw/zinc/07/34/91/793073491.db2.gz UOCCERJFBONBJH-RDJZCZTQSA-N 1 1 365.399 1.809 20 30 FDEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC=CCC2)C[C@H]1C(F)(F)F ZINC001112043671 793241597 /nfs/dbraw/zinc/24/15/97/793241597.db2.gz JAQJILVLCCKMOX-BFHYXJOUSA-N 1 1 359.392 1.624 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001026096227 793284640 /nfs/dbraw/zinc/28/46/40/793284640.db2.gz ZMQMIJJYYDUXBK-SOMFZHDCSA-N 1 1 361.486 1.025 20 30 FDEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3C(=O)Nc4ccccc43)[C@H]2C1 ZINC001083290019 793307909 /nfs/dbraw/zinc/30/79/09/793307909.db2.gz CTSCMHVJDWTMQY-BPQIPLTHSA-N 1 1 355.438 1.600 20 30 FDEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2)C[C@H]1C(F)(F)F ZINC001112046695 793529822 /nfs/dbraw/zinc/52/98/22/793529822.db2.gz KQGRZCGUIPXVCA-ZIAGYGMSSA-N 1 1 370.375 1.285 20 30 FDEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000378128140 793550500 /nfs/dbraw/zinc/55/05/00/793550500.db2.gz SSTNVSGFZJCVBF-OWCLPIDISA-N 1 1 369.473 1.195 20 30 FDEDMO CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1C#N ZINC000378206227 793708478 /nfs/dbraw/zinc/70/84/78/793708478.db2.gz YNXBSSSHVVTHEM-QGZVFWFLSA-N 1 1 370.453 1.981 20 30 FDEDMO C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001087426181 806335528 /nfs/dbraw/zinc/33/55/28/806335528.db2.gz PNUPYHBISDLHBZ-SJLPKXTDSA-N 1 1 351.454 1.614 20 30 FDEDMO C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001087426267 806336771 /nfs/dbraw/zinc/33/67/71/806336771.db2.gz UUBLTWICVMDASE-IAGOWNOFSA-N 1 1 353.422 1.590 20 30 FDEDMO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000416677248 794526825 /nfs/dbraw/zinc/52/68/25/794526825.db2.gz DHDUMOHOZCRSMQ-MSOLQXFVSA-N 1 1 369.469 1.575 20 30 FDEDMO CN1C[C@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CCN2C1=O ZINC000365823931 794576650 /nfs/dbraw/zinc/57/66/50/794576650.db2.gz XOOYUBRUKRKYAK-LBPRGKRZSA-N 1 1 373.482 1.489 20 30 FDEDMO CN1C[C@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CCN2C1=O ZINC000365823931 794576658 /nfs/dbraw/zinc/57/66/58/794576658.db2.gz XOOYUBRUKRKYAK-LBPRGKRZSA-N 1 1 373.482 1.489 20 30 FDEDMO C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCN(CC=C)C2=O)C1 ZINC001112068166 794645384 /nfs/dbraw/zinc/64/53/84/794645384.db2.gz LZZWUSFMTZJKNH-HZSPNIEDSA-N 1 1 359.392 1.718 20 30 FDEDMO C=C(Cl)CNCc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nn1 ZINC001105244080 795533990 /nfs/dbraw/zinc/53/39/90/795533990.db2.gz PCSREIYZGVVPHA-JKSUJKDBSA-N 1 1 366.897 1.234 20 30 FDEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C(=O)NCC(=O)OC)cc1OC ZINC000418123651 795543313 /nfs/dbraw/zinc/54/33/13/795543313.db2.gz LKTFBUPBPMLMNG-OAHLLOKOSA-N 1 1 362.426 1.514 20 30 FDEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCC(=O)OC)cc1OC ZINC000418123651 795543316 /nfs/dbraw/zinc/54/33/16/795543316.db2.gz LKTFBUPBPMLMNG-OAHLLOKOSA-N 1 1 362.426 1.514 20 30 FDEDMO C#CC[N@H+](C)CCCNC(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1 ZINC000296711842 795556944 /nfs/dbraw/zinc/55/69/44/795556944.db2.gz BMBBGUQAIJADNE-ZWKOTPCHSA-N 1 1 373.453 1.245 20 30 FDEDMO C=CCN(C(=O)NCCC(=O)N(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364283378 795593237 /nfs/dbraw/zinc/59/32/37/795593237.db2.gz RRCFJADMQDWMMK-SFHVURJKSA-N 1 1 358.486 1.937 20 30 FDEDMO CC1(C)CC(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001112092942 795735200 /nfs/dbraw/zinc/73/52/00/795735200.db2.gz UKIFFDZHNUFJJD-VXGBXAGGSA-N 1 1 360.380 1.041 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000979967822 806637642 /nfs/dbraw/zinc/63/76/42/806637642.db2.gz ONMNSTJMZOVOOZ-SIRBJWHBSA-N 1 1 371.525 1.921 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000979967822 806637647 /nfs/dbraw/zinc/63/76/47/806637647.db2.gz ONMNSTJMZOVOOZ-SIRBJWHBSA-N 1 1 371.525 1.921 20 30 FDEDMO N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cnns4)[C@@H]3C2)cc1 ZINC001075584280 806679160 /nfs/dbraw/zinc/67/91/60/806679160.db2.gz WSZKXPBRYZJJGJ-GOEBONIOSA-N 1 1 369.450 1.787 20 30 FDEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cnns4)[C@@H]3C2)cc1 ZINC001075584280 806679165 /nfs/dbraw/zinc/67/91/65/806679165.db2.gz WSZKXPBRYZJJGJ-GOEBONIOSA-N 1 1 369.450 1.787 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC1(C)C ZINC000974587803 799851061 /nfs/dbraw/zinc/85/10/61/799851061.db2.gz MQRXVSYYQVTLAS-IXDOHACOSA-N 1 1 363.502 1.415 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)CC1(C)C ZINC000974587803 799851071 /nfs/dbraw/zinc/85/10/71/799851071.db2.gz MQRXVSYYQVTLAS-IXDOHACOSA-N 1 1 363.502 1.415 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3(C)CCCC3)[C@@H]2C1 ZINC000974619539 799946994 /nfs/dbraw/zinc/94/69/94/799946994.db2.gz RHVMSVSOGQWJJX-FGTMMUONSA-N 1 1 357.498 1.724 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3(C)CCCC3)[C@@H]2C1 ZINC000974619539 799946995 /nfs/dbraw/zinc/94/69/95/799946995.db2.gz RHVMSVSOGQWJJX-FGTMMUONSA-N 1 1 357.498 1.724 20 30 FDEDMO C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C[N@@H+]4CCC[C@@H]4C)C[C@H]32)cn1 ZINC000974671222 800040729 /nfs/dbraw/zinc/04/07/29/800040729.db2.gz QJSZIXXQCCMMHK-KVSKMBFKSA-N 1 1 366.465 1.220 20 30 FDEDMO C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC#Cc2ccc(F)cc2)C1 ZINC001027889021 806816370 /nfs/dbraw/zinc/81/63/70/806816370.db2.gz IMKPCQDMDAQJKN-ATZDWAIDSA-N 1 1 371.456 1.673 20 30 FDEDMO C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC#Cc2ccc(F)cc2)C1 ZINC001027889021 806816376 /nfs/dbraw/zinc/81/63/76/806816376.db2.gz IMKPCQDMDAQJKN-ATZDWAIDSA-N 1 1 371.456 1.673 20 30 FDEDMO C#Cc1cncc(C(=O)N2C[C@H]3CCN(C(=O)C[N@@H+]4CC[C@H](C)C4)C[C@H]32)c1 ZINC000975073987 800865553 /nfs/dbraw/zinc/86/55/53/800865553.db2.gz QJQJKCFUISUCSJ-KVSKMBFKSA-N 1 1 366.465 1.078 20 30 FDEDMO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC001087429192 806876819 /nfs/dbraw/zinc/87/68/19/806876819.db2.gz XOMFAWFQJKSODF-XUVXKRRUSA-N 1 1 367.493 1.851 20 30 FDEDMO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC001087429192 806876825 /nfs/dbraw/zinc/87/68/25/806876825.db2.gz XOMFAWFQJKSODF-XUVXKRRUSA-N 1 1 367.493 1.851 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C[N@@H+]4CC[C@H](C)C4)[C@@H]3C2)nc1 ZINC000975221314 801020547 /nfs/dbraw/zinc/02/05/47/801020547.db2.gz IPVUIXFBAABDED-KVSKMBFKSA-N 1 1 366.465 1.078 20 30 FDEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@]23C[C@H]2COC3)cc1 ZINC001027896018 806885667 /nfs/dbraw/zinc/88/56/67/806885667.db2.gz FKVRZZZIPCNSKN-ZWOKBUDYSA-N 1 1 355.438 1.706 20 30 FDEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000975313062 801162874 /nfs/dbraw/zinc/16/28/74/801162874.db2.gz YDPZCUDNMIMSJI-IJEWVQPXSA-N 1 1 357.458 1.195 20 30 FDEDMO C=CCCC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3nnn(C)n3)C2)CC1 ZINC001112524450 801460093 /nfs/dbraw/zinc/46/00/93/801460093.db2.gz OWHGWJMOPMVJSB-KXBFYZLASA-N 1 1 358.490 1.675 20 30 FDEDMO 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CN1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)CC1=O ZINC001075960091 842844336 /nfs/dbraw/zinc/84/43/36/842844336.db2.gz VLSMPYLGZNZMNK-AYOQOUSVSA-N 1 1 366.465 1.459 20 30 FDEDMO CN1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)CC1=O ZINC001075960091 842844343 /nfs/dbraw/zinc/84/43/43/842844343.db2.gz VLSMPYLGZNZMNK-AYOQOUSVSA-N 1 1 366.465 1.459 20 30 FDEDMO C=C(C)Cn1c(C2CC2)nnc1N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000460813141 842854537 /nfs/dbraw/zinc/85/45/37/842854537.db2.gz KPDPNIWHWHRLFT-UHFFFAOYSA-N 1 1 368.489 1.914 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C)c(C)n3)[C@H]2C)C1=O ZINC001088749121 842885674 /nfs/dbraw/zinc/88/56/74/842885674.db2.gz PBGVKTJNDGLZMB-RYRKJORJSA-N 1 1 356.470 1.678 20 30 FDEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(C)c(C)n3)[C@H]2C)C1=O ZINC001088749121 842885683 /nfs/dbraw/zinc/88/56/83/842885683.db2.gz PBGVKTJNDGLZMB-RYRKJORJSA-N 1 1 356.470 1.678 20 30 FDEDMO N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000461959262 843252508 /nfs/dbraw/zinc/25/25/08/843252508.db2.gz NNACYEFZDPVNAH-VJANTYMQSA-N 1 1 356.470 1.861 20 30 FDEDMO N#C[C@@H]1CCC[C@H]1NC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000461968742 843265457 /nfs/dbraw/zinc/26/54/57/843265457.db2.gz VVOOOSNABBHETG-FUHWJXTLSA-N 1 1 356.474 1.585 20 30 FDEDMO COCC1(C#N)CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000477821036 843383846 /nfs/dbraw/zinc/38/38/46/843383846.db2.gz QNCXGAGOAOZVJK-HOTGVXAUSA-N 1 1 366.506 1.836 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@@H]2O)CC[N@H+]1C ZINC001083474410 843430571 /nfs/dbraw/zinc/43/05/71/843430571.db2.gz FTZUSQJNMFOTDC-AITUJVMLSA-N 1 1 374.460 1.089 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3cc(F)ccc3C#N)C[C@@H]2O)CC[N@H+]1C ZINC001083474735 843444674 /nfs/dbraw/zinc/44/46/74/843444674.db2.gz XXXRUOSZRWRKCD-MANSERQUSA-N 1 1 374.460 1.089 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(C4CC4)on3)[C@H]2C)C1=O ZINC001088778615 843769532 /nfs/dbraw/zinc/76/95/32/843769532.db2.gz LVWJPOIPXWNVJV-INWMFGNUSA-N 1 1 358.442 1.532 20 30 FDEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C4CC4)on3)[C@H]2C)C1=O ZINC001088778615 843769543 /nfs/dbraw/zinc/76/95/43/843769543.db2.gz LVWJPOIPXWNVJV-INWMFGNUSA-N 1 1 358.442 1.532 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C)C2=O)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001088804297 844674631 /nfs/dbraw/zinc/67/46/31/844674631.db2.gz PIFMTWBSGAXDJV-OLMNPRSZSA-N 1 1 370.453 1.146 20 30 FDEDMO Cc1c(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cnn1CCC#N ZINC000898667129 844991355 /nfs/dbraw/zinc/99/13/55/844991355.db2.gz VCFQQODGDQKWRZ-GOSISDBHSA-N 1 1 367.453 1.602 20 30 FDEDMO CN1CC[N@@H+](C)CC(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)C1 ZINC000913162251 861607416 /nfs/dbraw/zinc/60/74/16/861607416.db2.gz HLTTVBRQHQHRMO-UHFFFAOYSA-N 1 1 356.470 1.174 20 30 FDEDMO C#CCC[NH+]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 ZINC000151170322 861628131 /nfs/dbraw/zinc/62/81/31/861628131.db2.gz QFKIKWRNGVJAQU-UHFFFAOYSA-N 1 1 352.438 1.835 20 30 FDEDMO O=C1C[C@H]([NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C(=O)N1 ZINC000899249122 845994402 /nfs/dbraw/zinc/99/44/02/845994402.db2.gz ULXQMYHELUKXJA-PBXRRBTRSA-N 1 1 366.208 1.504 20 30 FDEDMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)cn3)[C@H]2C)cc1C#N ZINC001088823661 846377703 /nfs/dbraw/zinc/37/77/03/846377703.db2.gz YEBHIFJJZTVITB-DOMZBBRYSA-N 1 1 367.409 1.043 20 30 FDEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)cn3)[C@H]2C)cc1C#N ZINC001088823661 846377708 /nfs/dbraw/zinc/37/77/08/846377708.db2.gz YEBHIFJJZTVITB-DOMZBBRYSA-N 1 1 367.409 1.043 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088823822 846381783 /nfs/dbraw/zinc/38/17/83/846381783.db2.gz FHZDUIILKYTQHR-XYPHTWIQSA-N 1 1 364.453 1.875 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3n[nH]nc32)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001088823822 846381788 /nfs/dbraw/zinc/38/17/88/846381788.db2.gz FHZDUIILKYTQHR-XYPHTWIQSA-N 1 1 364.453 1.875 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3n[nH]nc32)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088823822 846381795 /nfs/dbraw/zinc/38/17/95/846381795.db2.gz FHZDUIILKYTQHR-XYPHTWIQSA-N 1 1 364.453 1.875 20 30 FDEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001083525730 846388905 /nfs/dbraw/zinc/38/89/05/846388905.db2.gz JABDMQYBTHGTON-QUCCMNQESA-N 1 1 367.449 1.679 20 30 FDEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001083525730 846388920 /nfs/dbraw/zinc/38/89/20/846388920.db2.gz JABDMQYBTHGTON-QUCCMNQESA-N 1 1 367.449 1.679 20 30 FDEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2sc(C)nc2C)C[C@@H]1O ZINC001083526078 846394204 /nfs/dbraw/zinc/39/42/04/846394204.db2.gz ZYFRCUWCBWUFKH-ZBFHGGJFSA-N 1 1 360.483 1.723 20 30 FDEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2sc(C)nc2C)C[C@@H]1O ZINC001083526078 846394212 /nfs/dbraw/zinc/39/42/12/846394212.db2.gz ZYFRCUWCBWUFKH-ZBFHGGJFSA-N 1 1 360.483 1.723 20 30 FDEDMO Cn1ccnc1CCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC001076078185 847198782 /nfs/dbraw/zinc/19/87/82/847198782.db2.gz RILPUJXVFVPIQZ-RBUKOAKNSA-N 1 1 363.465 1.957 20 30 FDEDMO Cn1c(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)c[nH]c1=O ZINC001076132098 847375233 /nfs/dbraw/zinc/37/52/33/847375233.db2.gz UHACGUWUSGISBG-WMLDXEAASA-N 1 1 369.400 1.483 20 30 FDEDMO Cn1c(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)c[nH]c1=O ZINC001076132098 847375238 /nfs/dbraw/zinc/37/52/38/847375238.db2.gz UHACGUWUSGISBG-WMLDXEAASA-N 1 1 369.400 1.483 20 30 FDEDMO CN1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)C1=O ZINC001076151199 847395637 /nfs/dbraw/zinc/39/56/37/847395637.db2.gz LEKGVSDDCCSRTM-VBNZEHGJSA-N 1 1 358.467 1.131 20 30 FDEDMO CN1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)C1=O ZINC001076151199 847395648 /nfs/dbraw/zinc/39/56/48/847395648.db2.gz LEKGVSDDCCSRTM-VBNZEHGJSA-N 1 1 358.467 1.131 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4cnoc4)[C@@H]3C2)cc1F ZINC001076162639 847454081 /nfs/dbraw/zinc/45/40/81/847454081.db2.gz MKGSGCTXQASIBW-FUHWJXTLSA-N 1 1 354.385 1.961 20 30 FDEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cc4cnoc4)[C@@H]3C2)cc1F ZINC001076162639 847454083 /nfs/dbraw/zinc/45/40/83/847454083.db2.gz MKGSGCTXQASIBW-FUHWJXTLSA-N 1 1 354.385 1.961 20 30 FDEDMO N#Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@]4(F)CCOC4)[C@@H]3C2)ccc1F ZINC001076171984 847463063 /nfs/dbraw/zinc/46/30/63/847463063.db2.gz VIPNJZDDQOYOST-YJLNNSPDSA-N 1 1 361.392 1.859 20 30 FDEDMO N#Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@]4(F)CCOC4)[C@@H]3C2)ccc1F ZINC001076171984 847463065 /nfs/dbraw/zinc/46/30/65/847463065.db2.gz VIPNJZDDQOYOST-YJLNNSPDSA-N 1 1 361.392 1.859 20 30 FDEDMO Cn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)[nH]c1=O ZINC001076207814 847563774 /nfs/dbraw/zinc/56/37/74/847563774.db2.gz QRIXPQYUWLTVFS-SUMWQHHRSA-N 1 1 369.400 1.483 20 30 FDEDMO Cn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)[nH]c1=O ZINC001076207814 847563780 /nfs/dbraw/zinc/56/37/80/847563780.db2.gz QRIXPQYUWLTVFS-SUMWQHHRSA-N 1 1 369.400 1.483 20 30 FDEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(OC)n4)C[C@H]32)c1 ZINC001076223389 847592262 /nfs/dbraw/zinc/59/22/62/847592262.db2.gz WVHMDVKSVQUIMS-QFBILLFUSA-N 1 1 362.433 1.813 20 30 FDEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(OC)n4)C[C@H]32)c1 ZINC001076223389 847592267 /nfs/dbraw/zinc/59/22/67/847592267.db2.gz WVHMDVKSVQUIMS-QFBILLFUSA-N 1 1 362.433 1.813 20 30 FDEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076242368 847663956 /nfs/dbraw/zinc/66/39/56/847663956.db2.gz BHENPRVURRZDSX-HLAWJBBLSA-N 1 1 351.494 1.913 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@H]21 ZINC001076263682 847721793 /nfs/dbraw/zinc/72/17/93/847721793.db2.gz OKKSKPWMBIJANL-SFUIVIKGSA-N 1 1 368.437 1.847 20 30 FDEDMO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000482372963 847840972 /nfs/dbraw/zinc/84/09/72/847840972.db2.gz WPNQQFCHVWLUOZ-GFCCVEGCSA-N 1 1 373.438 1.325 20 30 FDEDMO Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(OCC#N)cc4)C[C@H]32)n1 ZINC001076342320 847914194 /nfs/dbraw/zinc/91/41/94/847914194.db2.gz GZDNAEXRNRODAG-FUHWJXTLSA-N 1 1 365.437 1.967 20 30 FDEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ncccn4)[C@@H]3C2)cc1 ZINC001076385136 848005297 /nfs/dbraw/zinc/00/52/97/848005297.db2.gz JEMOAJBTLHFUJP-FUHWJXTLSA-N 1 1 363.421 1.725 20 30 FDEDMO CCCn1cc(C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)nn1 ZINC001076408437 848053914 /nfs/dbraw/zinc/05/39/14/848053914.db2.gz OBWGLKOJCOAKJF-AZUAARDMSA-N 1 1 363.465 1.886 20 30 FDEDMO CCCn1cc(C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)nn1 ZINC001076408437 848053920 /nfs/dbraw/zinc/05/39/20/848053920.db2.gz OBWGLKOJCOAKJF-AZUAARDMSA-N 1 1 363.465 1.886 20 30 FDEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C#N)C2CCCCC2)CC1=O ZINC000482477983 848062525 /nfs/dbraw/zinc/06/25/25/848062525.db2.gz MRDGJRGAGWWECZ-KURKYZTESA-N 1 1 360.502 1.908 20 30 FDEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4ncc[nH]4)[C@@H]3C2)cc1 ZINC001076402321 848064709 /nfs/dbraw/zinc/06/47/09/848064709.db2.gz OYASDTYNJBIPIQ-FUHWJXTLSA-N 1 1 365.437 1.587 20 30 FDEDMO COc1ncc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)cn1 ZINC001076424816 848107297 /nfs/dbraw/zinc/10/72/97/848107297.db2.gz OMTHYAPSOMEIJY-FUHWJXTLSA-N 1 1 363.421 1.703 20 30 FDEDMO C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076443820 848130124 /nfs/dbraw/zinc/13/01/24/848130124.db2.gz ZYDOPPAAZCXHHM-YSIASYRMSA-N 1 1 365.477 1.439 20 30 FDEDMO C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076443820 848130130 /nfs/dbraw/zinc/13/01/30/848130130.db2.gz ZYDOPPAAZCXHHM-YSIASYRMSA-N 1 1 365.477 1.439 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(OC)ccn4)C[C@H]32)nc1 ZINC001076475937 848239704 /nfs/dbraw/zinc/23/97/04/848239704.db2.gz MYLSFHFDVTVKKR-OXJNMPFZSA-N 1 1 362.433 1.813 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(OC)ccn4)C[C@H]32)nc1 ZINC001076475937 848239711 /nfs/dbraw/zinc/23/97/11/848239711.db2.gz MYLSFHFDVTVKKR-OXJNMPFZSA-N 1 1 362.433 1.813 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCN(C(C)C)C4=O)C[C@H]32)nc1 ZINC001076476013 848240011 /nfs/dbraw/zinc/24/00/11/848240011.db2.gz QKVVZNMWXCELBH-QXAKKESOSA-N 1 1 366.465 1.219 20 30 FDEDMO CN1C(=O)CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001076514300 848332926 /nfs/dbraw/zinc/33/29/26/848332926.db2.gz ARHXNEMXXMBNON-GBESFXJTSA-N 1 1 366.465 1.602 20 30 FDEDMO CN1C(=O)CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001076514300 848332936 /nfs/dbraw/zinc/33/29/36/848332936.db2.gz ARHXNEMXXMBNON-GBESFXJTSA-N 1 1 366.465 1.602 20 30 FDEDMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCc3c(CC#N)cccc3C2)C1 ZINC000913342226 861901000 /nfs/dbraw/zinc/90/10/00/861901000.db2.gz CBIAWGPIVHUMPV-GOSISDBHSA-N 1 1 369.465 1.912 20 30 FDEDMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCc3c(CC#N)cccc3C2)C1 ZINC000913342226 861901003 /nfs/dbraw/zinc/90/10/03/861901003.db2.gz CBIAWGPIVHUMPV-GOSISDBHSA-N 1 1 369.465 1.912 20 30 FDEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccc(F)c(C#N)c4)C[C@H]32)C1 ZINC001076569205 848466158 /nfs/dbraw/zinc/46/61/58/848466158.db2.gz NOXLPNVDSXMXHF-FRQCXROJSA-N 1 1 356.445 1.682 20 30 FDEDMO CN1C[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)CCC1=O ZINC001076609446 848563115 /nfs/dbraw/zinc/56/31/15/848563115.db2.gz LHLZCEBCMNOTTO-GBESFXJTSA-N 1 1 366.465 1.459 20 30 FDEDMO CN1C[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)CCC1=O ZINC001076609446 848563116 /nfs/dbraw/zinc/56/31/16/848563116.db2.gz LHLZCEBCMNOTTO-GBESFXJTSA-N 1 1 366.465 1.459 20 30 FDEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4ccnc4)[C@@H]3C2)cc1 ZINC001076632517 848616717 /nfs/dbraw/zinc/61/67/17/848616717.db2.gz DEXOYUPGTMPTIS-PKOBYXMFSA-N 1 1 365.437 1.518 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001076725200 848851286 /nfs/dbraw/zinc/85/12/86/848851286.db2.gz IFHRWVNFCMONIS-BQFCYCMXSA-N 1 1 353.507 1.711 20 30 FDEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CC3CCC(F)(F)CC3)C[C@H]2O)c1 ZINC001076855686 849213886 /nfs/dbraw/zinc/21/38/86/849213886.db2.gz HVPPHZCVJJMCRB-HUUCEWRRSA-N 1 1 352.385 1.487 20 30 FDEDMO Cc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c1 ZINC001076890053 849286432 /nfs/dbraw/zinc/28/64/32/849286432.db2.gz HGSUQCUXCCLRIV-QZTJIDSGSA-N 1 1 354.410 1.049 20 30 FDEDMO Cc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c1 ZINC001076890053 849286440 /nfs/dbraw/zinc/28/64/40/849286440.db2.gz HGSUQCUXCCLRIV-QZTJIDSGSA-N 1 1 354.410 1.049 20 30 FDEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccoc3)C2)cc1 ZINC001076919412 849318278 /nfs/dbraw/zinc/31/82/78/849318278.db2.gz LDYZXIKEFFJPDW-QZTJIDSGSA-N 1 1 355.394 1.086 20 30 FDEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccoc3)C2)cc1 ZINC001076919412 849318289 /nfs/dbraw/zinc/31/82/89/849318289.db2.gz LDYZXIKEFFJPDW-QZTJIDSGSA-N 1 1 355.394 1.086 20 30 FDEDMO C[C@H]1OCC[C@H]1[N@H+](CCO)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000483278872 849432731 /nfs/dbraw/zinc/43/27/31/849432731.db2.gz JZGSWQMAMCXWQQ-RHSMWYFYSA-N 1 1 369.425 1.154 20 30 FDEDMO C[C@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000483278872 849432733 /nfs/dbraw/zinc/43/27/33/849432733.db2.gz JZGSWQMAMCXWQQ-RHSMWYFYSA-N 1 1 369.425 1.154 20 30 FDEDMO CC(C)Cc1ncc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)[nH]1 ZINC001076994660 849511719 /nfs/dbraw/zinc/51/17/19/849511719.db2.gz OLLAAGPMOCRYMA-QZTJIDSGSA-N 1 1 367.453 1.455 20 30 FDEDMO CC(C)Cc1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)[nH]1 ZINC001076994660 849511752 /nfs/dbraw/zinc/51/17/52/849511752.db2.gz OLLAAGPMOCRYMA-QZTJIDSGSA-N 1 1 367.453 1.455 20 30 FDEDMO CNC(=O)C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000483412986 849554721 /nfs/dbraw/zinc/55/47/21/849554721.db2.gz TXONXYSGGPRRBR-SFHVURJKSA-N 1 1 371.462 1.799 20 30 FDEDMO CNC(=O)C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000483412984 849555076 /nfs/dbraw/zinc/55/50/76/849555076.db2.gz TXONXYSGGPRRBR-GOSISDBHSA-N 1 1 371.462 1.799 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001077022172 849561229 /nfs/dbraw/zinc/56/12/29/849561229.db2.gz NVUKSRWJUGIONC-UAGQMJEPSA-N 1 1 351.491 1.463 20 30 FDEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC001077016359 849567482 /nfs/dbraw/zinc/56/74/82/849567482.db2.gz LARIIRUKQZVUPA-UAFMIMERSA-N 1 1 358.482 1.934 20 30 FDEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O ZINC001077092363 849731410 /nfs/dbraw/zinc/73/14/10/849731410.db2.gz QJTHFMQSTVZGTM-IXDOHACOSA-N 1 1 362.499 1.155 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001077125128 849866256 /nfs/dbraw/zinc/86/62/56/849866256.db2.gz OLALVUBSLXUGKG-KANFNMMFSA-N 1 1 368.481 1.294 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001077125128 849866264 /nfs/dbraw/zinc/86/62/64/849866264.db2.gz OLALVUBSLXUGKG-KANFNMMFSA-N 1 1 368.481 1.294 20 30 FDEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CCc2scnc2C)C[C@H]1O ZINC001077138351 849869426 /nfs/dbraw/zinc/86/94/26/849869426.db2.gz FNMQEIMRHUIPRK-GDBMZVCRSA-N 1 1 360.483 1.457 20 30 FDEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CCC)cc2)C[C@H]1O ZINC001077159230 849955419 /nfs/dbraw/zinc/95/54/19/849955419.db2.gz UPDWUJCNNRBZEG-QHAWAJNXSA-N 1 1 369.509 1.398 20 30 FDEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc4n(n3)CCCC4)C2)cc1 ZINC001077194811 850045113 /nfs/dbraw/zinc/04/51/13/850045113.db2.gz VRJOIKBZBGJRGR-RTBURBONSA-N 1 1 365.437 1.066 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc4n(n3)CCCC4)C2)cc1 ZINC001077194811 850045125 /nfs/dbraw/zinc/04/51/25/850045125.db2.gz VRJOIKBZBGJRGR-RTBURBONSA-N 1 1 365.437 1.066 20 30 FDEDMO COCc1cccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)c1 ZINC001077322931 850561293 /nfs/dbraw/zinc/56/12/93/850561293.db2.gz OZJAKKZASRCAQD-WOJBJXKFSA-N 1 1 365.433 1.680 20 30 FDEDMO COCc1cccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)c1 ZINC001077322931 850561296 /nfs/dbraw/zinc/56/12/96/850561296.db2.gz OZJAKKZASRCAQD-WOJBJXKFSA-N 1 1 365.433 1.680 20 30 FDEDMO CC(C)N1CC[NH+](CCC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000913478470 862207706 /nfs/dbraw/zinc/20/77/06/862207706.db2.gz INXUPEBGVRADND-UHFFFAOYSA-N 1 1 369.513 1.623 20 30 FDEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3(C4CC4)CCC3)[C@@H](O)C2)cc1 ZINC001083675092 862265108 /nfs/dbraw/zinc/26/51/08/862265108.db2.gz LPKMHFPRMCVKOP-MOPGFXCFSA-N 1 1 369.465 1.831 20 30 FDEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](NC(=O)C3(C4CC4)CCC3)[C@@H](O)C2)cc1 ZINC001083675092 862265126 /nfs/dbraw/zinc/26/51/26/862265126.db2.gz LPKMHFPRMCVKOP-MOPGFXCFSA-N 1 1 369.465 1.831 20 30 FDEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000668494191 852296819 /nfs/dbraw/zinc/29/68/19/852296819.db2.gz MRMQZWYAYKZMLD-QGZVFWFLSA-N 1 1 355.482 1.976 20 30 FDEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000668494191 852296836 /nfs/dbraw/zinc/29/68/36/852296836.db2.gz MRMQZWYAYKZMLD-QGZVFWFLSA-N 1 1 355.482 1.976 20 30 FDEDMO COc1ncc(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)cc1C#N ZINC000906146643 852646929 /nfs/dbraw/zinc/64/69/29/852646929.db2.gz BTMZMWFJBANVRB-JKSUJKDBSA-N 1 1 354.414 1.369 20 30 FDEDMO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1OC ZINC001212143838 862410645 /nfs/dbraw/zinc/41/06/45/862410645.db2.gz RUBINEXZACQGBQ-QZTJIDSGSA-N 1 1 357.454 1.295 20 30 FDEDMO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1OC ZINC001212143838 862410650 /nfs/dbraw/zinc/41/06/50/862410650.db2.gz RUBINEXZACQGBQ-QZTJIDSGSA-N 1 1 357.454 1.295 20 30 FDEDMO Cc1cc(C#N)cc(C)c1CC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000906503861 852972364 /nfs/dbraw/zinc/97/23/64/852972364.db2.gz BJDNEZRXZKGBCK-IBGZPJMESA-N 1 1 370.497 1.777 20 30 FDEDMO CN1CC[N@@H+](C)CC(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000906567856 853027093 /nfs/dbraw/zinc/02/70/93/853027093.db2.gz XXDNTZZIWQXCJI-UHFFFAOYSA-N 1 1 356.470 1.421 20 30 FDEDMO Cc1cc(C#N)cc(C)c1CC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000906706701 853192853 /nfs/dbraw/zinc/19/28/53/853192853.db2.gz ALMHJEZOBSPBGV-LJQANCHMSA-N 1 1 354.498 1.956 20 30 FDEDMO CC[C@H](C#N)Oc1cc(CNC(=O)C2CN(C)CC[N@@H+](C)C2)ccc1OC ZINC000906692978 853221571 /nfs/dbraw/zinc/22/15/71/853221571.db2.gz UWEOHGUURHGBHO-QGZVFWFLSA-N 1 1 374.485 1.486 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cccn4nccc34)[C@@H](O)C2)cc1 ZINC001083603373 853450541 /nfs/dbraw/zinc/45/05/41/853450541.db2.gz SXPSPZMOTYKANN-MJGOQNOKSA-N 1 1 361.405 1.181 20 30 FDEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cccn4nccc34)[C@@H](O)C2)cc1 ZINC001083603373 853450544 /nfs/dbraw/zinc/45/05/44/853450544.db2.gz SXPSPZMOTYKANN-MJGOQNOKSA-N 1 1 361.405 1.181 20 30 FDEDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Br)c(C#N)c2)C1 ZINC000906933102 853530026 /nfs/dbraw/zinc/53/00/26/853530026.db2.gz OPGFMMBHDQEHBQ-LLVKDONJSA-N 1 1 372.288 1.941 20 30 FDEDMO N#Cc1cc(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)ccc1Br ZINC000906935714 853534388 /nfs/dbraw/zinc/53/43/88/853534388.db2.gz UUWYZWIYFKLACP-LBPRGKRZSA-N 1 1 370.272 1.789 20 30 FDEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C4CC4)CCOCC3)C2)c1 ZINC001077447595 862487137 /nfs/dbraw/zinc/48/71/37/862487137.db2.gz FJAZFVNBGLNRCD-RTBURBONSA-N 1 1 369.465 1.426 20 30 FDEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C4CC4)CCOCC3)C2)c1 ZINC001077447595 862487145 /nfs/dbraw/zinc/48/71/45/862487145.db2.gz FJAZFVNBGLNRCD-RTBURBONSA-N 1 1 369.465 1.426 20 30 FDEDMO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1OC ZINC001212148533 862541575 /nfs/dbraw/zinc/54/15/75/862541575.db2.gz LLGXPNIBQAZOCX-BRWVUGGUSA-N 1 1 363.502 1.395 20 30 FDEDMO 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ZINC001086599283 934027231 /nfs/dbraw/zinc/02/72/31/934027231.db2.gz GQFIZLSBBMPMQF-ZWKOTPCHSA-N 1 1 360.421 1.345 20 30 FDEDMO C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001086618292 938341202 /nfs/dbraw/zinc/34/12/02/938341202.db2.gz CAOADTUOVWEAGG-JKSUJKDBSA-N 1 1 370.453 1.087 20 30 FDEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001086619178 938354202 /nfs/dbraw/zinc/35/42/02/938354202.db2.gz CKXRSXCEKXGFNZ-IPMKNSEASA-N 1 1 368.481 1.527 20 30 FDEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnn(CCOC)c2)C1 ZINC001086621538 938380558 /nfs/dbraw/zinc/38/05/58/938380558.db2.gz ACZOQBPZSFZAKC-VQTJNVASSA-N 1 1 366.465 1.751 20 30 FDEDMO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnn(CCOC)c2)C1 ZINC001086621538 938380561 /nfs/dbraw/zinc/38/05/61/938380561.db2.gz ACZOQBPZSFZAKC-VQTJNVASSA-N 1 1 366.465 1.751 20 30 FDEDMO C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001086621828 938381809 /nfs/dbraw/zinc/38/18/09/938381809.db2.gz QGTDPLJMFKOVQK-SLFFLAALSA-N 1 1 353.466 1.462 20 30 FDEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001086622401 938399996 /nfs/dbraw/zinc/39/99/96/938399996.db2.gz VNMKRCHQGDEJNJ-IPMKNSEASA-N 1 1 353.466 1.605 20 30 FDEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Oc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001129393938 938401560 /nfs/dbraw/zinc/40/15/60/938401560.db2.gz YKZBKQRMTYKISN-OAGGEKHMSA-N 1 1 356.430 1.058 20 30 FDEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@](C)(OC)c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129397851 938403377 /nfs/dbraw/zinc/40/33/77/938403377.db2.gz YJPXZXKOEGWDLG-WSTZPKSXSA-N 1 1 367.453 1.205 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@](C)(OC)c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129397851 938403378 /nfs/dbraw/zinc/40/33/78/938403378.db2.gz YJPXZXKOEGWDLG-WSTZPKSXSA-N 1 1 367.453 1.205 20 30 FDEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)c2cn3ccccc3n2)[C@@H](n2ccnn2)C1 ZINC001129411765 938407148 /nfs/dbraw/zinc/40/71/48/938407148.db2.gz FEKXZVYRWMQAIK-WBVHZDCISA-N 1 1 365.441 1.547 20 30 FDEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](OC)C2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129411976 938407157 /nfs/dbraw/zinc/40/71/57/938407157.db2.gz HIQIEYNGMWFTRX-FGTMMUONSA-N 1 1 361.490 1.791 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129412287 938407660 /nfs/dbraw/zinc/40/76/60/938407660.db2.gz OZPJNNKUFJSTNU-OLZOCXBDSA-N 1 1 357.380 1.622 20 30 FDEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C)Oc2ccc(F)cc2)[C@@H](n2ccnn2)C1 ZINC001129422192 938412022 /nfs/dbraw/zinc/41/20/22/938412022.db2.gz MENIFLWVVCTHTK-XKQJLSEDSA-N 1 1 359.405 1.412 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Oc2ccc(F)cc2)[C@@H](n2ccnn2)C1 ZINC001129422192 938412025 /nfs/dbraw/zinc/41/20/25/938412025.db2.gz MENIFLWVVCTHTK-XKQJLSEDSA-N 1 1 359.405 1.412 20 30 FDEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccccc2OCCOC)[C@@H](n2ccnn2)C1 ZINC001129445534 938418858 /nfs/dbraw/zinc/41/88/58/938418858.db2.gz PIWWFRHMARPWIQ-SJORKVTESA-N 1 1 371.441 1.145 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2OCCOC)[C@@H](n2ccnn2)C1 ZINC001129445534 938418862 /nfs/dbraw/zinc/41/88/62/938418862.db2.gz PIWWFRHMARPWIQ-SJORKVTESA-N 1 1 371.441 1.145 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129440947 938426666 /nfs/dbraw/zinc/42/66/66/938426666.db2.gz HPLDDHARMYLVJL-UHOSZYNNSA-N 1 1 351.454 1.522 20 30 FDEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2ccc(OC)cc2)[C@@H](n2ccnn2)C1 ZINC001129465761 938428767 /nfs/dbraw/zinc/42/87/67/938428767.db2.gz PUZJMNXDMWTLHY-IPELMVKDSA-N 1 1 369.469 1.693 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2ccc(OC)cc2)[C@@H](n2ccnn2)C1 ZINC001129465761 938428770 /nfs/dbraw/zinc/42/87/70/938428770.db2.gz PUZJMNXDMWTLHY-IPELMVKDSA-N 1 1 369.469 1.693 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)COC2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001129482482 938434790 /nfs/dbraw/zinc/43/47/90/938434790.db2.gz XGTKWGQPSIHNTR-HIEASXQVSA-N 1 1 361.490 1.791 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)COC2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001129482482 938434791 /nfs/dbraw/zinc/43/47/91/938434791.db2.gz XGTKWGQPSIHNTR-HIEASXQVSA-N 1 1 361.490 1.791 20 30 FDEDMO C#CCNc1nc(NC[C@@]2(C)CCOC2)nc(NC[C@@]2(C)CCOC2)[nH+]1 ZINC000804452484 938437322 /nfs/dbraw/zinc/43/73/22/938437322.db2.gz GZHWZNZAPDJQCU-QZTJIDSGSA-N 1 1 360.462 1.594 20 30 FDEDMO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2nonc2C)[C@@H](n2ccnn2)C1 ZINC001129484750 938439898 /nfs/dbraw/zinc/43/98/98/938439898.db2.gz FTRVJLYMXNDQKL-CABCVRRESA-N 1 1 359.434 1.371 20 30 FDEDMO CCCOCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C#N)[C@@H](n2ccnn2)C1 ZINC001129655708 938482864 /nfs/dbraw/zinc/48/28/64/938482864.db2.gz DCPVRQFCJOCQEW-MSOLQXFVSA-N 1 1 368.441 1.118 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2C(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129890750 938541628 /nfs/dbraw/zinc/54/16/28/938541628.db2.gz ZSZFRMSCUUSBDN-NEPJUHHUSA-N 1 1 369.351 1.251 20 30 FDEDMO C=CCC(CC=C)C(=O)N1C[C@@H]([NH2+]Cc2cnc(C)o2)[C@@H](n2ccnn2)C1 ZINC001129867627 938544149 /nfs/dbraw/zinc/54/41/49/938544149.db2.gz UZCNTFNQLHDVJM-MSOLQXFVSA-N 1 1 370.457 1.885 20 30 FDEDMO C#CCCCCCC(=O)N1C[C@@H]([NH2+]Cc2ocnc2C)[C@@H](n2ccnn2)C1 ZINC001129963959 938579556 /nfs/dbraw/zinc/57/95/56/938579556.db2.gz OJKFMHOAWZHUPQ-SJORKVTESA-N 1 1 370.457 1.700 20 30 FDEDMO C#CCCCCCC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)o2)[C@@H](n2ccnn2)C1 ZINC001129964106 938579875 /nfs/dbraw/zinc/57/98/75/938579875.db2.gz XEGSBUPPWALGAN-MSOLQXFVSA-N 1 1 370.457 1.700 20 30 FDEDMO C=CCC1(C(=O)N2C[C@@H]([NH2+]Cc3ocnc3C)[C@@H](n3ccnn3)C2)CCC1 ZINC001129994513 938603363 /nfs/dbraw/zinc/60/33/63/938603363.db2.gz SIMAPAPWZDSSAO-CVEARBPZSA-N 1 1 370.457 1.863 20 30 FDEDMO C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)[nH]n2)C[C@@H]1n1ccnn1 ZINC001130014701 938616248 /nfs/dbraw/zinc/61/62/48/938616248.db2.gz AMKQJRLEBJGAEW-SJORKVTESA-N 1 1 357.462 1.746 20 30 FDEDMO C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2cc(C)no2)[C@@H](n2ccnn2)C1 ZINC001130022986 938621224 /nfs/dbraw/zinc/62/12/24/938621224.db2.gz SCWJPKWANPLLAE-CVEARBPZSA-N 1 1 358.446 1.719 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH]c(C)nc32)C[C@@H]1n1ccnn1 ZINC001130079526 938672544 /nfs/dbraw/zinc/67/25/44/938672544.db2.gz NXDQBUNHRTXUEU-SJORKVTESA-N 1 1 365.441 1.694 20 30 FDEDMO C#C[C@H](CC)NC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000805348658 938721718 /nfs/dbraw/zinc/72/17/18/938721718.db2.gz WPCPELHZPWRREZ-UXHICEINSA-N 1 1 354.498 2.000 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C=Cc2ccco2)n1 ZINC001130177495 938725033 /nfs/dbraw/zinc/72/50/33/938725033.db2.gz CXSJXRHOIMKYAT-MIVXPEEVSA-N 1 1 371.441 1.766 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=Cc2ccco2)n[nH]1 ZINC001130177495 938725037 /nfs/dbraw/zinc/72/50/37/938725037.db2.gz CXSJXRHOIMKYAT-MIVXPEEVSA-N 1 1 371.441 1.766 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C)o2)n1 ZINC001130181248 938728377 /nfs/dbraw/zinc/72/83/77/938728377.db2.gz CPSXCTPXTZNCLK-ZFWWWQNUSA-N 1 1 359.430 1.674 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C)o2)n[nH]1 ZINC001130181248 938728379 /nfs/dbraw/zinc/72/83/79/938728379.db2.gz CPSXCTPXTZNCLK-ZFWWWQNUSA-N 1 1 359.430 1.674 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(F)c2)[nH]1 ZINC001130181962 938729280 /nfs/dbraw/zinc/72/92/80/938729280.db2.gz ZXXFCEJMMJJEOC-HOTGVXAUSA-N 1 1 371.416 1.359 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C)nc2)n1 ZINC001130187325 938733140 /nfs/dbraw/zinc/73/31/40/938733140.db2.gz ZZTGDRJDLAPJDY-GJZGRUSLSA-N 1 1 356.430 1.086 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C)nc2)n[nH]1 ZINC001130187325 938733142 /nfs/dbraw/zinc/73/31/42/938733142.db2.gz ZZTGDRJDLAPJDY-GJZGRUSLSA-N 1 1 356.430 1.086 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccoc2)[nH]1 ZINC001130183215 938742667 /nfs/dbraw/zinc/74/26/67/938742667.db2.gz WVFNYOCVNFTRDX-STQMWFEESA-N 1 1 365.821 1.542 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccncc2C)n1 ZINC001130207532 938746664 /nfs/dbraw/zinc/74/66/64/938746664.db2.gz FFRNBOUPUGPVJY-GJZGRUSLSA-N 1 1 356.430 1.086 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccncc2C)n[nH]1 ZINC001130207532 938746666 /nfs/dbraw/zinc/74/66/66/938746666.db2.gz FFRNBOUPUGPVJY-GJZGRUSLSA-N 1 1 356.430 1.086 20 30 FDEDMO C#CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCC(C)C)n[nH]1 ZINC001130209920 938747889 /nfs/dbraw/zinc/74/78/89/938747889.db2.gz QUOOUBABWITQHD-HOTGVXAUSA-N 1 1 361.490 1.733 20 30 FDEDMO C#CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCC(C)C)n1 ZINC001130209920 938747890 /nfs/dbraw/zinc/74/78/90/938747890.db2.gz QUOOUBABWITQHD-HOTGVXAUSA-N 1 1 361.490 1.733 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ccccc2)n1 ZINC001130221081 938756406 /nfs/dbraw/zinc/75/64/06/938756406.db2.gz SYHONJPORLFYGD-IRXDYDNUSA-N 1 1 369.469 1.702 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2ccccc2)n[nH]1 ZINC001130221081 938756407 /nfs/dbraw/zinc/75/64/07/938756407.db2.gz SYHONJPORLFYGD-IRXDYDNUSA-N 1 1 369.469 1.702 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C/C=C(\C)C=C)n1 ZINC001130227730 938761934 /nfs/dbraw/zinc/76/19/34/938761934.db2.gz MAGNVMRSEIQQLM-JEYQBLLFSA-N 1 1 359.474 1.982 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C/C=C(\C)C=C)n[nH]1 ZINC001130227730 938761935 /nfs/dbraw/zinc/76/19/35/938761935.db2.gz MAGNVMRSEIQQLM-JEYQBLLFSA-N 1 1 359.474 1.982 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)c(C)cn2)n1 ZINC001130230457 938764266 /nfs/dbraw/zinc/76/42/66/938764266.db2.gz WPDZFYHHLOBZTD-HOCLYGCPSA-N 1 1 370.457 1.395 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)c(C)cn2)n[nH]1 ZINC001130230457 938764267 /nfs/dbraw/zinc/76/42/67/938764267.db2.gz WPDZFYHHLOBZTD-HOCLYGCPSA-N 1 1 370.457 1.395 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CF)CCC2)n1 ZINC001130238106 938767826 /nfs/dbraw/zinc/76/78/26/938767826.db2.gz UDFXESOKXNAQKW-KBPBESRZSA-N 1 1 365.453 1.599 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(CF)CCC2)n[nH]1 ZINC001130238106 938767827 /nfs/dbraw/zinc/76/78/27/938767827.db2.gz UDFXESOKXNAQKW-KBPBESRZSA-N 1 1 365.453 1.599 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[C@H](C)CC)n1 ZINC001130242335 938769692 /nfs/dbraw/zinc/76/96/92/938769692.db2.gz RNSJRVYHJIFKNJ-PMPSAXMXSA-N 1 1 361.490 1.733 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[C@H](C)CC)n[nH]1 ZINC001130242335 938769693 /nfs/dbraw/zinc/76/96/93/938769693.db2.gz RNSJRVYHJIFKNJ-PMPSAXMXSA-N 1 1 361.490 1.733 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)CCOC)n1 ZINC001130251524 938774848 /nfs/dbraw/zinc/77/48/48/938774848.db2.gz ZBBALPTZIIAIPN-ILXRZTDVSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)CCOC)n[nH]1 ZINC001130251524 938774850 /nfs/dbraw/zinc/77/48/50/938774850.db2.gz ZBBALPTZIIAIPN-ILXRZTDVSA-N 1 1 365.478 1.132 20 30 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1 357.454 1.598 20 30 FDEDMO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C(N)=O)c1 ZINC001110183384 963101534 /nfs/dbraw/zinc/10/15/34/963101534.db2.gz SWCAGWZNXJATKC-ZSGPHXLJSA-N 1 1 357.454 1.598 20 30 FDEDMO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C(N)=O)c1 ZINC001110183384 963101540 /nfs/dbraw/zinc/10/15/40/963101540.db2.gz SWCAGWZNXJATKC-ZSGPHXLJSA-N 1 1 357.454 1.598 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1noc(CC)n1 ZINC001175357545 963164219 /nfs/dbraw/zinc/16/42/19/963164219.db2.gz HCQOGJRJJLKMOE-ZNMIVQPWSA-N 1 1 350.463 1.988 20 30 FDEDMO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCn1cncn1 ZINC001110185704 963169743 /nfs/dbraw/zinc/16/97/43/963169743.db2.gz JSOVPGZRJMBOJL-BDXSIMOUSA-N 1 1 361.490 1.761 20 30 FDEDMO C[N@H+](CC(=O)N1C[C@@H](F)C[C@H]1C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183812565 963278421 /nfs/dbraw/zinc/27/84/21/963278421.db2.gz XIJXZBDKHDPJSQ-ZNMIVQPWSA-N 1 1 368.453 1.780 20 30 FDEDMO C[N@@H+](CC(=O)N1C[C@@H](F)C[C@H]1C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183812565 963278430 /nfs/dbraw/zinc/27/84/30/963278430.db2.gz XIJXZBDKHDPJSQ-ZNMIVQPWSA-N 1 1 368.453 1.780 20 30 FDEDMO C=CCc1cc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cc(OC)c1OC ZINC000773526981 963298778 /nfs/dbraw/zinc/29/87/78/963298778.db2.gz BGYKGXLUNMFZHW-QGZVFWFLSA-N 1 1 359.470 1.552 20 30 FDEDMO N#Cc1ccccc1CN1CCCC[C@H]1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001183841770 963306799 /nfs/dbraw/zinc/30/67/99/963306799.db2.gz OZGUOUCDMHEIMB-IBGZPJMESA-N 1 1 368.481 1.361 20 30 FDEDMO N#Cc1ccc(N[C@H]2CCC[N@H+](Cc3ccc(S(N)(=O)=O)cc3)C2)nc1 ZINC001183927701 963364349 /nfs/dbraw/zinc/36/43/49/963364349.db2.gz CAZDYGLGADGIOD-INIZCTEOSA-N 1 1 371.466 1.677 20 30 FDEDMO C[NH+]1CCN(NC(=O)c2ccc(Nc3cc(C#N)ccc3O)cc2)CC1 ZINC001176168555 963374529 /nfs/dbraw/zinc/37/45/29/963374529.db2.gz FFLONJFKUHNKEB-UHFFFAOYSA-N 1 1 351.410 1.900 20 30 FDEDMO CCCCCCCCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000774766047 963669240 /nfs/dbraw/zinc/66/92/40/963669240.db2.gz CYESVPNWZITJOL-MRXNPFEDSA-N 1 1 355.523 1.767 20 30 FDEDMO CCCCCCCCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000774766047 963669245 /nfs/dbraw/zinc/66/92/45/963669245.db2.gz CYESVPNWZITJOL-MRXNPFEDSA-N 1 1 355.523 1.767 20 30 FDEDMO CCCCCCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000774774346 963693471 /nfs/dbraw/zinc/69/34/71/963693471.db2.gz YJJMKCMKLNEIBP-QGZVFWFLSA-N 1 1 366.550 1.748 20 30 FDEDMO CCCCCCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000774774346 963693479 /nfs/dbraw/zinc/69/34/79/963693479.db2.gz YJJMKCMKLNEIBP-QGZVFWFLSA-N 1 1 366.550 1.748 20 30 FDEDMO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(=O)CC(C)C)C2 ZINC001110202459 963734184 /nfs/dbraw/zinc/73/41/84/963734184.db2.gz BGYFAYSBDYGUCY-IKGGRYGDSA-N 1 1 351.491 1.463 20 30 FDEDMO C=CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)[C@]23C[C@H]2COC3)C1 ZINC001177530014 963867433 /nfs/dbraw/zinc/86/74/33/963867433.db2.gz RTTQYFUXSBGJEU-RXVVDRJESA-N 1 1 356.466 1.675 20 30 FDEDMO Cn1cc(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(C#N)c2)nn1 ZINC001110210268 963877940 /nfs/dbraw/zinc/87/79/40/963877940.db2.gz YOTQZBRBAHZURO-QYZOEREBSA-N 1 1 364.453 1.541 20 30 FDEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)C1 ZINC001177759660 963961100 /nfs/dbraw/zinc/96/11/00/963961100.db2.gz SXXLNVHNMOPJOT-IRXDYDNUSA-N 1 1 369.465 1.570 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)C1 ZINC001177759660 963961105 /nfs/dbraw/zinc/96/11/05/963961105.db2.gz SXXLNVHNMOPJOT-IRXDYDNUSA-N 1 1 369.465 1.570 20 30 FDEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)C1 ZINC001177759659 963961320 /nfs/dbraw/zinc/96/13/20/963961320.db2.gz SXXLNVHNMOPJOT-IAGOWNOFSA-N 1 1 369.465 1.570 20 30 FDEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)C1 ZINC001177759659 963961323 /nfs/dbraw/zinc/96/13/23/963961323.db2.gz SXXLNVHNMOPJOT-IAGOWNOFSA-N 1 1 369.465 1.570 20 30 FDEDMO C=CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)C2)nn1 ZINC001185942127 964206075 /nfs/dbraw/zinc/20/60/75/964206075.db2.gz HTTKYZROGRTLKZ-GBESFXJTSA-N 1 1 366.469 1.916 20 30 FDEDMO C=CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1 ZINC001185963581 964234535 /nfs/dbraw/zinc/23/45/35/964234535.db2.gz QHFQHCPTKIWDKE-RFSXOUPVSA-N 1 1 357.458 1.141 20 30 FDEDMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCC(C#Cc3ccccc3)CC2)C1 ZINC001186108226 964302255 /nfs/dbraw/zinc/30/22/55/964302255.db2.gz ZUMKSEAZJCLNTL-IBGZPJMESA-N 1 1 354.450 1.772 20 30 FDEDMO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H](COC)OC)C1 ZINC001186196379 964345206 /nfs/dbraw/zinc/34/52/06/964345206.db2.gz JNKYAZIGBGGALQ-QRQLOZEOSA-N 1 1 362.445 1.642 20 30 FDEDMO C=C[C@@H]1C[C@@]1(NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)OCC ZINC001178997380 964610850 /nfs/dbraw/zinc/61/08/50/964610850.db2.gz VNPVCSPALSCNRA-HLIPFELVSA-N 1 1 358.438 1.511 20 30 FDEDMO C=C[C@@H]1C[C@@]1(NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)OCC ZINC001178997380 964610854 /nfs/dbraw/zinc/61/08/54/964610854.db2.gz VNPVCSPALSCNRA-HLIPFELVSA-N 1 1 358.438 1.511 20 30 FDEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccccn3)[C@@H]2C1 ZINC001186651953 964638801 /nfs/dbraw/zinc/63/88/01/964638801.db2.gz UPIOESQPQLSBQQ-FUHWJXTLSA-N 1 1 356.470 1.653 20 30 FDEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccccn3)[C@@H]2C1 ZINC001186651953 964638808 /nfs/dbraw/zinc/63/88/08/964638808.db2.gz UPIOESQPQLSBQQ-FUHWJXTLSA-N 1 1 356.470 1.653 20 30 FDEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)nc3)[C@@H]2C1 ZINC001186853398 964777076 /nfs/dbraw/zinc/77/70/76/964777076.db2.gz FADPABXJOHYKQP-RBUKOAKNSA-N 1 1 370.497 1.961 20 30 FDEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)nc3)[C@@H]2C1 ZINC001186853398 964777089 /nfs/dbraw/zinc/77/70/89/964777089.db2.gz FADPABXJOHYKQP-RBUKOAKNSA-N 1 1 370.497 1.961 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(C)n3)[C@@H]2C1 ZINC001186860550 964828088 /nfs/dbraw/zinc/82/80/88/964828088.db2.gz MWMLPCSWVHANDB-PKOBYXMFSA-N 1 1 368.481 1.737 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C)n3)[C@@H]2C1 ZINC001186860550 964828091 /nfs/dbraw/zinc/82/80/91/964828091.db2.gz MWMLPCSWVHANDB-PKOBYXMFSA-N 1 1 368.481 1.737 20 30 FDEDMO N#Cc1csc(CNC(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC001179370857 964850578 /nfs/dbraw/zinc/85/05/78/964850578.db2.gz DGALZSFAERKQBN-SFHVURJKSA-N 1 1 356.451 1.658 20 30 FDEDMO CC(C)(C)n1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)CSCC#N)[C@@H]3C2)cn1 ZINC001186917744 964877918 /nfs/dbraw/zinc/87/79/18/964877918.db2.gz YNWTVTUGUCLMAL-JKSUJKDBSA-N 1 1 361.515 1.928 20 30 FDEDMO CC(C)(C)n1cc(C[N@H+]2C[C@@H]3CCN(C(=O)CSCC#N)[C@@H]3C2)cn1 ZINC001186917744 964877922 /nfs/dbraw/zinc/87/79/22/964877922.db2.gz YNWTVTUGUCLMAL-JKSUJKDBSA-N 1 1 361.515 1.928 20 30 FDEDMO C=CCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCOC[C@H]3C3CC3)C[C@H]21 ZINC001187232757 965106738 /nfs/dbraw/zinc/10/67/38/965106738.db2.gz HYXBZQULAPLPTA-KSZLIROESA-N 1 1 361.486 1.123 20 30 FDEDMO C=CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCOC[C@H]3C3CC3)C[C@H]21 ZINC001187232757 965106747 /nfs/dbraw/zinc/10/67/47/965106747.db2.gz HYXBZQULAPLPTA-KSZLIROESA-N 1 1 361.486 1.123 20 30 FDEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCCCc3ccccc3)C[C@H]21 ZINC001187334127 965201361 /nfs/dbraw/zinc/20/13/61/965201361.db2.gz HHXXSFSGBXANQA-NZSAHSFTSA-N 1 1 368.481 1.428 20 30 FDEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCCCc3ccccc3)C[C@H]21 ZINC001187334127 965201373 /nfs/dbraw/zinc/20/13/73/965201373.db2.gz HHXXSFSGBXANQA-NZSAHSFTSA-N 1 1 368.481 1.428 20 30 FDEDMO CCC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001187304737 965223410 /nfs/dbraw/zinc/22/34/10/965223410.db2.gz MQSGUWXZZVKJDF-FUHWJXTLSA-N 1 1 370.453 1.148 20 30 FDEDMO C=CCOCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCCCCC3)C[C@H]21 ZINC001187320120 965243548 /nfs/dbraw/zinc/24/35/48/965243548.db2.gz JWIQRCTUIACUOI-ZWKOTPCHSA-N 1 1 363.502 1.514 20 30 FDEDMO C=CCOCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCCCCC3)C[C@H]21 ZINC001187320120 965243560 /nfs/dbraw/zinc/24/35/60/965243560.db2.gz JWIQRCTUIACUOI-ZWKOTPCHSA-N 1 1 363.502 1.514 20 30 FDEDMO C=CCOCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCc4ccccc4NC3=O)C[C@H]21 ZINC001187320414 965243953 /nfs/dbraw/zinc/24/39/53/965243953.db2.gz SMVAJMAZBARQQV-YTQUADARSA-N 1 1 369.465 1.675 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCOC3)[C@@H]2C1 ZINC001187407667 965301466 /nfs/dbraw/zinc/30/14/66/965301466.db2.gz HYACXVWTXUNXSQ-OKZBNKHCSA-N 1 1 361.486 1.146 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC3CCC3)[C@@H]2C1 ZINC001187447652 965358395 /nfs/dbraw/zinc/35/83/95/965358395.db2.gz KGAWJHVUVOCEMF-CWRNSKLLSA-N 1 1 362.474 1.110 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC3CCC3)[C@@H]2C1 ZINC001187447652 965358411 /nfs/dbraw/zinc/35/84/11/965358411.db2.gz 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/nfs/dbraw/zinc/95/18/96/974951896.db2.gz WVJMTQPIXFMAJD-RWQQGDIJSA-N 1 1 373.428 1.724 20 30 FDEDMO COc1ccc(C#N)cc1Nc1cc(N2CC[NH+](CCO)CC2)nc(C)n1 ZINC001201578943 975087698 /nfs/dbraw/zinc/08/76/98/975087698.db2.gz RDZSOZLFBRRQNP-UHFFFAOYSA-N 1 1 368.441 1.523 20 30 FDEDMO C#CCNC(=O)c1ccc(N2CC[NH+](Cc3ccc(O)cc3)CC2)nc1 ZINC000866125417 975418751 /nfs/dbraw/zinc/41/87/51/975418751.db2.gz LKSWREAHOYPBGY-UHFFFAOYSA-N 1 1 350.422 1.472 20 30 FDEDMO C[C@H](CNC(=O)NCCNc1ncccc1C#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847299097 975434599 /nfs/dbraw/zinc/43/45/99/975434599.db2.gz UHNAIIKHHMWKTF-KFWWJZLASA-N 1 1 360.462 1.162 20 30 FDEDMO C[C@H](CNC(=O)NCCNc1ncccc1C#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847299097 975434605 /nfs/dbraw/zinc/43/46/05/975434605.db2.gz UHNAIIKHHMWKTF-KFWWJZLASA-N 1 1 360.462 1.162 20 30 FDEDMO CN1CCN(CCCS(=O)(=O)Oc2ccc(C#N)cc2Cl)CC1 ZINC000866429973 975644688 /nfs/dbraw/zinc/64/46/88/975644688.db2.gz UFBOVHKUMZGYRR-UHFFFAOYSA-N 1 1 357.863 1.558 20 30 FDEDMO Cc1nn(-c2ccccn2)c(Cl)c1C=NNCCC[NH+]1CCOCC1 ZINC000794937046 975823661 /nfs/dbraw/zinc/82/36/61/975823661.db2.gz GCRRRHINCWPAQG-UHFFFAOYSA-N 1 1 362.865 1.875 20 30 FDEDMO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(=O)C1CCCC1)C2 ZINC001110590942 975879599 /nfs/dbraw/zinc/87/95/99/975879599.db2.gz LIAVIGQZILYQTE-DDBAPUKQSA-N 1 1 363.502 1.605 20 30 FDEDMO C#CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000847606694 975902103 /nfs/dbraw/zinc/90/21/03/975902103.db2.gz UKWGHMVXOVJGNG-QZTJIDSGSA-N 1 1 355.438 1.770 20 30 FDEDMO C=CC[C@H]1CCCN(C(=O)C(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)C1 ZINC000867628440 976536246 /nfs/dbraw/zinc/53/62/46/976536246.db2.gz ARXKEXDTTUMFPQ-KRWDZBQOSA-N 1 1 363.502 1.372 20 30 FDEDMO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001110601024 976623257 /nfs/dbraw/zinc/62/32/57/976623257.db2.gz GPDDWHQWCBGATK-FVCCEPFGSA-N 1 1 353.850 1.292 20 30 FDEDMO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001110601024 976623259 /nfs/dbraw/zinc/62/32/59/976623259.db2.gz GPDDWHQWCBGATK-FVCCEPFGSA-N 1 1 353.850 1.292 20 30 FDEDMO CCc1cccc(C=NNC(=S)NCCC[NH+]2CCOCC2)c1O ZINC000848400106 976719847 /nfs/dbraw/zinc/71/98/47/976719847.db2.gz CDEICVVIQCLAMQ-UHFFFAOYSA-N 1 1 350.488 1.475 20 30 FDEDMO COC(=O)[C@]12C[N@@H+](C[C@H](O)COc3ccc(CC#N)cc3)C[C@H]1COCC2 ZINC000796520990 1014356579 /nfs/dbraw/zinc/35/65/79/1014356579.db2.gz AIVLNYYMKHYIJU-ABSDTBQOSA-N 1 1 374.437 1.004 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(=C)C)C2 ZINC001110605987 976963251 /nfs/dbraw/zinc/96/32/51/976963251.db2.gz QOUWBGIPZJHIPF-FPCVCCKLSA-N 1 1 362.474 1.465 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(=C)C)C2 ZINC001110605987 976963253 /nfs/dbraw/zinc/96/32/53/976963253.db2.gz QOUWBGIPZJHIPF-FPCVCCKLSA-N 1 1 362.474 1.465 20 30 FDEDMO CN(CC[NH+]1CC2(C1)CCOCC2)S(=O)(=O)c1ccc(C#N)cc1F ZINC000867859531 976990755 /nfs/dbraw/zinc/99/07/55/976990755.db2.gz VBOJRRBOVZUYCC-UHFFFAOYSA-N 1 1 367.446 1.430 20 30 FDEDMO N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000867956387 977140352 /nfs/dbraw/zinc/14/03/52/977140352.db2.gz OTHLRMBJBDNTDO-MOPGFXCFSA-N 1 1 360.417 1.445 20 30 FDEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000107909906 977208484 /nfs/dbraw/zinc/20/84/84/977208484.db2.gz RRZOMYNDJYCMCN-UHFFFAOYSA-N 1 1 371.462 1.428 20 30 FDEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000107909906 977208493 /nfs/dbraw/zinc/20/84/93/977208493.db2.gz RRZOMYNDJYCMCN-UHFFFAOYSA-N 1 1 371.462 1.428 20 30 FDEDMO N#Cc1ccc(N2CCN(C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)cc1 ZINC000868216909 977352926 /nfs/dbraw/zinc/35/29/26/977352926.db2.gz MAJHBYIQTVYZPU-MOPGFXCFSA-N 1 1 369.469 1.253 20 30 FDEDMO C[C@@H](CNC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1)CN1CC[NH+](C)CC1 ZINC000868357918 977527475 /nfs/dbraw/zinc/52/74/75/977527475.db2.gz JWHSPQJBFNWDTK-HNAYVOBHSA-N 1 1 355.486 1.208 20 30 FDEDMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccncc2C#N)[C@H](c2cnn(C)c2)C1 ZINC000849546381 977726637 /nfs/dbraw/zinc/72/66/37/977726637.db2.gz AGBJIBKZEBVLRL-SJORKVTESA-N 1 1 352.442 1.561 20 30 FDEDMO C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(c2ncccc2C#N)CC1 ZINC001110630005 978876195 /nfs/dbraw/zinc/87/61/95/978876195.db2.gz GXAHYFJJDGIHBL-VQIMIIECSA-N 1 1 365.481 1.724 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC000968003424 1014541715 /nfs/dbraw/zinc/54/17/15/1014541715.db2.gz MMECQAIRXPDVRV-OTWHNJEPSA-N 1 1 357.498 1.580 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC000968003424 1014541722 /nfs/dbraw/zinc/54/17/22/1014541722.db2.gz MMECQAIRXPDVRV-OTWHNJEPSA-N 1 1 357.498 1.580 20 30 FDEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851725416 979017737 /nfs/dbraw/zinc/01/77/37/979017737.db2.gz BYPOMRPBNVADPN-OAQYLSRUSA-N 1 1 364.449 1.443 20 30 FDEDMO CCCCCC[C@](O)(C[NH+]1CCN(c2cc(C#N)ccn2)CC1)C(=O)OC ZINC000851728885 979019085 /nfs/dbraw/zinc/01/90/85/979019085.db2.gz DTRJTWPWRCWFLH-FQEVSTJZSA-N 1 1 374.485 1.950 20 30 FDEDMO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(CCC#N)CCC#N)cn1 ZINC000880520038 979265149 /nfs/dbraw/zinc/26/51/49/979265149.db2.gz YGCJODMAQYRURL-ZNXRZULTSA-N 1 1 354.458 1.786 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000968013487 1014572449 /nfs/dbraw/zinc/57/24/49/1014572449.db2.gz MYXCELWRFZWEGP-BWPNAZKDSA-N 1 1 369.509 1.746 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000968013487 1014572463 /nfs/dbraw/zinc/57/24/63/1014572463.db2.gz MYXCELWRFZWEGP-BWPNAZKDSA-N 1 1 369.509 1.746 20 30 FDEDMO N#Cc1c(Cn2cc(CCC[NH+]3CCOCC3)nn2)cn2ccccc12 ZINC000881141378 979715756 /nfs/dbraw/zinc/71/57/56/979715756.db2.gz UPZMNQPULXIWNW-UHFFFAOYSA-N 1 1 350.426 1.716 20 30 FDEDMO C=CCNS(=O)(=O)c1ccccc1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000881869235 980234999 /nfs/dbraw/zinc/23/49/99/980234999.db2.gz VRAOVTKOJBBYJN-GJZGRUSLSA-N 1 1 351.472 1.426 20 30 FDEDMO N#Cc1cnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000882023387 980379529 /nfs/dbraw/zinc/37/95/29/980379529.db2.gz ZEECQDSCPSIFQJ-LBPRGKRZSA-N 1 1 351.248 1.874 20 30 FDEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000882614674 980756887 /nfs/dbraw/zinc/75/68/87/980756887.db2.gz NZYXDPWZIKVGQS-JKSUJKDBSA-N 1 1 350.488 1.701 20 30 FDEDMO C=C(C)C[C@H](CO)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C ZINC000882894113 981781106 /nfs/dbraw/zinc/78/11/06/981781106.db2.gz IZCPGJKNPXDPDE-MRXNPFEDSA-N 1 1 369.469 1.621 20 30 FDEDMO C#CC[C@H](COC)NC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000858139318 981856486 /nfs/dbraw/zinc/85/64/86/981856486.db2.gz JMTVTSUGTBMGLK-ZWKOTPCHSA-N 1 1 358.486 1.535 20 30 FDEDMO N#Cc1nc(NC(=O)NCCC[NH+]2CCOCC2)ccc1Br ZINC000883076336 981925408 /nfs/dbraw/zinc/92/54/08/981925408.db2.gz ZYSSBKRZCUNGOL-UHFFFAOYSA-N 1 1 368.235 1.560 20 30 FDEDMO C#CC[C@H](CO)[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000883125470 981965504 /nfs/dbraw/zinc/96/55/04/981965504.db2.gz KDLQRYNNVLXKCQ-GFCCVEGCSA-N 1 1 351.472 1.910 20 30 FDEDMO COc1ccc([C@H]2C[NH2+]CCN2S(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000883475471 982186209 /nfs/dbraw/zinc/18/62/09/982186209.db2.gz VUZXTKFWZXPHBQ-QGZVFWFLSA-N 1 1 358.423 1.297 20 30 FDEDMO CC[N@H+]1CC[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000883601806 982299122 /nfs/dbraw/zinc/29/91/22/982299122.db2.gz GTOUFBUDKJRKRJ-SJORKVTESA-N 1 1 355.442 1.053 20 30 FDEDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 ZINC000883642820 982338949 /nfs/dbraw/zinc/33/89/49/982338949.db2.gz VPQJURGVNABANA-OAHLLOKOSA-N 1 1 353.430 1.238 20 30 FDEDMO C#C[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(C)(C)C ZINC000883648634 982344457 /nfs/dbraw/zinc/34/44/57/982344457.db2.gz ALZZCMNEPAUUTD-IAGOWNOFSA-N 1 1 350.507 1.130 20 30 FDEDMO CC[N@@H+]1CC[C@@H]1CNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000883711608 982407752 /nfs/dbraw/zinc/40/77/52/982407752.db2.gz SPRRMWGHNSXCOY-LJQANCHMSA-N 1 1 355.486 1.916 20 30 FDEDMO CC[N@H+]1CC[C@@H]1CNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000883711608 982407768 /nfs/dbraw/zinc/40/77/68/982407768.db2.gz SPRRMWGHNSXCOY-LJQANCHMSA-N 1 1 355.486 1.916 20 30 FDEDMO C#CCC[NH+]1CCN(C(=O)C2(NC(=O)OCc3ccccc3)CC2)CC1 ZINC000859003582 982451395 /nfs/dbraw/zinc/45/13/95/982451395.db2.gz PULQDAMOTUQKTO-UHFFFAOYSA-N 1 1 355.438 1.613 20 30 FDEDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000859302021 982696031 /nfs/dbraw/zinc/69/60/31/982696031.db2.gz LVNZOLTVIRFKNT-SWLSCSKDSA-N 1 1 364.364 1.485 20 30 FDEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000884037975 982732290 /nfs/dbraw/zinc/73/22/90/982732290.db2.gz SJLQRMZVTZRHAK-IBGZPJMESA-N 1 1 368.481 1.706 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000884037975 982732293 /nfs/dbraw/zinc/73/22/93/982732293.db2.gz SJLQRMZVTZRHAK-IBGZPJMESA-N 1 1 368.481 1.706 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FDEDMO CN1CC[NH+](CCCNC(=O)CCCC(=O)Nc2ccccc2C#N)CC1 ZINC000269269699 180260154 /nfs/dbraw/zinc/26/01/54/180260154.db2.gz FPSVQPUNAYQVKK-UHFFFAOYSA-N 1 1 371.485 1.421 20 30 FDEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)cc1 ZINC000528790344 539786769 /nfs/dbraw/zinc/78/67/69/539786769.db2.gz WDWOUXSOLMNWLB-YJBOKZPZSA-N 1 1 354.410 1.825 20 30 FDEDMO C[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CCN1c1nccn2cnnc12 ZINC000269645130 180349457 /nfs/dbraw/zinc/34/94/57/180349457.db2.gz KSJDGWHZCYKVSI-OAHLLOKOSA-N 1 1 363.425 1.585 20 30 FDEDMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H](C)n2cnc(C#N)n2)cc1 ZINC000529831294 539861920 /nfs/dbraw/zinc/86/19/20/539861920.db2.gz FJINFUITMKUVPS-UKRRQHHQSA-N 1 1 354.414 1.110 20 30 FDEDMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H](C)n2cnc(C#N)n2)cc1 ZINC000529831294 539861924 /nfs/dbraw/zinc/86/19/24/539861924.db2.gz FJINFUITMKUVPS-UKRRQHHQSA-N 1 1 354.414 1.110 20 30 FDEDMO CC(=O)N1CC[C@](C)(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000530844392 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360.483 1.990 20 30 FDEDMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)C1 ZINC000481063556 538872169 /nfs/dbraw/zinc/87/21/69/538872169.db2.gz VMVAYQBNHKTJFR-KBPBESRZSA-N 1 1 364.471 1.836 20 30 FDEDMO C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)S(C)(=O)=O ZINC000534352845 540359767 /nfs/dbraw/zinc/35/97/67/540359767.db2.gz LWDRSKNNPPXDJA-CQSZACIVSA-N 1 1 366.487 1.065 20 30 FDEDMO COC(=O)c1cccc(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c1C#N ZINC000534832181 540416901 /nfs/dbraw/zinc/41/69/01/540416901.db2.gz SSHGNLDLZXRHAW-UHFFFAOYSA-N 1 1 352.398 1.586 20 30 FDEDMO COc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000275390784 181306918 /nfs/dbraw/zinc/30/69/18/181306918.db2.gz GIVBRXNQAOUQDG-OAHLLOKOSA-N 1 1 358.442 1.838 20 30 FDEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000275432373 181316737 /nfs/dbraw/zinc/31/67/37/181316737.db2.gz KNYJFGLJMFCJTQ-CQSZACIVSA-N 1 1 361.442 1.249 20 30 FDEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000269068362 674106027 /nfs/dbraw/zinc/10/60/27/674106027.db2.gz DQFTZIGYZPBFLM-UHFFFAOYSA-N 1 1 352.822 1.235 20 30 FDEDMO C[C@@H]1C[NH+](CCOC2CCN(C(=O)c3ccc(C#N)cn3)CC2)C[C@@H](C)O1 ZINC000539126626 540925908 /nfs/dbraw/zinc/92/59/08/540925908.db2.gz OJZAEUGKOZBODJ-HZPDHXFCSA-N 1 1 372.469 1.684 20 30 FDEDMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)[C@@H](C)C1 ZINC000539344258 540950067 /nfs/dbraw/zinc/95/00/67/540950067.db2.gz XBNNMESOLILTKG-GJZGRUSLSA-N 1 1 359.426 1.421 20 30 FDEDMO COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)[C@@H](C)C1 ZINC000539344258 540950069 /nfs/dbraw/zinc/95/00/69/540950069.db2.gz XBNNMESOLILTKG-GJZGRUSLSA-N 1 1 359.426 1.421 20 30 FDEDMO C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)cc2C1=O ZINC000541894417 541292330 /nfs/dbraw/zinc/29/23/30/541292330.db2.gz SQMLYKCWFSTDGC-ZDUSSCGKSA-N 1 1 353.422 1.849 20 30 FDEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000542829922 541481027 /nfs/dbraw/zinc/48/10/27/541481027.db2.gz 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COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000545211911 541905884 /nfs/dbraw/zinc/90/58/84/541905884.db2.gz QQJYROWAECSXAB-INIZCTEOSA-N 1 1 363.483 1.919 20 30 FDEDMO N#Cc1cccc(N2CC[NH+](C[C@H](O)COc3ccc(F)cc3)CC2)n1 ZINC000545506036 541990901 /nfs/dbraw/zinc/99/09/01/541990901.db2.gz FOGOADPCCASYGH-KRWDZBQOSA-N 1 1 356.401 1.654 20 30 FDEDMO COCC[N@@H+](C)CCCNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000286208742 183014240 /nfs/dbraw/zinc/01/42/40/183014240.db2.gz WSMBWWVXIGVSGL-MRXNPFEDSA-N 1 1 362.449 1.608 20 30 FDEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286693174 183129274 /nfs/dbraw/zinc/12/92/74/183129274.db2.gz VZUANQYHGIPCKS-LZWOXQAQSA-N 1 1 358.360 1.791 20 30 FDEDMO COc1cc(C#N)ccc1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000546709032 542206432 /nfs/dbraw/zinc/20/64/32/542206432.db2.gz DCOUOQWFSCEGQX-MRXNPFEDSA-N 1 1 371.441 1.337 20 30 FDEDMO N#Cc1ncn(CCNC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)n1 ZINC000288086662 183390688 /nfs/dbraw/zinc/39/06/88/183390688.db2.gz KHEXYJGAGDIFQR-KRWDZBQOSA-N 1 1 367.457 1.504 20 30 FDEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cc(C#N)cc(N(C)C)c2)CC1 ZINC000294843724 184013244 /nfs/dbraw/zinc/01/32/44/184013244.db2.gz RZOIUJZUTRJAIG-MRXNPFEDSA-N 1 1 357.502 1.628 20 30 FDEDMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2C#N)C1 ZINC000294733341 184005157 /nfs/dbraw/zinc/00/51/57/184005157.db2.gz VXCWYUJENDAWLW-CYBMUJFWSA-N 1 1 352.232 1.771 20 30 FDEDMO COC[C@]1(C(=O)OC)CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000295114107 184034851 /nfs/dbraw/zinc/03/48/51/184034851.db2.gz HYPJWWOTXIFAQS-XLIONFOSSA-N 1 1 371.437 1.565 20 30 FDEDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000295577531 184084537 /nfs/dbraw/zinc/08/45/37/184084537.db2.gz RSBNSPRRPYLBLQ-AWEZNQCLSA-N 1 1 366.259 1.849 20 30 FDEDMO CC(C)(C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1)C(N)=O ZINC000295770833 184102959 /nfs/dbraw/zinc/10/29/59/184102959.db2.gz YLPSYSLZSJQVHM-DLBZAZTESA-N 1 1 359.470 1.912 20 30 FDEDMO N#Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@H+](CCCO)C2)ccc1Cl ZINC000296346211 184156125 /nfs/dbraw/zinc/15/61/25/184156125.db2.gz YQROXZXTBIAPQH-AWEZNQCLSA-N 1 1 364.833 1.113 20 30 FDEDMO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000297498236 184279362 /nfs/dbraw/zinc/27/93/62/184279362.db2.gz CUNFOKDBSYUAKA-FQEVSTJZSA-N 1 1 354.454 1.461 20 30 FDEDMO C=CCS(=O)(=O)CC[NH2+]Cc1c(C)nn(-c2ccccn2)c1Cl ZINC000286155033 675892504 /nfs/dbraw/zinc/89/25/04/675892504.db2.gz WAQJNDBXUUKIDM-UHFFFAOYSA-N 1 1 354.863 1.920 20 30 FDEDMO COc1nc(C)c(Br)cc1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000548274153 542607597 /nfs/dbraw/zinc/60/75/97/542607597.db2.gz MLVLRGZKYXHEEB-UHFFFAOYSA-N 1 1 367.247 1.879 20 30 FDEDMO CCN(CCC#N)S(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000549547394 542897456 /nfs/dbraw/zinc/89/74/56/542897456.db2.gz AYEXIHCXZOFKEY-XYPWUTKMSA-N 1 1 358.508 1.040 20 30 FDEDMO C[N@H+]1CCC[C@]2(CCN(S(=O)(=O)Cc3cc(C#N)ccc3F)C2)C1 ZINC000549900426 542962885 /nfs/dbraw/zinc/96/28/85/542962885.db2.gz COAHBCJVJQFTBJ-KRWDZBQOSA-N 1 1 351.447 1.945 20 30 FDEDMO N#CC1(NC(=O)C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)CCC1 ZINC000551873556 543359805 /nfs/dbraw/zinc/35/98/05/543359805.db2.gz NZNVTXGASHRXEY-FOIQADDNSA-N 1 1 369.469 1.938 20 30 FDEDMO N#CC1(NC(=O)C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)CCC1 ZINC000551873556 543359809 /nfs/dbraw/zinc/35/98/09/543359809.db2.gz NZNVTXGASHRXEY-FOIQADDNSA-N 1 1 369.469 1.938 20 30 FDEDMO CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000551905763 543372802 /nfs/dbraw/zinc/37/28/02/543372802.db2.gz HVSKCTLHBUPOTM-INIZCTEOSA-N 1 1 358.442 1.860 20 30 FDEDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000551905763 543372803 /nfs/dbraw/zinc/37/28/03/543372803.db2.gz HVSKCTLHBUPOTM-INIZCTEOSA-N 1 1 358.442 1.860 20 30 FDEDMO C=CCSCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000552202120 543436766 /nfs/dbraw/zinc/43/67/66/543436766.db2.gz IIVUKROMVOMTNU-BZUAXINKSA-N 1 1 369.531 1.122 20 30 FDEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@@H]4CCC[C@@H]43)CC2)o1 ZINC000072693825 172047309 /nfs/dbraw/zinc/04/73/09/172047309.db2.gz BILTYSFUIGJJCT-RDJZCZTQSA-N 1 1 357.458 1.768 20 30 FDEDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N(C)Cc2ccc(C#N)cc2)CC1 ZINC000074657677 172084321 /nfs/dbraw/zinc/08/43/21/172084321.db2.gz PUXPCGXRWVZCMI-KRWDZBQOSA-N 1 1 357.502 1.973 20 30 FDEDMO N#Cc1ccccc1N1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000101792572 172342245 /nfs/dbraw/zinc/34/22/45/172342245.db2.gz QEPOYTFDPZNDBL-MRXNPFEDSA-N 1 1 353.470 1.874 20 30 FDEDMO CC[N@@H+](CCNC(=O)N1CCCN(c2ncccc2C#N)CC1)C1CC1 ZINC000102064400 172345560 /nfs/dbraw/zinc/34/55/60/172345560.db2.gz HTQQTZMINYMGMF-UHFFFAOYSA-N 1 1 356.474 1.659 20 30 FDEDMO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1 ZINC000125485999 173007434 /nfs/dbraw/zinc/00/74/34/173007434.db2.gz UHKSNFOZNNRZLL-WBVHZDCISA-N 1 1 361.467 1.323 20 30 FDEDMO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1 ZINC000125485999 173007437 /nfs/dbraw/zinc/00/74/37/173007437.db2.gz UHKSNFOZNNRZLL-WBVHZDCISA-N 1 1 361.467 1.323 20 30 FDEDMO C[C@@H]1C[NH+](CCCCNS(=O)(=O)c2ccc(F)cc2C#N)C[C@@H](C)O1 ZINC000126510184 173044191 /nfs/dbraw/zinc/04/41/91/173044191.db2.gz HHPSOXSNXGFFFF-ZIAGYGMSSA-N 1 1 369.462 1.865 20 30 FDEDMO CN1CC[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000129995627 173156525 /nfs/dbraw/zinc/15/65/25/173156525.db2.gz NSPIAGDZXNTCFF-QGZVFWFLSA-N 1 1 355.442 1.006 20 30 FDEDMO N#Cc1ccc([C@H]([NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)C(N)=O)cc1 ZINC000151066783 173389310 /nfs/dbraw/zinc/38/93/10/173389310.db2.gz AWFNNUUTPVNCNV-MSOLQXFVSA-N 1 1 354.454 1.855 20 30 FDEDMO CC(C)OCC[NH+]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000177177598 174111042 /nfs/dbraw/zinc/11/10/42/174111042.db2.gz OOOXEJSECXVBLS-MRXNPFEDSA-N 1 1 362.499 1.768 20 30 FDEDMO C#CCC[NH+]1CCN(C(=O)c2cncc(I)c2)CC1 ZINC000270287618 674189929 /nfs/dbraw/zinc/18/99/29/674189929.db2.gz ZBQORSXNCLRDEE-UHFFFAOYSA-N 1 1 369.206 1.467 20 30 FDEDMO C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCc3cc(C#N)ccc3F)cc2C1 ZINC000173481293 258300814 /nfs/dbraw/zinc/30/08/14/258300814.db2.gz KDRDYOCVBUHQDD-UHFFFAOYSA-N 1 1 352.369 1.898 20 30 FDEDMO C[N@H+]1Cc2ccc(NC(=O)C(=O)NCc3cc(C#N)ccc3F)cc2C1 ZINC000173481293 258300815 /nfs/dbraw/zinc/30/08/15/258300815.db2.gz KDRDYOCVBUHQDD-UHFFFAOYSA-N 1 1 352.369 1.898 20 30 FDEDMO COC[C@@H](C)OC[C@@H](O)C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000278438762 258491806 /nfs/dbraw/zinc/49/18/06/258491806.db2.gz VXLOMEATYFPOTE-ZBFHGGJFSA-N 1 1 367.877 1.746 20 30 FDEDMO N#CCCN(CCC#N)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1 ZINC000555549553 543971628 /nfs/dbraw/zinc/97/16/28/543971628.db2.gz BYBRMWWNLGOPSA-KRWDZBQOSA-N 1 1 370.457 1.673 20 30 FDEDMO C[C@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000555535006 543967172 /nfs/dbraw/zinc/96/71/72/543967172.db2.gz DYMAIUISFWBOKD-DLBZAZTESA-N 1 1 370.501 1.905 20 30 FDEDMO N#Cc1ccc(C(=O)NCC(=O)N2CCC[N@@H+](CC3CCC3)CC2)cc1 ZINC000555535512 543967669 /nfs/dbraw/zinc/96/76/69/543967669.db2.gz OGIXLFKUSXBEJT-UHFFFAOYSA-N 1 1 354.454 1.622 20 30 FDEDMO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1 ZINC000556039206 544079742 /nfs/dbraw/zinc/07/97/42/544079742.db2.gz VSBMHXQVNFLQJM-UHFFFAOYSA-N 1 1 356.470 1.753 20 30 FDEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)n(CCC#N)n1 ZINC000556435202 544143636 /nfs/dbraw/zinc/14/36/36/544143636.db2.gz AMKXFTVKPAOJTO-AWEZNQCLSA-N 1 1 372.473 1.377 20 30 FDEDMO C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2CC)cc1 ZINC000556685377 544175234 /nfs/dbraw/zinc/17/52/34/544175234.db2.gz OIHAUHVWMNICAY-INIZCTEOSA-N 1 1 358.442 1.094 20 30 FDEDMO C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2CC)cc1 ZINC000556685377 544175235 /nfs/dbraw/zinc/17/52/35/544175235.db2.gz OIHAUHVWMNICAY-INIZCTEOSA-N 1 1 358.442 1.094 20 30 FDEDMO COc1cc(OC)c2ncc(C#N)c(N3CC[N@@H+](CCO)[C@H](C)C3)c2c1 ZINC000557660136 544325744 /nfs/dbraw/zinc/32/57/44/544325744.db2.gz FGGPETVRIVCDFC-CYBMUJFWSA-N 1 1 356.426 1.626 20 30 FDEDMO C=CCOc1cccnc1C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000557888425 544359553 /nfs/dbraw/zinc/35/95/53/544359553.db2.gz AQJQXCDKGQDFJA-GOSISDBHSA-N 1 1 367.449 1.795 20 30 FDEDMO C=CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000558174892 544394304 /nfs/dbraw/zinc/39/43/04/544394304.db2.gz MZQZPQOOZMDBHF-CVEARBPZSA-N 1 1 359.470 1.809 20 30 FDEDMO C=CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000558174892 544394307 /nfs/dbraw/zinc/39/43/07/544394307.db2.gz MZQZPQOOZMDBHF-CVEARBPZSA-N 1 1 359.470 1.809 20 30 FDEDMO Cc1cccc2[nH+]c(Cn3cc(CN4CCOCC4)cc(C#N)c3=O)cn21 ZINC000559630361 544748734 /nfs/dbraw/zinc/74/87/34/544748734.db2.gz MZRDBCTZHYXRNO-UHFFFAOYSA-N 1 1 363.421 1.557 20 30 FDEDMO CN1CCC([NH+]2CCC(NCc3cnc4c(C#N)cnn4c3)CC2)CC1 ZINC000559877719 544830228 /nfs/dbraw/zinc/83/02/28/544830228.db2.gz SNVZSXDVRMIDGV-UHFFFAOYSA-N 1 1 353.474 1.249 20 30 FDEDMO N#Cc1ccc(O[C@@H]2CCN(C(=O)c3cc(C[NH+]4CCCC4)on3)C2)nc1 ZINC000293658364 258889508 /nfs/dbraw/zinc/88/95/08/258889508.db2.gz HLULYKHSWIJGCB-OAHLLOKOSA-N 1 1 367.409 1.831 20 30 FDEDMO C[C@@H]1C[N@@H+](C2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)CCO1 ZINC000328815385 259060072 /nfs/dbraw/zinc/06/00/72/259060072.db2.gz CJOCVAHLTQJGTM-APWZRJJASA-N 1 1 359.470 1.483 20 30 FDEDMO C[C@@H]1C[N@H+](C2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)CCO1 ZINC000328815385 259060073 /nfs/dbraw/zinc/06/00/73/259060073.db2.gz CJOCVAHLTQJGTM-APWZRJJASA-N 1 1 359.470 1.483 20 30 FDEDMO CC(C)[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000331045162 259174144 /nfs/dbraw/zinc/17/41/44/259174144.db2.gz HJEGBEVBCDWHOQ-GFCCVEGCSA-N 1 1 352.416 1.618 20 30 FDEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000331301230 259186347 /nfs/dbraw/zinc/18/63/47/259186347.db2.gz PNPATMJBJBKADO-OLZOCXBDSA-N 1 1 366.443 1.865 20 30 FDEDMO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000331585010 259205919 /nfs/dbraw/zinc/20/59/19/259205919.db2.gz XDIFODWTPYZULO-GWCFXTLKSA-N 1 1 350.400 1.227 20 30 FDEDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000331585010 259205920 /nfs/dbraw/zinc/20/59/20/259205920.db2.gz XDIFODWTPYZULO-GWCFXTLKSA-N 1 1 350.400 1.227 20 30 FDEDMO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332236285 259251567 /nfs/dbraw/zinc/25/15/67/259251567.db2.gz GTFICIMKTXHRSE-GXTWGEPZSA-N 1 1 350.400 1.372 20 30 FDEDMO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000332409588 259264347 /nfs/dbraw/zinc/26/43/47/259264347.db2.gz ZQTQTZGACVIROX-UZLBHIALSA-N 1 1 370.497 1.873 20 30 FDEDMO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000332409588 259264348 /nfs/dbraw/zinc/26/43/48/259264348.db2.gz ZQTQTZGACVIROX-UZLBHIALSA-N 1 1 370.497 1.873 20 30 FDEDMO N#Cc1ccc(NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c(Cl)c1 ZINC000333081861 259307076 /nfs/dbraw/zinc/30/70/76/259307076.db2.gz AVLUAXZZXYNTQZ-ZDUSSCGKSA-N 1 1 361.833 1.640 20 30 FDEDMO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000333805153 259383908 /nfs/dbraw/zinc/38/39/08/259383908.db2.gz IKMDOWOTUPTIAN-LPHOPBHVSA-N 1 1 355.486 1.916 20 30 FDEDMO COC(=O)[C@]12CCC[C@@H]1C[N@H+]([C@H]1CC(=O)N(c3ccc(C#N)cc3)C1=O)C2 ZINC000368078024 260132033 /nfs/dbraw/zinc/13/20/33/260132033.db2.gz XGVNZOPYVVALFL-IIMJZQEZSA-N 1 1 367.405 1.465 20 30 FDEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000368909402 260259105 /nfs/dbraw/zinc/25/91/05/260259105.db2.gz IHEHPCZCBASLHY-MJGOQNOKSA-N 1 1 373.453 1.011 20 30 FDEDMO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@H]1CCCN1c1cccnn1 ZINC000369040263 260284183 /nfs/dbraw/zinc/28/41/83/260284183.db2.gz CRCGLLVNVZLEGT-GOSISDBHSA-N 1 1 364.453 1.565 20 30 FDEDMO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@H]1CCCN1c1cccnn1 ZINC000369040263 260284185 /nfs/dbraw/zinc/28/41/85/260284185.db2.gz CRCGLLVNVZLEGT-GOSISDBHSA-N 1 1 364.453 1.565 20 30 FDEDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2CC(=O)NCc2cccc(C#N)c2)cn1 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C=CCc1ccc(OCC(=O)NC[C@H](C)C[NH+]2CCOCC2)c(OC)c1 ZINC000150724174 524481037 /nfs/dbraw/zinc/48/10/37/524481037.db2.gz CGUOQERSMFTEOI-INIZCTEOSA-N 1 1 362.470 1.887 20 30 FDEDMO C=CCCOCCNC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000122449890 524539667 /nfs/dbraw/zinc/53/96/67/524539667.db2.gz YAQXQRZIZDDXBD-UHFFFAOYSA-N 1 1 360.502 1.826 20 30 FDEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCN(c2[nH+]ccn2C)CC1 ZINC000089926375 524545348 /nfs/dbraw/zinc/54/53/48/524545348.db2.gz JIKLUFBQGYENSZ-GNZRSQJKSA-N 1 1 372.517 1.861 20 30 FDEDMO Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089942771 524553408 /nfs/dbraw/zinc/55/34/08/524553408.db2.gz GLASWWBPYQECLK-OAHLLOKOSA-N 1 1 368.485 1.784 20 30 FDEDMO COC(=O)c1cccc(OCC[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000089943258 524556962 /nfs/dbraw/zinc/55/69/62/524556962.db2.gz QBPSVDGXWICCOQ-UHFFFAOYSA-N 1 1 357.414 1.594 20 30 FDEDMO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943306 524557824 /nfs/dbraw/zinc/55/78/24/524557824.db2.gz GJHWHDTWFLAUHC-HNNXBMFYSA-N 1 1 357.458 1.785 20 30 FDEDMO CC[C@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)CC[N@@H+]1C[C@@H](C)O ZINC000122759600 524611377 /nfs/dbraw/zinc/61/13/77/524611377.db2.gz WXGJCUBGQLMMJL-PBHICJAKSA-N 1 1 351.472 1.165 20 30 FDEDMO CC[C@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)CC[N@H+]1C[C@@H](C)O ZINC000122759600 524611382 /nfs/dbraw/zinc/61/13/82/524611382.db2.gz WXGJCUBGQLMMJL-PBHICJAKSA-N 1 1 351.472 1.165 20 30 FDEDMO Cc1cccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1C#N ZINC000174615894 524655100 /nfs/dbraw/zinc/65/51/00/524655100.db2.gz DPPWLBCZAIZFTA-SFHVURJKSA-N 1 1 371.485 1.193 20 30 FDEDMO C[C@H]1C[NH+](CCCCNS(=O)(=O)c2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000151801662 524688225 /nfs/dbraw/zinc/68/82/25/524688225.db2.gz AIXOQTALMMSMPD-KBPBESRZSA-N 1 1 369.462 1.865 20 30 FDEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2cccc(C#N)c2)cn1 ZINC000123161355 524694379 /nfs/dbraw/zinc/69/43/79/524694379.db2.gz HOEIPSLWCXEUIR-UHFFFAOYSA-N 1 1 360.377 1.702 20 30 FDEDMO CN(CCC#N)C(=O)CC[NH+]1CCN(C(=O)OCc2ccccc2)CC1 ZINC000092806318 524919933 /nfs/dbraw/zinc/91/99/33/524919933.db2.gz QYWKNXVWIUBHQW-UHFFFAOYSA-N 1 1 358.442 1.703 20 30 FDEDMO N#C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCN1Cc1ccccc1 ZINC000160666614 524943272 /nfs/dbraw/zinc/94/32/72/524943272.db2.gz GCRUEDWNTLJRES-WOJBJXKFSA-N 1 1 367.497 1.890 20 30 FDEDMO CC[C@@H](C)NC(=O)CN1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000124279706 524946113 /nfs/dbraw/zinc/94/61/13/524946113.db2.gz QPOVQGVOKOJVNZ-MRXNPFEDSA-N 1 1 371.485 1.419 20 30 FDEDMO C=CCOc1ccc(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)cc1OC ZINC000093583641 524994696 /nfs/dbraw/zinc/99/46/96/524994696.db2.gz QFNBVHXHAFLGLD-QGZVFWFLSA-N 1 1 350.459 1.385 20 30 FDEDMO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cnc2ccc(C#N)cn12 ZINC000093837803 525003492 /nfs/dbraw/zinc/00/34/92/525003492.db2.gz ANLRIMBNWMILBC-UHFFFAOYSA-N 1 1 359.389 1.934 20 30 FDEDMO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cnc2ccc(C#N)cn12 ZINC000093837803 525003504 /nfs/dbraw/zinc/00/35/04/525003504.db2.gz ANLRIMBNWMILBC-UHFFFAOYSA-N 1 1 359.389 1.934 20 30 FDEDMO C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000152854293 525026508 /nfs/dbraw/zinc/02/65/08/525026508.db2.gz CRULNILTDFWUDJ-OCCSQVGLSA-N 1 1 364.427 1.571 20 30 FDEDMO N#Cc1ccc([C@H]([NH2+]CCNC(=O)c2c(F)cccc2F)C(N)=O)cc1 ZINC000115600216 525033198 /nfs/dbraw/zinc/03/31/98/525033198.db2.gz VWIJHFFZZHASIY-INIZCTEOSA-N 1 1 358.348 1.382 20 30 FDEDMO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153277132 525164939 /nfs/dbraw/zinc/16/49/39/525164939.db2.gz NBGBFCNMEPDHOS-SNVBAGLBSA-N 1 1 361.837 1.804 20 30 FDEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NC(=O)Nc1ccccc1 ZINC000153312609 525174725 /nfs/dbraw/zinc/17/47/25/525174725.db2.gz OCWJURYDHXOXCP-UHFFFAOYSA-N 1 1 355.402 1.076 20 30 FDEDMO CC(=O)c1cccc(NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000125447330 525201064 /nfs/dbraw/zinc/20/10/64/525201064.db2.gz RYBRCJBUHJJKKA-UHFFFAOYSA-N 1 1 354.414 1.569 20 30 FDEDMO CC(=O)c1cccc(NC(=O)C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000125447330 525201070 /nfs/dbraw/zinc/20/10/70/525201070.db2.gz RYBRCJBUHJJKKA-UHFFFAOYSA-N 1 1 354.414 1.569 20 30 FDEDMO CC(C)CC[N@@H+](CCC#N)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000177031244 525224216 /nfs/dbraw/zinc/22/42/16/525224216.db2.gz FSBNKTBEGCPURP-UHFFFAOYSA-N 1 1 358.490 1.777 20 30 FDEDMO CCc1nc(CN2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)no1 ZINC000177299049 525272612 /nfs/dbraw/zinc/27/26/12/525272612.db2.gz BHFJSRMUEBLMJT-UHFFFAOYSA-N 1 1 368.441 1.650 20 30 FDEDMO C#CCOc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000162970775 525344476 /nfs/dbraw/zinc/34/44/76/525344476.db2.gz XMFPJFNDZFPSSN-GOSISDBHSA-N 1 1 355.438 1.253 20 30 FDEDMO CC(C)[C@H](C)NC(=O)C1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000153865115 525349434 /nfs/dbraw/zinc/34/94/34/525349434.db2.gz KPPVILSKLIGDAT-KXBFYZLASA-N 1 1 350.507 1.914 20 30 FDEDMO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c1 ZINC000163016112 525350833 /nfs/dbraw/zinc/35/08/33/525350833.db2.gz AAZXTPGVHRBKLM-CRAIPNDOSA-N 1 1 352.438 1.972 20 30 FDEDMO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c1 ZINC000163016112 525350840 /nfs/dbraw/zinc/35/08/40/525350840.db2.gz AAZXTPGVHRBKLM-CRAIPNDOSA-N 1 1 352.438 1.972 20 30 FDEDMO CCCCNC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000178187980 525393187 /nfs/dbraw/zinc/39/31/87/525393187.db2.gz YKFKBBBXMORFBZ-CQSZACIVSA-N 1 1 362.474 1.589 20 30 FDEDMO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@@H](O)COC2CCOCC2)CC1 ZINC000127256529 525402377 /nfs/dbraw/zinc/40/23/77/525402377.db2.gz ROAJXSHCPLSDGC-UYAOXDASSA-N 1 1 359.470 1.425 20 30 FDEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000104354400 525406981 /nfs/dbraw/zinc/40/69/81/525406981.db2.gz PWFGZOGGXRKERQ-IBGZPJMESA-N 1 1 353.466 1.849 20 30 FDEDMO COC(=O)Cn1cc(CC[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)nn1 ZINC000154179900 525449918 /nfs/dbraw/zinc/44/99/18/525449918.db2.gz VMTIYPPASRQTLZ-ROUUACIJSA-N 1 1 353.426 1.765 20 30 FDEDMO COC(=O)Cn1cc(CC[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)nn1 ZINC000154179900 525449926 /nfs/dbraw/zinc/44/99/26/525449926.db2.gz VMTIYPPASRQTLZ-ROUUACIJSA-N 1 1 353.426 1.765 20 30 FDEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1cnc(C#N)n1 ZINC000178650400 525458020 /nfs/dbraw/zinc/45/80/20/525458020.db2.gz HASQLIATEASRNR-KRWDZBQOSA-N 1 1 352.442 1.520 20 30 FDEDMO C[C@H](C(=O)N1CCOCC1)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118399203 525500384 /nfs/dbraw/zinc/50/03/84/525500384.db2.gz JWQQZBKAUVXBMP-DLBZAZTESA-N 1 1 356.470 1.484 20 30 FDEDMO CC(C)n1cnnc1[C@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000118860626 525567772 /nfs/dbraw/zinc/56/77/72/525567772.db2.gz ALWBOEGMNRSZEP-INIZCTEOSA-N 1 1 357.462 1.694 20 30 FDEDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000118860626 525567778 /nfs/dbraw/zinc/56/77/78/525567778.db2.gz ALWBOEGMNRSZEP-INIZCTEOSA-N 1 1 357.462 1.694 20 30 FDEDMO CCOCC[NH+]1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000106105948 525594313 /nfs/dbraw/zinc/59/43/13/525594313.db2.gz PTJCUJLZUUXAIB-UHFFFAOYSA-N 1 1 362.499 1.895 20 30 FDEDMO CCOCC[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000179664018 525611118 /nfs/dbraw/zinc/61/11/18/525611118.db2.gz LCZPWBZSVNESCX-GOSISDBHSA-N 1 1 362.449 1.503 20 30 FDEDMO CCOCC[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000179664018 525611123 /nfs/dbraw/zinc/61/11/23/525611123.db2.gz LCZPWBZSVNESCX-GOSISDBHSA-N 1 1 362.449 1.503 20 30 FDEDMO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)c1 ZINC000154744986 525627094 /nfs/dbraw/zinc/62/70/94/525627094.db2.gz VTJFLISFALNWLZ-IBGZPJMESA-N 1 1 369.465 1.708 20 30 FDEDMO CN1CCN(CCC[N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000119294329 525695625 /nfs/dbraw/zinc/69/56/25/525695625.db2.gz GRUPZQFLJWOWPR-IBGZPJMESA-N 1 1 360.502 1.062 20 30 FDEDMO CN1CCN(CCC[N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000119294329 525695637 /nfs/dbraw/zinc/69/56/37/525695637.db2.gz GRUPZQFLJWOWPR-IBGZPJMESA-N 1 1 360.502 1.062 20 30 FDEDMO N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000155306149 525817261 /nfs/dbraw/zinc/81/72/61/525817261.db2.gz ZGQWLGXMPPDLOH-HUUCEWRRSA-N 1 1 360.389 1.005 20 30 FDEDMO N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000155306149 525817267 /nfs/dbraw/zinc/81/72/67/525817267.db2.gz ZGQWLGXMPPDLOH-HUUCEWRRSA-N 1 1 360.389 1.005 20 30 FDEDMO C=C(C)C[N@H+](C)CC(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1 ZINC000181279638 525831774 /nfs/dbraw/zinc/83/17/74/525831774.db2.gz MXNHNNYJPDOSEG-UHFFFAOYSA-N 1 1 372.513 1.840 20 30 FDEDMO COC[C@@H](O)C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181438119 525854443 /nfs/dbraw/zinc/85/44/43/525854443.db2.gz VFWOZRSRMSBHAW-JKSUJKDBSA-N 1 1 368.275 1.639 20 30 FDEDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000181560247 525873691 /nfs/dbraw/zinc/87/36/91/525873691.db2.gz CTYRVICJTUHAQK-KRWDZBQOSA-N 1 1 350.488 1.550 20 30 FDEDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)C1 ZINC000155478278 525876152 /nfs/dbraw/zinc/87/61/52/525876152.db2.gz YHCMAQFDVOGTBU-HNNXBMFYSA-N 1 1 360.462 1.219 20 30 FDEDMO N#CCOc1ccccc1C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000119875325 525894957 /nfs/dbraw/zinc/89/49/57/525894957.db2.gz AOBVLHVDYHXYLV-GOSISDBHSA-N 1 1 365.433 1.738 20 30 FDEDMO C=CCNc1ncc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)s1 ZINC000131981552 525925893 /nfs/dbraw/zinc/92/58/93/525925893.db2.gz XEFVVNHRZKGNKN-CYBMUJFWSA-N 1 1 363.487 1.120 20 30 FDEDMO C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000132357201 525959622 /nfs/dbraw/zinc/95/96/22/525959622.db2.gz OXVSNMGBAIZKLV-CABCVRRESA-N 1 1 358.442 1.779 20 30 FDEDMO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000181913206 525978267 /nfs/dbraw/zinc/97/82/67/525978267.db2.gz FSNDYNOXAMLILU-CYBMUJFWSA-N 1 1 352.460 1.007 20 30 FDEDMO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000181914551 525978348 /nfs/dbraw/zinc/97/83/48/525978348.db2.gz LENOBEUUDWPYCA-BFYDXBDKSA-N 1 1 370.453 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ZINC000451976727 830490352 /nfs/dbraw/zinc/49/03/52/830490352.db2.gz CDCRYYZGJDCKHQ-GOSISDBHSA-N 1 1 360.502 1.304 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000452003143 830501394 /nfs/dbraw/zinc/50/13/94/830501394.db2.gz IIGQHUXUFXZBEV-IMJJTQAJSA-N 1 1 359.426 1.275 20 30 FDEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000452005305 830502514 /nfs/dbraw/zinc/50/25/14/830502514.db2.gz LZRBLDLOJBFLFI-NXHRZFHOSA-N 1 1 357.454 1.883 20 30 FDEDMO C=CCc1ccc(OC[C@H](O)CN2CC[N@@H+](CCO)C[C@H]2C)c(OC)c1 ZINC000452120011 830534096 /nfs/dbraw/zinc/53/40/96/830534096.db2.gz QUMFOAIUQDKTJO-SJLPKXTDSA-N 1 1 364.486 1.162 20 30 FDEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCN(CCO)C[C@H]2C)c(OC)c1 ZINC000452120011 830534117 /nfs/dbraw/zinc/53/41/17/830534117.db2.gz QUMFOAIUQDKTJO-SJLPKXTDSA-N 1 1 364.486 1.162 20 30 FDEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCN(CCO)C[C@H]2C)c(OC)c1 ZINC000452120011 830534122 /nfs/dbraw/zinc/53/41/22/830534122.db2.gz QUMFOAIUQDKTJO-SJLPKXTDSA-N 1 1 364.486 1.162 20 30 FDEDMO Cc1nc(NC(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000453680721 831016321 /nfs/dbraw/zinc/01/63/21/831016321.db2.gz VHFWJOBYLOTPOV-AWEZNQCLSA-N 1 1 365.437 1.837 20 30 FDEDMO Cc1nc(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000453680722 831016618 /nfs/dbraw/zinc/01/66/18/831016618.db2.gz VHFWJOBYLOTPOV-CQSZACIVSA-N 1 1 365.437 1.837 20 30 FDEDMO CC#CC[NH2+][C@@H]1CN(C(=O)C(=O)Nc2ccc(C)cc2)C[C@H]1C(F)(F)F ZINC001112204872 831268756 /nfs/dbraw/zinc/26/87/56/831268756.db2.gz PTDAYPIKONCQBN-HUUCEWRRSA-N 1 1 367.371 1.936 20 30 FDEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)Cc2cnn(C)c2)[C@H]1C ZINC001088486100 831310664 /nfs/dbraw/zinc/31/06/64/831310664.db2.gz RSEOTMFNVUESSL-KDOFPFPSSA-N 1 1 367.453 1.622 20 30 FDEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)Cc2cnn(C)c2)[C@H]1C ZINC001088486100 831310676 /nfs/dbraw/zinc/31/06/76/831310676.db2.gz RSEOTMFNVUESSL-KDOFPFPSSA-N 1 1 367.453 1.622 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3CC(C)(C)C3)C[C@H]2C1 ZINC000986308570 831463829 /nfs/dbraw/zinc/46/38/29/831463829.db2.gz HJVAJMOXNGCGGT-NEWSRXKRSA-N 1 1 371.525 1.827 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3CC(C)(C)C3)C[C@H]2C1 ZINC000986308570 831463835 /nfs/dbraw/zinc/46/38/35/831463835.db2.gz HJVAJMOXNGCGGT-NEWSRXKRSA-N 1 1 371.525 1.827 20 30 FDEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC[C@@H]2C1 ZINC000986403313 831577925 /nfs/dbraw/zinc/57/79/25/831577925.db2.gz MPDBFSLYAPTJHB-CABCVRRESA-N 1 1 366.425 1.012 20 30 FDEDMO C#CCN1CCC(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC=C)C2)CC1 ZINC001112209752 832002530 /nfs/dbraw/zinc/00/25/30/832002530.db2.gz GUAHDKOBLIORFT-HZPDHXFCSA-N 1 1 357.420 1.887 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088505425 832040199 /nfs/dbraw/zinc/04/01/99/832040199.db2.gz IMEFSYHYKNLOKK-JEBQAFNWSA-N 1 1 360.433 1.107 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088505425 832040204 /nfs/dbraw/zinc/04/02/04/832040204.db2.gz IMEFSYHYKNLOKK-JEBQAFNWSA-N 1 1 360.433 1.107 20 30 FDEDMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@H]3C2)C1 ZINC000986686334 832197629 /nfs/dbraw/zinc/19/76/29/832197629.db2.gz RAMUPWFZMBOPAM-INMHGKMJSA-N 1 1 369.469 1.149 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1CC(=O)N1CCC[C@@H](C)C1 ZINC001088513499 832330807 /nfs/dbraw/zinc/33/08/07/832330807.db2.gz VALCYHJTEUGHFM-FMKPAKJESA-N 1 1 357.458 1.337 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1CC(=O)N1CCC[C@@H](C)C1 ZINC001088513499 832330814 /nfs/dbraw/zinc/33/08/14/832330814.db2.gz VALCYHJTEUGHFM-FMKPAKJESA-N 1 1 357.458 1.337 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088519404 832382375 /nfs/dbraw/zinc/38/23/75/832382375.db2.gz UFDYTQSBFJCPKT-KYJSFNMBSA-N 1 1 357.429 1.282 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088519404 832382382 /nfs/dbraw/zinc/38/23/82/832382382.db2.gz UFDYTQSBFJCPKT-KYJSFNMBSA-N 1 1 357.429 1.282 20 30 FDEDMO COc1cccc([C@H](O)C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)c1 ZINC001088533801 832489816 /nfs/dbraw/zinc/48/98/16/832489816.db2.gz JZKQTFFNPLHPQE-ZNZDAUKMSA-N 1 1 368.437 1.821 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2cc(=O)n(C)o2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088543258 832564843 /nfs/dbraw/zinc/56/48/43/832564843.db2.gz SQZYNDIADZIMSL-ABAIWWIYSA-N 1 1 358.373 1.382 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2cc(=O)n(C)o2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088543258 832564848 /nfs/dbraw/zinc/56/48/48/832564848.db2.gz SQZYNDIADZIMSL-ABAIWWIYSA-N 1 1 358.373 1.382 20 30 FDEDMO CCn1nncc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001088550578 832723600 /nfs/dbraw/zinc/72/36/00/832723600.db2.gz IWEUCGVATFZSQY-WBMJQRKESA-N 1 1 356.405 1.702 20 30 FDEDMO CCn1nncc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001088550578 832723607 /nfs/dbraw/zinc/72/36/07/832723607.db2.gz IWEUCGVATFZSQY-WBMJQRKESA-N 1 1 356.405 1.702 20 30 FDEDMO C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC000988090691 834020917 /nfs/dbraw/zinc/02/09/17/834020917.db2.gz JSPXLCQWVJGFNF-LZQZEXGQSA-N 1 1 353.466 1.268 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000988137888 834124788 /nfs/dbraw/zinc/12/47/88/834124788.db2.gz YPXQTAYPLKEUGO-ZACQAIPSSA-N 1 1 360.458 1.090 20 30 FDEDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2CC(=O)NC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000195713267 835296168 /nfs/dbraw/zinc/29/61/68/835296168.db2.gz DFUVPMCRLXXSPT-FGTMMUONSA-N 1 1 362.518 1.903 20 30 FDEDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2CC(=O)NC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000195713267 835296176 /nfs/dbraw/zinc/29/61/76/835296176.db2.gz DFUVPMCRLXXSPT-FGTMMUONSA-N 1 1 362.518 1.903 20 30 FDEDMO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CC(=O)NC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000195713267 835296188 /nfs/dbraw/zinc/29/61/88/835296188.db2.gz DFUVPMCRLXXSPT-FGTMMUONSA-N 1 1 362.518 1.903 20 30 FDEDMO C[C@@H]1CN(C[C@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000195713267 835296197 /nfs/dbraw/zinc/29/61/97/835296197.db2.gz DFUVPMCRLXXSPT-FGTMMUONSA-N 1 1 362.518 1.903 20 30 FDEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C)C1 ZINC000988534074 835808945 /nfs/dbraw/zinc/80/89/45/835808945.db2.gz ZUIDHESBFQDAMF-RKVPGOIHSA-N 1 1 371.485 1.583 20 30 FDEDMO C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@H+]1C ZINC000988545233 835902930 /nfs/dbraw/zinc/90/29/30/835902930.db2.gz RXNYNXLTEJDFPT-RDTXWAMCSA-N 1 1 371.485 1.537 20 30 FDEDMO C[C@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1C)N1C(=O)CCC1=O ZINC001088601502 835944247 /nfs/dbraw/zinc/94/42/47/835944247.db2.gz CNMKWVPWDIHJRW-NUJGCVRESA-N 1 1 367.449 1.155 20 30 FDEDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1C)N1C(=O)CCC1=O ZINC001088601502 835944251 /nfs/dbraw/zinc/94/42/51/835944251.db2.gz CNMKWVPWDIHJRW-NUJGCVRESA-N 1 1 367.449 1.155 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cn4c(n3)CCCC4)[C@H]2C)C1=O ZINC001088601338 835956220 /nfs/dbraw/zinc/95/62/20/835956220.db2.gz VMGSTYLWYCDXCQ-VYDXJSESSA-N 1 1 371.485 1.199 20 30 FDEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cn4c(n3)CCCC4)[C@H]2C)C1=O ZINC001088601338 835956221 /nfs/dbraw/zinc/95/62/21/835956221.db2.gz VMGSTYLWYCDXCQ-VYDXJSESSA-N 1 1 371.485 1.199 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CN(C)C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC000988559961 835959061 /nfs/dbraw/zinc/95/90/61/835959061.db2.gz DQIAOFMNVYGCGE-XQBPLPMBSA-N 1 1 371.525 1.971 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CN(C)C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC000988559961 835959066 /nfs/dbraw/zinc/95/90/66/835959066.db2.gz DQIAOFMNVYGCGE-XQBPLPMBSA-N 1 1 371.525 1.971 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088603257 835978907 /nfs/dbraw/zinc/97/89/07/835978907.db2.gz FYDWDPHRWCXQJV-PVUWLOKVSA-N 1 1 358.417 1.255 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088603257 835978913 /nfs/dbraw/zinc/97/89/13/835978913.db2.gz FYDWDPHRWCXQJV-PVUWLOKVSA-N 1 1 358.417 1.255 20 30 FDEDMO N#CC1(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)CCCCC1 ZINC000246207685 835992462 /nfs/dbraw/zinc/99/24/62/835992462.db2.gz BWJBDFKBLFCHMX-RDJZCZTQSA-N 1 1 358.486 1.804 20 30 FDEDMO N#CC1(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)CCCCC1 ZINC000246207685 835992471 /nfs/dbraw/zinc/99/24/71/835992471.db2.gz BWJBDFKBLFCHMX-RDJZCZTQSA-N 1 1 358.486 1.804 20 30 FDEDMO O=C([C@@H]1CCCNC1=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075912631 836167093 /nfs/dbraw/zinc/16/70/93/836167093.db2.gz XEPNXZVQJCCWEB-IPMKNSEASA-N 1 1 351.450 1.097 20 30 FDEDMO O=C([C@@H]1CCCNC1=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075912631 836167097 /nfs/dbraw/zinc/16/70/97/836167097.db2.gz XEPNXZVQJCCWEB-IPMKNSEASA-N 1 1 351.450 1.097 20 30 FDEDMO CCOc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C#N)[C@H](OC)C1 ZINC001212045174 836372665 /nfs/dbraw/zinc/37/26/65/836372665.db2.gz IENLXVUQJKNRJJ-IIDMSEBBSA-N 1 1 361.442 1.439 20 30 FDEDMO CCOc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)[C@H](C)C#N)[C@H](OC)C1 ZINC001212045174 836372678 /nfs/dbraw/zinc/37/26/78/836372678.db2.gz IENLXVUQJKNRJJ-IIDMSEBBSA-N 1 1 361.442 1.439 20 30 FDEDMO Cn1cncc1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001075995750 844184065 /nfs/dbraw/zinc/18/40/65/844184065.db2.gz BUQIBHIWEUTYNQ-KBXCAEBGSA-N 1 1 353.401 1.777 20 30 FDEDMO Cn1cncc1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001075995750 844184066 /nfs/dbraw/zinc/18/40/66/844184066.db2.gz BUQIBHIWEUTYNQ-KBXCAEBGSA-N 1 1 353.401 1.777 20 30 FDEDMO Cc1c(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)cnn1C ZINC001088613742 836725506 /nfs/dbraw/zinc/72/55/06/836725506.db2.gz YOHYCYPMCKXYSB-BEFAXECRSA-N 1 1 351.454 1.922 20 30 FDEDMO Cc1c(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)cnn1C ZINC001088613742 836725519 /nfs/dbraw/zinc/72/55/19/836725519.db2.gz YOHYCYPMCKXYSB-BEFAXECRSA-N 1 1 351.454 1.922 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccc(C)c2F)[C@@H]1C ZINC000988734951 836935570 /nfs/dbraw/zinc/93/55/70/836935570.db2.gz QNZBMYOQAJCBCA-NJAFHUGGSA-N 1 1 371.456 1.951 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccc(C)c2F)[C@@H]1C ZINC000988734951 836935576 /nfs/dbraw/zinc/93/55/76/836935576.db2.gz QNZBMYOQAJCBCA-NJAFHUGGSA-N 1 1 371.456 1.951 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2ccnc3ccnn32)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088616929 836937922 /nfs/dbraw/zinc/93/79/22/836937922.db2.gz REIFUPKRXNPHSH-PBHICJAKSA-N 1 1 360.421 1.994 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCn2cccc2)[C@@H]1C ZINC000988738318 836943181 /nfs/dbraw/zinc/94/31/81/836943181.db2.gz MKKKFGXDFQMNDT-SQNIBIBYSA-N 1 1 356.470 1.081 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCn2cccc2)[C@@H]1C ZINC000988738318 836943183 /nfs/dbraw/zinc/94/31/83/836943183.db2.gz MKKKFGXDFQMNDT-SQNIBIBYSA-N 1 1 356.470 1.081 20 30 FDEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(OC)ccn3)[C@H]2C)C1=O ZINC001088789081 844228236 /nfs/dbraw/zinc/22/82/36/844228236.db2.gz UAOBHIOLQCELSQ-KMFMINBZSA-N 1 1 358.442 1.070 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(OC)ccn3)[C@H]2C)C1=O ZINC001088789081 844228241 /nfs/dbraw/zinc/22/82/41/844228241.db2.gz UAOBHIOLQCELSQ-KMFMINBZSA-N 1 1 358.442 1.070 20 30 FDEDMO CN1CC[C@H](CC(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)C1=O ZINC001075920887 837085940 /nfs/dbraw/zinc/08/59/40/837085940.db2.gz YIFJQCIAPNHURW-AYOQOUSVSA-N 1 1 366.465 1.459 20 30 FDEDMO CN1CC[C@H](CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)C1=O ZINC001075920887 837085946 /nfs/dbraw/zinc/08/59/46/837085946.db2.gz YIFJQCIAPNHURW-AYOQOUSVSA-N 1 1 366.465 1.459 20 30 FDEDMO C=CCOCCCC(=O)N[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1OC ZINC001212085814 837124639 /nfs/dbraw/zinc/12/46/39/837124639.db2.gz XTVKXEBLGGUTIT-QZTJIDSGSA-N 1 1 356.507 1.847 20 30 FDEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCCC(=O)N4)[C@@H]3C2)s1 ZINC001075923863 837351444 /nfs/dbraw/zinc/35/14/44/837351444.db2.gz XZCDDLDOYJVHBR-APHBMKBZSA-N 1 1 358.467 1.321 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCCC(=O)N4)[C@@H]3C2)s1 ZINC001075923863 837351458 /nfs/dbraw/zinc/35/14/58/837351458.db2.gz XZCDDLDOYJVHBR-APHBMKBZSA-N 1 1 358.467 1.321 20 30 FDEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000272317871 838432855 /nfs/dbraw/zinc/43/28/55/838432855.db2.gz KEGLZYPILRILBE-CZUORRHYSA-N 1 1 359.401 1.329 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C)cn1 ZINC000989164287 838535746 /nfs/dbraw/zinc/53/57/46/838535746.db2.gz SOTVSQVJTGIUMM-GRGSLBFTSA-N 1 1 368.481 1.512 20 30 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362.437 1.718 20 30 FDEDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3nc4ccccc4c(=O)n3CC#N)C2)cn1 ZINC000746676822 932259275 /nfs/dbraw/zinc/25/92/75/932259275.db2.gz AYIBCTSGXXKFCP-OAHLLOKOSA-N 1 1 362.437 1.718 20 30 FDEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001114952680 932352992 /nfs/dbraw/zinc/35/29/92/932352992.db2.gz ZHDBFDRATPYFRA-NMDDUFOESA-N 1 1 359.514 1.894 20 30 FDEDMO COc1ccc(CNC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C#N ZINC000746706002 932366111 /nfs/dbraw/zinc/36/61/11/932366111.db2.gz UFUOPXCXKOOBKX-GASCZTMLSA-N 1 1 360.458 1.865 20 30 FDEDMO C#CCOc1ccc(NC(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)cc1 ZINC000746724195 932509351 /nfs/dbraw/zinc/50/93/51/932509351.db2.gz NZWACBQHHUNADQ-HNNXBMFYSA-N 1 1 359.426 1.800 20 30 FDEDMO Cc1nn(C)c(N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)c1C#N ZINC000788045664 932530396 /nfs/dbraw/zinc/53/03/96/932530396.db2.gz VBWYWUHXPRKGMU-UHFFFAOYSA-N 1 1 355.398 1.357 20 30 FDEDMO CC(=O)N1CC(C(=O)OCCC#Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000788367522 932675751 /nfs/dbraw/zinc/67/57/51/932675751.db2.gz MSWNOORQBCQGON-UHFFFAOYSA-N 1 1 370.449 1.282 20 30 FDEDMO C#CCn1ccc(C[N@H+](CC)CCC(=O)Nc2ccc(C(N)=O)cc2)n1 ZINC000789328948 932993723 /nfs/dbraw/zinc/99/37/23/932993723.db2.gz FTOPHAJRTXZBDQ-UHFFFAOYSA-N 1 1 353.426 1.466 20 30 FDEDMO C#CCn1ccc(C[N@@H+](CC)CCC(=O)Nc2ccc(C(N)=O)cc2)n1 ZINC000789328948 932993726 /nfs/dbraw/zinc/99/37/26/932993726.db2.gz FTOPHAJRTXZBDQ-UHFFFAOYSA-N 1 1 353.426 1.466 20 30 FDEDMO C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)C1=O ZINC000789513279 933065960 /nfs/dbraw/zinc/06/59/60/933065960.db2.gz KVAIYLAEIHCJJB-FUHIMQAGSA-N 1 1 368.437 1.926 20 30 FDEDMO C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)C1=O ZINC000789513279 933065967 /nfs/dbraw/zinc/06/59/67/933065967.db2.gz KVAIYLAEIHCJJB-FUHIMQAGSA-N 1 1 368.437 1.926 20 30 FDEDMO C[C@H]1C[N@H+](Cc2cccc(CNS(=O)(=O)CC(C)(C)C#N)c2)CCO1 ZINC000790012157 933316855 /nfs/dbraw/zinc/31/68/55/933316855.db2.gz QOOSZHWQHJIVEO-HNNXBMFYSA-N 1 1 365.499 1.876 20 30 FDEDMO C[C@H]1C[N@@H+](Cc2cccc(CNS(=O)(=O)CC(C)(C)C#N)c2)CCO1 ZINC000790012157 933316866 /nfs/dbraw/zinc/31/68/66/933316866.db2.gz QOOSZHWQHJIVEO-HNNXBMFYSA-N 1 1 365.499 1.876 20 30 FDEDMO NC(=O)C[NH+]1CCC(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000790250885 933428341 /nfs/dbraw/zinc/42/83/41/933428341.db2.gz WKRHWOKXIYRZQX-UHFFFAOYSA-N 1 1 353.344 1.123 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccccc1F)C2 ZINC001110091740 933742277 /nfs/dbraw/zinc/74/22/77/933742277.db2.gz IKGZGAFGCONHAJ-FXECBMLZSA-N 1 1 371.456 1.618 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccccc1F)C2 ZINC001110091740 933742284 /nfs/dbraw/zinc/74/22/84/933742284.db2.gz IKGZGAFGCONHAJ-FXECBMLZSA-N 1 1 371.456 1.618 20 30 FDEDMO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn3c(n2)COCC3)C1 ZINC001086595280 933885054 /nfs/dbraw/zinc/88/50/54/933885054.db2.gz UNOVXOYIGBCJIG-ZWKOTPCHSA-N 1 1 364.449 1.634 20 30 FDEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn3c(n2)COCC3)C1 ZINC001086595280 933885061 /nfs/dbraw/zinc/88/50/61/933885061.db2.gz UNOVXOYIGBCJIG-ZWKOTPCHSA-N 1 1 364.449 1.634 20 30 FDEDMO C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn(CCOC)n2)C1 ZINC001086598795 934006732 /nfs/dbraw/zinc/00/67/32/934006732.db2.gz CSUBCJWRQXCUMK-PKOBYXMFSA-N 1 1 354.454 1.913 20 30 FDEDMO C=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001086600380 934082370 /nfs/dbraw/zinc/08/23/70/934082370.db2.gz PUFJILDCLVLHCB-LZWWZHRGSA-N 1 1 367.493 1.620 20 30 FDEDMO C=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086600380 934082381 /nfs/dbraw/zinc/08/23/81/934082381.db2.gz PUFJILDCLVLHCB-LZWWZHRGSA-N 1 1 367.493 1.620 20 30 FDEDMO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(OC)cc1)C2 ZINC001110094195 934120837 /nfs/dbraw/zinc/12/08/37/934120837.db2.gz PQFGQRGZIFMMLG-MNEFBYGVSA-N 1 1 360.454 1.998 20 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C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001114294560 938391107 /nfs/dbraw/zinc/39/11/07/938391107.db2.gz YLVDXPLBLZHJFM-PPLKHSGQSA-N 1 1 367.493 1.775 20 30 FDEDMO CCCCCCC[N@@H+]1C[C@@H](NC(=O)CN(C)CCC)[C@@H](n2ccnn2)C1 ZINC001129407680 938405439 /nfs/dbraw/zinc/40/54/39/938405439.db2.gz SRWLTJKBOVILTP-MSOLQXFVSA-N 1 1 364.538 1.932 20 30 FDEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)CN(C)CCC)[C@@H](n2ccnn2)C1 ZINC001129407680 938405441 /nfs/dbraw/zinc/40/54/41/938405441.db2.gz SRWLTJKBOVILTP-MSOLQXFVSA-N 1 1 364.538 1.932 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CCCOc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129417694 938409767 /nfs/dbraw/zinc/40/97/67/938409767.db2.gz JULLZNPPOWWRPT-MSOLQXFVSA-N 1 1 355.442 1.665 20 30 FDEDMO C=CC[N@H+]1C[C@@H](NC(=O)CCCOc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129417694 938409768 /nfs/dbraw/zinc/40/97/68/938409768.db2.gz JULLZNPPOWWRPT-MSOLQXFVSA-N 1 1 355.442 1.665 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2sccc2OC)[C@@H](n2ccnn2)C1 ZINC001129403746 938416787 /nfs/dbraw/zinc/41/67/87/938416787.db2.gz HKMOYJQUMOGAAG-KGLIPLIRSA-N 1 1 361.471 1.970 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CN(CC)c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129449060 938419473 /nfs/dbraw/zinc/41/94/73/938419473.db2.gz GJPVBLMHLQJZAG-MOPGFXCFSA-N 1 1 368.485 1.722 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CN(CC)c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129449060 938419475 /nfs/dbraw/zinc/41/94/75/938419475.db2.gz GJPVBLMHLQJZAG-MOPGFXCFSA-N 1 1 368.485 1.722 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCOCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129441332 938427039 /nfs/dbraw/zinc/42/70/39/938427039.db2.gz RAHGYCUEFWBMMD-MOPGFXCFSA-N 1 1 369.469 1.803 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CCOCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129441332 938427041 /nfs/dbraw/zinc/42/70/41/938427041.db2.gz RAHGYCUEFWBMMD-MOPGFXCFSA-N 1 1 369.469 1.803 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C2(CCOC)CCCC2)[C@@H](n2ccnn2)C1 ZINC001129470123 938429713 /nfs/dbraw/zinc/42/97/13/938429713.db2.gz CTUGRTAFPPWKHR-SJORKVTESA-N 1 1 361.490 1.793 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2(CCOC)CCCC2)[C@@H](n2ccnn2)C1 ZINC001129470123 938429715 /nfs/dbraw/zinc/42/97/15/938429715.db2.gz CTUGRTAFPPWKHR-SJORKVTESA-N 1 1 361.490 1.793 20 30 FDEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)CCCn2ccnc2)[C@@H](n2ccnn2)C1 ZINC001129476593 938432334 /nfs/dbraw/zinc/43/23/34/938432334.db2.gz KNFRADFDDGSODG-SJORKVTESA-N 1 1 357.462 1.263 20 30 FDEDMO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129482518 938434689 /nfs/dbraw/zinc/43/46/89/938434689.db2.gz YJJNELYCJLUFEP-UPJWGTAASA-N 1 1 361.368 1.163 20 30 FDEDMO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129482518 938434692 /nfs/dbraw/zinc/43/46/92/938434692.db2.gz YJJNELYCJLUFEP-UPJWGTAASA-N 1 1 361.368 1.163 20 30 FDEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2CC)[C@@H](n2ccnn2)C1 ZINC001129459932 938435854 /nfs/dbraw/zinc/43/58/54/938435854.db2.gz CIBVLKYWYGAZTN-SQNIBIBYSA-N 1 1 360.506 1.460 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2CC)[C@@H](n2ccnn2)C1 ZINC001129459932 938435856 /nfs/dbraw/zinc/43/58/56/938435856.db2.gz CIBVLKYWYGAZTN-SQNIBIBYSA-N 1 1 360.506 1.460 20 30 FDEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](OCC)c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129496857 938444440 /nfs/dbraw/zinc/44/44/40/938444440.db2.gz WNHQCUYXOURQNH-CEXWTWQISA-N 1 1 369.469 1.974 20 30 FDEDMO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CCN(C(C)=O)CC2)C1 ZINC001086622936 938445683 /nfs/dbraw/zinc/44/56/83/938445683.db2.gz ARHLUAIWSFLREB-VQTJNVASSA-N 1 1 353.466 1.462 20 30 FDEDMO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CCN(C(C)=O)CC2)C1 ZINC001086622936 938445685 /nfs/dbraw/zinc/44/56/85/938445685.db2.gz ARHLUAIWSFLREB-VQTJNVASSA-N 1 1 353.466 1.462 20 30 FDEDMO C#CCCCC(=O)N1C[C@@H]([NH2+]C/C(Cl)=C/Cl)[C@@H](n2ccnn2)C1 ZINC001129829436 938523742 /nfs/dbraw/zinc/52/37/42/938523742.db2.gz HKXQRVRNFBOFJG-YMOXITQKSA-N 1 1 356.257 1.742 20 30 FDEDMO C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001086625790 938535553 /nfs/dbraw/zinc/53/55/53/938535553.db2.gz ZJRYUFKCFPTOKV-DLBZAZTESA-N 1 1 354.454 1.498 20 30 FDEDMO C=C(C)CCC(=O)N1C[C@@H]([NH2+]Cc2cccc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001129884409 938538890 /nfs/dbraw/zinc/53/88/90/938538890.db2.gz MLJDACCCHMVWDE-SJORKVTESA-N 1 1 370.457 1.580 20 30 FDEDMO C[C@@]1(CNC(=O)C(=O)NCCCCC#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000804717927 938540382 /nfs/dbraw/zinc/54/03/82/938540382.db2.gz NBJUBVRQFWWZBG-FQEVSTJZSA-N 1 1 356.470 1.825 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@@H]1n1ccnn1 ZINC001129892374 938543318 /nfs/dbraw/zinc/54/33/18/938543318.db2.gz ULVXGUFYQDAZLW-QYZOEREBSA-N 1 1 370.501 1.050 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@@H]1n1ccnn1 ZINC001129892374 938543320 /nfs/dbraw/zinc/54/33/20/938543320.db2.gz ULVXGUFYQDAZLW-QYZOEREBSA-N 1 1 370.501 1.050 20 30 FDEDMO C=C[C@H](CC)CC(=O)N1C[C@@H]([NH2+]Cc2ocnc2C)[C@@H](n2ccnn2)C1 ZINC001129977834 938593130 /nfs/dbraw/zinc/59/31/30/938593130.db2.gz HPCUXYYHVCWIAJ-OAGGEKHMSA-N 1 1 358.446 1.719 20 30 FDEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1 ZINC001129976230 938600731 /nfs/dbraw/zinc/60/07/31/938600731.db2.gz JEXPUTFIEHZNTJ-BMFZPTHFSA-N 1 1 360.487 1.879 20 30 FDEDMO C=CCCCC(=O)N1C[C@@H]([NH2+]Cc2cccnc2OC)[C@@H](n2ccnn2)C1 ZINC001129987133 938610302 /nfs/dbraw/zinc/61/03/02/938610302.db2.gz ZXCCNHVDRXKACR-SJORKVTESA-N 1 1 370.457 1.580 20 30 FDEDMO C=CCCC[NH2+][C@@H]1CN(C(=O)c2[nH]nc3ccccc32)C[C@@H]1n1ccnn1 ZINC001130112385 938691144 /nfs/dbraw/zinc/69/11/44/938691144.db2.gz WMDDLGGAHGWGEN-SJORKVTESA-N 1 1 365.441 1.776 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(F)F)[nH]1 ZINC001130179388 938726796 /nfs/dbraw/zinc/72/67/96/938726796.db2.gz FDLFQTMUYCSVMM-UWVGGRQHSA-N 1 1 363.796 1.291 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccc(F)c2)n1 ZINC001130181742 938728687 /nfs/dbraw/zinc/72/86/87/938728687.db2.gz SSWYFZPRFUKDMI-GJZGRUSLSA-N 1 1 359.405 1.522 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccc(F)c2)n[nH]1 ZINC001130181742 938728688 /nfs/dbraw/zinc/72/86/88/938728688.db2.gz SSWYFZPRFUKDMI-GJZGRUSLSA-N 1 1 359.405 1.522 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)SC)n1 ZINC001130187749 938733940 /nfs/dbraw/zinc/73/39/40/938733940.db2.gz HIBGDSFRNFGKHN-AVGNSLFASA-N 1 1 353.492 1.211 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)SC)n[nH]1 ZINC001130187749 938733941 /nfs/dbraw/zinc/73/39/41/938733941.db2.gz HIBGDSFRNFGKHN-AVGNSLFASA-N 1 1 353.492 1.211 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)OCC)n1 ZINC001130188037 938734446 /nfs/dbraw/zinc/73/44/46/938734446.db2.gz WGIGJYGNIUAXRC-ILXRZTDVSA-N 1 1 365.478 1.274 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)OCC)n[nH]1 ZINC001130188037 938734448 /nfs/dbraw/zinc/73/44/48/938734448.db2.gz WGIGJYGNIUAXRC-ILXRZTDVSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](CC)OC)n1 ZINC001130193089 938737325 /nfs/dbraw/zinc/73/73/25/938737325.db2.gz HYOPOMPFVNHMDH-ZNMIVQPWSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](CC)OC)n[nH]1 ZINC001130193089 938737326 /nfs/dbraw/zinc/73/73/26/938737326.db2.gz HYOPOMPFVNHMDH-ZNMIVQPWSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCCOC)n[nH]1 ZINC001130193021 938737377 /nfs/dbraw/zinc/73/73/77/938737377.db2.gz FKTUJJBEOCPJAK-GJZGRUSLSA-N 1 1 365.478 1.276 20 30 FDEDMO C=CCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCCOC)n1 ZINC001130193021 938737378 /nfs/dbraw/zinc/73/73/78/938737378.db2.gz FKTUJJBEOCPJAK-GJZGRUSLSA-N 1 1 365.478 1.276 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCOCC)[nH]1 ZINC001130193170 938737860 /nfs/dbraw/zinc/73/78/60/938737860.db2.gz LINBHCIEXKXZCY-STQMWFEESA-N 1 1 371.869 1.062 20 30 FDEDMO C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=C)Cl)[nH]1 ZINC001130193401 938738071 /nfs/dbraw/zinc/73/80/71/938738071.db2.gz VZELGFCBLQKRAS-STQMWFEESA-N 1 1 353.854 1.602 20 30 FDEDMO CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001130195854 938738621 /nfs/dbraw/zinc/73/86/21/938738621.db2.gz GDSVADWIWMBRLA-ZFWWWQNUSA-N 1 1 371.445 1.053 20 30 FDEDMO CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C#N)c[nH]2)n[nH]1 ZINC001130195854 938738623 /nfs/dbraw/zinc/73/86/23/938738623.db2.gz GDSVADWIWMBRLA-ZFWWWQNUSA-N 1 1 371.445 1.053 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2=CCCCC2)[nH]1 ZINC001130195760 938738729 /nfs/dbraw/zinc/73/87/29/938738729.db2.gz BEYUPMRBHKTRJA-HOTGVXAUSA-N 1 1 357.458 1.407 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)=CC)[nH]1 ZINC001130195902 938739035 /nfs/dbraw/zinc/73/90/35/938739035.db2.gz ICQXEHGIZYUZHM-LSPUGUOBSA-N 1 1 353.854 1.602 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ocnc2C)n1 ZINC001130198220 938740034 /nfs/dbraw/zinc/74/00/34/938740034.db2.gz AKXUWFXEQRLVFS-STQMWFEESA-N 1 1 360.418 1.069 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ocnc2C)n[nH]1 ZINC001130198220 938740036 /nfs/dbraw/zinc/74/00/36/938740036.db2.gz AKXUWFXEQRLVFS-STQMWFEESA-N 1 1 360.418 1.069 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC(C)(C)C2)n1 ZINC001130207928 938747362 /nfs/dbraw/zinc/74/73/62/938747362.db2.gz WTWCFWXGESJESQ-GJZGRUSLSA-N 1 1 359.474 1.343 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CC(C)(C)C2)n[nH]1 ZINC001130207928 938747364 /nfs/dbraw/zinc/74/73/64/938747364.db2.gz WTWCFWXGESJESQ-GJZGRUSLSA-N 1 1 359.474 1.343 20 30 FDEDMO C#CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC[C@@H](C)F)n[nH]1 ZINC001130209713 938747913 /nfs/dbraw/zinc/74/79/13/938747913.db2.gz LMVMJXADOXQZLI-ILXRZTDVSA-N 1 1 365.453 1.435 20 30 FDEDMO C#CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC[C@@H](C)F)n1 ZINC001130209713 938747914 /nfs/dbraw/zinc/74/79/14/938747914.db2.gz LMVMJXADOXQZLI-ILXRZTDVSA-N 1 1 365.453 1.435 20 30 FDEDMO CC/C=C/CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC2CC2)n1 ZINC001130212949 938750013 /nfs/dbraw/zinc/75/00/13/938750013.db2.gz MJLGCQMCQBMJNS-RYTMFUSVSA-N 1 1 371.485 1.653 20 30 FDEDMO CC/C=C/CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC2CC2)n[nH]1 ZINC001130212949 938750014 /nfs/dbraw/zinc/75/00/14/938750014.db2.gz MJLGCQMCQBMJNS-RYTMFUSVSA-N 1 1 371.485 1.653 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)CC(F)F)[nH]1 ZINC001130215968 938752304 /nfs/dbraw/zinc/75/23/04/938752304.db2.gz KHYOXTDKOMEUAW-RYUDHWBXSA-N 1 1 369.416 1.198 20 30 FDEDMO C#CCC1(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]C(C)C)n[nH]2)CCC1 ZINC001130216375 938752659 /nfs/dbraw/zinc/75/26/59/938752659.db2.gz VHXUMDZRRLMAHB-GJZGRUSLSA-N 1 1 359.474 1.485 20 30 FDEDMO C#CCC1(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]C(C)C)n2)CCC1 ZINC001130216375 938752661 /nfs/dbraw/zinc/75/26/61/938752661.db2.gz VHXUMDZRRLMAHB-GJZGRUSLSA-N 1 1 359.474 1.485 20 30 FDEDMO C=C(C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+][C@H](C)COC)n[nH]1 ZINC001130216313 938752773 /nfs/dbraw/zinc/75/27/73/938752773.db2.gz SVAARRLGONILMN-ILXRZTDVSA-N 1 1 365.478 1.274 20 30 FDEDMO C=C(C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+][C@H](C)COC)n1 ZINC001130216313 938752776 /nfs/dbraw/zinc/75/27/76/938752776.db2.gz SVAARRLGONILMN-ILXRZTDVSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CC(C)(C)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130216469 938753027 /nfs/dbraw/zinc/75/30/27/938753027.db2.gz YBINBTXYAQKGIS-STQMWFEESA-N 1 1 353.442 1.455 20 30 FDEDMO C=CC(C)(C)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130216469 938753030 /nfs/dbraw/zinc/75/30/30/938753030.db2.gz YBINBTXYAQKGIS-STQMWFEESA-N 1 1 353.442 1.455 20 30 FDEDMO CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001130200536 938754222 /nfs/dbraw/zinc/75/42/22/938754222.db2.gz OWLLMYTUDHHSAG-ZFWWWQNUSA-N 1 1 371.445 1.197 20 30 FDEDMO CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C#N)[nH]2)n[nH]1 ZINC001130200536 938754223 /nfs/dbraw/zinc/75/42/23/938754223.db2.gz OWLLMYTUDHHSAG-ZFWWWQNUSA-N 1 1 371.445 1.197 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCC(C)(C)C)[nH]1 ZINC001130202747 938755184 /nfs/dbraw/zinc/75/51/84/938755184.db2.gz IRSXTWQRWJHIKU-GJZGRUSLSA-N 1 1 361.490 1.733 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)C2CCC2)[nH]1 ZINC001130221138 938756664 /nfs/dbraw/zinc/75/66/64/938756664.db2.gz WGQAAVOVNXOVII-BPUTZDHNSA-N 1 1 359.474 1.343 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)co2)[nH]1 ZINC001130230136 938763618 /nfs/dbraw/zinc/76/36/18/938763618.db2.gz NVMWQUAYKNUJHB-ZFWWWQNUSA-N 1 1 357.414 1.122 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC2(C)C)n1 ZINC001130230505 938764214 /nfs/dbraw/zinc/76/42/14/938764214.db2.gz YEKFGGVMUWIVBY-KKUMJFAQSA-N 1 1 359.474 1.343 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CCC2(C)C)n[nH]1 ZINC001130230505 938764216 /nfs/dbraw/zinc/76/42/16/938764216.db2.gz YEKFGGVMUWIVBY-KKUMJFAQSA-N 1 1 359.474 1.343 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)c2ccco2)n1 ZINC001130238201 938767829 /nfs/dbraw/zinc/76/78/29/938767829.db2.gz YPFNGAUQEGLTSI-DZKIICNBSA-N 1 1 371.441 1.303 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)c2ccco2)n[nH]1 ZINC001130238201 938767831 /nfs/dbraw/zinc/76/78/31/938767831.db2.gz YPFNGAUQEGLTSI-DZKIICNBSA-N 1 1 371.441 1.303 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CCC=CCC2)n1 ZINC001130249035 938773215 /nfs/dbraw/zinc/77/32/15/938773215.db2.gz GNBNUZUGQLVMFP-HOTGVXAUSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CCC=CCC2)n[nH]1 ZINC001130249035 938773217 /nfs/dbraw/zinc/77/32/17/938773217.db2.gz GNBNUZUGQLVMFP-HOTGVXAUSA-N 1 1 359.474 1.815 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CCC=CCC2)[nH]1 ZINC001130249138 938773219 /nfs/dbraw/zinc/77/32/19/938773219.db2.gz LPSYKTLEHGWVCQ-IRXDYDNUSA-N 1 1 371.485 1.653 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H](C)C2CC2)n1 ZINC001130251518 938774765 /nfs/dbraw/zinc/77/47/65/938774765.db2.gz YSILVSWCWRYZTN-BPUTZDHNSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H](C)C2CC2)n[nH]1 ZINC001130251518 938774768 /nfs/dbraw/zinc/77/47/68/938774768.db2.gz YSILVSWCWRYZTN-BPUTZDHNSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CC[C@H](NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1 ZINC000805810204 938830512 /nfs/dbraw/zinc/83/05/12/938830512.db2.gz FZNUEKYXNCKYBG-JZXOWHBKSA-N 1 1 374.485 1.431 20 30 FDEDMO C=CC[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccncc1 ZINC000805815732 938831986 /nfs/dbraw/zinc/83/19/86/938831986.db2.gz UUFJRBHMDFFIRQ-GOSISDBHSA-N 1 1 372.469 1.138 20 30 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N#Cc1cccc(N2CCOC[C@@]3(CCC[N@H+](Cc4cc[nH]n4)C3)C2)n1 ZINC001137126631 993620690 /nfs/dbraw/zinc/62/06/90/993620690.db2.gz SHWPINJCBZZING-LJQANCHMSA-N 1 1 352.442 1.795 20 30 FDEDMO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4cc[nH]n4)C3)C2)n1 ZINC001137126631 993620696 /nfs/dbraw/zinc/62/06/96/993620696.db2.gz SHWPINJCBZZING-LJQANCHMSA-N 1 1 352.442 1.795 20 30 FDEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(C#N)s2)O1 ZINC001095610380 993777540 /nfs/dbraw/zinc/77/75/40/993777540.db2.gz MASLERNOQCXSRC-KAEUXLIGSA-N 1 1 374.510 1.560 20 30 FDEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(C#N)s2)O1 ZINC001095610380 993777546 /nfs/dbraw/zinc/77/75/46/993777546.db2.gz MASLERNOQCXSRC-KAEUXLIGSA-N 1 1 374.510 1.560 20 30 FDEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000470088099 993949972 /nfs/dbraw/zinc/94/99/72/993949972.db2.gz QQKQCYPCWSGSSX-ZDUSSCGKSA-N 1 1 360.458 1.123 20 30 FDEDMO 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/nfs/dbraw/zinc/87/04/95/538870495.db2.gz HNKCTBFKXIEEMT-ZACQAIPSSA-N 1 1 365.518 1.711 20 30 FDEDMO Cc1cc(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)nn1-c1cccc(C#N)c1 ZINC000506468500 538873732 /nfs/dbraw/zinc/87/37/32/538873732.db2.gz DUUJDDSCMDRWLK-OAHLLOKOSA-N 1 1 367.453 1.751 20 30 FDEDMO C=CCN(CCOC)C(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000560869149 545622977 /nfs/dbraw/zinc/62/29/77/545622977.db2.gz XTUWEQROYGKIGF-MRXNPFEDSA-N 1 1 359.470 1.210 20 30 FDEDMO C=CCN(CCOC)C(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000560869149 545622979 /nfs/dbraw/zinc/62/29/79/545622979.db2.gz XTUWEQROYGKIGF-MRXNPFEDSA-N 1 1 359.470 1.210 20 30 FDEDMO C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)c3cnccc3C#N)CC2)C[C@H](C)O1 ZINC000561590754 545904103 /nfs/dbraw/zinc/90/41/03/545904103.db2.gz IUIATOBOVPSDRJ-IYBDPMFKSA-N 1 1 372.469 1.684 20 30 FDEDMO C[C@@H]1C[N@H+](CCOC2CCN(C(=O)c3cnccc3C#N)CC2)C[C@H](C)O1 ZINC000561590754 545904107 /nfs/dbraw/zinc/90/41/07/545904107.db2.gz IUIATOBOVPSDRJ-IYBDPMFKSA-N 1 1 372.469 1.684 20 30 FDEDMO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)CC[N@H+]1C ZINC000562880809 546303386 /nfs/dbraw/zinc/30/33/86/546303386.db2.gz RRWVBZAAHVLMHK-HOTGVXAUSA-N 1 1 369.469 1.064 20 30 FDEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC(CCC#N)CC1 ZINC000563036246 546365351 /nfs/dbraw/zinc/36/53/51/546365351.db2.gz KOVFVQXETBTYFI-KRWDZBQOSA-N 1 1 363.506 1.654 20 30 FDEDMO N#Cc1cnn2cc(C[N@@H+]3CC[C@H](C(=O)NCC(F)(F)F)C3)cnc12 ZINC000563150810 546426612 /nfs/dbraw/zinc/42/66/12/546426612.db2.gz RLGUGBZQQWLCSA-NSHDSACASA-N 1 1 352.320 1.101 20 30 FDEDMO CC(C)[C@H]([NH2+]Cc1nc(C#N)cs1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000563326090 546489254 /nfs/dbraw/zinc/48/92/54/546489254.db2.gz QWJLIJRGUILIFL-INIZCTEOSA-N 1 1 373.486 1.325 20 30 FDEDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000564421443 546909971 /nfs/dbraw/zinc/90/99/71/546909971.db2.gz FIYHOYSUNWUING-SJLPKXTDSA-N 1 1 369.469 1.789 20 30 FDEDMO CC[N@@H+](C)C[C@H](O)CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000565665997 547437651 /nfs/dbraw/zinc/43/76/51/547437651.db2.gz NTSLPLVFFXZVAJ-ROUUACIJSA-N 1 1 350.894 1.835 20 30 FDEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000565756232 547467156 /nfs/dbraw/zinc/46/71/56/547467156.db2.gz QNCMIBLMTDDRFP-KRWDZBQOSA-N 1 1 370.501 1.905 20 30 FDEDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000565764528 547471296 /nfs/dbraw/zinc/47/12/96/547471296.db2.gz JFVGOBHLHVKJGT-INMHGKMJSA-N 1 1 374.460 1.437 20 30 FDEDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000565764528 547471299 /nfs/dbraw/zinc/47/12/99/547471299.db2.gz JFVGOBHLHVKJGT-INMHGKMJSA-N 1 1 374.460 1.437 20 30 FDEDMO N#Cc1cnn2c1NC[C@@H](C[N@H+]1CCC[C@H](c3noc(C4CC4)n3)C1)C2 ZINC000566245862 547681529 /nfs/dbraw/zinc/68/15/29/547681529.db2.gz WSHXAENCIULAFH-JSGCOSHPSA-N 1 1 353.430 1.936 20 30 FDEDMO CC[C@@H](CC#N)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000566570955 547813138 /nfs/dbraw/zinc/81/31/38/547813138.db2.gz WJJQQGKRUCVSFF-ROUUACIJSA-N 1 1 357.433 1.816 20 30 FDEDMO N#Cc1ccc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)nc1N ZINC000566629213 547833754 /nfs/dbraw/zinc/83/37/54/547833754.db2.gz BPGFSSKBKYGSGY-UHFFFAOYSA-N 1 1 350.426 2.050 20 30 FDEDMO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1nnc2ccc(C(F)(F)F)cn21 ZINC000568501059 548561820 /nfs/dbraw/zinc/56/18/20/548561820.db2.gz CNADIULDGZCEBE-LBPRGKRZSA-N 1 1 356.352 1.044 20 30 FDEDMO N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568529028 548575540 /nfs/dbraw/zinc/57/55/40/548575540.db2.gz IWAXRHLAJXCGDD-HXUWFJFHSA-N 1 1 370.497 1.583 20 30 FDEDMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000568623655 548612382 /nfs/dbraw/zinc/61/23/82/548612382.db2.gz SKLZBBKDRPZVSX-QGZVFWFLSA-N 1 1 351.472 1.283 20 30 FDEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3cnccc3C#N)CC2)C1 ZINC000569064618 548782027 /nfs/dbraw/zinc/78/20/27/548782027.db2.gz DLCIDKCCEUYMAQ-KRWDZBQOSA-N 1 1 370.501 1.763 20 30 FDEDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000569164613 548819295 /nfs/dbraw/zinc/81/92/95/548819295.db2.gz ASUDUHAKZAHOLJ-HOTGVXAUSA-N 1 1 373.505 1.689 20 30 FDEDMO Cc1nn(C)c(N2CCN(C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)CC2)c1C#N ZINC000569325296 548874362 /nfs/dbraw/zinc/87/43/62/548874362.db2.gz KAGAULAWZAPZBA-INIZCTEOSA-N 1 1 373.505 1.164 20 30 FDEDMO C=CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000570130327 549168207 /nfs/dbraw/zinc/16/82/07/549168207.db2.gz OJPWPUMHNCJVFN-SJORKVTESA-N 1 1 360.506 1.184 20 30 FDEDMO C=CCOc1ccc(CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000570307083 549233167 /nfs/dbraw/zinc/23/31/67/549233167.db2.gz BFBODFAQRCVKSY-KRWDZBQOSA-N 1 1 372.469 1.357 20 30 FDEDMO C=CCN(CCOC)C(=O)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000570748078 549396229 /nfs/dbraw/zinc/39/62/29/549396229.db2.gz YABOQKGPKMBTHF-MRXNPFEDSA-N 1 1 363.458 1.502 20 30 FDEDMO C=CCn1c(CCC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000571449985 549649814 /nfs/dbraw/zinc/64/98/14/549649814.db2.gz JKYJFXFZXRGIBY-KRWDZBQOSA-N 1 1 374.533 1.796 20 30 FDEDMO C[NH+]1CCC(C#N)(NC(=O)c2cnc(OCc3ccccc3)cn2)CC1 ZINC000571595397 549701586 /nfs/dbraw/zinc/70/15/86/549701586.db2.gz SLKIZKOPQKWBFJ-UHFFFAOYSA-N 1 1 351.410 1.773 20 30 FDEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000572777505 549992436 /nfs/dbraw/zinc/99/24/36/549992436.db2.gz LIDPMAOEHSGAGL-GASCZTMLSA-N 1 1 354.454 1.826 20 30 FDEDMO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[N@H+]1C ZINC000573420160 550132368 /nfs/dbraw/zinc/13/23/68/550132368.db2.gz FXXMXXKPEISWGO-FHLIZLRMSA-N 1 1 369.469 1.441 20 30 FDEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000574820742 550376394 /nfs/dbraw/zinc/37/63/94/550376394.db2.gz XGAHIMWCMYSLRC-MRXNPFEDSA-N 1 1 354.458 1.633 20 30 FDEDMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000577851030 550702013 /nfs/dbraw/zinc/70/20/13/550702013.db2.gz XWJTWXWPBXZILA-HXUWFJFHSA-N 1 1 361.405 1.918 20 30 FDEDMO COC(=O)c1ccc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C#N)n1 ZINC000578668955 550789382 /nfs/dbraw/zinc/78/93/82/550789382.db2.gz VSEZZMZGKQIPBH-XYPWUTKMSA-N 1 1 369.469 1.487 20 30 FDEDMO CC(C)[C@H](CNC(=O)NCC#Cc1cccc(F)c1)N1CC[NH+](C)CC1 ZINC000579262591 550853778 /nfs/dbraw/zinc/85/37/78/550853778.db2.gz PHDHBVIJPYLKBG-IBGZPJMESA-N 1 1 360.477 1.748 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000580403186 550978152 /nfs/dbraw/zinc/97/81/52/550978152.db2.gz GZERTJGFLOTKQW-HKUYNNGSSA-N 1 1 363.502 1.514 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000580403186 550978154 /nfs/dbraw/zinc/97/81/54/550978154.db2.gz GZERTJGFLOTKQW-HKUYNNGSSA-N 1 1 363.502 1.514 20 30 FDEDMO COC(=O)c1cn([C@H]2CC[N@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)nn1 ZINC000580436066 550982220 /nfs/dbraw/zinc/98/22/20/550982220.db2.gz MYPHLGYXXDTCGB-ZDUSSCGKSA-N 1 1 356.342 1.292 20 30 FDEDMO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)nn1 ZINC000580436066 550982221 /nfs/dbraw/zinc/98/22/21/550982221.db2.gz MYPHLGYXXDTCGB-ZDUSSCGKSA-N 1 1 356.342 1.292 20 30 FDEDMO CC[C@H](C(=O)N(CCC#N)CCN1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000580745367 551014003 /nfs/dbraw/zinc/01/40/03/551014003.db2.gz LEADRQJXJLUKLZ-HXUWFJFHSA-N 1 1 372.513 1.971 20 30 FDEDMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC3(C#N)CCC3)CC2)CC1 ZINC000580764356 551015785 /nfs/dbraw/zinc/01/57/85/551015785.db2.gz BMLGIXFUNXONTL-UHFFFAOYSA-N 1 1 361.490 1.266 20 30 FDEDMO Cn1cc(CNC2(CCO)CC[NH+](C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000581022420 551044105 /nfs/dbraw/zinc/04/41/05/551044105.db2.gz UWIFIZWJRPEECN-UHFFFAOYSA-N 1 1 353.470 1.895 20 30 FDEDMO COC(=O)c1cccc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1C#N ZINC000582101506 551175724 /nfs/dbraw/zinc/17/57/24/551175724.db2.gz NPGGFVNKBSMSJL-YJBOKZPZSA-N 1 1 354.410 1.286 20 30 FDEDMO COC(=O)c1cccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1C#N ZINC000582101506 551175725 /nfs/dbraw/zinc/17/57/25/551175725.db2.gz NPGGFVNKBSMSJL-YJBOKZPZSA-N 1 1 354.410 1.286 20 30 FDEDMO C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccc(C#N)c(Br)c3)C[C@@H]21 ZINC000582342735 551209456 /nfs/dbraw/zinc/20/94/56/551209456.db2.gz XLEHHRLIKZGCEM-DOMZBBRYSA-N 1 1 364.243 1.862 20 30 FDEDMO Cc1cc(NC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)ncc1C#N ZINC000583762255 551399090 /nfs/dbraw/zinc/39/90/90/551399090.db2.gz PITLDLNEUDOOPP-UHFFFAOYSA-N 1 1 369.400 1.588 20 30 FDEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000583835414 551408696 /nfs/dbraw/zinc/40/86/96/551408696.db2.gz DMPITGYZOCZGNA-HZPDHXFCSA-N 1 1 369.531 1.369 20 30 FDEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000583886180 551416470 /nfs/dbraw/zinc/41/64/70/551416470.db2.gz AELBMDNJPRAELM-HOCLYGCPSA-N 1 1 373.457 1.145 20 30 FDEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)N1CCc2sccc2C1 ZINC000584396798 551490580 /nfs/dbraw/zinc/49/05/80/551490580.db2.gz KVGQUCPDPUUTLI-UHFFFAOYSA-N 1 1 372.498 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354.454 1.600 20 30 FDEDMO COC(=O)C1([C@@]2(O)CCC[N@H+](Cc3cnc4ccc(C#N)cn34)C2)CCC1 ZINC000897699442 840243354 /nfs/dbraw/zinc/24/33/54/840243354.db2.gz CNTFBUPNRSFNPR-HXUWFJFHSA-N 1 1 368.437 1.876 20 30 FDEDMO COC(=O)C1([C@@]2(O)CCC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)CCC1 ZINC000897699442 840243365 /nfs/dbraw/zinc/24/33/65/840243365.db2.gz CNTFBUPNRSFNPR-HXUWFJFHSA-N 1 1 368.437 1.876 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2cn3cccnc3n2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088702189 841909229 /nfs/dbraw/zinc/90/92/29/841909229.db2.gz HZDYRFVHXUJGDA-AEFFLSMTSA-N 1 1 359.433 1.974 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2cn3cccnc3n2)CC[N@H+]1CC#Cc1ccccc1 ZINC001088702189 841909234 /nfs/dbraw/zinc/90/92/34/841909234.db2.gz HZDYRFVHXUJGDA-AEFFLSMTSA-N 1 1 359.433 1.974 20 30 FDEDMO C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@H]1CCCCNC1=O ZINC000729850366 842078517 /nfs/dbraw/zinc/07/85/17/842078517.db2.gz HFOUVWNAHCBOHE-YOEHRIQHSA-N 1 1 363.421 1.824 20 30 FDEDMO C[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@H]1CCCCNC1=O ZINC000729850366 842078523 /nfs/dbraw/zinc/07/85/23/842078523.db2.gz HFOUVWNAHCBOHE-YOEHRIQHSA-N 1 1 363.421 1.824 20 30 FDEDMO CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ncccc3O)[C@H]2C(C)C)C[C@H]1O ZINC001105619549 842238528 /nfs/dbraw/zinc/23/85/28/842238528.db2.gz NBYWDZRYHJPRFY-BIJSTVTOSA-N 1 1 357.454 1.390 20 30 FDEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CS(=O)(=O)C3CCCC3)[C@@H]2C1 ZINC001075954498 842537104 /nfs/dbraw/zinc/53/71/04/842537104.db2.gz UTURWTVTUKGYDC-DOTOQJQBSA-N 1 1 354.516 1.843 20 30 FDEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CS(=O)(=O)C3CCCC3)[C@@H]2C1 ZINC001075954498 842537110 /nfs/dbraw/zinc/53/71/10/842537110.db2.gz UTURWTVTUKGYDC-DOTOQJQBSA-N 1 1 354.516 1.843 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2ccnc3n[nH]nc32)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088732796 842651432 /nfs/dbraw/zinc/65/14/32/842651432.db2.gz PQZGMDWLIUYNPL-PBHICJAKSA-N 1 1 360.421 1.597 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2ccnc3n[nH]nc32)CC[N@H+]1CC#Cc1ccccc1 ZINC001088732796 842651436 /nfs/dbraw/zinc/65/14/36/842651436.db2.gz PQZGMDWLIUYNPL-PBHICJAKSA-N 1 1 360.421 1.597 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2cc3n(n2)CCCO3)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088735698 842671073 /nfs/dbraw/zinc/67/10/73/842671073.db2.gz CUWPUTOGSUWJTE-DOMZBBRYSA-N 1 1 371.466 1.992 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2cc3n(n2)CCCO3)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088735698 842671074 /nfs/dbraw/zinc/67/10/74/842671074.db2.gz CUWPUTOGSUWJTE-DOMZBBRYSA-N 1 1 371.466 1.992 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2cnc3nccn3c2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088747312 842785213 /nfs/dbraw/zinc/78/52/13/842785213.db2.gz VRIDHRPZXHGKKW-KDOFPFPSSA-N 1 1 360.421 1.994 20 30 FDEDMO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC(=O)NC4)[C@@H]3C2)c1 ZINC001075978359 843188118 /nfs/dbraw/zinc/18/81/18/843188118.db2.gz JIDSZKQAGNBSQB-RLFYNMQTSA-N 1 1 370.428 1.256 20 30 FDEDMO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC(=O)NC4)[C@@H]3C2)c1 ZINC001075978359 843188123 /nfs/dbraw/zinc/18/81/23/843188123.db2.gz JIDSZKQAGNBSQB-RLFYNMQTSA-N 1 1 370.428 1.256 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)cn2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088758360 843220544 /nfs/dbraw/zinc/22/05/44/843220544.db2.gz PXDJYYZRUDQFQY-CJNGLKHVSA-N 1 1 351.410 1.045 20 30 FDEDMO Cn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)ccc1=O ZINC001075984519 843243614 /nfs/dbraw/zinc/24/36/14/843243614.db2.gz GRIFGRGSYXIEHY-PKOBYXMFSA-N 1 1 362.433 1.603 20 30 FDEDMO Cn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)ccc1=O ZINC001075984519 843243623 /nfs/dbraw/zinc/24/36/23/843243623.db2.gz GRIFGRGSYXIEHY-PKOBYXMFSA-N 1 1 362.433 1.603 20 30 FDEDMO COCC1(C#N)CCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000477821038 843383378 /nfs/dbraw/zinc/38/33/78/843383378.db2.gz QNCXGAGOAOZVJK-IYBDPMFKSA-N 1 1 366.506 1.836 20 30 FDEDMO COCC1(C#N)CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000477821038 843383386 /nfs/dbraw/zinc/38/33/86/843383386.db2.gz QNCXGAGOAOZVJK-IYBDPMFKSA-N 1 1 366.506 1.836 20 30 FDEDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2c(C)cc(C#N)cc2C)CC1=O ZINC000899127465 845831395 /nfs/dbraw/zinc/83/13/95/845831395.db2.gz MPEZKWPGLOJKFG-KRWDZBQOSA-N 1 1 372.469 1.084 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccc4n[nH]cc4c3)[C@H]2C)C1=O ZINC001088824495 846430029 /nfs/dbraw/zinc/43/00/29/846430029.db2.gz IEEDVONFZMWIAM-RPVQJOFSSA-N 1 1 367.453 1.542 20 30 FDEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccc4n[nH]cc4c3)[C@H]2C)C1=O ZINC001088824495 846430035 /nfs/dbraw/zinc/43/00/35/846430035.db2.gz IEEDVONFZMWIAM-RPVQJOFSSA-N 1 1 367.453 1.542 20 30 FDEDMO N#Cc1ccc2c(c1)C[C@@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)C2 ZINC000923947173 846833891 /nfs/dbraw/zinc/83/38/91/846833891.db2.gz SLOCLQYOGBEUCE-HKUYNNGSSA-N 1 1 354.454 1.578 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(=O)NC4CC4)C[C@H]32)cc1 ZINC001076119875 847316215 /nfs/dbraw/zinc/31/62/15/847316215.db2.gz XBOSODPVHFINRU-DKSSEZFCSA-N 1 1 351.450 1.481 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)C(=O)NC4CC4)C[C@H]32)cc1 ZINC001076119875 847316220 /nfs/dbraw/zinc/31/62/20/847316220.db2.gz XBOSODPVHFINRU-DKSSEZFCSA-N 1 1 351.450 1.481 20 30 FDEDMO Cc1cc(NC[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C#N)cn1 ZINC001060100589 847359900 /nfs/dbraw/zinc/35/99/00/847359900.db2.gz ADVFMFWJAFHLMM-JFIYKMOQSA-N 1 1 355.486 1.674 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)C4CC5(CCC5)C4)[C@@H]3C2)C1=O ZINC001076149824 847412134 /nfs/dbraw/zinc/41/21/34/847412134.db2.gz CBLKJNNRKDSPBZ-CGTJXYLNSA-N 1 1 357.498 1.886 20 30 FDEDMO N#Cc1cnc(NC[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)cn1 ZINC001060103367 847429315 /nfs/dbraw/zinc/42/93/15/847429315.db2.gz VTRMKXUWWPPIIR-BPLDGKMQSA-N 1 1 351.414 1.526 20 30 FDEDMO CN1C(=O)CC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001076163720 847457837 /nfs/dbraw/zinc/45/78/37/847457837.db2.gz NWNPAFXMMVPTQX-QXAKKESOSA-N 1 1 369.440 1.331 20 30 FDEDMO CN1C(=O)CC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001076163720 847457847 /nfs/dbraw/zinc/45/78/47/847457847.db2.gz NWNPAFXMMVPTQX-QXAKKESOSA-N 1 1 369.440 1.331 20 30 FDEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cc(C(N)=O)co4)[C@@H]3C2)s1 ZINC001076231606 847604053 /nfs/dbraw/zinc/60/40/53/847604053.db2.gz KXEYIAOKWRVSHG-XHDPSFHLSA-N 1 1 370.434 1.658 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C(N)=O)co4)[C@@H]3C2)s1 ZINC001076231606 847604061 /nfs/dbraw/zinc/60/40/61/847604061.db2.gz KXEYIAOKWRVSHG-XHDPSFHLSA-N 1 1 370.434 1.658 20 30 FDEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccnc4C)C[C@H]32)nn1 ZINC001076336017 847882246 /nfs/dbraw/zinc/88/22/46/847882246.db2.gz GZYIKEVFFJRIKK-FUHWJXTLSA-N 1 1 352.442 1.514 20 30 FDEDMO N#Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)C[C@H]4CCC(=O)N4)[C@@H]3C2)ccc1F ZINC001076353701 847935282 /nfs/dbraw/zinc/93/52/82/847935282.db2.gz QSVNRBKTKLQYHZ-YXJHDRRASA-N 1 1 370.428 1.399 20 30 FDEDMO N#Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@H]4CCC(=O)N4)[C@@H]3C2)ccc1F ZINC001076353701 847935283 /nfs/dbraw/zinc/93/52/83/847935283.db2.gz QSVNRBKTKLQYHZ-YXJHDRRASA-N 1 1 370.428 1.399 20 30 FDEDMO O=C(C[C@H]1CCC(=O)N1)N1CC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001076353915 847936637 /nfs/dbraw/zinc/93/66/37/847936637.db2.gz ZPSSLHODNRHXNX-QXAKKESOSA-N 1 1 369.440 1.379 20 30 FDEDMO O=C(C[C@H]1CCC(=O)N1)N1CC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001076353915 847936642 /nfs/dbraw/zinc/93/66/42/847936642.db2.gz ZPSSLHODNRHXNX-QXAKKESOSA-N 1 1 369.440 1.379 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cccnn4)[C@@H]3C2)c(F)c1 ZINC001076389061 848025306 /nfs/dbraw/zinc/02/53/06/848025306.db2.gz DASVLKXGPBRGKF-MAUKXSAKSA-N 1 1 351.385 1.834 20 30 FDEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cccnn4)[C@@H]3C2)c(F)c1 ZINC001076389061 848025310 /nfs/dbraw/zinc/02/53/10/848025310.db2.gz DASVLKXGPBRGKF-MAUKXSAKSA-N 1 1 351.385 1.834 20 30 FDEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C#N)C2CCCCC2)CC1=O ZINC000482477985 848062707 /nfs/dbraw/zinc/06/27/07/848062707.db2.gz MRDGJRGAGWWECZ-RCCFBDPRSA-N 1 1 360.502 1.908 20 30 FDEDMO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4ncc[nH]4)[C@@H]3C2)c1 ZINC001076403040 848065714 /nfs/dbraw/zinc/06/57/14/848065714.db2.gz FWKSVZLSLXJDGW-WMLDXEAASA-N 1 1 353.401 1.696 20 30 FDEDMO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCN(C(=O)Cc4ncc[nH]4)[C@@H]3C2)c1 ZINC001076403040 848065718 /nfs/dbraw/zinc/06/57/18/848065718.db2.gz FWKSVZLSLXJDGW-WMLDXEAASA-N 1 1 353.401 1.696 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4c(C)nnn4CC)C[C@H]32)nc1 ZINC001076476138 848241024 /nfs/dbraw/zinc/24/10/24/848241024.db2.gz XQKRRNTYFOUDPH-QFBILLFUSA-N 1 1 364.453 1.329 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4c(C)nnn4CC)C[C@H]32)nc1 ZINC001076476138 848241036 /nfs/dbraw/zinc/24/10/36/848241036.db2.gz XQKRRNTYFOUDPH-QFBILLFUSA-N 1 1 364.453 1.329 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccc(OC)cc4)[C@@H]3C2)C1=O ZINC001076491102 848271059 /nfs/dbraw/zinc/27/10/59/848271059.db2.gz QSPGYVQSNQFBNO-QXAKKESOSA-N 1 1 369.465 1.628 20 30 FDEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(Cc4cc(F)ccc4C#N)C[C@H]32)C1 ZINC001076568881 848462307 /nfs/dbraw/zinc/46/23/07/848462307.db2.gz BCYFMFGJVBKONO-FRQCXROJSA-N 1 1 356.445 1.682 20 30 FDEDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000482642720 848478493 /nfs/dbraw/zinc/47/84/93/848478493.db2.gz SQTZHDHXBRFGAZ-UHFFFAOYSA-N 1 1 368.397 1.616 20 30 FDEDMO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@H+](CC4CCOCC4)C[C@H]32)CC1 ZINC001076605743 848557396 /nfs/dbraw/zinc/55/73/96/848557396.db2.gz QORDCJQOMQTMTH-VQTJNVASSA-N 1 1 359.514 1.291 20 30 FDEDMO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC4CCOCC4)C[C@H]32)CC1 ZINC001076605743 848557400 /nfs/dbraw/zinc/55/74/00/848557400.db2.gz QORDCJQOMQTMTH-VQTJNVASSA-N 1 1 359.514 1.291 20 30 FDEDMO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3nonc3C)[C@@H]2C1 ZINC001076634328 848623322 /nfs/dbraw/zinc/62/33/22/848623322.db2.gz CIYKRVHDZUERHB-GOEBONIOSA-N 1 1 367.409 1.605 20 30 FDEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@@H]2CCN(C(=O)c3nonc3C)[C@@H]2C1 ZINC001076634328 848623327 /nfs/dbraw/zinc/62/33/27/848623327.db2.gz CIYKRVHDZUERHB-GOEBONIOSA-N 1 1 367.409 1.605 20 30 FDEDMO Cc1ccncc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001076833054 849156733 /nfs/dbraw/zinc/15/67/33/849156733.db2.gz LRELENPYWAGMSC-RTBURBONSA-N 1 1 366.421 1.268 20 30 FDEDMO Cc1ccncc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001076833054 849156735 /nfs/dbraw/zinc/15/67/35/849156735.db2.gz LRELENPYWAGMSC-RTBURBONSA-N 1 1 366.421 1.268 20 30 FDEDMO C#CCC1(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001076833884 849158312 /nfs/dbraw/zinc/15/83/12/849158312.db2.gz WPYDWWJUJVBZQI-GVDBMIGSSA-N 1 1 363.502 1.158 20 30 FDEDMO COCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c1 ZINC001076855555 849213090 /nfs/dbraw/zinc/21/30/90/849213090.db2.gz BINCMHRVLOXRBN-QZTJIDSGSA-N 1 1 354.410 1.008 20 30 FDEDMO COCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c1 ZINC001076855555 849213094 /nfs/dbraw/zinc/21/30/94/849213094.db2.gz BINCMHRVLOXRBN-QZTJIDSGSA-N 1 1 354.410 1.008 20 30 FDEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCC3(F)F)C[C@H]2O)[nH]1 ZINC001076898279 849281961 /nfs/dbraw/zinc/28/19/61/849281961.db2.gz BKCSOJLYIVTOBM-KCPJHIHWSA-N 1 1 352.385 1.487 20 30 FDEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3OC3CC3)C[C@H]2O)[nH]1 ZINC001076898610 849283491 /nfs/dbraw/zinc/28/34/91/849283491.db2.gz RHOGXPMHROQTSX-QZTJIDSGSA-N 1 1 366.421 1.403 20 30 FDEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3OC3CC3)C[C@H]2O)[nH]1 ZINC001076898610 849283499 /nfs/dbraw/zinc/28/34/99/849283499.db2.gz RHOGXPMHROQTSX-QZTJIDSGSA-N 1 1 366.421 1.403 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001076925773 849353125 /nfs/dbraw/zinc/35/31/25/849353125.db2.gz YOMKJQVHXROYKD-BQFCYCMXSA-N 1 1 353.507 1.709 20 30 FDEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O ZINC001076986209 849478005 /nfs/dbraw/zinc/47/80/05/849478005.db2.gz PCYLMUCFDWWZBM-VAMGGRTRSA-N 1 1 355.482 1.072 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001077019217 849553809 /nfs/dbraw/zinc/55/38/09/849553809.db2.gz NQYWJBXJKHXCOE-WTGUMLROSA-N 1 1 372.465 1.359 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001077019217 849553817 /nfs/dbraw/zinc/55/38/17/849553817.db2.gz NQYWJBXJKHXCOE-WTGUMLROSA-N 1 1 372.465 1.359 20 30 FDEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2ccccc2C)C[C@H]1O ZINC001077159103 849955092 /nfs/dbraw/zinc/95/50/92/849955092.db2.gz OMXAOCXTWJIYCS-QHAWAJNXSA-N 1 1 369.509 1.187 20 30 FDEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)c1 ZINC001077369460 850726256 /nfs/dbraw/zinc/72/62/56/850726256.db2.gz VXGPITGMQFZHIV-MLYOOKFZSA-N 1 1 355.438 1.179 20 30 FDEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)c1 ZINC001077369460 850726258 /nfs/dbraw/zinc/72/62/58/850726258.db2.gz VXGPITGMQFZHIV-MLYOOKFZSA-N 1 1 355.438 1.179 20 30 FDEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cc3ccccc3)[C@@H](O)C2)cc1 ZINC001083576453 850849149 /nfs/dbraw/zinc/84/91/49/850849149.db2.gz ZFJXPFGEEXDXDX-UXHICEINSA-N 1 1 365.433 1.493 20 30 FDEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](NC(=O)Cc3ccccc3)[C@@H](O)C2)cc1 ZINC001083576453 850849165 /nfs/dbraw/zinc/84/91/65/850849165.db2.gz ZFJXPFGEEXDXDX-UXHICEINSA-N 1 1 365.433 1.493 20 30 FDEDMO CC1(C)CC[C@H](CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)OC1 ZINC001077412299 850883291 /nfs/dbraw/zinc/88/32/91/850883291.db2.gz UVEAVQMDSFEMAD-GUDVDZBRSA-N 1 1 371.481 1.815 20 30 FDEDMO 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ZINC000993332710 877385968 /nfs/dbraw/zinc/38/59/68/877385968.db2.gz XOSPIDWVPSMZEC-WWMYMODYSA-N 1 1 359.514 1.827 20 30 FDEDMO C=C1CC(C)(C(=O)N2C[C@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@@]3(C)C2)C1 ZINC000993395512 877832827 /nfs/dbraw/zinc/83/28/27/877832827.db2.gz JREJQXNOUNUIBZ-UZLBHIALSA-N 1 1 356.470 1.855 20 30 FDEDMO C=C(C)Cn1c(COC)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000670234481 877952904 /nfs/dbraw/zinc/95/29/04/877952904.db2.gz PZICCLSYDLTZOS-UHFFFAOYSA-N 1 1 351.495 1.795 20 30 FDEDMO C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000282132172 878231941 /nfs/dbraw/zinc/23/19/41/878231941.db2.gz UWOLYQKXCZPKSQ-SNVBAGLBSA-N 1 1 370.331 1.463 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000265866711 878305429 /nfs/dbraw/zinc/30/54/29/878305429.db2.gz UHYLSVRIYMHSEJ-RDBSUJKOSA-N 1 1 368.478 1.622 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000265866711 878305440 /nfs/dbraw/zinc/30/54/40/878305440.db2.gz UHYLSVRIYMHSEJ-RDBSUJKOSA-N 1 1 368.478 1.622 20 30 FDEDMO N#Cc1ccc(C[NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)c(F)c1 ZINC000922498106 878345199 /nfs/dbraw/zinc/34/51/99/878345199.db2.gz ZTDZECVWVDQLGW-UHFFFAOYSA-N 1 1 356.279 1.812 20 30 FDEDMO C=CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)CC2 ZINC001128048469 912373692 /nfs/dbraw/zinc/37/36/92/912373692.db2.gz MOTGKPOILYKJEV-IXDOHACOSA-N 1 1 366.469 1.574 20 30 FDEDMO CO[C@@]1(C[NH2+]Cc2cc(C#N)ccc2Br)CCS(=O)(=O)C1 ZINC000922618706 878829044 /nfs/dbraw/zinc/82/90/44/878829044.db2.gz ODHUAJMURBEWKT-CQSZACIVSA-N 1 1 373.272 1.614 20 30 FDEDMO C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC001108068928 878927982 /nfs/dbraw/zinc/92/79/82/878927982.db2.gz VUOHGRZYNXIKEO-NYVOZVTQSA-N 1 1 368.477 1.957 20 30 FDEDMO C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC001108068928 878927989 /nfs/dbraw/zinc/92/79/89/878927989.db2.gz VUOHGRZYNXIKEO-NYVOZVTQSA-N 1 1 368.477 1.957 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922731098 879131933 /nfs/dbraw/zinc/13/19/33/879131933.db2.gz LGLSFNARKFIUJL-VMENWCDDSA-N 1 1 351.491 1.499 20 30 FDEDMO C#CCC1(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCCCC1 ZINC000922834264 879426970 /nfs/dbraw/zinc/42/69/70/879426970.db2.gz ILKAWAQSAATTFN-UHFFFAOYSA-N 1 1 363.502 1.893 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001004535769 879813193 /nfs/dbraw/zinc/81/31/93/879813193.db2.gz MHGGIZWHTWIUCQ-SQNIBIBYSA-N 1 1 363.502 1.415 20 30 FDEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[C@@H]3N3CCCC3=O)CC[C@@H]2C1 ZINC000946627729 879866813 /nfs/dbraw/zinc/86/68/13/879866813.db2.gz CNLNZFCPNUXSBU-WCIQWLHISA-N 1 1 371.525 1.971 20 30 FDEDMO C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000993913801 880131033 /nfs/dbraw/zinc/13/10/33/880131033.db2.gz MGGYKPYXQJQTSG-UKRRQHHQSA-N 1 1 357.458 1.195 20 30 FDEDMO C[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000993914237 880132311 /nfs/dbraw/zinc/13/23/11/880132311.db2.gz NQIVQUMPWLKIBW-KKVAFCGZSA-N 1 1 369.469 1.197 20 30 FDEDMO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1O ZINC001083936247 912600219 /nfs/dbraw/zinc/60/02/19/912600219.db2.gz FGNBASNVRAWRMH-SJORKVTESA-N 1 1 353.422 1.622 20 30 FDEDMO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1O ZINC001083936247 912600230 /nfs/dbraw/zinc/60/02/30/912600230.db2.gz FGNBASNVRAWRMH-SJORKVTESA-N 1 1 353.422 1.622 20 30 FDEDMO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)CCOc1ccc(C#N)cc1 ZINC000272733185 881191110 /nfs/dbraw/zinc/19/11/10/881191110.db2.gz DDNNSODLOHMWMG-QGZVFWFLSA-N 1 1 360.458 1.419 20 30 FDEDMO Fc1cccc2[nH]cc(C=NNC(=S)NCCC[NH+]3CCOCC3)c21 ZINC000763346971 881200277 /nfs/dbraw/zinc/20/02/77/881200277.db2.gz XAMIBPQNDKXFEZ-UHFFFAOYSA-N 1 1 363.462 1.827 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cn[nH]c2-c2cnn(C)c2)C[C@H]1C ZINC001106862309 881267978 /nfs/dbraw/zinc/26/79/78/881267978.db2.gz YUPVLFRLILIRDM-DGCLKSJQSA-N 1 1 362.865 1.860 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2[nH]c(C)cc2C)[C@H](C)C1 ZINC000994243048 881317489 /nfs/dbraw/zinc/31/74/89/881317489.db2.gz AEHTXZUKFXAVCZ-NXHRZFHOSA-N 1 1 370.497 1.553 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2[nH]c(C)cc2C)[C@H](C)C1 ZINC000994243048 881317510 /nfs/dbraw/zinc/31/75/10/881317510.db2.gz AEHTXZUKFXAVCZ-NXHRZFHOSA-N 1 1 370.497 1.553 20 30 FDEDMO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2ncoc2C)[C@@H](n2ccnn2)C1 ZINC001128758030 883228601 /nfs/dbraw/zinc/22/86/01/883228601.db2.gz MSFXDFPIEGAJSB-CVEARBPZSA-N 1 1 358.446 1.976 20 30 FDEDMO CCN(C(=O)[C@H]1OCCO[C@H]1C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033861331 883283134 /nfs/dbraw/zinc/28/31/34/883283134.db2.gz GUXBQPJVLVLGGG-SNRMKQJTSA-N 1 1 357.454 1.785 20 30 FDEDMO COc1ccccc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083978594 912716651 /nfs/dbraw/zinc/71/66/51/912716651.db2.gz YDIAEGGOAMYXPI-MSOLQXFVSA-N 1 1 351.406 1.542 20 30 FDEDMO COc1ccccc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083978594 912716658 /nfs/dbraw/zinc/71/66/58/912716658.db2.gz YDIAEGGOAMYXPI-MSOLQXFVSA-N 1 1 351.406 1.542 20 30 FDEDMO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC/C=C/CC)C[C@@H]1n1ccnn1 ZINC001128786461 883576854 /nfs/dbraw/zinc/57/68/54/883576854.db2.gz WDXRTMAVGWYXIA-CYRIWFJWSA-N 1 1 361.490 1.957 20 30 FDEDMO CCOCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1n1ccnn1 ZINC001128807361 883692368 /nfs/dbraw/zinc/69/23/68/883692368.db2.gz QJQWCJUNIFWLCI-MSOLQXFVSA-N 1 1 368.441 1.118 20 30 FDEDMO CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1n1ccnn1 ZINC001128807361 883692373 /nfs/dbraw/zinc/69/23/73/883692373.db2.gz QJQWCJUNIFWLCI-MSOLQXFVSA-N 1 1 368.441 1.118 20 30 FDEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@@H]1n1ccnn1 ZINC001128811903 883700652 /nfs/dbraw/zinc/70/06/52/883700652.db2.gz IIEIVZYHHPJPQJ-MOPGFXCFSA-N 1 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ZINC001128903229 884021473 /nfs/dbraw/zinc/02/14/73/884021473.db2.gz LAIHLUHCVOVAKQ-MSOLQXFVSA-N 1 1 367.457 1.880 20 30 FDEDMO C#CCCCCC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001128914354 884103254 /nfs/dbraw/zinc/10/32/54/884103254.db2.gz VZYGIUVFGVCQBF-MSOLQXFVSA-N 1 1 359.474 1.240 20 30 FDEDMO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001128914354 884103259 /nfs/dbraw/zinc/10/32/59/884103259.db2.gz VZYGIUVFGVCQBF-MSOLQXFVSA-N 1 1 359.474 1.240 20 30 FDEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC001034436181 884367769 /nfs/dbraw/zinc/36/77/69/884367769.db2.gz PKBSQXAEAILVAJ-JENIJYKNSA-N 1 1 356.470 1.758 20 30 FDEDMO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@@H]1n1ccnn1 ZINC001128958061 884452911 /nfs/dbraw/zinc/45/29/11/884452911.db2.gz OAZURKQNWOSSEZ-MSOLQXFVSA-N 1 1 352.442 1.327 20 30 FDEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2C)C[C@@H]1n1ccnn1 ZINC001128958061 884452918 /nfs/dbraw/zinc/45/29/18/884452918.db2.gz 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FDEDMO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(CC)[nH]n2)C[C@@H]1n1ccnn1 ZINC001129598377 938461630 /nfs/dbraw/zinc/46/16/30/938461630.db2.gz ITYFWONUNJLJOK-XYPHTWIQSA-N 1 1 357.462 1.574 20 30 FDEDMO CCCCCCC[NH2+][C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@@H]1n1ccnn1 ZINC001129624300 938471871 /nfs/dbraw/zinc/47/18/71/938471871.db2.gz HQLDQERJSXPEFH-SJORKVTESA-N 1 1 359.478 1.935 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](C)OCCCC)C[C@@H]1n1ccnn1 ZINC001129674985 938490251 /nfs/dbraw/zinc/49/02/51/938490251.db2.gz CMYJIVISQJRTIV-ZNMIVQPWSA-N 1 1 355.870 1.577 20 30 FDEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001086624912 938515610 /nfs/dbraw/zinc/51/56/10/938515610.db2.gz AQANKEQJCUZRSO-XUVXKRRUSA-N 1 1 355.482 1.315 20 30 FDEDMO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001086624912 938515611 /nfs/dbraw/zinc/51/56/11/938515611.db2.gz AQANKEQJCUZRSO-XUVXKRRUSA-N 1 1 355.482 1.315 20 30 FDEDMO C[C@@H]([NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1n1ccnn1)c1cnccn1 ZINC001129824750 938522708 /nfs/dbraw/zinc/52/27/08/938522708.db2.gz AOSXMDVXYGISAN-OIISXLGYSA-N 1 1 367.457 1.220 20 30 FDEDMO C=C(Br)C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1n1ccnn1 ZINC001129825530 938523137 /nfs/dbraw/zinc/52/31/37/938523137.db2.gz YXZGGKXOSVYQLA-KGLIPLIRSA-N 1 1 366.263 1.188 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3c[nH]nc32)C[C@@H]1n1ccnn1 ZINC001129858426 938530181 /nfs/dbraw/zinc/53/01/81/938530181.db2.gz VXYBTLLNLNDLJY-OAGGEKHMSA-N 1 1 355.446 1.039 20 30 FDEDMO C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2oc(CC)nc2C)[C@@H](n2ccnn2)C1 ZINC001129834011 938533234 /nfs/dbraw/zinc/53/32/34/938533234.db2.gz LDYZAFJHOUGMLM-CVEARBPZSA-N 1 1 370.457 1.482 20 30 FDEDMO C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001086625695 938533710 /nfs/dbraw/zinc/53/37/10/938533710.db2.gz RTHCSBRUESNNHL-CEXWTWQISA-N 1 1 363.465 1.448 20 30 FDEDMO 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ZINC001130050142 938637048 /nfs/dbraw/zinc/63/70/48/938637048.db2.gz KVBBEMXSTYKANC-CVEARBPZSA-N 1 1 351.414 1.386 20 30 FDEDMO C#C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)c1ccc(Cl)cc1F ZINC000805102613 938661948 /nfs/dbraw/zinc/66/19/48/938661948.db2.gz PCSSFCQCEOIYMT-BBRMVZONSA-N 1 1 352.841 1.698 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)/C=C(\C)C2CC2)n1 ZINC001130186398 938731947 /nfs/dbraw/zinc/73/19/47/938731947.db2.gz BGJKMGCCZKWLOP-TZCWYCDXSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=C(C)C2CC2)n[nH]1 ZINC001130186398 938731948 /nfs/dbraw/zinc/73/19/48/938731948.db2.gz BGJKMGCCZKWLOP-TZCWYCDXSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)CC)n1 ZINC001130186848 938732667 /nfs/dbraw/zinc/73/26/67/938732667.db2.gz OFHOGTWFPOFNBQ-ILXRZTDVSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)CC)n[nH]1 ZINC001130186848 938732668 /nfs/dbraw/zinc/73/26/68/938732668.db2.gz OFHOGTWFPOFNBQ-ILXRZTDVSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCC[C@H](C)O)n[nH]1 ZINC001130192937 938737476 /nfs/dbraw/zinc/73/74/76/938737476.db2.gz BNTMKHAYQPPVKB-KKUMJFAQSA-N 1 1 365.478 1.010 20 30 FDEDMO C=CCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCC[C@H](C)O)n1 ZINC001130192937 938737477 /nfs/dbraw/zinc/73/74/77/938737477.db2.gz BNTMKHAYQPPVKB-KKUMJFAQSA-N 1 1 365.478 1.010 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CCCCCC2)[nH]1 ZINC001130193313 938738081 /nfs/dbraw/zinc/73/80/81/938738081.db2.gz RHTYSGLECPWRAS-HOTGVXAUSA-N 1 1 359.474 1.487 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc[nH]c2C)n1 ZINC001130195911 938739063 /nfs/dbraw/zinc/73/90/63/938739063.db2.gz IJFDXMGQTCCXQM-GJZGRUSLSA-N 1 1 358.446 1.409 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc[nH]c2C)n[nH]1 ZINC001130195911 938739064 /nfs/dbraw/zinc/73/90/64/938739064.db2.gz IJFDXMGQTCCXQM-GJZGRUSLSA-N 1 1 358.446 1.409 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)n1 ZINC001130198657 938740870 /nfs/dbraw/zinc/74/08/70/938740870.db2.gz UBIWYRQYVWWSOJ-ULQWZQFMSA-N 1 1 371.485 1.343 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC001130198657 938740872 /nfs/dbraw/zinc/74/08/72/938740872.db2.gz UBIWYRQYVWWSOJ-ULQWZQFMSA-N 1 1 371.485 1.343 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccoc2)n1 ZINC001130183173 938742469 /nfs/dbraw/zinc/74/24/69/938742469.db2.gz UIFBSQNYUDSFGZ-GJZGRUSLSA-N 1 1 359.430 1.756 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccoc2)n[nH]1 ZINC001130183173 938742471 /nfs/dbraw/zinc/74/24/71/938742471.db2.gz UIFBSQNYUDSFGZ-GJZGRUSLSA-N 1 1 359.430 1.756 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccoc2C)n1 ZINC001130183171 938742497 /nfs/dbraw/zinc/74/24/97/938742497.db2.gz UCXCURXIENPUMP-GJZGRUSLSA-N 1 1 357.414 1.122 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccoc2C)n[nH]1 ZINC001130183171 938742499 /nfs/dbraw/zinc/74/24/99/938742499.db2.gz UCXCURXIENPUMP-GJZGRUSLSA-N 1 1 357.414 1.122 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC=CCC2)n1 ZINC001130183091 938742539 /nfs/dbraw/zinc/74/25/39/938742539.db2.gz PJVZSWIDRJEOET-PMPSAXMXSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC=CCC2)n[nH]1 ZINC001130183091 938742541 /nfs/dbraw/zinc/74/25/41/938742541.db2.gz PJVZSWIDRJEOET-PMPSAXMXSA-N 1 1 359.474 1.815 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)CCCC)[nH]1 ZINC001130185008 938744042 /nfs/dbraw/zinc/74/40/42/938744042.db2.gz RLOQLEPVSBTXKD-JYJNAYRXSA-N 1 1 361.490 1.733 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C=Cc2ccc[nH]2)n1 ZINC001130204747 938745830 /nfs/dbraw/zinc/74/58/30/938745830.db2.gz IYJLJHDTHFDYKW-KQLNYGGHSA-N 1 1 370.457 1.501 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=Cc2ccc[nH]2)n[nH]1 ZINC001130204747 938745832 /nfs/dbraw/zinc/74/58/32/938745832.db2.gz IYJLJHDTHFDYKW-KQLNYGGHSA-N 1 1 370.457 1.501 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2coc(C)c2)n1 ZINC001130205353 938746006 /nfs/dbraw/zinc/74/60/06/938746006.db2.gz XKNIAOAMTABVLF-GJZGRUSLSA-N 1 1 359.430 1.674 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2coc(C)c2)n[nH]1 ZINC001130205353 938746008 /nfs/dbraw/zinc/74/60/08/938746008.db2.gz XKNIAOAMTABVLF-GJZGRUSLSA-N 1 1 359.430 1.674 20 30 FDEDMO CC(C)C#CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CCC2)n[nH]1 ZINC001130209481 938747641 /nfs/dbraw/zinc/74/76/41/938747641.db2.gz CFWMUQSMILNGNE-HOTGVXAUSA-N 1 1 359.474 1.343 20 30 FDEDMO CC(C)C#CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CCC2)n1 ZINC001130209481 938747642 /nfs/dbraw/zinc/74/76/42/938747642.db2.gz CFWMUQSMILNGNE-HOTGVXAUSA-N 1 1 359.474 1.343 20 30 FDEDMO C#CCC1(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CC3CC3)n[nH]2)CCC1 ZINC001130215772 938751950 /nfs/dbraw/zinc/75/19/50/938751950.db2.gz FMBJDZAHVZHENL-HOTGVXAUSA-N 1 1 371.485 1.487 20 30 FDEDMO C#CCC1(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CC3CC3)n2)CCC1 ZINC001130215772 938751953 /nfs/dbraw/zinc/75/19/53/938751953.db2.gz FMBJDZAHVZHENL-HOTGVXAUSA-N 1 1 371.485 1.487 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCCO2)n1 ZINC001130200851 938754390 /nfs/dbraw/zinc/75/43/90/938754390.db2.gz YGXOISFPJAVASD-ZNMIVQPWSA-N 1 1 363.462 1.028 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CCCCO2)n[nH]1 ZINC001130200851 938754392 /nfs/dbraw/zinc/75/43/92/938754392.db2.gz YGXOISFPJAVASD-ZNMIVQPWSA-N 1 1 363.462 1.028 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2(C)CC2)[nH]1 ZINC001130224818 938758906 /nfs/dbraw/zinc/75/89/06/938758906.db2.gz CWVGDDSLNOWGSX-STQMWFEESA-N 1 1 367.881 1.826 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@]23C[C@@H]2CCCC3)[nH]1 ZINC001130240061 938759803 /nfs/dbraw/zinc/75/98/03/938759803.db2.gz GRLAXNCRFVHUNH-ULMVMLMRSA-N 1 1 371.485 1.487 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnco2)n1 ZINC001130225268 938759808 /nfs/dbraw/zinc/75/98/08/938759808.db2.gz ZMLWAFZOCHMGAK-STQMWFEESA-N 1 1 360.418 1.151 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnco2)n[nH]1 ZINC001130225268 938759810 /nfs/dbraw/zinc/75/98/10/938759810.db2.gz ZMLWAFZOCHMGAK-STQMWFEESA-N 1 1 360.418 1.151 20 30 FDEDMO C=C/C(C)=C\CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CC)[nH]1 ZINC001130227599 938761331 /nfs/dbraw/zinc/76/13/31/938761331.db2.gz GIIWYFDYYSCQOJ-BKZJWICZSA-N 1 1 357.458 1.429 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](F)C(C)C)n1 ZINC001130227634 938761487 /nfs/dbraw/zinc/76/14/87/938761487.db2.gz IHLPHVJAUFSDFA-DZKIICNBSA-N 1 1 367.469 1.843 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](F)C(C)C)n[nH]1 ZINC001130227634 938761488 /nfs/dbraw/zinc/76/14/88/938761488.db2.gz IHLPHVJAUFSDFA-DZKIICNBSA-N 1 1 367.469 1.843 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@]2(C)C=CCC2)n1 ZINC001130227684 938761658 /nfs/dbraw/zinc/76/16/58/938761658.db2.gz KCIGHKBMIXKUGA-DOXZYTNZSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@]2(C)C=CCC2)n[nH]1 ZINC001130227684 938761660 /nfs/dbraw/zinc/76/16/60/938761660.db2.gz KCIGHKBMIXKUGA-DOXZYTNZSA-N 1 1 359.474 1.815 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)[nH]1 ZINC001130230181 938763924 /nfs/dbraw/zinc/76/39/24/938763924.db2.gz QCVJWBVUDDZWIU-QEOTZNIISA-N 1 1 371.485 1.343 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccoc2C2CC2)n1 ZINC001130232509 938765095 /nfs/dbraw/zinc/76/50/95/938765095.db2.gz JKDSPKPJYLXACF-ZFWWWQNUSA-N 1 1 371.441 1.853 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccoc2C2CC2)n[nH]1 ZINC001130232509 938765097 /nfs/dbraw/zinc/76/50/97/938765097.db2.gz JKDSPKPJYLXACF-ZFWWWQNUSA-N 1 1 371.441 1.853 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2CC)n1 ZINC001130237823 938767105 /nfs/dbraw/zinc/76/71/05/938767105.db2.gz FZUGGEXVGYGSMY-QXSJWSMHSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]2CC)n[nH]1 ZINC001130237823 938767106 /nfs/dbraw/zinc/76/71/06/938767106.db2.gz FZUGGEXVGYGSMY-QXSJWSMHSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@H](F)CC)n[nH]1 ZINC001130238028 938767504 /nfs/dbraw/zinc/76/75/04/938767504.db2.gz POQNUSCLUVCYRY-ILXRZTDVSA-N 1 1 367.469 1.987 20 30 FDEDMO C=CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@H](F)CC)n1 ZINC001130238028 938767506 /nfs/dbraw/zinc/76/75/06/938767506.db2.gz POQNUSCLUVCYRY-ILXRZTDVSA-N 1 1 367.469 1.987 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2C2CCC2)n1 ZINC001130242217 938769651 /nfs/dbraw/zinc/76/96/51/938769651.db2.gz MEVRJMDENSUBJN-NXOAAHMSSA-N 1 1 371.485 1.343 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]2C2CCC2)n[nH]1 ZINC001130242217 938769652 /nfs/dbraw/zinc/76/96/52/938769652.db2.gz MEVRJMDENSUBJN-NXOAAHMSSA-N 1 1 371.485 1.343 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](CC)C(C)C)[nH]1 ZINC001130246699 938771678 /nfs/dbraw/zinc/77/16/78/938771678.db2.gz NCOWQOTWQHHZRK-JYJNAYRXSA-N 1 1 361.490 1.589 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)c2ccccc2)n1 ZINC001130246716 938772079 /nfs/dbraw/zinc/77/20/79/938772079.db2.gz NJARHNBRAGEYQW-PVAVHDDUSA-N 1 1 369.469 1.873 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)c2ccccc2)n[nH]1 ZINC001130246716 938772082 /nfs/dbraw/zinc/77/20/82/938772082.db2.gz NJARHNBRAGEYQW-PVAVHDDUSA-N 1 1 369.469 1.873 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccn2CC)[nH]1 ZINC001130249262 938773519 /nfs/dbraw/zinc/77/35/19/938773519.db2.gz UFMWKESZURNKFB-HOCLYGCPSA-N 1 1 370.457 1.042 20 30 FDEDMO C=CC(C)(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001130604717 939916142 /nfs/dbraw/zinc/91/61/42/939916142.db2.gz KQRRQIBAMPACEZ-DOTOQJQBSA-N 1 1 371.489 1.235 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130632560 939935913 /nfs/dbraw/zinc/93/59/13/939935913.db2.gz GCEUFEOEYLKGJL-PKOBYXMFSA-N 1 1 371.529 1.592 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(F)cc3)n[nH]2)O1 ZINC001130749953 940057718 /nfs/dbraw/zinc/05/77/18/940057718.db2.gz WFNONTCYJBWXSL-JKSUJKDBSA-N 1 1 371.416 1.707 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CO[C@H](C)CC)n[nH]2)O1 ZINC001130775094 940091755 /nfs/dbraw/zinc/09/17/55/940091755.db2.gz LCSHRDONDSHRRD-HZSPNIEDSA-N 1 1 351.451 1.232 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ncccc3C)n[nH]2)O1 ZINC001130775252 940092397 /nfs/dbraw/zinc/09/23/97/940092397.db2.gz QANJTNVKBVVKFM-LSDHHAIUSA-N 1 1 370.457 1.824 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CCCCO3)n[nH]2)O1 ZINC001130775411 940092408 /nfs/dbraw/zinc/09/24/08/940092408.db2.gz UYXOZHGKUQFZQR-ZNMIVQPWSA-N 1 1 363.462 1.376 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CO[C@H](C)CC)n[nH]2)O1 ZINC001130775238 940092662 /nfs/dbraw/zinc/09/26/62/940092662.db2.gz PWCYXOCSQOIWIL-QLFBSQMISA-N 1 1 363.462 1.069 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](CC)OCC)n[nH]2)O1 ZINC001130765553 940097071 /nfs/dbraw/zinc/09/70/71/940097071.db2.gz XOAQQCXHEFOYGQ-SOUVJXGZSA-N 1 1 365.478 1.622 20 30 FDEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC[C@@H](C)F)O2)n1 ZINC001130769261 940106019 /nfs/dbraw/zinc/10/60/19/940106019.db2.gz AEBSNGQQPNSWOT-HZSPNIEDSA-N 1 1 369.441 1.181 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)COC)n[nH]2)O1 ZINC001130769431 940106476 /nfs/dbraw/zinc/10/64/76/940106476.db2.gz JIJJKLPMDPRWKZ-HZSPNIEDSA-N 1 1 351.451 1.089 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)CSC)n[nH]2)O1 ZINC001130772344 940111441 /nfs/dbraw/zinc/11/14/41/940111441.db2.gz ILVADPSJLSSWKW-MELADBBJSA-N 1 1 367.519 1.806 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](CC)SC)n[nH]2)O1 ZINC001130776616 940126514 /nfs/dbraw/zinc/12/65/14/940126514.db2.gz ICXVGNWGDXCUEK-BFHYXJOUSA-N 1 1 365.503 1.396 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[C@H](C)OC)n[nH]2)O1 ZINC001130778418 940132054 /nfs/dbraw/zinc/13/20/54/940132054.db2.gz XHEXDAGUVWXMCS-SOUVJXGZSA-N 1 1 363.462 1.069 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H](C)SC)n[nH]2)O1 ZINC001130781050 940135830 /nfs/dbraw/zinc/13/58/30/940135830.db2.gz MQIOSLGWXGLXPQ-MELADBBJSA-N 1 1 367.519 1.948 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCc3ccccn3)n[nH]2)O1 ZINC001130794484 940146220 /nfs/dbraw/zinc/14/62/20/940146220.db2.gz VUZWHMYMAICZEG-JKSUJKDBSA-N 1 1 370.457 1.444 20 30 FDEDMO C=C/C(C)=C/CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n1 ZINC001130796427 940151525 /nfs/dbraw/zinc/15/15/25/940151525.db2.gz QTRAWIFMRSFPRJ-DMNRVOQQSA-N 1 1 357.458 1.776 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCC(C)(F)F)n[nH]2)O1 ZINC001130790106 940162236 /nfs/dbraw/zinc/16/22/36/940162236.db2.gz HXBOCFQETUDPCM-NWDGAFQWSA-N 1 1 357.405 1.852 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c(C)cncc3C)n[nH]2)O1 ZINC001130792716 940172483 /nfs/dbraw/zinc/17/24/83/940172483.db2.gz UGKLADIWWUWVAY-LSDHHAIUSA-N 1 1 370.457 1.742 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC34CC4)n[nH]2)O1 ZINC001130809342 940187404 /nfs/dbraw/zinc/18/74/04/940187404.db2.gz SQTIPLJCSKNCOC-SOUVJXGZSA-N 1 1 359.474 1.997 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COc3ccccc3)n[nH]2)O1 ZINC001130817191 940220801 /nfs/dbraw/zinc/22/08/01/940220801.db2.gz FCCQTXJRANTNQO-JKSUJKDBSA-N 1 1 371.441 1.496 20 30 FDEDMO C=CCCOCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n1 ZINC001130820254 940227924 /nfs/dbraw/zinc/22/79/24/940227924.db2.gz PWKRFQQAGYTXNI-UONOGXRCSA-N 1 1 369.441 1.183 20 30 FDEDMO C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000807336711 940324755 /nfs/dbraw/zinc/32/47/55/940324755.db2.gz JTHYBCBAIFGLSJ-QGZVFWFLSA-N 1 1 373.416 1.957 20 30 FDEDMO Cc1cc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cncn2C)nn1C ZINC001130991409 940414158 /nfs/dbraw/zinc/41/41/58/940414158.db2.gz ISKNCAZPTQJSJY-QZTJIDSGSA-N 1 1 368.485 1.206 20 30 FDEDMO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1c1cncn1C ZINC001131015117 940448676 /nfs/dbraw/zinc/44/86/76/940448676.db2.gz OLMRMCWPPVVHKL-YFHUEUNASA-N 1 1 368.485 1.797 20 30 FDEDMO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1c1cncn1C ZINC001131040100 940468096 /nfs/dbraw/zinc/46/80/96/940468096.db2.gz LPUNQPMNVKJXGT-NWANDNLSSA-N 1 1 357.462 1.399 20 30 FDEDMO C=CCO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=C)Cl)C1 ZINC001131136438 940513508 /nfs/dbraw/zinc/51/35/08/940513508.db2.gz NFMILCCQUUFWFC-RRFJBIMHSA-N 1 1 352.866 1.648 20 30 FDEDMO C#CCNC(=O)C1CC[NH+](CN2C(=O)C(C)(C)[C@@H]2c2ccncc2)CC1 ZINC000808149137 940522619 /nfs/dbraw/zinc/52/26/19/940522619.db2.gz ASSCFPMMBLKMHN-KRWDZBQOSA-N 1 1 354.454 1.410 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CSC)C1 ZINC001131297730 940544930 /nfs/dbraw/zinc/54/49/30/940544930.db2.gz KIDJCGDQPVOTSN-ZNMIVQPWSA-N 1 1 353.488 1.422 20 30 FDEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCCC(C)C)C1 ZINC001131313672 940553326 /nfs/dbraw/zinc/55/33/26/940553326.db2.gz ZMPXSCZPWUVVBA-KSZLIROESA-N 1 1 361.486 1.942 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCCC(C)C)C1 ZINC001131313672 940553327 /nfs/dbraw/zinc/55/33/27/940553327.db2.gz ZMPXSCZPWUVVBA-KSZLIROESA-N 1 1 361.486 1.942 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccncn2)C1 ZINC001131313615 940553352 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30 FDEDMO N#Cc1ccc(N2CCC(C(=O)N3CC([N@@H+]4CC[C@@H](O)C4)C3)CC2)c(F)c1 ZINC000593855566 552210531 /nfs/dbraw/zinc/21/05/31/552210531.db2.gz JMRXMELGYKWCBN-QGZVFWFLSA-N 1 1 372.444 1.191 20 30 FDEDMO N#Cc1ccc(N2CCC(C(=O)N3CC([N@H+]4CC[C@@H](O)C4)C3)CC2)c(F)c1 ZINC000593855566 552210533 /nfs/dbraw/zinc/21/05/33/552210533.db2.gz JMRXMELGYKWCBN-QGZVFWFLSA-N 1 1 372.444 1.191 20 30 FDEDMO COCC[N@@H+](CCC(=O)Nc1ccccc1C#N)C[C@@H](O)C(F)(F)F ZINC000594018391 552238717 /nfs/dbraw/zinc/23/87/17/552238717.db2.gz WOFGCNRNWCISLD-CQSZACIVSA-N 1 1 359.348 1.758 20 30 FDEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594025859 552240562 /nfs/dbraw/zinc/24/05/62/552240562.db2.gz UDUHGIGBDXOZEJ-OWCLPIDISA-N 1 1 374.510 1.770 20 30 FDEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000594026700 552240719 /nfs/dbraw/zinc/24/07/19/552240719.db2.gz IIUJNFMWWWDRDU-YSIASYRMSA-N 1 1 370.497 1.689 20 30 FDEDMO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000594262522 552272875 /nfs/dbraw/zinc/27/28/75/552272875.db2.gz QENOAAMXUQJYNB-QFBILLFUSA-N 1 1 370.497 1.796 20 30 FDEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000594789342 552385297 /nfs/dbraw/zinc/38/52/97/552385297.db2.gz LNXYQVVLBUYLQC-ZDUSSCGKSA-N 1 1 365.455 1.496 20 30 FDEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000594789342 552385301 /nfs/dbraw/zinc/38/53/01/552385301.db2.gz LNXYQVVLBUYLQC-ZDUSSCGKSA-N 1 1 365.455 1.496 20 30 FDEDMO Cn1ncnc1Cn1c2c(cc(C#N)c1=O)C[N@H+](Cc1ccccc1)CC2 ZINC000594929779 552424564 /nfs/dbraw/zinc/42/45/64/552424564.db2.gz ZLNHFGLQAFFPPW-UHFFFAOYSA-N 1 1 360.421 1.455 20 30 FDEDMO C[C@]1(C#N)CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000595168770 552475400 /nfs/dbraw/zinc/47/54/00/552475400.db2.gz DMHQIWKDWRNSPS-LVCYWYKZSA-N 1 1 366.465 1.339 20 30 FDEDMO N#CCc1ccc(CS(=O)(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595383691 552543467 /nfs/dbraw/zinc/54/34/67/552543467.db2.gz CFNSAEAODQKPLP-SFHVURJKSA-N 1 1 363.483 1.113 20 30 FDEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595392029 552546898 /nfs/dbraw/zinc/54/68/98/552546898.db2.gz FRLQWCKKEWDSLN-WBVHZDCISA-N 1 1 350.488 1.577 20 30 FDEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000595392029 552546899 /nfs/dbraw/zinc/54/68/99/552546899.db2.gz FRLQWCKKEWDSLN-WBVHZDCISA-N 1 1 350.488 1.577 20 30 FDEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000595470729 552568064 /nfs/dbraw/zinc/56/80/64/552568064.db2.gz QYSCZWJGDZDDOJ-UXHICEINSA-N 1 1 373.497 1.679 20 30 FDEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000595505438 552574301 /nfs/dbraw/zinc/57/43/01/552574301.db2.gz UGQZAICUWLTGEL-AZUAARDMSA-N 1 1 361.534 1.096 20 30 FDEDMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCC[C@H](CC#N)C1 ZINC000595516669 552577059 /nfs/dbraw/zinc/57/70/59/552577059.db2.gz KSAJBWMRYMREGF-ZWKOTPCHSA-N 1 1 370.501 1.927 20 30 FDEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595607943 552591556 /nfs/dbraw/zinc/59/15/56/552591556.db2.gz LXFAZFWYAXINQN-DLBZAZTESA-N 1 1 352.442 1.935 20 30 FDEDMO COc1cc(CNC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)cc(OC)c1OC ZINC000595611649 552592723 /nfs/dbraw/zinc/59/27/23/552592723.db2.gz MOSUGJVSUNNWSV-AWEZNQCLSA-N 1 1 361.442 1.954 20 30 FDEDMO COc1cc(CNC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)cc(OC)c1OC ZINC000595611649 552592724 /nfs/dbraw/zinc/59/27/24/552592724.db2.gz MOSUGJVSUNNWSV-AWEZNQCLSA-N 1 1 361.442 1.954 20 30 FDEDMO CO[C@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000595663735 552599516 /nfs/dbraw/zinc/59/95/16/552599516.db2.gz TTZXEEXOWRDBNM-HNAYVOBHSA-N 1 1 363.433 1.934 20 30 FDEDMO CO[C@]1(CO)CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000595663735 552599517 /nfs/dbraw/zinc/59/95/17/552599517.db2.gz TTZXEEXOWRDBNM-HNAYVOBHSA-N 1 1 363.433 1.934 20 30 FDEDMO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595694392 552603556 /nfs/dbraw/zinc/60/35/56/552603556.db2.gz XMPJOYUYSYSFNN-LSDHHAIUSA-N 1 1 371.489 1.441 20 30 FDEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCO)CC1 ZINC000595698503 552604012 /nfs/dbraw/zinc/60/40/12/552604012.db2.gz MPOHDZPTWMAGPV-KURKYZTESA-N 1 1 350.507 1.162 20 30 FDEDMO C=CCCSCCNC(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000595724901 552607135 /nfs/dbraw/zinc/60/71/35/552607135.db2.gz AIGKFXGGTJYQAQ-UHFFFAOYSA-N 1 1 370.563 1.881 20 30 FDEDMO C=CCCSCCNC(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000595724901 552607136 /nfs/dbraw/zinc/60/71/36/552607136.db2.gz AIGKFXGGTJYQAQ-UHFFFAOYSA-N 1 1 370.563 1.881 20 30 FDEDMO CCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000595806973 552618133 /nfs/dbraw/zinc/61/81/33/552618133.db2.gz NPMULKKKMGZJJV-WMZOPIPTSA-N 1 1 369.469 1.837 20 30 FDEDMO CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 ZINC000595808055 552618626 /nfs/dbraw/zinc/61/86/26/552618626.db2.gz RTHHIPSTHUAQKY-LSDHHAIUSA-N 1 1 357.462 1.053 20 30 FDEDMO N#Cc1ccc(-c2nnc(CN3CCC([N@H+]4CC[C@H](O)C4)CC3)o2)cc1 ZINC000595864805 552625581 /nfs/dbraw/zinc/62/55/81/552625581.db2.gz CXPFJXVBEPHAOO-KRWDZBQOSA-N 1 1 353.426 1.639 20 30 FDEDMO C[C@@]1(C#N)CCN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000596486299 552683170 /nfs/dbraw/zinc/68/31/70/552683170.db2.gz ILVBTGGYSOIVGS-APWZRJJASA-N 1 1 355.442 1.904 20 30 FDEDMO C[C@@]1(C#N)CCN(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000596486299 552683172 /nfs/dbraw/zinc/68/31/72/552683172.db2.gz ILVBTGGYSOIVGS-APWZRJJASA-N 1 1 355.442 1.904 20 30 FDEDMO C=CCCSCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000596717350 552704626 /nfs/dbraw/zinc/70/46/26/552704626.db2.gz MHJAFSLKFOPOJK-OAHLLOKOSA-N 1 1 354.520 1.244 20 30 FDEDMO CCN(C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000596877287 552720236 /nfs/dbraw/zinc/72/02/36/552720236.db2.gz PIXXEHBLUZANAG-DZGCQCFKSA-N 1 1 364.471 1.930 20 30 FDEDMO N#CC1(CC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CCOCC1 ZINC000596890276 552722089 /nfs/dbraw/zinc/72/20/89/552722089.db2.gz BXSMRMYNCUNABX-KRWDZBQOSA-N 1 1 370.453 1.785 20 30 FDEDMO N#CC1(CC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CCOCC1 ZINC000596890276 552722090 /nfs/dbraw/zinc/72/20/90/552722090.db2.gz BXSMRMYNCUNABX-KRWDZBQOSA-N 1 1 370.453 1.785 20 30 FDEDMO COCCNC(=O)CN1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596980303 552731044 /nfs/dbraw/zinc/73/10/44/552731044.db2.gz LGNHEKOPHZOPLH-UHFFFAOYSA-N 1 1 356.470 1.122 20 30 FDEDMO CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@@H+](Cc1cnc3ccc(C#N)cn13)C2 ZINC000597198408 552759548 /nfs/dbraw/zinc/75/95/48/552759548.db2.gz LZDXRLPJDKSLHO-FOIQADDNSA-N 1 1 368.437 1.996 20 30 FDEDMO N#CCCn1cc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(-c2ccncc2)n1 ZINC000597204324 552760143 /nfs/dbraw/zinc/76/01/43/552760143.db2.gz AIQURGFAKGKLOR-AEFFLSMTSA-N 1 1 364.453 1.959 20 30 FDEDMO CCn1c(-c2cc[nH]n2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000597310051 552773351 /nfs/dbraw/zinc/77/33/51/552773351.db2.gz JDTBTLJJPQKFRF-UHFFFAOYSA-N 1 1 362.441 1.882 20 30 FDEDMO C[C@@H](C#N)CN(C)c1nnc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1C[C@@H]1CCOC1 ZINC000597365663 552780153 /nfs/dbraw/zinc/78/01/53/552780153.db2.gz AORBHGHIMKMUNG-NXOAAHMSSA-N 1 1 374.489 1.446 20 30 FDEDMO N#Cc1ccc(N2CC[C@@H](C(=O)N3CC(C[NH+]4CCOCC4)C3)C2)c(F)c1 ZINC000597681986 552821485 /nfs/dbraw/zinc/82/14/85/552821485.db2.gz JOSFVKGLKGWKHZ-QGZVFWFLSA-N 1 1 372.444 1.314 20 30 FDEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000597997526 552854948 /nfs/dbraw/zinc/85/49/48/552854948.db2.gz MRANSUNZXNNHDL-CABCVRRESA-N 1 1 361.490 1.572 20 30 FDEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000597997526 552854950 /nfs/dbraw/zinc/85/49/50/552854950.db2.gz MRANSUNZXNNHDL-CABCVRRESA-N 1 1 361.490 1.572 20 30 FDEDMO N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000598453080 552897217 /nfs/dbraw/zinc/89/72/17/552897217.db2.gz ODJLVDNDWBUERH-WOJBJXKFSA-N 1 1 368.481 1.585 20 30 FDEDMO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000598593280 552912423 /nfs/dbraw/zinc/91/24/23/552912423.db2.gz SAVBKNWIJDPRSK-RTBURBONSA-N 1 1 370.497 1.710 20 30 FDEDMO C[C@@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCN1C[C@@H](O)CC(C)(C)C#N ZINC000598593445 552912511 /nfs/dbraw/zinc/91/25/11/552912511.db2.gz ATINAKMGPVOVEF-IKGGRYGDSA-N 1 1 350.507 1.594 20 30 FDEDMO C[C@@H]1CN(C[C@@H](O)CC(C)(C)C#N)CC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598593445 552912513 /nfs/dbraw/zinc/91/25/13/552912513.db2.gz ATINAKMGPVOVEF-IKGGRYGDSA-N 1 1 350.507 1.594 20 30 FDEDMO C[C@@H]1CN(C[C@@H](O)CC(C)(C)C#N)CC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598593445 552912515 /nfs/dbraw/zinc/91/25/15/552912515.db2.gz ATINAKMGPVOVEF-IKGGRYGDSA-N 1 1 350.507 1.594 20 30 FDEDMO COc1ccccc1NC(=O)CN1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598596911 552913232 /nfs/dbraw/zinc/91/32/32/552913232.db2.gz NGFQSWTWYRTYFQ-MRXNPFEDSA-N 1 1 374.485 1.552 20 30 FDEDMO Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CCCC[N@@H+](C)C3)CC2)c1C#N ZINC000599156689 552976039 /nfs/dbraw/zinc/97/60/39/552976039.db2.gz IKFZGGBOSDPZPT-INIZCTEOSA-N 1 1 373.505 1.164 20 30 FDEDMO C=CCn1c(-c2cn[nH]c2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000599214711 552988443 /nfs/dbraw/zinc/98/84/43/552988443.db2.gz BJIRJVCNFXWAIH-MRXNPFEDSA-N 1 1 356.478 1.070 20 30 FDEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000599318951 553025367 /nfs/dbraw/zinc/02/53/67/553025367.db2.gz WUGHMAJTJWZPEM-SFHVURJKSA-N 1 1 353.422 1.676 20 30 FDEDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599372366 553038970 /nfs/dbraw/zinc/03/89/70/553038970.db2.gz ZYALURHMTIRXGQ-HRCADAONSA-N 1 1 354.447 1.100 20 30 FDEDMO COC(=O)c1cc(C(C)(C)[NH2+]C[C@@H](O)COc2ccccc2C#N)no1 ZINC000599421956 553053767 /nfs/dbraw/zinc/05/37/67/553053767.db2.gz KGWISOQIFSDPSE-CYBMUJFWSA-N 1 1 359.382 1.597 20 30 FDEDMO N#CC1(C[C@H](O)C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)CCOCC1 ZINC000599432269 553055306 /nfs/dbraw/zinc/05/53/06/553055306.db2.gz OBLWRXQHPSZAEL-CMKODMSKSA-N 1 1 362.445 1.858 20 30 FDEDMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677728 553119772 /nfs/dbraw/zinc/11/97/72/553119772.db2.gz DDJGXAVBPCHJOP-PBHICJAKSA-N 1 1 354.454 1.223 20 30 FDEDMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677728 553119774 /nfs/dbraw/zinc/11/97/74/553119774.db2.gz DDJGXAVBPCHJOP-PBHICJAKSA-N 1 1 354.454 1.223 20 30 FDEDMO COc1cc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c(F)cc1C#N ZINC000599812630 553153753 /nfs/dbraw/zinc/15/37/53/553153753.db2.gz OJGKHDHDXWDBDT-UHFFFAOYSA-N 1 1 363.437 1.853 20 30 FDEDMO COc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c(F)cc1C#N ZINC000599981735 553192508 /nfs/dbraw/zinc/19/25/08/553192508.db2.gz KMZPDJPLMWPWLM-AWEZNQCLSA-N 1 1 374.416 1.778 20 30 FDEDMO C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000600783537 553314378 /nfs/dbraw/zinc/31/43/78/553314378.db2.gz LRJBPGXRIOTLCG-INIZCTEOSA-N 1 1 363.483 1.460 20 30 FDEDMO C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000600783537 553314380 /nfs/dbraw/zinc/31/43/80/553314380.db2.gz LRJBPGXRIOTLCG-INIZCTEOSA-N 1 1 363.483 1.460 20 30 FDEDMO Cc1cc(C)c(Cn2cc(CN3CCOCC3)cc(C#N)c2=O)c(C)[nH+]1 ZINC000601082498 553346100 /nfs/dbraw/zinc/34/61/00/553346100.db2.gz HVSCUYNGCKRJPC-UHFFFAOYSA-N 1 1 352.438 1.921 20 30 FDEDMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)C3(C#N)CC4(CC4)C3)CC2)CC1 ZINC000601134410 553351402 /nfs/dbraw/zinc/35/14/02/553351402.db2.gz BWBRHSJDJFGSGU-UHFFFAOYSA-N 1 1 358.486 1.473 20 30 FDEDMO Cc1cc(N2CC[NH+](CCc3cnccn3)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000601253677 553364493 /nfs/dbraw/zinc/36/44/93/553364493.db2.gz WZJZTRVFRJJNDG-UHFFFAOYSA-N 1 1 352.398 1.930 20 30 FDEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000601523824 553428439 /nfs/dbraw/zinc/42/84/39/553428439.db2.gz YQVVYHNEEASSRP-SJLPKXTDSA-N 1 1 364.515 1.885 20 30 FDEDMO N#CCCN1CCN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000601550203 553434586 /nfs/dbraw/zinc/43/45/86/553434586.db2.gz XYJZYBOTZWYZAH-UHFFFAOYSA-N 1 1 371.485 1.260 20 30 FDEDMO N#CCNC(=O)CNC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000601633495 553448808 /nfs/dbraw/zinc/44/88/08/553448808.db2.gz OCPAVIFYFALDPM-QGZVFWFLSA-N 1 1 357.458 1.370 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCN(CCC#N)CC1 ZINC000601633290 553448906 /nfs/dbraw/zinc/44/89/06/553448906.db2.gz PEGSXCNVJPDYMZ-UYAOXDASSA-N 1 1 369.513 1.995 20 30 FDEDMO N#Cc1c(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[nH]nc1N1CCOCC1 ZINC000601739228 553466702 /nfs/dbraw/zinc/46/67/02/553466702.db2.gz GLUOURKTQGGTQS-MRXNPFEDSA-N 1 1 372.473 1.854 20 30 FDEDMO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1CCCS1(=O)=O ZINC000602074103 553513905 /nfs/dbraw/zinc/51/39/05/553513905.db2.gz RZBJCPDOYVZLFJ-QGZVFWFLSA-N 1 1 363.483 1.416 20 30 FDEDMO N#CCCN1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000602211071 553540684 /nfs/dbraw/zinc/54/06/84/553540684.db2.gz XZEQXXYYKHCDTL-GOSISDBHSA-N 1 1 358.511 1.834 20 30 FDEDMO C[C@@H]1C[C@H](NC(=O)N2CCN(CCC#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000602274482 553554521 /nfs/dbraw/zinc/55/45/21/553554521.db2.gz RUWSOUGGXBWWLZ-MJGOQNOKSA-N 1 1 355.486 1.890 20 30 FDEDMO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](C[C@@H](C)CCC#N)CC1 ZINC000602430393 553579921 /nfs/dbraw/zinc/57/99/21/553579921.db2.gz LOMGTOWUVGHFSP-ZDUSSCGKSA-N 1 1 354.476 1.928 20 30 FDEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(S(N)(=O)=O)cc1 ZINC000602443663 553582898 /nfs/dbraw/zinc/58/28/98/553582898.db2.gz HIKGDRABNTXUPR-UHFFFAOYSA-N 1 1 359.451 1.854 20 30 FDEDMO CC(C)(CN1CCN(c2oc(C3CC3)nc2C#N)CC1)[NH+]1CCOCC1 ZINC000602446153 553583357 /nfs/dbraw/zinc/58/33/57/553583357.db2.gz WHPRJIAVMLBSKR-UHFFFAOYSA-N 1 1 359.474 1.656 20 30 FDEDMO N#Cc1cccc(C[NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)n1 ZINC000602617859 553612654 /nfs/dbraw/zinc/61/26/54/553612654.db2.gz OXUSGOHMQHZVNH-LJQANCHMSA-N 1 1 350.422 1.513 20 30 FDEDMO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602857795 553652706 /nfs/dbraw/zinc/65/27/06/553652706.db2.gz VCKNHQVVNGODEK-HLLBOEOZSA-N 1 1 361.442 1.131 20 30 FDEDMO Cn1cc(N2CC[C@H]([NH+]3CCC(Nc4ccccc4C#N)CC3)C2=O)cn1 ZINC000602896545 553664219 /nfs/dbraw/zinc/66/42/19/553664219.db2.gz ULRBOFMFUIXPRD-IBGZPJMESA-N 1 1 364.453 1.974 20 30 FDEDMO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)cn1 ZINC000602943830 553675956 /nfs/dbraw/zinc/67/59/56/553675956.db2.gz RQNKUZKLLGBLHH-QGZVFWFLSA-N 1 1 353.426 1.565 20 30 FDEDMO CN(C)S(=O)(=O)c1ccc(OCC[N@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000602974234 553684735 /nfs/dbraw/zinc/68/47/35/553684735.db2.gz LHKAXUHGBVWASF-YOEHRIQHSA-N 1 1 351.472 1.940 20 30 FDEDMO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000602974234 553684737 /nfs/dbraw/zinc/68/47/37/553684737.db2.gz LHKAXUHGBVWASF-YOEHRIQHSA-N 1 1 351.472 1.940 20 30 FDEDMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)Nc3ccnc(C#N)c3)CC2)CC1 ZINC000603131439 553713473 /nfs/dbraw/zinc/71/34/73/553713473.db2.gz OPMVDKAKOFYTAN-UHFFFAOYSA-N 1 1 370.457 1.361 20 30 FDEDMO COCCOCC[NH+]1CCN(c2c(C#N)cnn2-c2ccccc2)CC1 ZINC000603401933 553780408 /nfs/dbraw/zinc/78/04/08/553780408.db2.gz AKOYIYYGBDHGCO-UHFFFAOYSA-N 1 1 355.442 1.529 20 30 FDEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000604415828 553875627 /nfs/dbraw/zinc/87/56/27/553875627.db2.gz GALWUHGESWECOD-UHFFFAOYSA-N 1 1 350.463 1.159 20 30 FDEDMO C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC[N@H+](C)C(C)C)cc1 ZINC000606093520 554043202 /nfs/dbraw/zinc/04/32/02/554043202.db2.gz LFMYBEPAPZMXQD-UHFFFAOYSA-N 1 1 361.446 1.389 20 30 FDEDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000608789628 554320368 /nfs/dbraw/zinc/32/03/68/554320368.db2.gz PFLUVDQDFIKMQK-RTBURBONSA-N 1 1 373.497 1.977 20 30 FDEDMO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000609279088 554358525 /nfs/dbraw/zinc/35/85/25/554358525.db2.gz DITVJRZDMVLHRJ-ZDUSSCGKSA-N 1 1 357.863 1.601 20 30 FDEDMO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000609279088 554358528 /nfs/dbraw/zinc/35/85/28/554358528.db2.gz DITVJRZDMVLHRJ-ZDUSSCGKSA-N 1 1 357.863 1.601 20 30 FDEDMO COCC[N@@H+](C)CC[C@@H](NC(=O)N1CCO[C@@H](C#N)C1)c1ccccc1 ZINC000609282575 554358682 /nfs/dbraw/zinc/35/86/82/554358682.db2.gz YMNDJROYWYZYLJ-ZWKOTPCHSA-N 1 1 360.458 1.630 20 30 FDEDMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3ccc(C#N)cn3)cc2)CC1 ZINC000609343391 554370138 /nfs/dbraw/zinc/37/01/38/554370138.db2.gz QXNSRUQLRPRANV-UHFFFAOYSA-N 1 1 363.421 1.983 20 30 FDEDMO CCOc1ccc(C#N)cc1NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000609471669 554380240 /nfs/dbraw/zinc/38/02/40/554380240.db2.gz QDZULQUVUVPQMI-UHFFFAOYSA-N 1 1 373.457 1.631 20 30 FDEDMO CC(C)[C@@H](C#N)N1CC[NH+](C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000609486143 554382718 /nfs/dbraw/zinc/38/27/18/554382718.db2.gz DNOLOVDAJPXFJQ-NVXWUHKLSA-N 1 1 361.442 1.321 20 30 FDEDMO CC(C)[C@H](C#N)N1CC[NH+](CCCN2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000610133164 554465719 /nfs/dbraw/zinc/46/57/19/554465719.db2.gz HWYKVIUBIJYVLA-OYRHEFFESA-N 1 1 374.577 1.708 20 30 FDEDMO C[C@@H](NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C#N)c1 ZINC000610350678 554494702 /nfs/dbraw/zinc/49/47/02/554494702.db2.gz VRIABVFXZUDPCW-RHSMWYFYSA-N 1 1 357.458 1.506 20 30 FDEDMO Cn1cc(C#N)c(=NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)[nH]1 ZINC000610563877 554530047 /nfs/dbraw/zinc/53/00/47/554530047.db2.gz BDHYKJOQHSSJBW-UHFFFAOYSA-N 1 1 363.425 1.903 20 30 FDEDMO Cn1cc(C#N)c(=NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)[nH]1 ZINC000610563877 554530049 /nfs/dbraw/zinc/53/00/49/554530049.db2.gz BDHYKJOQHSSJBW-UHFFFAOYSA-N 1 1 363.425 1.903 20 30 FDEDMO C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1cccc(C#N)c1 ZINC000610846730 554570312 /nfs/dbraw/zinc/57/03/12/554570312.db2.gz LDMURYDTLRWPCQ-QAPCUYQASA-N 1 1 369.469 1.567 20 30 FDEDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@@H]1C ZINC000611101098 554604982 /nfs/dbraw/zinc/60/49/82/554604982.db2.gz YOMVHQUCMHRLTE-AWEZNQCLSA-N 1 1 358.442 1.837 20 30 FDEDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@@H]1C ZINC000611101098 554604984 /nfs/dbraw/zinc/60/49/84/554604984.db2.gz YOMVHQUCMHRLTE-AWEZNQCLSA-N 1 1 358.442 1.837 20 30 FDEDMO C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C(C)(C)CO ZINC000611430339 554632803 /nfs/dbraw/zinc/63/28/03/554632803.db2.gz WRXZIOZWLUWAEN-AWEZNQCLSA-N 1 1 350.488 1.160 20 30 FDEDMO COCC[N@H+]1CCC[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000611556093 554646019 /nfs/dbraw/zinc/64/60/19/554646019.db2.gz CFFXXARGBKSOSA-KSSFIOAISA-N 1 1 353.463 1.475 20 30 FDEDMO C[C@@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC(=O)N1 ZINC000611565937 554647751 /nfs/dbraw/zinc/64/77/51/554647751.db2.gz WMKJWKRLTJYSSL-CRAIPNDOSA-N 1 1 354.454 1.507 20 30 FDEDMO C[C@@H]1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC(=O)N1 ZINC000611565937 554647754 /nfs/dbraw/zinc/64/77/54/554647754.db2.gz WMKJWKRLTJYSSL-CRAIPNDOSA-N 1 1 354.454 1.507 20 30 FDEDMO C[C@H](c1ccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)cc1)[NH+]1CCOCC1 ZINC000615627799 555222120 /nfs/dbraw/zinc/22/21/20/555222120.db2.gz FCVURXSOCHGZKC-KUHUBIRLSA-N 1 1 374.416 1.482 20 30 FDEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000615788976 555240453 /nfs/dbraw/zinc/24/04/53/555240453.db2.gz CZONYORBJQWCTI-AWEZNQCLSA-N 1 1 354.454 1.962 20 30 FDEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000615788976 555240455 /nfs/dbraw/zinc/24/04/55/555240455.db2.gz CZONYORBJQWCTI-AWEZNQCLSA-N 1 1 354.454 1.962 20 30 FDEDMO C=CCOCCCNC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C ZINC000618523315 555645740 /nfs/dbraw/zinc/64/57/40/555645740.db2.gz DEPFVRBHUAOPLP-UHFFFAOYSA-N 1 1 369.469 1.886 20 30 FDEDMO N#Cc1cnn(-c2ccc(C(=O)N3CC[C@H]([NH+]4CCC4)[C@@H](F)C3)cc2)c1N ZINC000619251969 555744984 /nfs/dbraw/zinc/74/49/84/555744984.db2.gz CZILKGUIWOXARR-IRXDYDNUSA-N 1 1 368.416 1.584 20 30 FDEDMO Cc1onc(CC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1C#N ZINC000619421236 555774335 /nfs/dbraw/zinc/77/43/35/555774335.db2.gz VDXSASCRYPCNKR-CALCHBBNSA-N 1 1 350.422 1.988 20 30 FDEDMO C[C@H]1C[NH+](CCCCNS(=O)(=O)c2cccc(CC#N)c2)C[C@H](C)O1 ZINC000619490680 555787427 /nfs/dbraw/zinc/78/74/27/555787427.db2.gz APWZIRFHVWVQKG-HOTGVXAUSA-N 1 1 365.499 1.920 20 30 FDEDMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@H](C)n3cnc(C#N)n3)cc2)CC1 ZINC000619610751 555808690 /nfs/dbraw/zinc/80/86/90/555808690.db2.gz FMONQBOLFLMJFT-HNNXBMFYSA-N 1 1 367.457 1.487 20 30 FDEDMO C=C(C)Cn1c(-c2cn[nH]c2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000624991009 556686876 /nfs/dbraw/zinc/68/68/76/556686876.db2.gz IAZPSUBJPWLSBU-GASCZTMLSA-N 1 1 359.478 1.790 20 30 FDEDMO C=C(C)Cn1c(-c2cn[nH]c2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000624991009 556686878 /nfs/dbraw/zinc/68/68/78/556686878.db2.gz IAZPSUBJPWLSBU-GASCZTMLSA-N 1 1 359.478 1.790 20 30 FDEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000625220178 556746137 /nfs/dbraw/zinc/74/61/37/556746137.db2.gz HNKQJLTXFWLCKY-IAGOWNOFSA-N 1 1 356.447 1.492 20 30 FDEDMO C=CCc1cc(C[N@@H+]2CCC[C@@H](CS(=O)(=O)NC)C2)cc(OC)c1O ZINC000628495842 557637909 /nfs/dbraw/zinc/63/79/09/557637909.db2.gz BLEMCNMEQQGSAO-CQSZACIVSA-N 1 1 368.499 1.891 20 30 FDEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000628669199 557668822 /nfs/dbraw/zinc/66/88/22/557668822.db2.gz DVMWWZPFNXAXAV-MJGOQNOKSA-N 1 1 359.470 1.857 20 30 FDEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000628669199 557668825 /nfs/dbraw/zinc/66/88/25/557668825.db2.gz DVMWWZPFNXAXAV-MJGOQNOKSA-N 1 1 359.470 1.857 20 30 FDEDMO C=CCCC(C)(C)CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000633964225 558396400 /nfs/dbraw/zinc/39/64/00/558396400.db2.gz GCYYHBTZYDWDQS-KRWDZBQOSA-N 1 1 365.518 1.808 20 30 FDEDMO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2ncnn2-c2ccccc2)cc1 ZINC000521427673 568018413 /nfs/dbraw/zinc/01/84/13/568018413.db2.gz NPOTWUKTAKVJOH-GOSISDBHSA-N 1 1 363.421 1.863 20 30 FDEDMO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000408290231 568330630 /nfs/dbraw/zinc/33/06/30/568330630.db2.gz ICWIZULOSAWWSC-IYBDPMFKSA-N 1 1 372.535 1.288 20 30 FDEDMO CN(C)c1nc(N2C[C@@H](F)C[C@H]2CN(C)c2ccc(C#N)cn2)cc[nH+]1 ZINC000328632247 571325303 /nfs/dbraw/zinc/32/53/03/571325303.db2.gz LFZKJOKNEGHIEU-GJZGRUSLSA-N 1 1 355.421 1.862 20 30 FDEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)COC1CCOCC1 ZINC000819745433 606704727 /nfs/dbraw/zinc/70/47/27/606704727.db2.gz CNSXAPKOVARNQA-QGZVFWFLSA-N 1 1 373.457 1.411 20 30 FDEDMO C=CCC[C@H](O)C[N@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819734842 606744740 /nfs/dbraw/zinc/74/47/40/606744740.db2.gz VKTAHFWAVMHFOS-SFHVURJKSA-N 1 1 356.474 1.702 20 30 FDEDMO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)nn1 ZINC000826385654 607988672 /nfs/dbraw/zinc/98/86/72/607988672.db2.gz VTLXASSEWBVDFS-UHFFFAOYSA-N 1 1 361.413 1.241 20 30 FDEDMO C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ccc(C#N)cc1F ZINC000825933786 608035515 /nfs/dbraw/zinc/03/55/15/608035515.db2.gz GFBHFJNEPATLKS-UHFFFAOYSA-N 1 1 355.381 1.247 20 30 FDEDMO N#CCSCc1nc(-c2ccccc2C[N@H+]2CCC[C@@H]2C(N)=O)no1 ZINC000273900689 674578596 /nfs/dbraw/zinc/57/85/96/674578596.db2.gz PGYINTVDFURQTD-CQSZACIVSA-N 1 1 357.439 1.943 20 30 FDEDMO N#CCSCc1nc(-c2ccccc2C[N@@H+]2CCC[C@@H]2C(N)=O)no1 ZINC000273900689 674578598 /nfs/dbraw/zinc/57/85/98/674578598.db2.gz PGYINTVDFURQTD-CQSZACIVSA-N 1 1 357.439 1.943 20 30 FDEDMO C=C(Br)CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000068933730 671374254 /nfs/dbraw/zinc/37/42/54/671374254.db2.gz LNFGYXZQOODFEM-UHFFFAOYSA-N 1 1 352.276 1.829 20 30 FDEDMO C#CCSCCNC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000153826191 671909561 /nfs/dbraw/zinc/90/95/61/671909561.db2.gz YLSHDXVHXDVZSU-UHFFFAOYSA-N 1 1 364.490 1.613 20 30 FDEDMO CC[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCN1CC(F)F ZINC000245741784 672461416 /nfs/dbraw/zinc/46/14/16/672461416.db2.gz LSAJNEHYIPTYFQ-HZPDHXFCSA-N 1 1 353.413 1.959 20 30 FDEDMO CC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCN1CC(F)F ZINC000245741784 672461418 /nfs/dbraw/zinc/46/14/18/672461418.db2.gz LSAJNEHYIPTYFQ-HZPDHXFCSA-N 1 1 353.413 1.959 20 30 FDEDMO C[C@@H]1CSCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245862760 672467304 /nfs/dbraw/zinc/46/73/04/672467304.db2.gz PJFUWFLUFGAGEN-HUUCEWRRSA-N 1 1 364.540 1.894 20 30 FDEDMO C[C@@H]1CSCC[N@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245862760 672467308 /nfs/dbraw/zinc/46/73/08/672467308.db2.gz PJFUWFLUFGAGEN-HUUCEWRRSA-N 1 1 364.540 1.894 20 30 FDEDMO CCN1CCN([C@H](C)CNC(=[NH+]C)N2CCS[C@@H](C(C)C)C2)CC1 ZINC000261822325 672678255 /nfs/dbraw/zinc/67/82/55/672678255.db2.gz URCNZLPFERBGOE-IAGOWNOFSA-N 1 1 355.596 1.661 20 30 FDEDMO CN(C)CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000288773128 676052839 /nfs/dbraw/zinc/05/28/39/676052839.db2.gz JZPWLXOGZRTOBQ-UHFFFAOYSA-N 1 1 365.865 1.150 20 30 FDEDMO CN(CCCNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)CC[NH+](C)C ZINC000288773128 676052841 /nfs/dbraw/zinc/05/28/41/676052841.db2.gz JZPWLXOGZRTOBQ-UHFFFAOYSA-N 1 1 365.865 1.150 20 30 FDEDMO CN(C)C(=O)C[NH+]=C(NCc1cccs1)N1CC[C@H](N2CC=CC2)C1 ZINC000262247143 672754050 /nfs/dbraw/zinc/75/40/50/672754050.db2.gz BFAKYSUHZMMYSD-HNNXBMFYSA-N 1 1 361.515 1.228 20 30 FDEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2sc(C(=O)OC)cc2OC)CC1 ZINC000267200851 673269045 /nfs/dbraw/zinc/26/90/45/673269045.db2.gz OQWOIYUTNDCRQT-UHFFFAOYSA-N 1 1 374.484 1.472 20 30 FDEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1 ZINC000289392566 676128462 /nfs/dbraw/zinc/12/84/62/676128462.db2.gz DQYOAIUNFQZWAX-HIFRSBDPSA-N 1 1 355.360 1.982 20 30 FDEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000289478438 676142201 /nfs/dbraw/zinc/14/22/01/676142201.db2.gz NVMMXHXLEIESOZ-KGLIPLIRSA-N 1 1 361.408 1.966 20 30 FDEDMO CC[N@@H+](CCNC(=O)N1CCN(c2snc(C)c2C#N)CC1)C1CC1 ZINC000290580522 676215148 /nfs/dbraw/zinc/21/51/48/676215148.db2.gz AKINOZHJSNHSHW-UHFFFAOYSA-N 1 1 362.503 1.639 20 30 FDEDMO CN(C[C@@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278957338 675223966 /nfs/dbraw/zinc/22/39/66/675223966.db2.gz ZYPGBDXGJCPMAA-LLVKDONJSA-N 1 1 372.288 1.893 20 30 FDEDMO C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282319225 675622085 /nfs/dbraw/zinc/62/20/85/675622085.db2.gz OLXVQNXUAKXVIT-SOLBZPMBSA-N 1 1 364.515 1.965 20 30 FDEDMO C[C@H](C#N)CN(C)S(=O)(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000282359056 675625906 /nfs/dbraw/zinc/62/59/06/675625906.db2.gz BCKHBNRCUGOXMM-OAHLLOKOSA-N 1 1 350.488 1.361 20 30 FDEDMO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000282504885 675631267 /nfs/dbraw/zinc/63/12/67/675631267.db2.gz ZFHBRYLRTGYLAX-CRAIPNDOSA-N 1 1 364.515 1.823 20 30 FDEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283001687 675647013 /nfs/dbraw/zinc/64/70/13/675647013.db2.gz NZHXGIQUWDYCEI-FUHWJXTLSA-N 1 1 364.515 1.919 20 30 FDEDMO C[C@H](CC#N)N(C)S(=O)(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283001684 675647046 /nfs/dbraw/zinc/64/70/46/675647046.db2.gz NZHXGIQUWDYCEI-AEFFLSMTSA-N 1 1 364.515 1.919 20 30 FDEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000284002161 675665902 /nfs/dbraw/zinc/66/59/02/675665902.db2.gz PKRHJWMSVAGNNU-WBVHZDCISA-N 1 1 350.488 1.324 20 30 FDEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000284002161 675665904 /nfs/dbraw/zinc/66/59/04/675665904.db2.gz PKRHJWMSVAGNNU-WBVHZDCISA-N 1 1 350.488 1.324 20 30 FDEDMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NCC#CCO)c2c1C ZINC000285543798 675832652 /nfs/dbraw/zinc/83/26/52/675832652.db2.gz IAIYHUDEKAUFFV-UHFFFAOYSA-N 1 1 362.455 1.646 20 30 FDEDMO C=CCNC(=O)CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000285895182 675849821 /nfs/dbraw/zinc/84/98/21/675849821.db2.gz UNKOEYUYMCYQBG-OAHLLOKOSA-N 1 1 351.397 1.562 20 30 FDEDMO C#CC[N@@H+](C)CCCNC(=O)NCCCCn1cc(Br)cn1 ZINC000296799771 676420899 /nfs/dbraw/zinc/42/08/99/676420899.db2.gz IOPLASSDRGGLRL-UHFFFAOYSA-N 1 1 370.295 1.680 20 30 FDEDMO CC(C)N1C[C@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC1=O ZINC000328650538 676600741 /nfs/dbraw/zinc/60/07/41/676600741.db2.gz BBMGPVHIAKKAAK-OAHLLOKOSA-N 1 1 354.495 1.200 20 30 FDEDMO CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)C1 ZINC000328966139 676614139 /nfs/dbraw/zinc/61/41/39/676614139.db2.gz SMMUBRBIUXMCPC-XHSDSOJGSA-N 1 1 351.495 1.713 20 30 FDEDMO C[C@H](Cn1cncn1)NC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329109974 676620394 /nfs/dbraw/zinc/62/03/94/676620394.db2.gz JDYXEFALYZWOEU-LVQVYYBASA-N 1 1 350.467 1.154 20 30 FDEDMO C[C@H](Cn1cncn1)NC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329109974 676620399 /nfs/dbraw/zinc/62/03/99/676620399.db2.gz JDYXEFALYZWOEU-LVQVYYBASA-N 1 1 350.467 1.154 20 30 FDEDMO Cc1nc(CN2CCN(C(=O)NC[C@H](C)[N@@H+](C)C3CC3)CC2)cs1 ZINC000329111729 676620554 /nfs/dbraw/zinc/62/05/54/676620554.db2.gz KEIYOFVWRDRNSQ-ZDUSSCGKSA-N 1 1 351.520 1.966 20 30 FDEDMO CS(=O)(=O)C1(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CCCC1 ZINC000329128099 676621711 /nfs/dbraw/zinc/62/17/11/676621711.db2.gz ZICWFTSIJMKGMZ-UHFFFAOYSA-N 1 1 358.504 1.945 20 30 FDEDMO COc1cnc(NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000329235099 676627391 /nfs/dbraw/zinc/62/73/91/676627391.db2.gz IHAIGHWAZHDQMY-UHFFFAOYSA-N 1 1 367.475 1.183 20 30 FDEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000329239735 676627939 /nfs/dbraw/zinc/62/79/39/676627939.db2.gz QOECLZGTZUEEAE-FZKCQIBNSA-N 1 1 359.536 1.681 20 30 FDEDMO CC1CCC2(CC1)NC(=O)N(CC(=O)NCC[NH+]1CCSCC1)C2=O ZINC000329242821 676627996 /nfs/dbraw/zinc/62/79/96/676627996.db2.gz AKOSAXPWPJPYFN-UHFFFAOYSA-N 1 1 368.503 1.697 20 30 FDEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000329243094 676628073 /nfs/dbraw/zinc/62/80/73/676628073.db2.gz SRVFJZAWKAWUJF-LBPRGKRZSA-N 1 1 350.385 1.481 20 30 FDEDMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329310653 676632593 /nfs/dbraw/zinc/63/25/93/676632593.db2.gz FWNLVBKCADIIIZ-JKSUJKDBSA-N 1 1 351.495 1.464 20 30 FDEDMO C[C@H](NC(=O)NC[C@@]1(N2CCOCC2)CCSC1)C1=CC[N@@H+](C)CC1 ZINC000329314040 676632796 /nfs/dbraw/zinc/63/27/96/676632796.db2.gz GWIOOYSOXVSLHZ-YJBOKZPZSA-N 1 1 368.547 1.348 20 30 FDEDMO C[C@H](CNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C[NH+]1CCOCC1 ZINC000329455569 676639447 /nfs/dbraw/zinc/63/94/47/676639447.db2.gz PTMHWPRZTRYLMQ-RBSFLKMASA-N 1 1 351.447 1.086 20 30 FDEDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000329695560 676649892 /nfs/dbraw/zinc/64/98/92/676649892.db2.gz DCBGOYIIKMSHNZ-IIAWOOMASA-N 1 1 372.535 1.129 20 30 FDEDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 ZINC000329749649 676652689 /nfs/dbraw/zinc/65/26/89/676652689.db2.gz UKIVXJVANDVHPX-IVSAIRAKSA-N 1 1 352.479 1.841 20 30 FDEDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 ZINC000329749648 676652744 /nfs/dbraw/zinc/65/27/44/676652744.db2.gz UKIVXJVANDVHPX-HWMZRRJGSA-N 1 1 352.479 1.841 20 30 FDEDMO CC[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCN1C[C@@H](C)O ZINC000329759836 676653297 /nfs/dbraw/zinc/65/32/97/676653297.db2.gz PJXZMCLBWPNTEN-CUHOHZIGSA-N 1 1 352.523 1.693 20 30 FDEDMO CC[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCN1C[C@@H](C)O ZINC000329759836 676653299 /nfs/dbraw/zinc/65/32/99/676653299.db2.gz PJXZMCLBWPNTEN-CUHOHZIGSA-N 1 1 352.523 1.693 20 30 FDEDMO CCC1(CC)CN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCS1(=O)=O ZINC000329775896 676655170 /nfs/dbraw/zinc/65/51/70/676655170.db2.gz NMYGWPBBAGKUNY-CQSZACIVSA-N 1 1 357.520 1.674 20 30 FDEDMO COCc1nc2n(n1)C[C@@H]([NH+]=C([O-])N1CCC[N@H+](C(C)C)CC1)CC2 ZINC000329807908 676657884 /nfs/dbraw/zinc/65/78/84/676657884.db2.gz OYSILONPXAAGBX-AWEZNQCLSA-N 1 1 350.467 1.069 20 30 FDEDMO COCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[N@@H+](C(C)C)CC1)CC2 ZINC000329807908 676657886 /nfs/dbraw/zinc/65/78/86/676657886.db2.gz OYSILONPXAAGBX-AWEZNQCLSA-N 1 1 350.467 1.069 20 30 FDEDMO COCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[N@H+](C(C)C)CC1)CC2 ZINC000329807908 676657888 /nfs/dbraw/zinc/65/78/88/676657888.db2.gz OYSILONPXAAGBX-AWEZNQCLSA-N 1 1 350.467 1.069 20 30 FDEDMO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000329812022 676658201 /nfs/dbraw/zinc/65/82/01/676658201.db2.gz CDBJEGQJTGVONS-BFHYXJOUSA-N 1 1 350.467 1.068 20 30 FDEDMO COCc1nc2n(n1)C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000329812022 676658203 /nfs/dbraw/zinc/65/82/03/676658203.db2.gz CDBJEGQJTGVONS-BFHYXJOUSA-N 1 1 350.467 1.068 20 30 FDEDMO COCc1nc2n(n1)C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000329812022 676658205 /nfs/dbraw/zinc/65/82/05/676658205.db2.gz CDBJEGQJTGVONS-BFHYXJOUSA-N 1 1 350.467 1.068 20 30 FDEDMO O=S1(=O)CCN(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)[C@@H]2CCCC[C@H]21 ZINC000329933262 676664383 /nfs/dbraw/zinc/66/43/83/676664383.db2.gz BKLNCTBJNDPXHT-RRFJBIMHSA-N 1 1 366.487 1.401 20 30 FDEDMO 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FDEDMO C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC)c1 ZINC000521926017 694450364 /nfs/dbraw/zinc/45/03/64/694450364.db2.gz RQGALQHNUFVULD-MRXNPFEDSA-N 1 1 365.499 1.755 20 30 FDEDMO C=CCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+](CC)C2CC2)c1 ZINC000523611030 694536152 /nfs/dbraw/zinc/53/61/52/694536152.db2.gz WIOOGYACXRZOJN-UHFFFAOYSA-N 1 1 351.472 1.365 20 30 FDEDMO N#CCc1cnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(Cl)c1 ZINC001164748829 720793723 /nfs/dbraw/zinc/79/37/23/720793723.db2.gz RNGLPZVHQAMIBP-LSDHHAIUSA-N 1 1 370.844 1.933 20 30 FDEDMO Cc1cnc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c(C=NO)c1 ZINC001164761222 721176333 /nfs/dbraw/zinc/17/63/33/721176333.db2.gz AEHGROXOXVLXJP-WMZOPIPTSA-N 1 1 354.458 1.890 20 30 FDEDMO Cc1nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)ccc1C#N ZINC001164874306 721279436 /nfs/dbraw/zinc/27/94/36/721279436.db2.gz PQUCNVUHENYRKW-UHFFFAOYSA-N 1 1 371.485 1.269 20 30 FDEDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc(F)c4C#N)C3)O2)CC1 ZINC001164891921 721419914 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COc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1C#N ZINC001024656206 785634825 /nfs/dbraw/zinc/63/48/25/785634825.db2.gz ITMRUGMBIRMTON-ZACQAIPSSA-N 1 1 370.453 1.159 20 30 FDEDMO CN(Cc1cnn(C)c1)C(=O)CO[NH+]=C(N)C12CC3CC(CC(C3)C1)C2 ZINC000177547155 785755571 /nfs/dbraw/zinc/75/55/71/785755571.db2.gz IHJMEJZHTUEZOR-UHFFFAOYSA-N 1 1 359.474 1.884 20 30 FDEDMO COc1cccc(CN(C)C(=O)CON=C(N)C[N@H+]2CCCC[C@H]2C)c1 ZINC000177592276 785855294 /nfs/dbraw/zinc/85/52/94/785855294.db2.gz HEZKGHPNNRVWGT-OAHLLOKOSA-N 1 1 362.474 1.817 20 30 FDEDMO Cc1[nH+]ccn1-c1ccc(CNc2cc(S(N)(=O)=O)ccc2C#N)cn1 ZINC000376104821 785892400 /nfs/dbraw/zinc/89/24/00/785892400.db2.gz USRMQSNRPDIOHE-UHFFFAOYSA-N 1 1 368.422 1.707 20 30 FDEDMO C=CCn1cc(C(=O)NCc2ccccc2C[NH+]2CCN(CC)CC2)nn1 ZINC000648242591 786684576 /nfs/dbraw/zinc/68/45/76/786684576.db2.gz LBDFNXRWRLLSGC-UHFFFAOYSA-N 1 1 368.485 1.532 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3oc(CC)nc3C)C[C@H]21 ZINC000978729684 805718601 /nfs/dbraw/zinc/71/86/01/805718601.db2.gz KGTGSPSIPDBCLK-MTSZKFMLSA-N 1 1 359.470 1.931 20 30 FDEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC(=O)NCC#N)cc1F ZINC000376364827 787463914 /nfs/dbraw/zinc/46/39/14/787463914.db2.gz LJWPFVCUJNYBOK-LLVKDONJSA-N 1 1 358.377 1.320 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001025109296 787941752 /nfs/dbraw/zinc/94/17/52/787941752.db2.gz WIQBSEDMYLTTQQ-BQFCYCMXSA-N 1 1 361.490 1.955 20 30 FDEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000978871365 805835506 /nfs/dbraw/zinc/83/55/06/805835506.db2.gz NQCKATFMUCKJMM-LFVTVUPYSA-N 1 1 354.454 1.028 20 30 FDEDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000376493528 788047761 /nfs/dbraw/zinc/04/77/61/788047761.db2.gz AGJYKSKTMCOMEK-DFQSSKMNSA-N 1 1 357.454 1.773 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000973331008 788594175 /nfs/dbraw/zinc/59/41/75/788594175.db2.gz YHWPOKYDWNWQRZ-VQHPVUNQSA-N 1 1 363.502 1.463 20 30 FDEDMO C=CCOc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC000973330574 788650510 /nfs/dbraw/zinc/65/05/10/788650510.db2.gz PCAWZGQYVFYRLO-KLICCBINSA-N 1 1 371.481 1.969 20 30 FDEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)Cn3c(C)c(C)sc3=O)[C@H]2C1 ZINC001083283438 791200183 /nfs/dbraw/zinc/20/01/83/791200183.db2.gz BERXWINZZUDOIM-LSDHHAIUSA-N 1 1 351.472 1.014 20 30 FDEDMO N#Cc1cccc(CCNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000377197186 791233120 /nfs/dbraw/zinc/23/31/20/791233120.db2.gz LCQPHQRZKLPUHI-LJQANCHMSA-N 1 1 356.470 1.997 20 30 FDEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365552788 791502891 /nfs/dbraw/zinc/50/28/91/791502891.db2.gz ZOLNHPLDMANHSA-BQFCYCMXSA-N 1 1 352.438 1.748 20 30 FDEDMO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H](N4CCNC4=O)C3)C2=O)cc1 ZINC000377360016 791625696 /nfs/dbraw/zinc/62/56/96/791625696.db2.gz VZOXREQPIWNIDO-SJORKVTESA-N 1 1 353.426 1.153 20 30 FDEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H](N4CCNC4=O)C3)C2=O)cc1 ZINC000377360016 791625704 /nfs/dbraw/zinc/62/57/04/791625704.db2.gz VZOXREQPIWNIDO-SJORKVTESA-N 1 1 353.426 1.153 20 30 FDEDMO C#CC1(O)CN(C(=O)NCC2CC[NH+](Cc3csc(CC)n3)CC2)C1 ZINC000892945951 791903170 /nfs/dbraw/zinc/90/31/70/791903170.db2.gz OBRBKKYSIQWIKU-UHFFFAOYSA-N 1 1 362.499 1.307 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@H]21 ZINC001025791266 792043669 /nfs/dbraw/zinc/04/36/69/792043669.db2.gz HJUDZAIVDYTACL-LGFJLYTPSA-N 1 1 356.413 1.438 20 30 FDEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377638692 792389350 /nfs/dbraw/zinc/38/93/50/792389350.db2.gz DQHPZEDEJXJCPQ-APWZRJJASA-N 1 1 370.497 1.952 20 30 FDEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377638692 792389364 /nfs/dbraw/zinc/38/93/64/792389364.db2.gz DQHPZEDEJXJCPQ-APWZRJJASA-N 1 1 370.497 1.952 20 30 FDEDMO C=C(C)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)C(=O)OCC ZINC000893548273 806161546 /nfs/dbraw/zinc/16/15/46/806161546.db2.gz PWYGOEPLXQCBKC-ULQDDVLXSA-N 1 1 362.474 1.470 20 30 FDEDMO N#Cc1cccnc1N1CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000377859562 792929823 /nfs/dbraw/zinc/92/98/23/792929823.db2.gz DNOXLBCRNIQKTB-LJQANCHMSA-N 1 1 361.449 1.876 20 30 FDEDMO N#Cc1cccnc1N1CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000377859562 792929834 /nfs/dbraw/zinc/92/98/34/792929834.db2.gz DNOXLBCRNIQKTB-LJQANCHMSA-N 1 1 361.449 1.876 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3COc4ccccc4O3)C[C@H]21 ZINC001026057065 793035920 /nfs/dbraw/zinc/03/59/20/793035920.db2.gz XEJSIAOMFHWZMX-PEUATVKMSA-N 1 1 370.449 1.464 20 30 FDEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C)oc2C)C[C@H]1C(F)(F)F ZINC001112043562 793208878 /nfs/dbraw/zinc/20/88/78/793208878.db2.gz CSIPRMJLUPSIGP-ZIAGYGMSSA-N 1 1 371.359 1.238 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)CC)C1 ZINC001026091498 793222512 /nfs/dbraw/zinc/22/25/12/793222512.db2.gz GQQHGUABKUFGIN-OTWHNJEPSA-N 1 1 371.456 1.744 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)CC)C1 ZINC001026091498 793222519 /nfs/dbraw/zinc/22/25/19/793222519.db2.gz GQQHGUABKUFGIN-OTWHNJEPSA-N 1 1 371.456 1.744 20 30 FDEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CSC(C)C)C[C@H]1C(F)(F)F ZINC001112051562 793772517 /nfs/dbraw/zinc/77/25/17/793772517.db2.gz ADJRSIHIKIAGSE-VXGBXAGGSA-N 1 1 367.437 1.409 20 30 FDEDMO C[C@@H]1CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@@H](C)C[N@@H+]1CCO ZINC000416318605 794027284 /nfs/dbraw/zinc/02/72/84/794027284.db2.gz XVGPRHFBKDNFJJ-CABCVRRESA-N 1 1 353.426 1.271 20 30 FDEDMO C[C@@H]1CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@@H](C)C[N@H+]1CCO ZINC000416318605 794027288 /nfs/dbraw/zinc/02/72/88/794027288.db2.gz XVGPRHFBKDNFJJ-CABCVRRESA-N 1 1 353.426 1.271 20 30 FDEDMO 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C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N[C@H](C)CC)C1 ZINC001112069740 794745140 /nfs/dbraw/zinc/74/51/40/794745140.db2.gz LOEWBIVKQWVDMM-JHJVBQTASA-N 1 1 365.396 1.083 20 30 FDEDMO C=CCn1c(-c2ncccn2)nnc1N1CC[N@@H+](CCOC)[C@@H](CCC)C1 ZINC000417457016 795224244 /nfs/dbraw/zinc/22/42/44/795224244.db2.gz HIXPDSSRTXOHRY-INIZCTEOSA-N 1 1 371.489 1.858 20 30 FDEDMO C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(CC)no2)C1 ZINC001105090240 795234424 /nfs/dbraw/zinc/23/44/24/795234424.db2.gz NRBPCSXKRVQCEZ-HUUCEWRRSA-N 1 1 350.463 1.799 20 30 FDEDMO COc1cc(C#N)ccc1NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000930866982 795271678 /nfs/dbraw/zinc/27/16/78/795271678.db2.gz NJMBVCUTLURJAL-MRXNPFEDSA-N 1 1 357.458 1.811 20 30 FDEDMO CCCCCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001105235432 795518483 /nfs/dbraw/zinc/51/84/83/795518483.db2.gz FKUZYEXFLFYTKX-HZPDHXFCSA-N 1 1 364.450 1.387 20 30 FDEDMO C=CCC1(C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCC1 ZINC001058732906 796114987 /nfs/dbraw/zinc/11/49/87/796114987.db2.gz RCWUWCOTMAHPQR-DLBZAZTESA-N 1 1 365.518 1.400 20 30 FDEDMO C=C(C)Cn1c(-c2ncon2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC000909334484 796234506 /nfs/dbraw/zinc/23/45/06/796234506.db2.gz UJTRFSGLVQSHIT-UHFFFAOYSA-N 1 1 361.450 1.451 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000979855681 806563999 /nfs/dbraw/zinc/56/39/99/806563999.db2.gz GKHZSSPWHZJATL-RXYDEIHYSA-N 1 1 363.502 1.463 20 30 FDEDMO C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001087428025 806677351 /nfs/dbraw/zinc/67/73/51/806677351.db2.gz ISZGGMPNKVQAPO-VBSBHUPXSA-N 1 1 367.493 1.899 20 30 FDEDMO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@]34C[C@H]3COC4)C(C)(C)C2)cc1C#N ZINC000974616772 799918310 /nfs/dbraw/zinc/91/83/10/799918310.db2.gz IWSIKOIRMXBEAM-CDXJDZJCSA-N 1 1 369.465 1.930 20 30 FDEDMO COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@]34C[C@H]3COC4)C(C)(C)C2)cc1C#N ZINC000974616772 799918313 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UDHJRPAQKYXYLB-HOTGVXAUSA-N 1 1 359.474 1.487 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCO2)n1 ZINC001130181941 938729089 /nfs/dbraw/zinc/72/90/89/938729089.db2.gz YTLRHPYNEIIVPO-KKUMJFAQSA-N 1 1 363.462 1.028 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CCCO2)n[nH]1 ZINC001130181941 938729092 /nfs/dbraw/zinc/72/90/92/938729092.db2.gz YTLRHPYNEIIVPO-KKUMJFAQSA-N 1 1 363.462 1.028 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)/C=C(/C)C2CC2)n1 ZINC001130186796 938732643 /nfs/dbraw/zinc/73/26/43/938732643.db2.gz LUGTUBQVPINCDZ-YQPRGPPOSA-N 1 1 359.474 1.815 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=C(C)C2CC2)n[nH]1 ZINC001130186796 938732644 /nfs/dbraw/zinc/73/26/44/938732644.db2.gz LUGTUBQVPINCDZ-YQPRGPPOSA-N 1 1 359.474 1.815 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCCOC)n1 ZINC001130186829 938732885 /nfs/dbraw/zinc/73/28/85/938732885.db2.gz NOWGSMLYLDRIQQ-GJZGRUSLSA-N 1 1 365.478 1.276 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCCOC)n[nH]1 ZINC001130186829 938732887 /nfs/dbraw/zinc/73/28/87/938732887.db2.gz NOWGSMLYLDRIQQ-GJZGRUSLSA-N 1 1 365.478 1.276 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)CSC)n1 ZINC001130193040 938737410 /nfs/dbraw/zinc/73/74/10/938737410.db2.gz GGFJJSJDJKYAKM-RDBSUJKOSA-N 1 1 367.519 1.458 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)CSC)n[nH]1 ZINC001130193040 938737412 /nfs/dbraw/zinc/73/74/12/938737412.db2.gz GGFJJSJDJKYAKM-RDBSUJKOSA-N 1 1 367.519 1.458 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C2CC2)n1 ZINC001130195826 938738827 /nfs/dbraw/zinc/73/88/27/938738827.db2.gz DYTKMXVXQDWOPL-KBMXLJTQSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)C2CC2)n[nH]1 ZINC001130195826 938738829 /nfs/dbraw/zinc/73/88/29/938738829.db2.gz DYTKMXVXQDWOPL-KBMXLJTQSA-N 1 1 361.490 1.895 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCc2ccco2)[nH]1 ZINC001130183117 938742440 /nfs/dbraw/zinc/74/24/40/938742440.db2.gz QROXEWXBRJXDDH-HOTGVXAUSA-N 1 1 371.441 1.132 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccn2C)n1 ZINC001130185043 938744412 /nfs/dbraw/zinc/74/44/12/938744412.db2.gz UDDLLPHVIHFLPA-ZFWWWQNUSA-N 1 1 358.446 1.111 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccn2C)n[nH]1 ZINC001130185043 938744413 /nfs/dbraw/zinc/74/44/13/938744413.db2.gz UDDLLPHVIHFLPA-ZFWWWQNUSA-N 1 1 358.446 1.111 20 30 FDEDMO C=CCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC=C(C)C)n[nH]1 ZINC001130203324 938745246 /nfs/dbraw/zinc/74/52/46/938745246.db2.gz YNUUYHUCBPPGRQ-GJZGRUSLSA-N 1 1 363.462 1.052 20 30 FDEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC=C(C)C)n1 ZINC001130203324 938745249 /nfs/dbraw/zinc/74/52/49/938745249.db2.gz YNUUYHUCBPPGRQ-GJZGRUSLSA-N 1 1 363.462 1.052 20 30 FDEDMO CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001130204657 938745518 /nfs/dbraw/zinc/74/55/18/938745518.db2.gz BWIXVNQVJDCQHP-GJZGRUSLSA-N 1 1 371.445 1.053 20 30 FDEDMO CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c[nH]c(C#N)c2)n[nH]1 ZINC001130204657 938745519 /nfs/dbraw/zinc/74/55/19/938745519.db2.gz BWIXVNQVJDCQHP-GJZGRUSLSA-N 1 1 371.445 1.053 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ccccc2)n1 ZINC001130220637 938747682 /nfs/dbraw/zinc/74/76/82/938747682.db2.gz HFZRLHLGZOMWLF-HOTGVXAUSA-N 1 1 355.442 1.312 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2ccccc2)n[nH]1 ZINC001130220637 938747683 /nfs/dbraw/zinc/74/76/83/938747683.db2.gz HFZRLHLGZOMWLF-HOTGVXAUSA-N 1 1 355.442 1.312 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(C)(C)O)n1 ZINC001130210163 938747939 /nfs/dbraw/zinc/74/79/39/938747939.db2.gz YIXVZPDEVHNWJE-KBPBESRZSA-N 1 1 365.478 1.010 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(C)(C)O)n[nH]1 ZINC001130210163 938747941 /nfs/dbraw/zinc/74/79/41/938747941.db2.gz YIXVZPDEVHNWJE-KBPBESRZSA-N 1 1 365.478 1.010 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC2(F)F)n1 ZINC001130220547 938749498 /nfs/dbraw/zinc/74/94/98/938749498.db2.gz CIGYUKOMQHAGTC-XQQFMLRXSA-N 1 1 369.416 1.504 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CCC2(F)F)n[nH]1 ZINC001130220547 938749499 /nfs/dbraw/zinc/74/94/99/938749499.db2.gz CIGYUKOMQHAGTC-XQQFMLRXSA-N 1 1 369.416 1.504 20 30 FDEDMO CC[C@@H](F)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC2CC2)n1 ZINC001130212807 938749565 /nfs/dbraw/zinc/74/95/65/938749565.db2.gz DXSLZHMVZOJRGA-ILXRZTDVSA-N 1 1 363.437 1.045 20 30 FDEDMO CC[C@@H](F)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC2CC2)n[nH]1 ZINC001130212807 938749566 /nfs/dbraw/zinc/74/95/66/938749566.db2.gz DXSLZHMVZOJRGA-ILXRZTDVSA-N 1 1 363.437 1.045 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C2CCC2)n1 ZINC001130220578 938751696 /nfs/dbraw/zinc/75/16/96/938751696.db2.gz FOHYYZJNXNHULS-BPUTZDHNSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)C2CCC2)n[nH]1 ZINC001130220578 938751698 /nfs/dbraw/zinc/75/16/98/938751698.db2.gz FOHYYZJNXNHULS-BPUTZDHNSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2=CCCC2)n1 ZINC001130200691 938754327 /nfs/dbraw/zinc/75/43/27/938754327.db2.gz SASAKRUXSZCRCH-HOTGVXAUSA-N 1 1 359.474 1.960 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2=CCCC2)n[nH]1 ZINC001130200691 938754329 /nfs/dbraw/zinc/75/43/29/938754329.db2.gz SASAKRUXSZCRCH-HOTGVXAUSA-N 1 1 359.474 1.960 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C23CCC(CC2)C3)[nH]1 ZINC001130223101 938757117 /nfs/dbraw/zinc/75/71/17/938757117.db2.gz LQEBEMOKZSNIOM-FZTQNYJHSA-N 1 1 371.485 1.487 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CCF)CC2)n1 ZINC001130224776 938758846 /nfs/dbraw/zinc/75/88/46/938758846.db2.gz BHXFCXDNOBQNFR-KBPBESRZSA-N 1 1 365.453 1.599 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(CCF)CC2)n[nH]1 ZINC001130224776 938758847 /nfs/dbraw/zinc/75/88/47/938758847.db2.gz BHXFCXDNOBQNFR-KBPBESRZSA-N 1 1 365.453 1.599 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC3(CCC3)C2)[nH]1 ZINC001130229706 938763069 /nfs/dbraw/zinc/76/30/69/938763069.db2.gz AUDGRIPAPKQBDZ-HOTGVXAUSA-N 1 1 371.485 1.487 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC2(C)C)n1 ZINC001130230126 938763572 /nfs/dbraw/zinc/76/35/72/938763572.db2.gz NFWDFGAYYPEEGN-ZNMIVQPWSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CCC2(C)C)n[nH]1 ZINC001130230126 938763574 /nfs/dbraw/zinc/76/35/74/938763574.db2.gz NFWDFGAYYPEEGN-ZNMIVQPWSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCCF)n1 ZINC001130230086 938763700 /nfs/dbraw/zinc/76/37/00/938763700.db2.gz MBIVUFHYVYGGLZ-KKUMJFAQSA-N 1 1 367.469 1.987 20 30 FDEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCCF)n[nH]1 ZINC001130230086 938763701 /nfs/dbraw/zinc/76/37/01/938763701.db2.gz MBIVUFHYVYGGLZ-KKUMJFAQSA-N 1 1 367.469 1.987 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)C2CCC2)[nH]1 ZINC001130230488 938764225 /nfs/dbraw/zinc/76/42/25/938764225.db2.gz XPLSTOBOLDTGFA-GJZGRUSLSA-N 1 1 359.474 1.343 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](F)c2ccccc2)[nH]1 ZINC001130240339 938764796 /nfs/dbraw/zinc/76/47/96/938764796.db2.gz OUKLHHFOTOAMPX-ZOBUZTSGSA-N 1 1 371.416 1.227 20 30 FDEDMO COc1cc(C#N)ccc1OCCOC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000805521549 938765208 /nfs/dbraw/zinc/76/52/08/938765208.db2.gz RKNZNEFDDUKZQQ-AWEZNQCLSA-N 1 1 350.440 1.926 20 30 FDEDMO COc1cc(C#N)ccc1OCCOC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000805521549 938765209 /nfs/dbraw/zinc/76/52/09/938765209.db2.gz RKNZNEFDDUKZQQ-AWEZNQCLSA-N 1 1 350.440 1.926 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C(C)(F)F)n1 ZINC001130238056 938767561 /nfs/dbraw/zinc/76/75/61/938767561.db2.gz QWNFLWVFFBBKCU-AGIUHOORSA-N 1 1 369.416 1.198 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)C(C)(F)F)n[nH]1 ZINC001130238056 938767562 /nfs/dbraw/zinc/76/75/62/938767562.db2.gz QWNFLWVFFBBKCU-AGIUHOORSA-N 1 1 369.416 1.198 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)CCOC)n1 ZINC001130246390 938771826 /nfs/dbraw/zinc/77/18/26/938771826.db2.gz JBMRGEDIYNIGFL-KBPBESRZSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)(C)CCOC)n[nH]1 ZINC001130246390 938771829 /nfs/dbraw/zinc/77/18/29/938771829.db2.gz JBMRGEDIYNIGFL-KBPBESRZSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)ccc2C)n1 ZINC001130251112 938774190 /nfs/dbraw/zinc/77/41/90/938774190.db2.gz BQTNVGPXGQWEEQ-RDJZCZTQSA-N 1 1 369.469 2.000 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)ccc2C)n[nH]1 ZINC001130251112 938774192 /nfs/dbraw/zinc/77/41/92/938774192.db2.gz BQTNVGPXGQWEEQ-RDJZCZTQSA-N 1 1 369.469 2.000 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)OCC)C[C@H]1c1cn(C)cn1 ZINC001130524538 938890828 /nfs/dbraw/zinc/89/08/28/938890828.db2.gz MHUCCSNHTDPZAQ-IMJJTQAJSA-N 1 1 354.882 1.872 20 30 FDEDMO COc1cc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cn(C)cn2)on1 ZINC001130590364 939897115 /nfs/dbraw/zinc/89/71/15/939897115.db2.gz MPIRENYXMUWEDU-DOTOQJQBSA-N 1 1 371.441 1.160 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130611623 939909369 /nfs/dbraw/zinc/90/93/69/939909369.db2.gz CGDKXDKTCXTBBV-ZXFNITATSA-N 1 1 354.458 1.407 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](CCC)OC)C[C@H]1c1cn(C)cn1 ZINC001130639579 939941846 /nfs/dbraw/zinc/94/18/46/939941846.db2.gz KRRPIIWECYRHDK-NUEKZKHPSA-N 1 1 354.882 1.872 20 30 FDEDMO C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001130656404 939960680 /nfs/dbraw/zinc/96/06/80/939960680.db2.gz IMMJWWCZCNJBRT-QILLFSRXSA-N 1 1 371.489 1.235 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130687966 939978172 /nfs/dbraw/zinc/97/81/72/939978172.db2.gz ZAWVVUNDRWRTNY-PKOBYXMFSA-N 1 1 357.502 1.059 20 30 FDEDMO C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@H]1c1cn(C)cn1 ZINC001130712641 939999170 /nfs/dbraw/zinc/99/91/70/939999170.db2.gz FIJOXVRPGCJZOD-DOTOQJQBSA-N 1 1 370.501 1.971 20 30 FDEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000806737211 940032389 /nfs/dbraw/zinc/03/23/89/940032389.db2.gz QLWVJKSMNRDFOJ-MAUKXSAKSA-N 1 1 363.458 1.723 20 30 FDEDMO C#CCN1CCC(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCC)C2)CC1 ZINC001130734521 940034986 /nfs/dbraw/zinc/03/49/86/940034986.db2.gz VPNLEGVVDCVDTN-AZUAARDMSA-N 1 1 371.529 1.449 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccnc3)n[nH]2)O1 ZINC001130745366 940049819 /nfs/dbraw/zinc/04/98/19/940049819.db2.gz XZJZOJZZHMLNSR-LSDHHAIUSA-N 1 1 356.430 1.516 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C=Cc3ccco3)n[nH]2)O1 ZINC001130747585 940053121 /nfs/dbraw/zinc/05/31/21/940053121.db2.gz YUDAVMFWLFDNJR-NEFCLYRVSA-N 1 1 357.414 1.723 20 30 FDEDMO C=CCCO[C@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC)O2)n1 ZINC001130762402 940071033 /nfs/dbraw/zinc/07/10/33/940071033.db2.gz USUGMAUBASLNEL-HZSPNIEDSA-N 1 1 351.451 1.232 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C#N)[nH]3)n[nH]2)O1 ZINC001130775374 940092371 /nfs/dbraw/zinc/09/23/71/940092371.db2.gz SSULEFMSDOGOLD-DZGCQCFKSA-N 1 1 369.429 1.320 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CCCOC3)n[nH]2)O1 ZINC001130765251 940095163 /nfs/dbraw/zinc/09/51/63/940095163.db2.gz JSPXNYKWPXOCAU-SOUVJXGZSA-N 1 1 363.462 1.233 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cncnc3C)n[nH]2)O1 ZINC001130767152 940100202 /nfs/dbraw/zinc/10/02/02/940100202.db2.gz ADHPDEYDPKBFGD-DZGCQCFKSA-N 1 1 371.445 1.219 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H](C)C(C)C)n[nH]2)O1 ZINC001130767256 940100530 /nfs/dbraw/zinc/10/05/30/940100530.db2.gz FRZNSOWWIZVOLM-HRCADAONSA-N 1 1 361.490 1.936 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)COC)n[nH]2)O1 ZINC001130769433 940106530 /nfs/dbraw/zinc/10/65/30/940106530.db2.gz JJYKQLINIFFNRW-QLFBSQMISA-N 1 1 365.478 1.479 20 30 FDEDMO C[C@@H](C#N)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC3CCCC3)O2)n1 ZINC001130769628 940106891 /nfs/dbraw/zinc/10/68/91/940106891.db2.gz MMYFWSBCLODBKC-AEGPPILISA-N 1 1 360.462 1.580 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C#CC3CC3)n[nH]2)O1 ZINC001130785756 940120848 /nfs/dbraw/zinc/12/08/48/940120848.db2.gz ZWXAYAHFRIJABO-JKSUJKDBSA-N 1 1 357.458 1.610 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)n3cccc3)n[nH]2)O1 ZINC001130776602 940125358 /nfs/dbraw/zinc/12/53/58/940125358.db2.gz HMQHTZKBSIJWBQ-QLFBSQMISA-N 1 1 358.446 1.479 20 30 FDEDMO 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FDEDMO CN1C(=O)CC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@@]2(C)C1 ZINC001091919685 953710821 /nfs/dbraw/zinc/71/08/21/953710821.db2.gz RAOXFASMQXXLQL-LQWHRVPQSA-N 1 1 366.465 1.459 20 30 FDEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cncn4)nc3)C[C@]2(C)C1 ZINC001091899122 953741014 /nfs/dbraw/zinc/74/10/14/953741014.db2.gz IWRCKFCJMHLJCP-APWZRJJASA-N 1 1 352.442 1.632 20 30 FDEDMO CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN(C(C)(C)C)C3=O)C[C@]2(C)C1 ZINC001091943246 953801096 /nfs/dbraw/zinc/80/10/96/953801096.db2.gz YXBQFOCBEDOIBL-LZJOCLMNSA-N 1 1 359.514 1.827 20 30 FDEDMO COc1cc(C=NNC(=S)NCCC[NH+]2CCOCC2)ccc1C ZINC000773026339 953864144 /nfs/dbraw/zinc/86/41/44/953864144.db2.gz DIACMFPLGVZMKT-UHFFFAOYSA-N 1 1 350.488 1.524 20 30 FDEDMO Cc1[nH+]ccn1CCCC(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)[C@@H]1C ZINC001091987762 953884628 /nfs/dbraw/zinc/88/46/28/953884628.db2.gz WHUCPHTUJVAAOH-PBHICJAKSA-N 1 1 367.457 1.725 20 30 FDEDMO 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C[C@]12CN(C(=O)Cc3ncn[nH]3)C[C@H]1C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001092182197 954475993 /nfs/dbraw/zinc/47/59/93/954475993.db2.gz OZUNQWCFKHZSCA-APWZRJJASA-N 1 1 350.426 1.199 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3cc(Cn4cccn4)on3)C[C@]2(C)C1 ZINC001092183635 954479914 /nfs/dbraw/zinc/47/99/14/954479914.db2.gz HHDPJZGYPJPSMY-BEFAXECRSA-N 1 1 355.442 1.889 20 30 FDEDMO CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3cc(Cn4cccn4)on3)C[C@]2(C)C1 ZINC001092184574 954481359 /nfs/dbraw/zinc/48/13/59/954481359.db2.gz WIBDMUAHQMBYKG-BEFAXECRSA-N 1 1 353.426 1.337 20 30 FDEDMO C[C@]12CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]1C[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001092215239 954545314 /nfs/dbraw/zinc/54/53/14/954545314.db2.gz PXRHCPSHVBOMGQ-SYNHAJSKSA-N 1 1 370.428 1.256 20 30 FDEDMO C[C@]12CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]1C[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001092215239 954545320 /nfs/dbraw/zinc/54/53/20/954545320.db2.gz PXRHCPSHVBOMGQ-SYNHAJSKSA-N 1 1 370.428 1.256 20 30 FDEDMO C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+]([C@H]4CCCN(C)C4=O)C[C@@]3(C)C2)cn1 ZINC001092211794 954619536 /nfs/dbraw/zinc/61/95/36/954619536.db2.gz NJQQUBHEKKWSBH-MMOPVJDHSA-N 1 1 366.465 1.078 20 30 FDEDMO C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@@H](C)c4nnc(C)o4)C[C@@]3(C)C2)nc1 ZINC001092211958 954620610 /nfs/dbraw/zinc/62/06/10/954620610.db2.gz WCYKFQGVAZIKTC-OWZDWXTDSA-N 1 1 365.437 1.909 20 30 FDEDMO C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+]([C@@H](C)c4nnc(C)o4)C[C@@]3(C)C2)nc1 ZINC001092211958 954620612 /nfs/dbraw/zinc/62/06/12/954620612.db2.gz WCYKFQGVAZIKTC-OWZDWXTDSA-N 1 1 365.437 1.909 20 30 FDEDMO C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)Cn3c(C)csc3=O)C[C@]2(C)C1 ZINC001092269818 954642189 /nfs/dbraw/zinc/64/21/89/954642189.db2.gz UENQKDFCVIYPKM-CJNGLKHVSA-N 1 1 355.891 1.751 20 30 FDEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3c(C)csc3=O)C[C@]2(C)C1 ZINC001092269818 954642194 /nfs/dbraw/zinc/64/21/94/954642194.db2.gz UENQKDFCVIYPKM-CJNGLKHVSA-N 1 1 355.891 1.751 20 30 FDEDMO 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/nfs/dbraw/zinc/75/93/32/525759332.db2.gz JUYDZJWYJXOEQM-ROUUACIJSA-N 1 1 374.485 1.267 20 30 FDEDMO CC(C)[C@@H](CNC(=O)NCc1ccc(C#N)cc1F)N1CC[NH+](C)CC1 ZINC000170935037 525778925 /nfs/dbraw/zinc/77/89/25/525778925.db2.gz QXXJFSDMKVMRMA-GOSISDBHSA-N 1 1 361.465 1.769 20 30 FDEDMO C=CCn1c(SCCC[NH+]2CCN(C)CC2)nnc1-c1cnccn1 ZINC000131059755 525822887 /nfs/dbraw/zinc/82/28/87/525822887.db2.gz NQIBWFHVIOAZTG-UHFFFAOYSA-N 1 1 359.503 1.651 20 30 FDEDMO C=CCc1ccc(OCC(=O)N2CC[NH2+]C[C@@H]2c2cnn(C)c2)c(OC)c1 ZINC000181392543 525849008 /nfs/dbraw/zinc/84/90/08/525849008.db2.gz IFVBMJOFGZXXQD-QGZVFWFLSA-N 1 1 370.453 1.709 20 30 FDEDMO COCC[N@H+](C)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000155531121 525896328 /nfs/dbraw/zinc/89/63/28/525896328.db2.gz GSRZVPOWYBIVMX-UHFFFAOYSA-N 1 1 365.377 1.434 20 30 FDEDMO COCC[N@@H+](C)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000155531121 525896332 /nfs/dbraw/zinc/89/63/32/525896332.db2.gz GSRZVPOWYBIVMX-UHFFFAOYSA-N 1 1 365.377 1.434 20 30 FDEDMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000131770365 525901827 /nfs/dbraw/zinc/90/18/27/525901827.db2.gz XRLAFYURRZUHPK-KRWDZBQOSA-N 1 1 357.458 1.541 20 30 FDEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000155577083 525910451 /nfs/dbraw/zinc/91/04/51/525910451.db2.gz SRNRZYKVVVAQQL-CQSZACIVSA-N 1 1 368.397 1.846 20 30 FDEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000155577083 525910458 /nfs/dbraw/zinc/91/04/58/525910458.db2.gz SRNRZYKVVVAQQL-CQSZACIVSA-N 1 1 368.397 1.846 20 30 FDEDMO N#CCSCC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108178439 525937881 /nfs/dbraw/zinc/93/78/81/525937881.db2.gz CSDIRCMWIOPBCO-INIZCTEOSA-N 1 1 360.483 1.257 20 30 FDEDMO Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1S(=O)(=O)NCC#N ZINC000108796464 526027553 /nfs/dbraw/zinc/02/75/53/526027553.db2.gz HEYFVPWFKHKYGT-CYBMUJFWSA-N 1 1 364.471 1.009 20 30 FDEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)OC)ccc2F)CC1 ZINC000171536448 526028116 /nfs/dbraw/zinc/02/81/16/526028116.db2.gz QPXNOTDQXCPVIF-UHFFFAOYSA-N 1 1 356.419 1.541 20 30 FDEDMO CCCC[N@@H+](CCOC)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000109334160 526111154 /nfs/dbraw/zinc/11/11/54/526111154.db2.gz QCPVZBNMNCGUSU-UHFFFAOYSA-N 1 1 363.462 1.252 20 30 FDEDMO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000134095555 526122329 /nfs/dbraw/zinc/12/23/29/526122329.db2.gz MYPPXJLPHZJHOV-CABCVRRESA-N 1 1 358.442 1.716 20 30 FDEDMO COC(=O)CN(C)C(=O)CC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000109827822 526193848 /nfs/dbraw/zinc/19/38/48/526193848.db2.gz UAYOUZOLNYGTMJ-UHFFFAOYSA-N 1 1 372.469 1.087 20 30 FDEDMO CCC[N@@H+](CC)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000120878287 526208232 /nfs/dbraw/zinc/20/82/32/526208232.db2.gz FMAVQFXMMDEQJV-CQSZACIVSA-N 1 1 366.487 1.073 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3nnc(Cl)cc3C(N)=O)CC2)cc1 ZINC000110100959 526221162 /nfs/dbraw/zinc/22/11/62/526221162.db2.gz PBMSNKOGNBKBCU-UHFFFAOYSA-N 1 1 370.844 1.813 20 30 FDEDMO C[C@H](C#N)CNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000182651207 535839498 /nfs/dbraw/zinc/83/94/98/535839498.db2.gz PQZIIDIQZOGQLZ-PBHICJAKSA-N 1 1 357.458 1.343 20 30 FDEDMO C[C@@H]1CSCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000182792479 535863630 /nfs/dbraw/zinc/86/36/30/535863630.db2.gz PJFUWFLUFGAGEN-CABCVRRESA-N 1 1 364.540 1.894 20 30 FDEDMO C[C@@H]1CSCC[N@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000182792479 535863634 /nfs/dbraw/zinc/86/36/34/535863634.db2.gz PJFUWFLUFGAGEN-CABCVRRESA-N 1 1 364.540 1.894 20 30 FDEDMO COc1cccc([C@@H]2[C@@H](NC(=O)Cn3cnc(C#N)n3)CC[N@H+]2C2CC2)c1 ZINC000183254648 535951273 /nfs/dbraw/zinc/95/12/73/535951273.db2.gz IRGFXNCUWSYVBL-QFBILLFUSA-N 1 1 366.425 1.253 20 30 FDEDMO C=CC[NH+]1CCC(NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000183650942 536022997 /nfs/dbraw/zinc/02/29/97/536022997.db2.gz AJSGGSXOFYWOFN-UHFFFAOYSA-N 1 1 353.444 1.707 20 30 FDEDMO CC[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[N@H+]1Cc1ccccc1 ZINC000184006270 536079268 /nfs/dbraw/zinc/07/92/68/536079268.db2.gz ZJDXCMBIPFQOJQ-INIZCTEOSA-N 1 1 367.453 1.056 20 30 FDEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000184406410 536146745 /nfs/dbraw/zinc/14/67/45/536146745.db2.gz WFVVSKAMIMQCIE-ZGRWHYIRSA-N 1 1 356.470 1.744 20 30 FDEDMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000184639559 536171604 /nfs/dbraw/zinc/17/16/04/536171604.db2.gz QVLFWNLBNBQMPX-CQSZACIVSA-N 1 1 353.430 1.992 20 30 FDEDMO C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000185093630 536198180 /nfs/dbraw/zinc/19/81/80/536198180.db2.gz LKVNFAOEUFUGIF-INIZCTEOSA-N 1 1 357.454 1.731 20 30 FDEDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C#N)cc2OC)[C@H](C)C1 ZINC000185755776 536216770 /nfs/dbraw/zinc/21/67/70/536216770.db2.gz NTUGNOSWPRPNES-UKRRQHHQSA-N 1 1 351.472 1.918 20 30 FDEDMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000187719776 536272657 /nfs/dbraw/zinc/27/26/57/536272657.db2.gz AFNHVVQTNSCZLB-UHFFFAOYSA-N 1 1 366.368 1.651 20 30 FDEDMO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000187829862 536275811 /nfs/dbraw/zinc/27/58/11/536275811.db2.gz LAXSGPZOZHLEDX-ZDUSSCGKSA-N 1 1 358.442 1.109 20 30 FDEDMO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000187829862 536275812 /nfs/dbraw/zinc/27/58/12/536275812.db2.gz LAXSGPZOZHLEDX-ZDUSSCGKSA-N 1 1 358.442 1.109 20 30 FDEDMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2cccc(C#N)c2)CC1=O ZINC000246345409 536932660 /nfs/dbraw/zinc/93/26/60/536932660.db2.gz CMHKQSYBECWTTG-ROUUACIJSA-N 1 1 354.454 1.507 20 30 FDEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)COCc1ccco1 ZINC000246428265 536951836 /nfs/dbraw/zinc/95/18/36/536951836.db2.gz MYKDFGYBCVLMAC-HUUCEWRRSA-N 1 1 357.414 1.029 20 30 FDEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H](O)COCc1ccco1 ZINC000246428265 536951840 /nfs/dbraw/zinc/95/18/40/536951840.db2.gz MYKDFGYBCVLMAC-HUUCEWRRSA-N 1 1 357.414 1.029 20 30 FDEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000246621402 536991673 /nfs/dbraw/zinc/99/16/73/536991673.db2.gz MXZHGEJEZKFXBZ-AEFFLSMTSA-N 1 1 356.470 1.929 20 30 FDEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000246621402 536991675 /nfs/dbraw/zinc/99/16/75/536991675.db2.gz MXZHGEJEZKFXBZ-AEFFLSMTSA-N 1 1 356.470 1.929 20 30 FDEDMO C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000268171441 537011636 /nfs/dbraw/zinc/01/16/36/537011636.db2.gz LSCFINSWIJSLEA-CXAGYDPISA-N 1 1 370.453 1.140 20 30 FDEDMO Cc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)ccc1-n1cncn1 ZINC000246779562 537024446 /nfs/dbraw/zinc/02/44/46/537024446.db2.gz QDHNOYBQUQRBIQ-MRXNPFEDSA-N 1 1 374.452 1.948 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000247047911 537074017 /nfs/dbraw/zinc/07/40/17/537074017.db2.gz SKRXEXRXXUGPGC-YESZJQIVSA-N 1 1 350.507 1.973 20 30 FDEDMO CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)nc2)[C@@H](C)C1 ZINC000247201117 537094380 /nfs/dbraw/zinc/09/43/80/537094380.db2.gz LTTFSIIPHRHFTQ-YOEHRIQHSA-N 1 1 366.487 1.369 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000247224067 537096802 /nfs/dbraw/zinc/09/68/02/537096802.db2.gz XXPJKDOOGQQJHL-UONOGXRCSA-N 1 1 356.430 1.309 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000247224067 537096806 /nfs/dbraw/zinc/09/68/06/537096806.db2.gz XXPJKDOOGQQJHL-UONOGXRCSA-N 1 1 356.430 1.309 20 30 FDEDMO CCOC(=O)C1CCN(C(=O)C[N@H+](C)CCOc2ccccc2C#N)CC1 ZINC000263823524 537110517 /nfs/dbraw/zinc/11/05/17/537110517.db2.gz QVPSIRZHSXQNPX-UHFFFAOYSA-N 1 1 373.453 1.671 20 30 FDEDMO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)CCOc2ccccc2C#N)CC1 ZINC000263823524 537110519 /nfs/dbraw/zinc/11/05/19/537110519.db2.gz QVPSIRZHSXQNPX-UHFFFAOYSA-N 1 1 373.453 1.671 20 30 FDEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000263893645 537128811 /nfs/dbraw/zinc/12/88/11/537128811.db2.gz OROIGHUTRIODJP-WBMJQRKESA-N 1 1 352.460 1.039 20 30 FDEDMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCC(=O)NCc1ccco1 ZINC000264953890 537150826 /nfs/dbraw/zinc/15/08/26/537150826.db2.gz VZRPQDCVRTUXKO-GFCCVEGCSA-N 1 1 368.434 1.688 20 30 FDEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000248231118 537171288 /nfs/dbraw/zinc/17/12/88/537171288.db2.gz BTFNKWUYVHRLAU-BRSBDYLESA-N 1 1 350.507 1.568 20 30 FDEDMO CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248231118 537171293 /nfs/dbraw/zinc/17/12/93/537171293.db2.gz BTFNKWUYVHRLAU-BRSBDYLESA-N 1 1 350.507 1.568 20 30 FDEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCSC[C@H](C)C3)CC2)o1 ZINC000190407490 537171884 /nfs/dbraw/zinc/17/18/84/537171884.db2.gz PRFMNJMUVPPJJI-CYBMUJFWSA-N 1 1 363.487 1.188 20 30 FDEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CC(C)(C)OC(C)(C)C2)CC1 ZINC000190565568 537178301 /nfs/dbraw/zinc/17/83/01/537178301.db2.gz HHZDTVHBYKZPOQ-INIZCTEOSA-N 1 1 350.507 1.568 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 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C=CCCCCCN(C)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658591816 784560378 /nfs/dbraw/zinc/56/03/78/784560378.db2.gz AZCSDYCAOSQILT-QGZVFWFLSA-N 1 1 351.491 1.249 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(=O)[nH]n4)[C@@H]3C2)c(F)c1 ZINC001075528118 791045211 /nfs/dbraw/zinc/04/52/11/791045211.db2.gz TXXVUXQLAGDYQJ-WMLDXEAASA-N 1 1 367.384 1.539 20 30 FDEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4ccc(=O)[nH]n4)[C@@H]3C2)c(F)c1 ZINC001075528118 791045221 /nfs/dbraw/zinc/04/52/21/791045221.db2.gz TXXVUXQLAGDYQJ-WMLDXEAASA-N 1 1 367.384 1.539 20 30 FDEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000364337395 784957362 /nfs/dbraw/zinc/95/73/62/784957362.db2.gz NAGFODISOXGNND-WBVHZDCISA-N 1 1 371.397 1.740 20 30 FDEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000364517767 785086133 /nfs/dbraw/zinc/08/61/33/785086133.db2.gz KZMKGBBCCHVZCV-CCKFTAQKSA-N 1 1 366.465 1.648 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccc(C)s4)[C@@H]3C2)C1=O ZINC001075496614 785220895 /nfs/dbraw/zinc/22/08/95/785220895.db2.gz DOFCBIBMQKKTOM-ARFHVFGLSA-N 1 1 359.495 1.990 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCN1CCCC1=O ZINC001024701403 785779929 /nfs/dbraw/zinc/77/99/29/785779929.db2.gz BRKNEUJEBCGCOJ-LNLFQRSKSA-N 1 1 363.502 1.561 20 30 FDEDMO CCc1nc(C[NH+]2CCC(CNC(=O)NCC#CCO)CC2)cs1 ZINC000923780593 785927866 /nfs/dbraw/zinc/92/78/66/785927866.db2.gz IJULOOGVFIDBPC-UHFFFAOYSA-N 1 1 350.488 1.212 20 30 FDEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CC[C@@H](C(N)=O)C4)[C@@H]3C2)c1 ZINC000978709172 805683220 /nfs/dbraw/zinc/68/32/20/805683220.db2.gz LPAXUCOMMRZYIR-ZRSRNVLSSA-N 1 1 366.465 1.254 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCc3cnn(CC)c3)C[C@H]21 ZINC000978709649 805684329 /nfs/dbraw/zinc/68/43/29/805684329.db2.gz BHAKJDOLNBJQKY-QQXKLLMISA-N 1 1 358.486 1.331 20 30 FDEDMO 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C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(COC)cc3)C[C@@H]2O)nc1 ZINC001083965251 912899238 /nfs/dbraw/zinc/89/92/38/912899238.db2.gz BBLCMWQFLOXSJT-UXHICEINSA-N 1 1 365.433 1.184 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(COC)cc3)C[C@@H]2O)nc1 ZINC001083965251 912899249 /nfs/dbraw/zinc/89/92/49/912899249.db2.gz BBLCMWQFLOXSJT-UXHICEINSA-N 1 1 365.433 1.184 20 30 FDEDMO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](CCCCOC)C[C@@H]1n1ccnn1 ZINC001129014369 885120646 /nfs/dbraw/zinc/12/06/46/885120646.db2.gz HLBGRALVUNJGGD-MSOLQXFVSA-N 1 1 361.490 1.815 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CF)cc3)C[C@@H]2O)nc1 ZINC001083965673 912901207 /nfs/dbraw/zinc/90/12/07/912901207.db2.gz SXJXSJWZCJRAQD-MOPGFXCFSA-N 1 1 353.397 1.508 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(CF)cc3)C[C@@H]2O)nc1 ZINC001083965673 912901217 /nfs/dbraw/zinc/90/12/17/912901217.db2.gz SXJXSJWZCJRAQD-MOPGFXCFSA-N 1 1 353.397 1.508 20 30 FDEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](Cc2csc(C)c2)C[C@@H]1O 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C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)c(OC)c3)C[C@@H]2O)nc1 ZINC001083969480 912917526 /nfs/dbraw/zinc/91/75/26/912917526.db2.gz FINQCZXRDAGGHH-MOPGFXCFSA-N 1 1 365.433 1.355 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C)c(OC)c3)C[C@@H]2O)nc1 ZINC001083969480 912917531 /nfs/dbraw/zinc/91/75/31/912917531.db2.gz FINQCZXRDAGGHH-MOPGFXCFSA-N 1 1 365.433 1.355 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cnc(C)nc2OC)[C@@H](n2ccnn2)C1 ZINC001129042906 885512881 /nfs/dbraw/zinc/51/28/81/885512881.db2.gz BUBBJVZYWMRQFG-CVEARBPZSA-N 1 1 371.445 1.007 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)CC2(C(F)(F)F)CC2)[C@@H](n2ccnn2)C1 ZINC001129043097 885515592 /nfs/dbraw/zinc/51/55/92/885515592.db2.gz HBQOFONRNNFRHD-OLZOCXBDSA-N 1 1 355.364 1.376 20 30 FDEDMO C#CCC1(C(=O)N[C@@H]2C[N@H+](CCCCCF)C[C@@H]2n2ccnn2)CCC1 ZINC001129049510 885540759 /nfs/dbraw/zinc/54/07/59/885540759.db2.gz ZCYGDVBQKZJMSS-SJORKVTESA-N 1 1 361.465 1.953 20 30 FDEDMO 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FDEDMO C#CCCCCC(=O)N1C[C@@H]([NH2+]Cc2cncc(F)c2)[C@@H](n2ccnn2)C1 ZINC001129756754 938501726 /nfs/dbraw/zinc/50/17/26/938501726.db2.gz GOOQXTXOYIDTKW-MSOLQXFVSA-N 1 1 370.432 1.548 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001086625262 938511722 /nfs/dbraw/zinc/51/17/22/938511722.db2.gz RASJNWQTOPKUJO-ZCNNSNEGSA-N 1 1 357.498 1.867 20 30 FDEDMO Cc1cnc([C@H](C)[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2n2ccnn2)cn1 ZINC001129822136 938521907 /nfs/dbraw/zinc/52/19/07/938521907.db2.gz HBVTWBAHHWIPTB-JQHSSLGASA-N 1 1 367.457 1.139 20 30 FDEDMO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)N2CCCCC2=O)C1 ZINC001086625527 938530484 /nfs/dbraw/zinc/53/04/84/938530484.db2.gz HIGLIZPAIAMYAW-NZSAHSFTSA-N 1 1 353.466 1.605 20 30 FDEDMO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)N2CCCCC2=O)C1 ZINC001086625527 938530485 /nfs/dbraw/zinc/53/04/85/938530485.db2.gz HIGLIZPAIAMYAW-NZSAHSFTSA-N 1 1 353.466 1.605 20 30 FDEDMO C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc3nn[nH]c32)C[C@@H]1n1ccnn1 ZINC001129863331 938531712 /nfs/dbraw/zinc/53/17/12/938531712.db2.gz CECRWOSLRNFLBH-CVEARBPZSA-N 1 1 366.429 1.171 20 30 FDEDMO C=C(C)CCC(=O)N1C[C@@H]([NH2+]Cc2c(C)noc2C)[C@@H](n2ccnn2)C1 ZINC001129878692 938536035 /nfs/dbraw/zinc/53/60/35/938536035.db2.gz AANKZAZYPHESPZ-SJORKVTESA-N 1 1 358.446 1.781 20 30 FDEDMO C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)nc2)[C@@H](n2ccnn2)C1 ZINC001129876313 938546752 /nfs/dbraw/zinc/54/67/52/938546752.db2.gz KNZULBHOVUQKBE-SJORKVTESA-N 1 1 369.473 1.521 20 30 FDEDMO C#CCN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000804835559 938591073 /nfs/dbraw/zinc/59/10/73/938591073.db2.gz RBOJPZSYZRUCRV-WOJBJXKFSA-N 1 1 367.493 1.981 20 30 FDEDMO CC#CCCCC(=O)N1C[C@@H]([NH2+]Cc2c(C)noc2C)[C@@H](n2ccnn2)C1 ZINC001129972736 938591641 /nfs/dbraw/zinc/59/16/41/938591641.db2.gz KZLAIEGUFWYJGJ-MSOLQXFVSA-N 1 1 370.457 1.618 20 30 FDEDMO C=C[C@@H](CC)CC(=O)N1C[C@@H]([NH2+]Cc2cc(C)no2)[C@@H](n2ccnn2)C1 ZINC001129977718 938592805 /nfs/dbraw/zinc/59/28/05/938592805.db2.gz CTKIJSCJUGFBLG-UAGQMJEPSA-N 1 1 358.446 1.719 20 30 FDEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2conc2C)[C@@H](n2ccnn2)C1 ZINC001129976189 938600287 /nfs/dbraw/zinc/60/02/87/938600287.db2.gz HFUQYTIZBGSWDJ-XYPHTWIQSA-N 1 1 358.446 1.719 20 30 FDEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cnoc2C)[C@@H](n2ccnn2)C1 ZINC001129976173 938600348 /nfs/dbraw/zinc/60/03/48/938600348.db2.gz GRJTYBQRMXHZER-XYPHTWIQSA-N 1 1 358.446 1.719 20 30 FDEDMO C#CC[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000804909285 938603629 /nfs/dbraw/zinc/60/36/29/938603629.db2.gz PLDXJBZLCIJYBV-GOSISDBHSA-N 1 1 356.470 1.131 20 30 FDEDMO CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(CCCCC)[nH]n2)C[C@@H]1n1ccnn1 ZINC001130040814 938627245 /nfs/dbraw/zinc/62/72/45/938627245.db2.gz MVZQUKODTMLCSB-MSOLQXFVSA-N 1 1 369.473 1.413 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(F)F)n1 ZINC001130179555 938726773 /nfs/dbraw/zinc/72/67/73/938726773.db2.gz ILABWNHGDCUGRM-RYUDHWBXSA-N 1 1 357.405 1.504 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)(F)F)n[nH]1 ZINC001130179555 938726775 /nfs/dbraw/zinc/72/67/75/938726775.db2.gz ILABWNHGDCUGRM-RYUDHWBXSA-N 1 1 357.405 1.504 20 30 FDEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CSC)n1 ZINC001130181671 938728831 /nfs/dbraw/zinc/72/88/31/938728831.db2.gz PBLBBSWGPJQSLU-IHRRRGAJSA-N 1 1 367.519 1.601 20 30 FDEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CSC)n[nH]1 ZINC001130181671 938728832 /nfs/dbraw/zinc/72/88/32/938728832.db2.gz PBLBBSWGPJQSLU-IHRRRGAJSA-N 1 1 367.519 1.601 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C)C(C)C)[nH]1 ZINC001130193236 938737855 /nfs/dbraw/zinc/73/78/55/938737855.db2.gz OAGHNUZABBDINL-PMPSAXMXSA-N 1 1 361.490 1.589 20 30 FDEDMO CC/C=C\CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C#N)n1 ZINC001130203208 938744890 /nfs/dbraw/zinc/74/48/90/938744890.db2.gz SXQHULSSHWQXDQ-VMPYYGSESA-N 1 1 360.462 1.399 20 30 FDEDMO CC/C=C\CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)C#N)n[nH]1 ZINC001130203208 938744891 /nfs/dbraw/zinc/74/48/91/938744891.db2.gz SXQHULSSHWQXDQ-VMPYYGSESA-N 1 1 360.462 1.399 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)C(=C)Cl)[nH]1 ZINC001130216195 938752640 /nfs/dbraw/zinc/75/26/40/938752640.db2.gz QKCWXBUPAYAHGB-STQMWFEESA-N 1 1 365.865 1.295 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCC(C)(F)F)n1 ZINC001130220641 938756200 /nfs/dbraw/zinc/75/62/00/938756200.db2.gz HKTYVZCRGRWNHF-STQMWFEESA-N 1 1 371.432 1.895 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCC(C)(F)F)n[nH]1 ZINC001130220641 938756202 /nfs/dbraw/zinc/75/62/02/938756202.db2.gz HKTYVZCRGRWNHF-STQMWFEESA-N 1 1 371.432 1.895 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCc2ccccn2)n1 ZINC001130227534 938761226 /nfs/dbraw/zinc/76/12/26/938761226.db2.gz CKIGOFYJEUGBEV-HOTGVXAUSA-N 1 1 370.457 1.097 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCc2ccccn2)n[nH]1 ZINC001130227534 938761227 /nfs/dbraw/zinc/76/12/27/938761227.db2.gz CKIGOFYJEUGBEV-HOTGVXAUSA-N 1 1 370.457 1.097 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](F)CC)[nH]1 ZINC001130229785 938763272 /nfs/dbraw/zinc/76/32/72/938763272.db2.gz GAWCSPMQDPNQDO-TUAOUCFPSA-N 1 1 359.833 1.384 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(C)=C(C)C)n1 ZINC001130229981 938763647 /nfs/dbraw/zinc/76/36/47/938763647.db2.gz LIWYXWBECXXHRF-HOTGVXAUSA-N 1 1 359.474 1.653 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(C)=C(C)C)n[nH]1 ZINC001130229981 938763648 /nfs/dbraw/zinc/76/36/48/938763648.db2.gz LIWYXWBECXXHRF-HOTGVXAUSA-N 1 1 359.474 1.653 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(C)(F)F)n1 ZINC001130232173 938764754 /nfs/dbraw/zinc/76/47/54/938764754.db2.gz BIPGPYZDQHEUSA-STQMWFEESA-N 1 1 371.432 1.895 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(C)(F)F)n[nH]1 ZINC001130232173 938764755 /nfs/dbraw/zinc/76/47/55/938764755.db2.gz BIPGPYZDQHEUSA-STQMWFEESA-N 1 1 371.432 1.895 20 30 FDEDMO C=C(C)C[C@@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130232222 938764762 /nfs/dbraw/zinc/76/47/62/938764762.db2.gz DFIAGDUACIDPOL-RDBSUJKOSA-N 1 1 353.442 1.455 20 30 FDEDMO C=C(C)C[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130232222 938764763 /nfs/dbraw/zinc/76/47/63/938764763.db2.gz DFIAGDUACIDPOL-RDBSUJKOSA-N 1 1 353.442 1.455 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](OC)C(C)C)n1 ZINC001130234737 938766068 /nfs/dbraw/zinc/76/60/68/938766068.db2.gz JGBKQORHRFZJDR-OFQRWUPVSA-N 1 1 365.478 1.130 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](OC)C(C)C)n[nH]1 ZINC001130234737 938766069 /nfs/dbraw/zinc/76/60/69/938766069.db2.gz JGBKQORHRFZJDR-OFQRWUPVSA-N 1 1 365.478 1.130 20 30 FDEDMO C=C[C@@](C)(CC)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130234950 938766269 /nfs/dbraw/zinc/76/62/69/938766269.db2.gz QPKLWFIDPLGCQR-DOXZYTNZSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C[C@@](C)(CC)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1 ZINC001130234950 938766271 /nfs/dbraw/zinc/76/62/71/938766271.db2.gz QPKLWFIDPLGCQR-DOXZYTNZSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C(C)C)CC2)n1 ZINC001130234748 938766326 /nfs/dbraw/zinc/76/63/26/938766326.db2.gz JOHGBEWNGTWZMR-GJZGRUSLSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(C(C)C)CC2)n[nH]1 ZINC001130234748 938766328 /nfs/dbraw/zinc/76/63/28/938766328.db2.gz JOHGBEWNGTWZMR-GJZGRUSLSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CF)CC2)n1 ZINC001130237960 938767411 /nfs/dbraw/zinc/76/74/11/938767411.db2.gz MDBVFRXYKJPSSN-STQMWFEESA-N 1 1 351.426 1.209 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(CF)CC2)n[nH]1 ZINC001130237960 938767413 /nfs/dbraw/zinc/76/74/13/938767413.db2.gz MDBVFRXYKJPSSN-STQMWFEESA-N 1 1 351.426 1.209 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)c2ccco2)n1 ZINC001130238202 938767771 /nfs/dbraw/zinc/76/77/71/938767771.db2.gz YPFNGAUQEGLTSI-YCPHGPKFSA-N 1 1 371.441 1.303 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)c2ccco2)n[nH]1 ZINC001130238202 938767773 /nfs/dbraw/zinc/76/77/73/938767773.db2.gz YPFNGAUQEGLTSI-YCPHGPKFSA-N 1 1 371.441 1.303 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CF)CC2)n1 ZINC001130238101 938767778 /nfs/dbraw/zinc/76/77/78/938767778.db2.gz TXVLSIJRAGHQDH-KBPBESRZSA-N 1 1 365.453 1.599 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(CF)CC2)n[nH]1 ZINC001130238101 938767779 /nfs/dbraw/zinc/76/77/79/938767779.db2.gz TXVLSIJRAGHQDH-KBPBESRZSA-N 1 1 365.453 1.599 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(CC)CC)n1 ZINC001130244340 938770490 /nfs/dbraw/zinc/77/04/90/938770490.db2.gz HPKZWQWVFKVSEK-HOTGVXAUSA-N 1 1 361.490 1.733 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(CC)CC)n[nH]1 ZINC001130244340 938770492 /nfs/dbraw/zinc/77/04/92/938770492.db2.gz HPKZWQWVFKVSEK-HOTGVXAUSA-N 1 1 361.490 1.733 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)c2ccccc2)[nH]1 ZINC001130248934 938773321 /nfs/dbraw/zinc/77/33/21/938773321.db2.gz BALSVFRQEJEIJG-XIRDDKMYSA-N 1 1 367.453 1.320 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C)cc2)n1 ZINC001130251264 938774620 /nfs/dbraw/zinc/77/46/20/938774620.db2.gz KNBDAEBYNRANGQ-IRXDYDNUSA-N 1 1 367.453 1.529 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C)cc2)n[nH]1 ZINC001130251264 938774622 /nfs/dbraw/zinc/77/46/22/938774622.db2.gz KNBDAEBYNRANGQ-IRXDYDNUSA-N 1 1 367.453 1.529 20 30 FDEDMO C=CCNC(=O)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001130422863 938843978 /nfs/dbraw/zinc/84/39/78/938843978.db2.gz BTHUUBTZQFJAAK-IJEWVQPXSA-N 1 1 359.474 1.164 20 30 FDEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001130422863 938843980 /nfs/dbraw/zinc/84/39/80/938843980.db2.gz BTHUUBTZQFJAAK-IJEWVQPXSA-N 1 1 359.474 1.164 20 30 FDEDMO COCC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001130427254 938845000 /nfs/dbraw/zinc/84/50/00/938845000.db2.gz MQVHTKUTOFVFOM-DDBAPUKQSA-N 1 1 372.469 1.033 20 30 FDEDMO C#Cc1cncc(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)c1 ZINC000806579284 939968110 /nfs/dbraw/zinc/96/81/10/939968110.db2.gz BOZKJRBSOKRSHN-UHFFFAOYSA-N 1 1 355.360 1.790 20 30 FDEDMO C#CCC[NH+]1CCN(C(=O)[C@@](N)(c2cccc(F)c2)C(F)(F)F)CC1 ZINC000806594235 939975703 /nfs/dbraw/zinc/97/57/03/939975703.db2.gz NUOCUAJYEQHNMR-INIZCTEOSA-N 1 1 357.351 1.710 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130736412 940037391 /nfs/dbraw/zinc/03/73/91/940037391.db2.gz DLPKPIAWOGCLKX-AZUAARDMSA-N 1 1 371.529 1.594 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cccs3)n[nH]2)O1 ZINC001130744787 940048403 /nfs/dbraw/zinc/04/84/03/940048403.db2.gz KZRREAITWFTRFD-GXTWGEPZSA-N 1 1 361.471 1.721 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cccnc3)n[nH]2)O1 ZINC001130774813 940091029 /nfs/dbraw/zinc/09/10/29/940091029.db2.gz DGXJFZSZPAWNBE-JKSUJKDBSA-N 1 1 370.457 1.444 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cscn3)n[nH]2)O1 ZINC001130764961 940094243 /nfs/dbraw/zinc/09/42/43/940094243.db2.gz ADWSVLQPFKQDFA-WCQYABFASA-N 1 1 362.459 1.577 20 30 FDEDMO C=CCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCOCC=C)O2)n1 ZINC001130767186 940099868 /nfs/dbraw/zinc/09/98/68/940099868.db2.gz BNECZFLUZJKYSI-LSDHHAIUSA-N 1 1 363.462 1.399 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C=CC(C)(C)C)n[nH]2)O1 ZINC001130767606 940102228 /nfs/dbraw/zinc/10/22/28/940102228.db2.gz OKUDSCVBXUZCQS-VUFKQPGHSA-N 1 1 359.474 1.856 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3CCOC3)n[nH]2)O1 ZINC001130769800 940107687 /nfs/dbraw/zinc/10/76/87/940107687.db2.gz OTRZAHPDBXEACL-SOUVJXGZSA-N 1 1 363.462 1.233 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ocnc3C)n[nH]2)O1 ZINC001130772128 940111139 /nfs/dbraw/zinc/11/11/39/940111139.db2.gz AKASAPFKHXLSAB-QWHCGFSZSA-N 1 1 360.418 1.417 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)CSC)n[nH]2)O1 ZINC001130772552 940113014 /nfs/dbraw/zinc/11/30/14/940113014.db2.gz RLFFLOCYHZHEAB-HZSPNIEDSA-N 1 1 365.503 1.253 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccn(C)c3)n[nH]2)O1 ZINC001130772728 940113416 /nfs/dbraw/zinc/11/34/16/940113416.db2.gz ZEJXZHATPDQFOT-LSDHHAIUSA-N 1 1 358.446 1.459 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CCCC4(CC4)C3)n[nH]2)O1 ZINC001130785754 940120471 /nfs/dbraw/zinc/12/04/71/940120471.db2.gz ZNXBEBMYSOBSQE-OWCLPIDISA-N 1 1 371.485 1.834 20 30 FDEDMO C=C[C@](C)(O)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCC)O2)n1 ZINC001130778124 940131137 /nfs/dbraw/zinc/13/11/37/940131137.db2.gz GTYZWQLYLUUVJS-IYOUNJFTSA-N 1 1 365.478 1.358 20 30 FDEDMO C#CCCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C[C@H](C)OC)O2)n1 ZINC001130778437 940132023 /nfs/dbraw/zinc/13/20/23/940132023.db2.gz XYEHGPFPWKFRTM-SOUVJXGZSA-N 1 1 363.462 1.069 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3[nH]ccc3C)n[nH]2)O1 ZINC001130781119 940136597 /nfs/dbraw/zinc/13/65/97/940136597.db2.gz PEGPQGDCFFEYHN-UONOGXRCSA-N 1 1 356.430 1.204 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H](C)SC)n[nH]2)O1 ZINC001130781284 940137206 /nfs/dbraw/zinc/13/72/06/940137206.db2.gz WXBXYUPFBMBDAI-MELADBBJSA-N 1 1 365.503 1.396 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(C)CCCC3)n[nH]2)O1 ZINC001130794040 940144865 /nfs/dbraw/zinc/14/48/65/940144865.db2.gz JKRYAJOAPWMRRB-LSDHHAIUSA-N 1 1 359.474 1.834 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)CC(F)F)n[nH]2)O1 ZINC001130794012 940145110 /nfs/dbraw/zinc/14/51/10/940145110.db2.gz HSFRPFRCKYSRND-RWMBFGLXSA-N 1 1 369.416 1.545 20 30 FDEDMO C=CC(C)(C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCOC)O2)n1 ZINC001130796501 940151511 /nfs/dbraw/zinc/15/15/11/940151511.db2.gz VFFAWIRXZQOINP-UONOGXRCSA-N 1 1 365.478 1.479 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCC(F)F)n[nH]2)O1 ZINC001130792538 940170632 /nfs/dbraw/zinc/17/06/32/940170632.db2.gz JCSPXGFQVPEVOU-NWDGAFQWSA-N 1 1 357.405 1.852 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccoc3C3CC3)n[nH]2)O1 ZINC001130805167 940177691 /nfs/dbraw/zinc/17/76/91/940177691.db2.gz WDYPZNHQNZXBGZ-DZGCQCFKSA-N 1 1 369.425 1.648 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C(C)C)n[nH]3)n[nH]2)O1 ZINC001130806523 940181586 /nfs/dbraw/zinc/18/15/86/940181586.db2.gz DZERPJMUMGLAEO-SWLSCSKDSA-N 1 1 371.445 1.024 20 30 FDEDMO C[C@]1(c2ccc(-c3noc([C@H]([NH3+])CCCC#N)n3)cc2)NC(=O)NC1=O ZINC000822901347 945301654 /nfs/dbraw/zinc/30/16/54/945301654.db2.gz SMUIERLLHKGZOY-SJKOYZFVSA-N 1 1 354.370 1.485 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H]3CC=CCC3)n[nH]2)O1 ZINC001130799612 940193412 /nfs/dbraw/zinc/19/34/12/940193412.db2.gz ONGNIPBCPFCFDV-HRCADAONSA-N 1 1 357.458 1.610 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cccc(C)c3)n[nH]2)O1 ZINC001130802112 940196298 /nfs/dbraw/zinc/19/62/98/940196298.db2.gz CGIXOKMSDZPRKU-DLBZAZTESA-N 1 1 369.469 1.968 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c(C)cccc3C)n[nH]2)O1 ZINC001130811943 940206747 /nfs/dbraw/zinc/20/67/47/940206747.db2.gz SXSZFOPZBFTJRU-JKSUJKDBSA-N 1 1 367.453 1.794 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC34CCCC4)n[nH]2)O1 ZINC001130813140 940211259 /nfs/dbraw/zinc/21/12/59/940211259.db2.gz JHFPEBBLBWMFKK-SOUVJXGZSA-N 1 1 357.458 1.444 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H](C)COC)n[nH]2)O1 ZINC001130813650 940212160 /nfs/dbraw/zinc/21/21/60/940212160.db2.gz WBHIACMIKDUSMC-QLFBSQMISA-N 1 1 365.478 1.479 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c[nH]nc3C3CC3)n[nH]2)O1 ZINC001130815825 940216608 /nfs/dbraw/zinc/21/66/08/940216608.db2.gz BLOYIBWVRXGRGA-GXTWGEPZSA-N 1 1 371.445 1.331 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(OC)cc3)n[nH]2)O1 ZINC001130816169 940218186 /nfs/dbraw/zinc/21/81/86/940218186.db2.gz NHTUAPFBKFEMJS-JKSUJKDBSA-N 1 1 369.425 1.186 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H](C)n3cccc3)n[nH]2)O1 ZINC001130817178 940220933 /nfs/dbraw/zinc/22/09/33/940220933.db2.gz DKLCRANYIVVSBC-HRCADAONSA-N 1 1 370.457 1.317 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCc3ccc(C)o3)n[nH]2)O1 ZINC001130819858 940226989 /nfs/dbraw/zinc/22/69/89/940226989.db2.gz HHTGRWINWVHCAY-JKSUJKDBSA-N 1 1 371.441 1.398 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)COCCCC)C[C@H]1c1cncn1C ZINC001130943741 940353282 /nfs/dbraw/zinc/35/32/82/940353282.db2.gz HDZLAGCVGFVDCQ-HUUCEWRRSA-N 1 1 354.882 1.873 20 30 FDEDMO CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3c[nH]nc32)C[C@H]1c1cncn1C ZINC001130994390 940417041 /nfs/dbraw/zinc/41/70/41/940417041.db2.gz YAFYGMIZAMTPDG-GVDBMIGSSA-N 1 1 366.469 1.171 20 30 FDEDMO C=C(C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)c2nncn2C)C1 ZINC001131002047 940428598 /nfs/dbraw/zinc/42/85/98/940428598.db2.gz YVBWFIPYJWISAG-BZUAXINKSA-N 1 1 371.489 1.550 20 30 FDEDMO C=CC(C)(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001131003278 940429545 /nfs/dbraw/zinc/42/95/45/940429545.db2.gz BJXMRGZXENQULC-HZPDHXFCSA-N 1 1 371.489 1.235 20 30 FDEDMO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C)C[C@H]1c1cncn1C ZINC001131017795 940438517 /nfs/dbraw/zinc/43/85/17/940438517.db2.gz LYYAEPZAKUCFEI-KURKYZTESA-N 1 1 359.518 1.755 20 30 FDEDMO CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(CCC)[nH]n2)C[C@H]1c1cncn1C 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/nfs/dbraw/zinc/54/69/10/940546910.db2.gz NSIALAPAZQCWQJ-ZACQAIPSSA-N 1 1 365.474 1.485 20 30 FDEDMO C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CSCCC)C1 ZINC001131304852 940548318 /nfs/dbraw/zinc/54/83/18/940548318.db2.gz VSOVRDNSPICTGU-XHSDSOJGSA-N 1 1 367.515 1.812 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCOCC)C1 ZINC001131307339 940549049 /nfs/dbraw/zinc/54/90/49/940549049.db2.gz PNMCCHJBRNEJOM-BBWFWOEESA-N 1 1 365.474 1.485 20 30 FDEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(CC=C)CC=C)C1 ZINC001131307677 940549366 /nfs/dbraw/zinc/54/93/66/940549366.db2.gz ZOWQXCVQIZWBQX-OTWHNJEPSA-N 1 1 371.481 1.884 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(CC=C)CC=C)C1 ZINC001131307677 940549367 /nfs/dbraw/zinc/54/93/67/940549367.db2.gz ZOWQXCVQIZWBQX-OTWHNJEPSA-N 1 1 371.481 1.884 20 30 FDEDMO C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(C)(C)COC)C1 ZINC001131309990 940549750 /nfs/dbraw/zinc/54/97/50/940549750.db2.gz DUGJBLGPRNOYFS-XHSDSOJGSA-N 1 1 365.474 1.341 20 30 FDEDMO C=CC(C)(C)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CCCOC)C[C@H]32)C1 ZINC001131310412 940550263 /nfs/dbraw/zinc/55/02/63/940550263.db2.gz QRQIDLGEYIYAKI-XHSDSOJGSA-N 1 1 365.474 1.341 20 30 FDEDMO C=CCCOCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CC(C)C)C[C@H]32)C1 ZINC001131323303 940551877 /nfs/dbraw/zinc/55/18/77/940551877.db2.gz YFJGOJZLTRMGJI-BBWFWOEESA-N 1 1 365.474 1.341 20 30 FDEDMO C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2ncnn2C)CC1 ZINC001131483053 940638309 /nfs/dbraw/zinc/63/83/09/940638309.db2.gz LSDQYOQKIFBJQF-APWZRJJASA-N 1 1 359.474 1.104 20 30 FDEDMO C#C[C@H](NC(=O)C(=O)N1CCC(C[N@H+](C)CCCC)CC1)[C@@H]1CCCO1 ZINC000809313035 940815829 /nfs/dbraw/zinc/81/58/29/940815829.db2.gz QAEZNAPGJVSDTA-ROUUACIJSA-N 1 1 363.502 1.254 20 30 FDEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000810070910 940951843 /nfs/dbraw/zinc/95/18/43/940951843.db2.gz YHAJZSMSNIJGJF-IUODEOHRSA-N 1 1 362.396 1.431 20 30 FDEDMO C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=NNCCC[NH+]1CCOCC1 ZINC000811647875 941148394 /nfs/dbraw/zinc/14/83/94/941148394.db2.gz FKRHXPWRYZHGJV-OAHLLOKOSA-N 1 1 354.495 1.931 20 30 FDEDMO C#C[C@H](C)N(C)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000812033760 941179584 /nfs/dbraw/zinc/17/95/84/941179584.db2.gz DOZQKFCJGWDDNU-MAUKXSAKSA-N 1 1 356.470 1.547 20 30 FDEDMO CON(C)C(=O)C1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000812870061 941290662 /nfs/dbraw/zinc/29/06/62/941290662.db2.gz VEYSPRMKCCHMOW-AWEZNQCLSA-N 1 1 350.463 1.449 20 30 FDEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001195254591 970795573 /nfs/dbraw/zinc/79/55/73/970795573.db2.gz DTVBZMLBSXHLBL-HZPDHXFCSA-N 1 1 360.454 1.721 20 30 FDEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001195254591 970795585 /nfs/dbraw/zinc/79/55/85/970795585.db2.gz DTVBZMLBSXHLBL-HZPDHXFCSA-N 1 1 360.454 1.721 20 30 FDEDMO 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537635792 /nfs/dbraw/zinc/63/57/92/537635792.db2.gz NFDZVVBOCBXUSW-KRWDZBQOSA-N 1 1 372.469 1.491 20 30 FDEDMO O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000329599767 537639576 /nfs/dbraw/zinc/63/95/76/537639576.db2.gz WWXIJDNFPOIRDT-VPAKFMSCSA-N 1 1 360.454 1.630 20 30 FDEDMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000329924700 537646902 /nfs/dbraw/zinc/64/69/02/537646902.db2.gz HSYVZWSFNWXMIP-PMPSAXMXSA-N 1 1 367.494 1.085 20 30 FDEDMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)NC[C@]1(O)CCSC1 ZINC000330004062 537648907 /nfs/dbraw/zinc/64/89/07/537648907.db2.gz CGFSCRVJEKJROI-GOSISDBHSA-N 1 1 365.499 1.390 20 30 FDEDMO CC(=O)N1CCC[C@H](CNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000330004846 537649407 /nfs/dbraw/zinc/64/94/07/537649407.db2.gz BLMKFABJZNRHBM-DOTOQJQBSA-N 1 1 366.506 1.344 20 30 FDEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000330027847 537650415 /nfs/dbraw/zinc/65/04/15/537650415.db2.gz NQYOUKKQRWJZMF-TZMCWYRMSA-N 1 1 360.462 1.636 20 30 FDEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000330027846 537650643 /nfs/dbraw/zinc/65/06/43/537650643.db2.gz NQYOUKKQRWJZMF-OCCSQVGLSA-N 1 1 360.462 1.636 20 30 FDEDMO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCN2CCCC[C@@H]2C1 ZINC000330225663 537651698 /nfs/dbraw/zinc/65/16/98/537651698.db2.gz OHHLUMYKQFVYAS-KURKYZTESA-N 1 1 350.507 1.448 20 30 FDEDMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000330226124 537652118 /nfs/dbraw/zinc/65/21/18/537652118.db2.gz BJEQVDYLRZFEIV-KRWDZBQOSA-N 1 1 372.469 1.286 20 30 FDEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C ZINC000294068369 537652362 /nfs/dbraw/zinc/65/23/62/537652362.db2.gz VPBVQNXDMXZHIL-UHFFFAOYSA-N 1 1 363.483 1.121 20 30 FDEDMO CCC(O)(CC)CCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000331004023 537663108 /nfs/dbraw/zinc/66/31/08/537663108.db2.gz OZHPUNIRXONWHJ-UHFFFAOYSA-N 1 1 368.522 1.328 20 30 FDEDMO C=C[C@@H](CO)NC(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000290083407 537667397 /nfs/dbraw/zinc/66/73/97/537667397.db2.gz PAFQDLZEDCAEOR-HNNXBMFYSA-N 1 1 356.426 1.656 20 30 FDEDMO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ncccc2OCCCC#N)[C@H](C)C1 ZINC000285259766 537671700 /nfs/dbraw/zinc/67/17/00/537671700.db2.gz RVEXIMNEIDNNSQ-CABCVRRESA-N 1 1 361.446 1.683 20 30 FDEDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ncccc2OCCCC#N)[C@H](C)C1 ZINC000285259766 537671701 /nfs/dbraw/zinc/67/17/01/537671701.db2.gz RVEXIMNEIDNNSQ-CABCVRRESA-N 1 1 361.446 1.683 20 30 FDEDMO C=CCOc1ccccc1CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000285342069 537689031 /nfs/dbraw/zinc/68/90/31/537689031.db2.gz UWRNFLRGHBQVIR-OAHLLOKOSA-N 1 1 357.454 1.468 20 30 FDEDMO Cn1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)C2=O)n1 ZINC000292080024 537706021 /nfs/dbraw/zinc/70/60/21/537706021.db2.gz DKLDCQGZNYZVHM-CVEARBPZSA-N 1 1 366.425 1.335 20 30 FDEDMO Cn1ccc(N2CCC[C@H]([N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)C2=O)n1 ZINC000292080024 537706024 /nfs/dbraw/zinc/70/60/24/537706024.db2.gz DKLDCQGZNYZVHM-CVEARBPZSA-N 1 1 366.425 1.335 20 30 FDEDMO Cn1ccc(N2CCC[C@@H]([N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)C2=O)n1 ZINC000292080035 537706212 /nfs/dbraw/zinc/70/62/12/537706212.db2.gz DKLDCQGZNYZVHM-JKSUJKDBSA-N 1 1 366.425 1.335 20 30 FDEDMO Cn1ccc(N2CCC[C@@H]([N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)C2=O)n1 ZINC000292080035 537706215 /nfs/dbraw/zinc/70/62/15/537706215.db2.gz DKLDCQGZNYZVHM-JKSUJKDBSA-N 1 1 366.425 1.335 20 30 FDEDMO CC(C)(CC#N)CS(=O)(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000295135342 537710557 /nfs/dbraw/zinc/71/05/57/537710557.db2.gz LOMVFKCBOJADDX-QGZVFWFLSA-N 1 1 365.499 1.612 20 30 FDEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@H]2COC(=O)N2CCOCC2)cc1 ZINC000375771046 537762555 /nfs/dbraw/zinc/76/25/55/537762555.db2.gz VCFBUJQXLDZRFL-OALUTQOASA-N 1 1 373.453 1.915 20 30 FDEDMO C[C@H]([C@@H](C)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)S(C)(=O)=O ZINC000416144476 537762923 /nfs/dbraw/zinc/76/29/23/537762923.db2.gz NKUMBKZERHXQDL-HUUCEWRRSA-N 1 1 365.499 1.518 20 30 FDEDMO C=CCc1ccc(OCC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c(OC)c1 ZINC000416298914 537788460 /nfs/dbraw/zinc/78/84/60/537788460.db2.gz RITVEVYHKTULFF-CVEARBPZSA-N 1 1 362.470 1.716 20 30 FDEDMO C=CCc1ccc(OCC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c(OC)c1 ZINC000416298914 537788463 /nfs/dbraw/zinc/78/84/63/537788463.db2.gz RITVEVYHKTULFF-CVEARBPZSA-N 1 1 362.470 1.716 20 30 FDEDMO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000366710152 537829285 /nfs/dbraw/zinc/82/92/85/537829285.db2.gz ORJHJJRKCFBEBR-FUHWJXTLSA-N 1 1 351.491 1.864 20 30 FDEDMO N#Cc1cccc(-n2ccc(C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2)c1 ZINC000376129818 537843093 /nfs/dbraw/zinc/84/30/93/537843093.db2.gz GVGNPWTWOYQJQE-IAGOWNOFSA-N 1 1 351.410 1.337 20 30 FDEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000409552848 537860218 /nfs/dbraw/zinc/86/02/18/537860218.db2.gz LBTOTLJGGIJDGL-CJNGLKHVSA-N 1 1 356.467 1.744 20 30 FDEDMO COC(=O)[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@H]1c1ccccc1 ZINC000366917024 537889953 /nfs/dbraw/zinc/88/99/53/537889953.db2.gz ZBPZVCOAQXJYOC-SQGPQFPESA-N 1 1 357.454 1.929 20 30 FDEDMO COC(=O)[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@H]1c1ccccc1 ZINC000366917024 537889958 /nfs/dbraw/zinc/88/99/58/537889958.db2.gz ZBPZVCOAQXJYOC-SQGPQFPESA-N 1 1 357.454 1.929 20 30 FDEDMO C#CCC[NH+]1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000368461177 537981340 /nfs/dbraw/zinc/98/13/40/537981340.db2.gz GZWQVZXUPYZQKZ-UHFFFAOYSA-N 1 1 350.466 1.694 20 30 FDEDMO C=CCN1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1=O ZINC000368533202 537982573 /nfs/dbraw/zinc/98/25/73/537982573.db2.gz ALAJKTJNNYEXFA-HNNXBMFYSA-N 1 1 362.499 1.535 20 30 FDEDMO C=CCN1CC[C@H](N(C)C(=O)NCC[N@H+]2CCc3sccc3C2)C1=O ZINC000368533202 537982582 /nfs/dbraw/zinc/98/25/82/537982582.db2.gz ALAJKTJNNYEXFA-HNNXBMFYSA-N 1 1 362.499 1.535 20 30 FDEDMO C=CCN(C(=O)c1cn(C)c(=O)[nH]c1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372599199 537985430 /nfs/dbraw/zinc/98/54/30/537985430.db2.gz IXLOJVCKJHUOOG-INIZCTEOSA-N 1 1 368.437 1.389 20 30 FDEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368965901 537993159 /nfs/dbraw/zinc/99/31/59/537993159.db2.gz WNWAZTLCHZYDBM-ATLSCFEFSA-N 1 1 354.454 1.908 20 30 FDEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368965901 537993160 /nfs/dbraw/zinc/99/31/60/537993160.db2.gz WNWAZTLCHZYDBM-ATLSCFEFSA-N 1 1 354.454 1.908 20 30 FDEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1 ZINC000369033779 537996742 /nfs/dbraw/zinc/99/67/42/537996742.db2.gz XTWXLGSMGQMRKJ-FUHWJXTLSA-N 1 1 362.474 1.044 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CCCN(Cc2noc(CC)n2)C1 ZINC000369238139 538007081 /nfs/dbraw/zinc/00/70/81/538007081.db2.gz RFYJBYHPGZWCEY-INIZCTEOSA-N 1 1 361.490 1.729 20 30 FDEDMO C=CCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000410899916 538008818 /nfs/dbraw/zinc/00/88/18/538008818.db2.gz OFXSNOKDESFUTC-ROUUACIJSA-N 1 1 364.534 1.426 20 30 FDEDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000369961667 538082546 /nfs/dbraw/zinc/08/25/46/538082546.db2.gz LNNGSTBBZPIBOP-LZQZEXGQSA-N 1 1 356.470 1.976 20 30 FDEDMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)CC12COC2 ZINC000451140827 538197785 /nfs/dbraw/zinc/19/77/85/538197785.db2.gz UTABTLMKYIAHSX-KRWDZBQOSA-N 1 1 371.437 1.445 20 30 FDEDMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC12COC2 ZINC000451140827 538197791 /nfs/dbraw/zinc/19/77/91/538197791.db2.gz UTABTLMKYIAHSX-KRWDZBQOSA-N 1 1 371.437 1.445 20 30 FDEDMO C=CCn1cc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)nn1 ZINC000424292731 538274293 /nfs/dbraw/zinc/27/42/93/538274293.db2.gz HEWDWAWTCZPNRP-NSHDSACASA-N 1 1 352.236 1.567 20 30 FDEDMO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000422531105 538298041 /nfs/dbraw/zinc/29/80/41/538298041.db2.gz SCJYLIXVRDVNKO-KRWDZBQOSA-N 1 1 361.511 1.455 20 30 FDEDMO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)nn1-c1cccc(C#N)c1 ZINC000452386611 538388423 /nfs/dbraw/zinc/38/84/23/538388423.db2.gz XXFSMKROQGAGAE-QGZVFWFLSA-N 1 1 367.453 1.629 20 30 FDEDMO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000460052202 538459832 /nfs/dbraw/zinc/45/98/32/538459832.db2.gz BSOULKIBRPFIKG-UHFFFAOYSA-N 1 1 355.482 1.940 20 30 FDEDMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)[N@H+]1CCO ZINC000453927814 538474515 /nfs/dbraw/zinc/47/45/15/538474515.db2.gz FNXVAYAHMQGXDU-TXEJJXNPSA-N 1 1 364.833 1.064 20 30 FDEDMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)[N@@H+]1CCO ZINC000453927814 538474519 /nfs/dbraw/zinc/47/45/19/538474519.db2.gz FNXVAYAHMQGXDU-TXEJJXNPSA-N 1 1 364.833 1.064 20 30 FDEDMO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[N@@H+](CCO)C[C@H]3C)C2)n1 ZINC000457124354 538475442 /nfs/dbraw/zinc/47/54/42/538475442.db2.gz NFCIPAYDIOJRHP-AEFFLSMTSA-N 1 1 371.485 1.003 20 30 FDEDMO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[N@H+](CCO)C[C@H]3C)C2)n1 ZINC000457124354 538475443 /nfs/dbraw/zinc/47/54/43/538475443.db2.gz NFCIPAYDIOJRHP-AEFFLSMTSA-N 1 1 371.485 1.003 20 30 FDEDMO C=CCC[C@H](CO)NC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000457726029 538511424 /nfs/dbraw/zinc/51/14/24/538511424.db2.gz HIGVKWKZOIUEJI-ZWKOTPCHSA-N 1 1 360.502 1.823 20 30 FDEDMO C[NH+](C)CCOCCNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000471645042 538530007 /nfs/dbraw/zinc/53/00/07/538530007.db2.gz DFNAZNWTUHODMX-UHFFFAOYSA-N 1 1 373.501 1.354 20 30 FDEDMO COCCOc1cccc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)c1 ZINC000471805793 538541507 /nfs/dbraw/zinc/54/15/07/538541507.db2.gz SXFBPIBYQWSMEF-UHFFFAOYSA-N 1 1 369.469 1.948 20 30 FDEDMO C=CCc1cc(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)cc(OC)c1OC ZINC000486690468 538548889 /nfs/dbraw/zinc/54/88/89/538548889.db2.gz VJRURFIBZIPFGZ-QGZVFWFLSA-N 1 1 359.470 1.438 20 30 FDEDMO C[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000462130627 538600101 /nfs/dbraw/zinc/60/01/01/538600101.db2.gz OSBDSDJNLATOMX-QAPCUYQASA-N 1 1 354.454 1.427 20 30 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/nfs/dbraw/zinc/52/91/48/930529148.db2.gz BMYLWANRXYUYCG-AABGKKOBSA-N 1 1 356.466 1.747 20 30 FDEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccccc1COC)C2 ZINC001109826312 930529154 /nfs/dbraw/zinc/52/91/54/930529154.db2.gz BMYLWANRXYUYCG-AABGKKOBSA-N 1 1 356.466 1.747 20 30 FDEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](CCCC)C(N)=O)nn1 ZINC001109820904 930538837 /nfs/dbraw/zinc/53/88/37/930538837.db2.gz VYKSOPQQYZEXRM-YQFWSFKMSA-N 1 1 374.489 1.233 20 30 FDEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](CCCC)C(N)=O)nn1 ZINC001109820904 930538843 /nfs/dbraw/zinc/53/88/43/930538843.db2.gz VYKSOPQQYZEXRM-YQFWSFKMSA-N 1 1 374.489 1.233 20 30 FDEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)C[C@H](C)O3)C2 ZINC001109841153 930573732 /nfs/dbraw/zinc/57/37/32/930573732.db2.gz KBSFHKYUVBLTLA-VLQPXKRTSA-N 1 1 354.450 1.995 20 30 FDEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)C[C@H](C)O3)C2 ZINC001109841153 930573739 /nfs/dbraw/zinc/57/37/39/930573739.db2.gz KBSFHKYUVBLTLA-VLQPXKRTSA-N 1 1 354.450 1.995 20 30 FDEDMO C[NH+]1CCN(CCC(C)(C)NC(=O)NCCNc2ncccc2C#N)CC1 ZINC000771304712 930578411 /nfs/dbraw/zinc/57/84/11/930578411.db2.gz KQINTCQEOWABIY-UHFFFAOYSA-N 1 1 373.505 1.080 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(CC)nn1C)C2 ZINC001109878072 930677453 /nfs/dbraw/zinc/67/74/53/930677453.db2.gz GELSQYPHIVPNJH-OJLVUWQFSA-N 1 1 359.474 1.008 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(CC)nn1C)C2 ZINC001109878072 930677467 /nfs/dbraw/zinc/67/74/67/930677467.db2.gz GELSQYPHIVPNJH-OJLVUWQFSA-N 1 1 359.474 1.008 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)COC)C2 ZINC001109913913 930750796 /nfs/dbraw/zinc/75/07/96/930750796.db2.gz YREYGXYSBMIPDN-MHORFTMASA-N 1 1 363.502 1.581 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)COC)C2 ZINC001109913913 930750805 /nfs/dbraw/zinc/75/08/05/930750805.db2.gz YREYGXYSBMIPDN-MHORFTMASA-N 1 1 363.502 1.581 20 30 FDEDMO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncoc1-c1ccon1)C2 ZINC001109985058 930969508 /nfs/dbraw/zinc/96/95/08/930969508.db2.gz QRSMXJWENXPHGM-SNPRPXQTSA-N 1 1 358.398 1.867 20 30 FDEDMO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)C(=O)NC3=O)C2 ZINC001109998326 930996351 /nfs/dbraw/zinc/99/63/51/930996351.db2.gz SZFUJGHURZSZKI-COXVUDFISA-N 1 1 369.421 1.108 20 30 FDEDMO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)c3ccccc31)C2 ZINC001110014853 931090881 /nfs/dbraw/zinc/09/08/81/931090881.db2.gz LQPPVQKWZSHQJJ-COXVUDFISA-N 1 1 368.437 1.873 20 30 FDEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc3c[nH]nc3c1)C2 ZINC001110048076 931252496 /nfs/dbraw/zinc/25/24/96/931252496.db2.gz KURAAUUURRVKNC-NEWSRXKRSA-N 1 1 352.438 1.477 20 30 FDEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc3c[nH]nc3c1)C2 ZINC001110048076 931252502 /nfs/dbraw/zinc/25/25/02/931252502.db2.gz KURAAUUURRVKNC-NEWSRXKRSA-N 1 1 352.438 1.477 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1OCC)C2 ZINC001110051053 931265313 /nfs/dbraw/zinc/26/53/13/931265313.db2.gz LCPCELMEGGBXBZ-LMSBXDPUSA-N 1 1 369.465 1.558 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1OCC)C2 ZINC001110051053 931265317 /nfs/dbraw/zinc/26/53/17/931265317.db2.gz LCPCELMEGGBXBZ-LMSBXDPUSA-N 1 1 369.465 1.558 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccccc1F)C2 ZINC001110053883 931284189 /nfs/dbraw/zinc/28/41/89/931284189.db2.gz AFKCDCAMFMJRHN-WCZJQEMASA-N 1 1 359.445 1.780 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccccc1F)C2 ZINC001110053883 931284193 /nfs/dbraw/zinc/28/41/93/931284193.db2.gz AFKCDCAMFMJRHN-WCZJQEMASA-N 1 1 359.445 1.780 20 30 FDEDMO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccccc1C)C2 ZINC001110055016 931287892 /nfs/dbraw/zinc/28/78/92/931287892.db2.gz FROGDRHCLKPGPX-MHORFTMASA-N 1 1 371.481 1.786 20 30 FDEDMO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccccc1C)C2 ZINC001110055016 931287897 /nfs/dbraw/zinc/28/78/97/931287897.db2.gz FROGDRHCLKPGPX-MHORFTMASA-N 1 1 371.481 1.786 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3[nH]nnc3C1)C2 ZINC001112562652 931595935 /nfs/dbraw/zinc/59/59/35/931595935.db2.gz IAERGYHGZPGYCW-GLJUWKHASA-N 1 1 363.893 1.880 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3nn[nH]c3C1)C2 ZINC001112562652 931595939 /nfs/dbraw/zinc/59/59/39/931595939.db2.gz IAERGYHGZPGYCW-GLJUWKHASA-N 1 1 363.893 1.880 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)CN1CCOCC1)C2 ZINC001112579635 931742784 /nfs/dbraw/zinc/74/27/84/931742784.db2.gz ZOMZSOKKWKOFHZ-AYBZRNKSSA-N 1 1 369.937 1.926 20 30 FDEDMO C#CCN1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#CCOC)C2)CC1 ZINC001112584532 931783615 /nfs/dbraw/zinc/78/36/15/931783615.db2.gz WOLARCJZFJDAAB-UNMCSNQZSA-N 1 1 371.525 1.200 20 30 FDEDMO C#CCOc1ccc(NC(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)cc1 ZINC000746724196 932509242 /nfs/dbraw/zinc/50/92/42/932509242.db2.gz NZWACBQHHUNADQ-OAHLLOKOSA-N 1 1 359.426 1.800 20 30 FDEDMO C#CCn1ccc(CN(CCOC)C(=O)NCC[N@@H+](C)C2CCCC2)n1 ZINC000788973424 932896024 /nfs/dbraw/zinc/89/60/24/932896024.db2.gz DDZBEDDOGMSLDL-UHFFFAOYSA-N 1 1 361.490 1.549 20 30 FDEDMO C#CCn1ccc(C[N@H+](CCOC)CCC(=O)N2CCc3ccccc32)n1 ZINC000789320819 932990630 /nfs/dbraw/zinc/99/06/30/932990630.db2.gz HSZRCNSJRJCOHG-UHFFFAOYSA-N 1 1 366.465 1.944 20 30 FDEDMO C#CCn1ccc(C[N@@H+](CCOC)CCC(=O)N2CCc3ccccc32)n1 ZINC000789320819 932990632 /nfs/dbraw/zinc/99/06/32/932990632.db2.gz HSZRCNSJRJCOHG-UHFFFAOYSA-N 1 1 366.465 1.944 20 30 FDEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000746802537 932995553 /nfs/dbraw/zinc/99/55/53/932995553.db2.gz DEUROFIZOMRAAV-MRXNPFEDSA-N 1 1 370.453 1.718 20 30 FDEDMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001086584001 933418992 /nfs/dbraw/zinc/41/89/92/933418992.db2.gz YHXRLSBJODRMCC-RPVQJOFSSA-N 1 1 365.437 1.219 20 30 FDEDMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001086584001 933419001 /nfs/dbraw/zinc/41/90/01/933419001.db2.gz YHXRLSBJODRMCC-RPVQJOFSSA-N 1 1 365.437 1.219 20 30 FDEDMO C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(CCOC)nn2)C1 ZINC001086587521 933553653 /nfs/dbraw/zinc/55/36/53/933553653.db2.gz YQMFTUKPQIDPMO-ZWKOTPCHSA-N 1 1 367.453 1.146 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)CNc2cncc(C#N)n2)CC[N@H+]1C ZINC001113463181 933828670 /nfs/dbraw/zinc/82/86/70/933828670.db2.gz GFLWVGQZBCSVIB-JKSUJKDBSA-N 1 1 358.490 1.975 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)CNc2ccnc(C#N)n2)CC[N@H+]1C ZINC001113463330 933829445 /nfs/dbraw/zinc/82/94/45/933829445.db2.gz NZUVNFZKVIOYOD-LSDHHAIUSA-N 1 1 358.490 1.397 20 30 FDEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CCC(C(N)=O)CC2)C1 ZINC001086596014 933926883 /nfs/dbraw/zinc/92/68/83/933926883.db2.gz GMRUEXXOKIQVLV-GHBBCFCZSA-N 1 1 367.493 1.886 20 30 FDEDMO CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001110093075 933984310 /nfs/dbraw/zinc/98/43/10/933984310.db2.gz IWQRAEMYKAOPOE-QYZOEREBSA-N 1 1 367.493 1.922 20 30 FDEDMO CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001110093075 933984314 /nfs/dbraw/zinc/98/43/14/933984314.db2.gz IWQRAEMYKAOPOE-QYZOEREBSA-N 1 1 367.493 1.922 20 30 FDEDMO CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001110093105 933986557 /nfs/dbraw/zinc/98/65/57/933986557.db2.gz KPPZSTJFPCNYAI-SQNIBIBYSA-N 1 1 368.481 1.942 20 30 FDEDMO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nnc3ccccc3n2)C1 ZINC001086599329 934028583 /nfs/dbraw/zinc/02/85/83/934028583.db2.gz IWSMDYRBMMYACY-QFBILLFUSA-N 1 1 357.417 1.856 20 30 FDEDMO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nnc3ccccc3n2)C1 ZINC001086599329 934028589 /nfs/dbraw/zinc/02/85/89/934028589.db2.gz IWSMDYRBMMYACY-QFBILLFUSA-N 1 1 357.417 1.856 20 30 FDEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001086601304 934124653 /nfs/dbraw/zinc/12/46/53/934124653.db2.gz OQRQHYKUKKGNMZ-CEXWTWQISA-N 1 1 353.466 1.510 20 30 FDEDMO C=C(Br)CNC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000793846592 934288109 /nfs/dbraw/zinc/28/81/09/934288109.db2.gz WLIMSIIYKZGWOJ-UHFFFAOYSA-N 1 1 354.248 1.259 20 30 FDEDMO CN(C)CC#CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC001170994155 945106013 /nfs/dbraw/zinc/10/60/13/945106013.db2.gz WTVJOQKOPHAPNJ-CTNGQTDRSA-N 1 1 355.482 1.206 20 30 FDEDMO CN(C)CC#CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC001170994155 945106024 /nfs/dbraw/zinc/10/60/24/945106024.db2.gz WTVJOQKOPHAPNJ-CTNGQTDRSA-N 1 1 355.482 1.206 20 30 FDEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1nc(C)cc1C)C2 ZINC001110105468 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C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2cccc(F)c2)[C@@H](n2ccnn2)C1 ZINC001129496098 938444101 /nfs/dbraw/zinc/44/41/01/938444101.db2.gz FDYPZHCVELORDO-IPELMVKDSA-N 1 1 369.444 1.661 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001086623191 938448813 /nfs/dbraw/zinc/44/88/13/938448813.db2.gz PNCSYBBYYNKULD-DOTOQJQBSA-N 1 1 368.437 1.260 20 30 FDEDMO CC(C)OCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C#N)[C@@H](n2ccnn2)C1 ZINC001129664873 938478166 /nfs/dbraw/zinc/47/81/66/938478166.db2.gz UDHOCIRZQBNOSG-MSOLQXFVSA-N 1 1 368.441 1.116 20 30 FDEDMO C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)CCC)C[C@@H]1n1ccnn1 ZINC001129712045 938491658 /nfs/dbraw/zinc/49/16/58/938491658.db2.gz DFEUCQVOKWHREO-YUTCNCBUSA-N 1 1 370.295 1.964 20 30 FDEDMO C#CCCCCC(=O)N1C[C@@H]([NH2+]Cc2ncccc2C)[C@@H](n2ccnn2)C1 ZINC001129756791 938501703 /nfs/dbraw/zinc/50/17/03/938501703.db2.gz IGBVXBAWXFBYMY-MOPGFXCFSA-N 1 1 366.469 1.717 20 30 FDEDMO C#CCCCCC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)nc2)[C@@H](n2ccnn2)C1 ZINC001129756807 938501717 /nfs/dbraw/zinc/50/17/17/938501717.db2.gz JADHFOANTMRXIX-MSOLQXFVSA-N 1 1 367.457 1.112 20 30 FDEDMO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C2CC2)N2CCOCC2)C1 ZINC001086625047 938509199 /nfs/dbraw/zinc/50/91/99/938509199.db2.gz ICZXXWDKUGKASK-PWRODBHTSA-N 1 1 367.493 1.315 20 30 FDEDMO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C2CC2)N2CCOCC2)C1 ZINC001086625047 938509200 /nfs/dbraw/zinc/50/92/00/938509200.db2.gz ICZXXWDKUGKASK-PWRODBHTSA-N 1 1 367.493 1.315 20 30 FDEDMO C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccnc2C(N)=O)C1 ZINC001086624936 938516252 /nfs/dbraw/zinc/51/62/52/938516252.db2.gz BSGYFZBSLKOYOQ-DLBZAZTESA-N 1 1 350.422 1.564 20 30 FDEDMO C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]Cc2cnoc2C)[C@@H](n2ccnn2)C1 ZINC001129876294 938546757 /nfs/dbraw/zinc/54/67/57/938546757.db2.gz JCIIQMSDOQIMPS-CVEARBPZSA-N 1 1 358.446 1.719 20 30 FDEDMO C=C[C@@H](CC)CC(=O)N1C[C@@H]([NH2+]Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001129977899 938593469 /nfs/dbraw/zinc/59/34/69/938593469.db2.gz JIBUALDLFDAJGX-IMJJTQAJSA-N 1 1 360.487 1.879 20 30 FDEDMO C=C[C@H](CC)CC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001129978226 938594015 /nfs/dbraw/zinc/59/40/15/938594015.db2.gz WEWPNCTYKXIBKZ-NXHRZFHOSA-N 1 1 354.458 1.817 20 30 FDEDMO C=CCCC1(C(=O)N2C[C@@H]([NH2+]Cc3cc(C)no3)[C@@H](n3ccnn3)C2)CC1 ZINC001129999314 938606838 /nfs/dbraw/zinc/60/68/38/938606838.db2.gz WGTIHELPRSDAIM-SJORKVTESA-N 1 1 370.457 1.863 20 30 FDEDMO C=CCCCC(=O)N1C[C@@H]([NH2+]Cc2cc(C)ncn2)[C@@H](n2ccnn2)C1 ZINC001129986816 938609976 /nfs/dbraw/zinc/60/99/76/938609976.db2.gz NKUXMTBVKNEZAP-SJORKVTESA-N 1 1 355.446 1.275 20 30 FDEDMO C#C[C@H](CC)NC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000805348661 938721749 /nfs/dbraw/zinc/72/17/49/938721749.db2.gz WPCPELHZPWRREZ-WOJBJXKFSA-N 1 1 354.498 2.000 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCCCCOCC)C[C@@H]1n1ccnn1 ZINC001130148291 938722750 /nfs/dbraw/zinc/72/27/50/938722750.db2.gz NBZRTJAOJSLCCV-CVEARBPZSA-N 1 1 369.897 1.969 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)o2)[nH]1 ZINC001130181772 938728993 /nfs/dbraw/zinc/72/89/93/938728993.db2.gz UYTGLPXGJCWLRJ-ZFWWWQNUSA-N 1 1 357.414 1.122 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(Cl)c[nH]2)n1 ZINC001130187237 938733065 /nfs/dbraw/zinc/73/30/65/938733065.db2.gz XHLWLZIQUNVVHE-AAEUAGOBSA-N 1 1 364.837 1.364 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(Cl)c[nH]2)n[nH]1 ZINC001130187237 938733066 /nfs/dbraw/zinc/73/30/66/938733066.db2.gz XHLWLZIQUNVVHE-AAEUAGOBSA-N 1 1 364.837 1.364 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2C=CCC2)n1 ZINC001130187643 938733653 /nfs/dbraw/zinc/73/36/53/938733653.db2.gz BDZDIXCOZZSRGH-PMPSAXMXSA-N 1 1 359.474 1.815 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H]2C=CCC2)n[nH]1 ZINC001130187643 938733655 /nfs/dbraw/zinc/73/36/55/938733655.db2.gz BDZDIXCOZZSRGH-PMPSAXMXSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H](C)OC)n1 ZINC001130193120 938737754 /nfs/dbraw/zinc/73/77/54/938737754.db2.gz JMIMSDLDMFAFFN-ILXRZTDVSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H](C)OC)n[nH]1 ZINC001130193120 938737755 /nfs/dbraw/zinc/73/77/55/938737755.db2.gz JMIMSDLDMFAFFN-ILXRZTDVSA-N 1 1 365.478 1.274 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(F)=C(C)C)[nH]1 ZINC001130198382 938740179 /nfs/dbraw/zinc/74/01/79/938740179.db2.gz ISYMECJDJRTRPL-RYUDHWBXSA-N 1 1 371.844 1.899 20 30 FDEDMO C=CCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCC(=C)C)n[nH]1 ZINC001130203055 938744951 /nfs/dbraw/zinc/74/49/51/938744951.db2.gz QRWRUIXIRHOXOK-GJZGRUSLSA-N 1 1 363.462 1.052 20 30 FDEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCC(=C)C)n1 ZINC001130203055 938744952 /nfs/dbraw/zinc/74/49/52/938744952.db2.gz QRWRUIXIRHOXOK-GJZGRUSLSA-N 1 1 363.462 1.052 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC2(F)F)n1 ZINC001130207965 938747195 /nfs/dbraw/zinc/74/71/95/938747195.db2.gz YGRBRDDILUWHLE-XQQFMLRXSA-N 1 1 369.416 1.504 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC2(F)F)n[nH]1 ZINC001130207965 938747196 /nfs/dbraw/zinc/74/71/96/938747196.db2.gz YGRBRDDILUWHLE-XQQFMLRXSA-N 1 1 369.416 1.504 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)cs2)[nH]1 ZINC001130207864 938747293 /nfs/dbraw/zinc/74/72/93/938747293.db2.gz SZXZZQYULOODSA-STQMWFEESA-N 1 1 359.455 1.200 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)cs2)n[nH]1 ZINC001130207864 938747295 /nfs/dbraw/zinc/74/72/95/938747295.db2.gz SZXZZQYULOODSA-STQMWFEESA-N 1 1 359.455 1.200 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC2(F)F)n1 ZINC001130220546 938749570 /nfs/dbraw/zinc/74/95/70/938749570.db2.gz CIGYUKOMQHAGTC-AVGNSLFASA-N 1 1 369.416 1.504 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CCC2(F)F)n[nH]1 ZINC001130220546 938749571 /nfs/dbraw/zinc/74/95/71/938749571.db2.gz CIGYUKOMQHAGTC-AVGNSLFASA-N 1 1 369.416 1.504 20 30 FDEDMO CC[C@H](F)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC(C)C)n1 ZINC001130213062 938750068 /nfs/dbraw/zinc/75/00/68/938750068.db2.gz RPGGHUVNXMWNHO-KKUMJFAQSA-N 1 1 365.453 1.291 20 30 FDEDMO CC[C@H](F)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC(C)C)n[nH]1 ZINC001130213062 938750069 /nfs/dbraw/zinc/75/00/69/938750069.db2.gz RPGGHUVNXMWNHO-KKUMJFAQSA-N 1 1 365.453 1.291 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2C=CC=CC=C2)n1 ZINC001130216489 938753046 /nfs/dbraw/zinc/75/30/46/938753046.db2.gz YQOWSVZXKYOPSI-IRXDYDNUSA-N 1 1 369.469 1.758 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2C=CC=CC=C2)n[nH]1 ZINC001130216489 938753048 /nfs/dbraw/zinc/75/30/48/938753048.db2.gz YQOWSVZXKYOPSI-IRXDYDNUSA-N 1 1 369.469 1.758 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC2(C)C)n1 ZINC001130200872 938754551 /nfs/dbraw/zinc/75/45/51/938754551.db2.gz YXGJWHDBCJHSET-ZNMIVQPWSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC2(C)C)n[nH]1 ZINC001130200872 938754552 /nfs/dbraw/zinc/75/45/52/938754552.db2.gz YXGJWHDBCJHSET-ZNMIVQPWSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ccc(C)o2)n1 ZINC001130203029 938755429 /nfs/dbraw/zinc/75/54/29/938755429.db2.gz QABVRYIJUVDVIT-GJZGRUSLSA-N 1 1 359.430 1.213 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2ccc(C)o2)n[nH]1 ZINC001130203029 938755431 /nfs/dbraw/zinc/75/54/31/938755431.db2.gz QABVRYIJUVDVIT-GJZGRUSLSA-N 1 1 359.430 1.213 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CCC3(CC3)CC2)[nH]1 ZINC001130224884 938758855 /nfs/dbraw/zinc/75/88/55/938758855.db2.gz HPPCUDPBMVIFBV-HOTGVXAUSA-N 1 1 371.485 1.487 20 30 FDEDMO C=CC(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130227671 938761494 /nfs/dbraw/zinc/76/14/94/938761494.db2.gz JSLGNKUBDNFTPL-STQMWFEESA-N 1 1 353.442 1.455 20 30 FDEDMO C=CC(C)(C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1 ZINC001130227671 938761496 /nfs/dbraw/zinc/76/14/96/938761496.db2.gz JSLGNKUBDNFTPL-STQMWFEESA-N 1 1 353.442 1.455 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C3CC3)CCC2)n1 ZINC001130229705 938763047 /nfs/dbraw/zinc/76/30/47/938763047.db2.gz AQWNCLFVRACUOA-GJZGRUSLSA-N 1 1 359.474 1.649 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(C3CC3)CCC2)n[nH]1 ZINC001130229705 938763048 /nfs/dbraw/zinc/76/30/48/938763048.db2.gz AQWNCLFVRACUOA-GJZGRUSLSA-N 1 1 359.474 1.649 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCF)[nH]1 ZINC001130229781 938763330 /nfs/dbraw/zinc/76/33/30/938763330.db2.gz FQMKEKKZRQWZJR-RYUDHWBXSA-N 1 1 359.833 1.385 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C)CCCCC2)[nH]1 ZINC001130234622 938765997 /nfs/dbraw/zinc/76/59/97/938765997.db2.gz FCOBUPFGYBUDNY-GJZGRUSLSA-N 1 1 359.474 1.487 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)C(F)F)n1 ZINC001130234570 938766013 /nfs/dbraw/zinc/76/60/13/938766013.db2.gz AXDOAIZEGGUUIC-RYUDHWBXSA-N 1 1 371.432 1.750 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)(C)C(F)F)n[nH]1 ZINC001130234570 938766014 /nfs/dbraw/zinc/76/60/14/938766014.db2.gz AXDOAIZEGGUUIC-RYUDHWBXSA-N 1 1 371.432 1.750 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2Cc3ccccc32)n1 ZINC001130237714 938767118 /nfs/dbraw/zinc/76/71/18/938767118.db2.gz BBFBVGGINIIBDS-BBWFWOEESA-N 1 1 367.453 1.409 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2Cc3ccccc32)n[nH]1 ZINC001130237714 938767120 /nfs/dbraw/zinc/76/71/20/938767120.db2.gz BBFBVGGINIIBDS-BBWFWOEESA-N 1 1 367.453 1.409 20 30 FDEDMO C=CCC(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130240502 938768508 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20 30 FDEDMO C=C(Cl)CN[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1cn(C)cn1 ZINC001130719321 940022652 /nfs/dbraw/zinc/02/26/52/940022652.db2.gz JMLHBAJKBZHUHC-GOEBONIOSA-N 1 1 353.898 1.398 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C)s3)n[nH]2)O1 ZINC001130746334 940051091 /nfs/dbraw/zinc/05/10/91/940051091.db2.gz CBXIWAHVAAYJIX-QWHCGFSZSA-N 1 1 359.455 1.548 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccnc(F)c3)n[nH]2)O1 ZINC001130761598 940067213 /nfs/dbraw/zinc/06/72/13/940067213.db2.gz CGYBXXQILOPJCP-QWHCGFSZSA-N 1 1 360.393 1.265 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CCOC3)n[nH]2)O1 ZINC001130762051 940069057 /nfs/dbraw/zinc/06/90/57/940069057.db2.gz NEVYPGWHEGJTNE-QLFBSQMISA-N 1 1 363.462 1.233 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccc(C)c3)n[nH]2)O1 ZINC001130756453 940078675 /nfs/dbraw/zinc/07/86/75/940078675.db2.gz HVHYRUJMMUQABE-DLBZAZTESA-N 1 1 367.453 1.876 20 30 FDEDMO 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ZINC000634338059 558452245 /nfs/dbraw/zinc/45/22/45/558452245.db2.gz CHNKTBIPNFOEHJ-KRWDZBQOSA-N 1 1 371.489 1.387 20 30 FDEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000735603378 598621143 /nfs/dbraw/zinc/62/11/43/598621143.db2.gz ZXAPXPIWZRDDAC-HNNXBMFYSA-N 1 1 358.446 1.868 20 30 FDEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000735603378 598621145 /nfs/dbraw/zinc/62/11/45/598621145.db2.gz ZXAPXPIWZRDDAC-HNNXBMFYSA-N 1 1 358.446 1.868 20 30 FDEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000272611796 674461176 /nfs/dbraw/zinc/46/11/76/674461176.db2.gz KNORWFHHTHWTTP-WMLDXEAASA-N 1 1 363.483 1.317 20 30 FDEDMO C=CCS(=O)(=O)CCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000272883954 674484589 /nfs/dbraw/zinc/48/45/89/674484589.db2.gz VFXDKSIXXUBRGS-MRXNPFEDSA-N 1 1 353.488 1.059 20 30 FDEDMO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCCS1(=O)=O ZINC000273398183 674532904 /nfs/dbraw/zinc/53/29/04/674532904.db2.gz 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N#Cc1ncccc1S(=O)(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000276982510 674824153 /nfs/dbraw/zinc/82/41/53/674824153.db2.gz HFYYXTONEXIOMB-UHFFFAOYSA-N 1 1 356.451 1.850 20 30 FDEDMO N#Cc1ncccc1S(=O)(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000276982510 674824156 /nfs/dbraw/zinc/82/41/56/674824156.db2.gz HFYYXTONEXIOMB-UHFFFAOYSA-N 1 1 356.451 1.850 20 30 FDEDMO N#CCCNC(=O)CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000027375144 670771639 /nfs/dbraw/zinc/77/16/39/670771639.db2.gz DCSLCXNOCITCCK-UHFFFAOYSA-N 1 1 354.376 1.853 20 30 FDEDMO C#CCOc1ccc(Br)cc1C[NH2+][C@H](C)CS(C)(=O)=O ZINC000078640491 671442450 /nfs/dbraw/zinc/44/24/50/671442450.db2.gz GWPRLFSKPQADAA-LLVKDONJSA-N 1 1 360.273 1.984 20 30 FDEDMO C[C@H]1CN=C(N2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)S1 ZINC000079496638 671449238 /nfs/dbraw/zinc/44/92/38/671449238.db2.gz BTPAZGOREQHWMM-AWEZNQCLSA-N 1 1 357.483 1.996 20 30 FDEDMO CCN(CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)C(C)C ZINC000089120781 671491919 /nfs/dbraw/zinc/49/19/19/671491919.db2.gz 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361.515 1.259 20 30 FDEDMO C#CCC[NH+]1CCN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000265914796 673016855 /nfs/dbraw/zinc/01/68/55/673016855.db2.gz OLMCOQVEQQAXMN-UHFFFAOYSA-N 1 1 370.421 1.393 20 30 FDEDMO C=C(C)CS(=O)(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000280522464 675431234 /nfs/dbraw/zinc/43/12/34/675431234.db2.gz FVSSHONXYSZNQB-UHFFFAOYSA-N 1 1 351.472 1.070 20 30 FDEDMO CC(C)NS(=O)(=O)N1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000284388787 675703927 /nfs/dbraw/zinc/70/39/27/675703927.db2.gz VMZPXHZNFVZBBD-UHFFFAOYSA-N 1 1 366.487 1.188 20 30 FDEDMO N#Cc1ccc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1F ZINC000293172934 676336372 /nfs/dbraw/zinc/33/63/72/676336372.db2.gz CRPLKPSOTPRTBF-AWEZNQCLSA-N 1 1 355.435 1.213 20 30 FDEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)cc1OC(F)F ZINC000293294569 676343299 /nfs/dbraw/zinc/34/32/99/676343299.db2.gz HBOPUMYADJNUNG-UHFFFAOYSA-N 1 1 357.332 1.437 20 30 FDEDMO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1F ZINC000293323737 676345271 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COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2CN(CC(C)C)CCO2)c1 ZINC000303791125 676542947 /nfs/dbraw/zinc/54/29/47/676542947.db2.gz XAFMAVXATCUIIH-HNNXBMFYSA-N 1 1 350.463 1.787 20 30 FDEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC1([S@](C)=O)CCC1 ZINC000328620267 676600039 /nfs/dbraw/zinc/60/00/39/676600039.db2.gz WSBWUXYTTRIPKT-SHACYNPGSA-N 1 1 357.520 1.387 20 30 FDEDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000328664957 676601221 /nfs/dbraw/zinc/60/12/21/676601221.db2.gz YVYKIQZDLGAPKP-HUUCEWRRSA-N 1 1 360.524 1.034 20 30 FDEDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000328756711 676605606 /nfs/dbraw/zinc/60/56/06/676605606.db2.gz UKKFYPFDGGHGBV-WBVHZDCISA-N 1 1 365.499 1.509 20 30 FDEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000328756711 676605607 /nfs/dbraw/zinc/60/56/07/676605607.db2.gz UKKFYPFDGGHGBV-WBVHZDCISA-N 1 1 365.499 1.509 20 30 FDEDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)NC3CCSCC3)CC2)CC1 ZINC000328805241 676607600 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1 1 369.416 1.360 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc[nH]c2CC)n1 ZINC001130207966 938747258 /nfs/dbraw/zinc/74/72/58/938747258.db2.gz YJZHEPIPQGRKQN-ZFWWWQNUSA-N 1 1 358.446 1.273 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc[nH]c2CC)n[nH]1 ZINC001130207966 938747260 /nfs/dbraw/zinc/74/72/60/938747260.db2.gz YJZHEPIPQGRKQN-ZFWWWQNUSA-N 1 1 358.446 1.273 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(C)(C)O)n1 ZINC001130209865 938747901 /nfs/dbraw/zinc/74/79/01/938747901.db2.gz OMEVETNDVRPZLR-KBPBESRZSA-N 1 1 365.478 1.010 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(C)(C)O)n[nH]1 ZINC001130209865 938747902 /nfs/dbraw/zinc/74/79/02/938747902.db2.gz OMEVETNDVRPZLR-KBPBESRZSA-N 1 1 365.478 1.010 20 30 FDEDMO C#CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)CC)n[nH]1 ZINC001130210196 938748003 /nfs/dbraw/zinc/74/80/03/938748003.db2.gz ZESQJVCIASRVCV-JYJNAYRXSA-N 1 1 361.490 1.733 20 30 FDEDMO C#CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)CC)n1 ZINC001130210196 938748004 /nfs/dbraw/zinc/74/80/04/938748004.db2.gz ZESQJVCIASRVCV-JYJNAYRXSA-N 1 1 361.490 1.733 20 30 FDEDMO CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC(C)(C)C)n1 ZINC001130213078 938750017 /nfs/dbraw/zinc/75/00/17/938750017.db2.gz SLZCTSFQTHPZDU-GJZGRUSLSA-N 1 1 361.490 1.733 20 30 FDEDMO CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC(C)(C)C)n[nH]1 ZINC001130213078 938750018 /nfs/dbraw/zinc/75/00/18/938750018.db2.gz SLZCTSFQTHPZDU-GJZGRUSLSA-N 1 1 361.490 1.733 20 30 FDEDMO C#CCC1(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCC)n[nH]2)CCC1 ZINC001130215707 938751966 /nfs/dbraw/zinc/75/19/66/938751966.db2.gz CQWIFXLAVDWVFN-GJZGRUSLSA-N 1 1 359.474 1.487 20 30 FDEDMO C#CCC1(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCC)n2)CCC1 ZINC001130215707 938751968 /nfs/dbraw/zinc/75/19/68/938751968.db2.gz CQWIFXLAVDWVFN-GJZGRUSLSA-N 1 1 359.474 1.487 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC(F)(F)C2)n1 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SLRWUIQRHOXTKT-ILXRZTDVSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CCCC1(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)CC1 ZINC001130235203 938766580 /nfs/dbraw/zinc/76/65/80/938766580.db2.gz YDNBMPDEBVNLAY-KBPBESRZSA-N 1 1 365.453 1.599 20 30 FDEDMO C=CCCC1(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCF)n2)CC1 ZINC001130235203 938766581 /nfs/dbraw/zinc/76/65/81/938766581.db2.gz YDNBMPDEBVNLAY-KBPBESRZSA-N 1 1 365.453 1.599 20 30 FDEDMO C=C1CCC(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)CC1 ZINC001130235193 938766584 /nfs/dbraw/zinc/76/65/84/938766584.db2.gz XNWSYVZKPCEHTJ-GJZGRUSLSA-N 1 1 365.453 1.599 20 30 FDEDMO C=C1CCC(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCF)n2)CC1 ZINC001130235193 938766585 /nfs/dbraw/zinc/76/65/85/938766585.db2.gz XNWSYVZKPCEHTJ-GJZGRUSLSA-N 1 1 365.453 1.599 20 30 FDEDMO C=CCC(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CC)[nH]1 ZINC001130240332 938767482 /nfs/dbraw/zinc/76/74/82/938767482.db2.gz OFNFCAFZDMOJDC-GJZGRUSLSA-N 1 1 359.474 1.509 20 30 FDEDMO 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C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)CCOC)C[C@H]1c1cn(C)cn1 ZINC001130728433 940017009 /nfs/dbraw/zinc/01/70/09/940017009.db2.gz FFCFAKVCVKBNQJ-DUVNUKRYSA-N 1 1 354.882 1.729 20 30 FDEDMO C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC(C)C)n[nH]2)O1 ZINC001130755077 940059389 /nfs/dbraw/zinc/05/93/89/940059389.db2.gz YPOMXQPXHOZZBK-LSDHHAIUSA-N 1 1 365.478 1.479 20 30 FDEDMO C=CCCO[C@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC=C)O2)n1 ZINC001130762045 940068857 /nfs/dbraw/zinc/06/88/57/940068857.db2.gz MZJMRUJBWKLDPI-QLFBSQMISA-N 1 1 363.462 1.398 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCCCOC)n[nH]2)O1 ZINC001130762620 940070890 /nfs/dbraw/zinc/07/08/90/940070890.db2.gz ZNHGDBJFRCHYRM-UONOGXRCSA-N 1 1 351.451 1.233 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccccc3O)n[nH]2)O1 ZINC001130757786 940082497 /nfs/dbraw/zinc/08/24/97/940082497.db2.gz GQIRXDNQPFPFKU-SWLSCSKDSA-N 1 1 357.414 1.436 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccc(C)n3)n[nH]2)O1 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1 1 350.462 1.755 20 30 FDEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cn4nc(C)cc4[nH]c3=O)[C@@H]2C1 ZINC001189420377 966966508 /nfs/dbraw/zinc/96/65/08/966966508.db2.gz YEOFTSAFLIRDCF-YQQAZPJKSA-N 1 1 369.469 1.832 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(CNC(C)=O)o3)[C@@H]2C1 ZINC001189439803 966990688 /nfs/dbraw/zinc/99/06/88/966990688.db2.gz WBEIFWZKAZMTFS-DOTOQJQBSA-N 1 1 361.442 1.265 20 30 FDEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ncccn3)[C@@H]2C1 ZINC001189514632 967023085 /nfs/dbraw/zinc/02/30/85/967023085.db2.gz LUUKLDZFMFDOGN-YESZJQIVSA-N 1 1 371.485 1.436 20 30 FDEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ncccn3)[C@@H]2C1 ZINC001189514632 967023093 /nfs/dbraw/zinc/02/30/93/967023093.db2.gz LUUKLDZFMFDOGN-YESZJQIVSA-N 1 1 371.485 1.436 20 30 FDEDMO COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc4nccnc43)[C@@H]2C1 ZINC001189522913 967031650 /nfs/dbraw/zinc/03/16/50/967031650.db2.gz RAYRBCBPPAKRPW-MAUKXSAKSA-N 1 1 350.422 1.426 20 30 FDEDMO 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ZINC001189749878 967222212 /nfs/dbraw/zinc/22/22/12/967222212.db2.gz YKLFEHFAAUQANS-GOEBONIOSA-N 1 1 371.466 1.125 20 30 FDEDMO COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4nccs4)c3)[C@@H]2C1 ZINC001189749878 967222223 /nfs/dbraw/zinc/22/22/23/967222223.db2.gz YKLFEHFAAUQANS-GOEBONIOSA-N 1 1 371.466 1.125 20 30 FDEDMO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCC(=O)NCCC#N)CC1 ZINC000775301632 967223492 /nfs/dbraw/zinc/22/34/92/967223492.db2.gz JIKLHMJGGYWHLB-OAHLLOKOSA-N 1 1 361.465 1.648 20 30 FDEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccnc4nc(C)nn43)[C@@H]2C1 ZINC001189770749 967253676 /nfs/dbraw/zinc/25/36/76/967253676.db2.gz CDZMCERRMDRBGT-JLJPHGGASA-N 1 1 354.458 1.934 20 30 FDEDMO C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)n1 ZINC000852413352 967283686 /nfs/dbraw/zinc/28/36/86/967283686.db2.gz UFLFJGYFONJRAC-QGZVFWFLSA-N 1 1 361.490 1.547 20 30 FDEDMO C#CCC[NH+]1CCN(CC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000776594552 967291268 /nfs/dbraw/zinc/29/12/68/967291268.db2.gz 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371.489 1.198 20 30 FDEDMO Cc1onc(CC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)c1C#N ZINC000498513802 885131903 /nfs/dbraw/zinc/13/19/03/885131903.db2.gz KKVZUCNLNVTPDY-UHFFFAOYSA-N 1 1 354.410 1.911 20 30 FDEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2)C[C@@H]1O ZINC001083967046 912907438 /nfs/dbraw/zinc/90/74/38/912907438.db2.gz SVJBOLZJMVCACI-MOPGFXCFSA-N 1 1 365.433 1.377 20 30 FDEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@@H]1O ZINC001083967046 912907441 /nfs/dbraw/zinc/90/74/41/912907441.db2.gz SVJBOLZJMVCACI-MOPGFXCFSA-N 1 1 365.433 1.377 20 30 FDEDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[C@@H]1C ZINC000498548538 885239808 /nfs/dbraw/zinc/23/98/08/885239808.db2.gz AMPUODJSOGRYDQ-KBPBESRZSA-N 1 1 352.442 1.881 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(OC)c3)C[C@@H]2O)cn1 ZINC001083970032 912919208 /nfs/dbraw/zinc/91/92/08/912919208.db2.gz BKVGUQRIANINCQ-MOPGFXCFSA-N 1 1 351.406 1.047 20 30 FDEDMO 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ZINC000569906199 549088333 /nfs/dbraw/zinc/08/83/33/549088333.db2.gz GDOYGHVWRKBIFG-UHFFFAOYSA-N 1 1 362.405 1.700 20 30 FDEDMO Cn1c(NCC2([N@@H+](C)Cc3ccccc3)CCC2)c(C#N)c(=O)n(C)c1=O ZINC000570249342 549211506 /nfs/dbraw/zinc/21/15/06/549211506.db2.gz JZNDFLRTNLVPSO-UHFFFAOYSA-N 1 1 367.453 1.422 20 30 FDEDMO C=CCN(CCOC)C(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000570542754 549318165 /nfs/dbraw/zinc/31/81/65/549318165.db2.gz SXKMIYRCGINGRZ-FUHWJXTLSA-N 1 1 359.470 1.427 20 30 FDEDMO CN1CC[NH+](CC2(C)CCN(Cc3cnc4c(C#N)cnn4c3)CC2)CC1 ZINC000570844208 549434510 /nfs/dbraw/zinc/43/45/10/549434510.db2.gz ZTOXLHXZYVHQBI-UHFFFAOYSA-N 1 1 367.501 1.450 20 30 FDEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](CCC)[C@H]1CC(=O)N(C)C1=O ZINC000571265758 549583602 /nfs/dbraw/zinc/58/36/02/549583602.db2.gz OFVQCTGJWBYLIX-IRXDYDNUSA-N 1 1 360.454 1.624 20 30 FDEDMO C=CCn1c(CCCC)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000571365245 549617770 /nfs/dbraw/zinc/61/77/70/549617770.db2.gz KLLLIQKDVAJPQF-UHFFFAOYSA-N 1 1 374.533 1.941 20 30 FDEDMO C=CCn1c(CCCC)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000571365245 549617774 /nfs/dbraw/zinc/61/77/74/549617774.db2.gz KLLLIQKDVAJPQF-UHFFFAOYSA-N 1 1 374.533 1.941 20 30 FDEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCc3ccc(C#N)cc32)C1 ZINC000573270843 550101108 /nfs/dbraw/zinc/10/11/08/550101108.db2.gz LFSHRGBQVCSAJW-GOSISDBHSA-N 1 1 356.470 1.394 20 30 FDEDMO CC[C@H](CNC(=O)C(=O)NCCCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000574349001 550299899 /nfs/dbraw/zinc/29/98/99/550299899.db2.gz GFYUCRGEAHQARN-GOSISDBHSA-N 1 1 356.470 1.750 20 30 FDEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1cccc(CN2CCOCC2)c1 ZINC000576098219 550510160 /nfs/dbraw/zinc/51/01/60/550510160.db2.gz DNUFOUMOHINMKU-UHFFFAOYSA-N 1 1 368.485 1.760 20 30 FDEDMO N#Cc1cccc(NC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000576752555 550582210 /nfs/dbraw/zinc/58/22/10/550582210.db2.gz CFVSMQVKYVQTBA-DLBZAZTESA-N 1 1 351.410 1.710 20 30 FDEDMO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000577602694 550674011 /nfs/dbraw/zinc/67/40/11/550674011.db2.gz JZYYXBBOJFJLAA-QWFCFKBJSA-N 1 1 358.530 1.939 20 30 FDEDMO C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000577826176 550698341 /nfs/dbraw/zinc/69/83/41/550698341.db2.gz CZOJDYMOZWMXAY-OAHLLOKOSA-N 1 1 358.494 1.735 20 30 FDEDMO Cc1[nH+]cc2n1C[C@H](C(=O)N1CCN(c3cccc(C#N)n3)CC1)CC2 ZINC000578634355 550785311 /nfs/dbraw/zinc/78/53/11/550785311.db2.gz UQEIJRVQNCGQIC-OAHLLOKOSA-N 1 1 350.426 1.369 20 30 FDEDMO Cc1ccnc([C@@H]2CC[N@H+](CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C2)c1 ZINC000578784481 550801903 /nfs/dbraw/zinc/80/19/03/550801903.db2.gz MHMSQOCLKNNZPV-QUCCMNQESA-N 1 1 369.513 1.872 20 30 FDEDMO C=CCCn1cc(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)nn1 ZINC000579463629 550875785 /nfs/dbraw/zinc/87/57/85/550875785.db2.gz CLXRHLPGSYISJK-MRXNPFEDSA-N 1 1 374.514 1.634 20 30 FDEDMO C[C@@H]1CN(CCC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CCCO1 ZINC000582541731 551238746 /nfs/dbraw/zinc/23/87/46/551238746.db2.gz GQYSHSBXGBMYAT-IEBWSBKVSA-N 1 1 361.486 1.583 20 30 FDEDMO COC1CC[NH+](C2(CNC[C@@H](O)CN(C)CCC#N)CCCC2)CC1 ZINC000582900334 551278710 /nfs/dbraw/zinc/27/87/10/551278710.db2.gz LWGBMVROZAHOLF-QGZVFWFLSA-N 1 1 352.523 1.206 20 30 FDEDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2ccc(CC#N)cc2)C1 ZINC000582904069 551279342 /nfs/dbraw/zinc/27/93/42/551279342.db2.gz XZTGPFQIKWNJPQ-SFHVURJKSA-N 1 1 356.470 1.605 20 30 FDEDMO COC(=O)CC1CC[NH+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000583097888 551303201 /nfs/dbraw/zinc/30/32/01/551303201.db2.gz GYHPNBMDDULWBG-MRXNPFEDSA-N 1 1 355.394 1.465 20 30 FDEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCOc3ccc(F)cc32)nc1 ZINC000583138613 551309221 /nfs/dbraw/zinc/30/92/21/551309221.db2.gz BLYNJZZGJJDYJU-OAHLLOKOSA-N 1 1 361.398 1.979 20 30 FDEDMO C=CCn1c([C@@H]2COCCO2)nnc1N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000583675611 551385137 /nfs/dbraw/zinc/38/51/37/551385137.db2.gz GMCIQWOFJIJHAY-TWMKSMIVSA-N 1 1 361.490 1.719 20 30 FDEDMO CC(C)C[N@H+]1CCC[C@@H](CNCCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000583807422 551404659 /nfs/dbraw/zinc/40/46/59/551404659.db2.gz LFJSVJWVKQQDSQ-KRWDZBQOSA-N 1 1 364.515 1.685 20 30 FDEDMO CC(C)CN1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000583807422 551404660 /nfs/dbraw/zinc/40/46/60/551404660.db2.gz LFJSVJWVKQQDSQ-KRWDZBQOSA-N 1 1 364.515 1.685 20 30 FDEDMO CC(C)C[N@H+]1CCC[C@H](CNCCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000583807423 551404872 /nfs/dbraw/zinc/40/48/72/551404872.db2.gz LFJSVJWVKQQDSQ-QGZVFWFLSA-N 1 1 364.515 1.685 20 30 FDEDMO CC(C)CN1CCC[C@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000583807423 551404874 /nfs/dbraw/zinc/40/48/74/551404874.db2.gz LFJSVJWVKQQDSQ-QGZVFWFLSA-N 1 1 364.515 1.685 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1CC ZINC000584090162 551445363 /nfs/dbraw/zinc/44/53/63/551445363.db2.gz GHDSGXVNSNRKMP-JZXOWHBKSA-N 1 1 374.485 1.534 20 30 FDEDMO C=CCCCCCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000584182777 551460364 /nfs/dbraw/zinc/46/03/64/551460364.db2.gz KXHPDMYHFJHJAL-MRXNPFEDSA-N 1 1 351.491 1.561 20 30 FDEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000585725577 551588398 /nfs/dbraw/zinc/58/83/98/551588398.db2.gz XFDMWLLTDZWYDG-RBUKOAKNSA-N 1 1 366.465 1.816 20 30 FDEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000585777734 551598181 /nfs/dbraw/zinc/59/81/81/551598181.db2.gz STINBBOGXFDZGS-CQSZACIVSA-N 1 1 374.460 1.940 20 30 FDEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 ZINC000585800667 551606873 /nfs/dbraw/zinc/60/68/73/551606873.db2.gz DVZVCDMZDFDRRP-VBSBHUPXSA-N 1 1 360.454 1.550 20 30 FDEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@](O)(C(=O)N3CCCC3)C2)cc1 ZINC000585803955 551608131 /nfs/dbraw/zinc/60/81/31/551608131.db2.gz SWRCFNDCJDYVSD-HXUWFJFHSA-N 1 1 370.453 1.336 20 30 FDEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)C1 ZINC000587664365 551633411 /nfs/dbraw/zinc/63/34/11/551633411.db2.gz HSGFONXYIROPEK-NVXWUHKLSA-N 1 1 356.470 1.830 20 30 FDEDMO CC(C)(CO)[NH+]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000587985961 551637831 /nfs/dbraw/zinc/63/78/31/551637831.db2.gz WQXOLKLCNVQGKJ-MRXNPFEDSA-N 1 1 374.460 1.439 20 30 FDEDMO CC(C)(CO)[NH+]1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000587985960 551637993 /nfs/dbraw/zinc/63/79/93/551637993.db2.gz WQXOLKLCNVQGKJ-INIZCTEOSA-N 1 1 374.460 1.439 20 30 FDEDMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC(=O)NCC#N ZINC000588077619 551644695 /nfs/dbraw/zinc/64/46/95/551644695.db2.gz RTCPVZHUEGZGMK-OAHLLOKOSA-N 1 1 358.442 1.309 20 30 FDEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000588973261 551702058 /nfs/dbraw/zinc/70/20/58/551702058.db2.gz BUXQKFIWMJSPLZ-CQSZACIVSA-N 1 1 351.447 1.991 20 30 FDEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000588973261 551702059 /nfs/dbraw/zinc/70/20/59/551702059.db2.gz BUXQKFIWMJSPLZ-CQSZACIVSA-N 1 1 351.447 1.991 20 30 FDEDMO COCC[N@@H+](C)CCOc1cccc(CNC(=O)c2cccc(C#N)n2)c1 ZINC000589383397 551726371 /nfs/dbraw/zinc/72/63/71/551726371.db2.gz VNYYBJPNSFETIP-UHFFFAOYSA-N 1 1 368.437 1.840 20 30 FDEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NC1CCN(c3ccc(C#N)cn3)CC1)C2 ZINC000589379803 551726421 /nfs/dbraw/zinc/72/64/21/551726421.db2.gz AAORCDHBULTHOT-MRXNPFEDSA-N 1 1 364.453 1.806 20 30 FDEDMO COc1cc(CNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccc1C#N ZINC000589712032 551744334 /nfs/dbraw/zinc/74/43/34/551744334.db2.gz SXNJKNXHJCQYLX-SFHVURJKSA-N 1 1 371.485 1.488 20 30 FDEDMO C[N@@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000589928860 551752184 /nfs/dbraw/zinc/75/21/84/551752184.db2.gz HDPMIWHYEKRPDH-FZMZJTMJSA-N 1 1 370.272 1.645 20 30 FDEDMO COc1cc(C#N)ccc1OCC(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000590556171 551791941 /nfs/dbraw/zinc/79/19/41/551791941.db2.gz YYMOGXLOCDNZQA-HNNXBMFYSA-N 1 1 373.453 1.657 20 30 FDEDMO CC(C)(CO)[NH+]1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000590695498 551806252 /nfs/dbraw/zinc/80/62/52/551806252.db2.gz CACQQNBMNXTCRB-UHFFFAOYSA-N 1 1 366.259 1.849 20 30 FDEDMO N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000590768050 551815086 /nfs/dbraw/zinc/81/50/86/551815086.db2.gz VFVJDWCMPTWFGW-RBUKOAKNSA-N 1 1 356.470 1.490 20 30 FDEDMO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1C ZINC000591021607 551836682 /nfs/dbraw/zinc/83/66/82/551836682.db2.gz ALGADMWRARDFOK-UHFFFAOYSA-N 1 1 372.429 1.342 20 30 FDEDMO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c1C ZINC000591021607 551836683 /nfs/dbraw/zinc/83/66/83/551836683.db2.gz ALGADMWRARDFOK-UHFFFAOYSA-N 1 1 372.429 1.342 20 30 FDEDMO C=CCNC(=O)c1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000591497269 551875361 /nfs/dbraw/zinc/87/53/61/551875361.db2.gz DEHMSZWOSRQYQO-SFHVURJKSA-N 1 1 372.469 1.931 20 30 FDEDMO Cn1nc2c(c1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)CCCC2 ZINC000591768752 551907323 /nfs/dbraw/zinc/90/73/23/551907323.db2.gz LQYJRBLYJQSSSW-UHFFFAOYSA-N 1 1 358.467 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FDEDMO CC(C)[C@@H]1CN(C(=O)NCC(=O)NCC#N)CC[N@H+]1Cc1ccccc1 ZINC000602312491 553561674 /nfs/dbraw/zinc/56/16/74/553561674.db2.gz LIJPYTPYBMHFHN-KRWDZBQOSA-N 1 1 357.458 1.178 20 30 FDEDMO C=CCN(CC=C)[C@H](CNC(=O)C1([S@](C)=O)CC[NH2+]CC1)C(C)C ZINC000602471799 553588349 /nfs/dbraw/zinc/58/83/49/553588349.db2.gz IVQYVCVWUAWPAX-GYCJOSAFSA-N 1 1 355.548 1.302 20 30 FDEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000602815161 553643618 /nfs/dbraw/zinc/64/36/18/553643618.db2.gz CRYJLDWLQRDQKC-HNNXBMFYSA-N 1 1 355.442 1.760 20 30 FDEDMO C[C@]1(CO)C[C@@H](O)C[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000602905442 553665982 /nfs/dbraw/zinc/66/59/82/553665982.db2.gz GEKOIGYPDHGXKI-NVXWUHKLSA-N 1 1 351.834 1.404 20 30 FDEDMO C[C@]1(CO)C[C@@H](O)C[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000602905442 553665983 /nfs/dbraw/zinc/66/59/83/553665983.db2.gz GEKOIGYPDHGXKI-NVXWUHKLSA-N 1 1 351.834 1.404 20 30 FDEDMO CC[C@@H](C)[C@@H](NC(=O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1)C(=O)OC ZINC000602913013 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1 354.454 1.493 20 30 FDEDMO CN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033289273 882235335 /nfs/dbraw/zinc/23/53/35/882235335.db2.gz BYTPOGWQUSKLHH-LWYYNNOASA-N 1 1 369.465 1.642 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083853831 882388948 /nfs/dbraw/zinc/38/89/48/882388948.db2.gz QQQLSIIUGVDMKK-RDGPPVDQSA-N 1 1 355.438 1.201 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083853831 882388966 /nfs/dbraw/zinc/38/89/66/882388966.db2.gz QQQLSIIUGVDMKK-RDGPPVDQSA-N 1 1 355.438 1.201 20 30 FDEDMO C#CCN(C(=O)NC1CCN(Cc2ccccn2)CC1)C1CC[NH+](C)CC1 ZINC000914018830 870369006 /nfs/dbraw/zinc/36/90/06/870369006.db2.gz XUBHZVUPDFTQSK-UHFFFAOYSA-N 1 1 369.513 1.785 20 30 FDEDMO C=CC[N@H+](CC(=O)Nc1ccncc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000492934208 870553046 /nfs/dbraw/zinc/55/30/46/870553046.db2.gz BBGNRNZNPFOOFP-HNNXBMFYSA-N 1 1 363.425 1.667 20 30 FDEDMO C=CC[N@@H+](CC(=O)Nc1ccncc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000492934208 870553054 /nfs/dbraw/zinc/55/30/54/870553054.db2.gz BBGNRNZNPFOOFP-HNNXBMFYSA-N 1 1 363.425 1.667 20 30 FDEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cnc(C)cn2)[C@@H](n2ccnn2)C1 ZINC001128652397 882507124 /nfs/dbraw/zinc/50/71/24/882507124.db2.gz LQNNXQMOPOHQBQ-OIISXLGYSA-N 1 1 355.446 1.387 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC001033431076 882511626 /nfs/dbraw/zinc/51/16/26/882511626.db2.gz APTVWQWCFQMTNW-KURKYZTESA-N 1 1 357.454 1.409 20 30 FDEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2c(C)noc2C)[C@@H](n2ccnn2)C1 ZINC001128657557 882538570 /nfs/dbraw/zinc/53/85/70/882538570.db2.gz VXTJPHPVQHCERW-MAZHCROVSA-N 1 1 358.446 1.893 20 30 FDEDMO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@]3(C)C2)CC[N@H+]1C ZINC000992809288 872432511 /nfs/dbraw/zinc/43/25/11/872432511.db2.gz OINJYVJZLXSKPJ-GIQLZXEWSA-N 1 1 369.469 1.147 20 30 FDEDMO C[C@@H]1OCCO[C@@H]1C(=O)NC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC001003057542 872452302 /nfs/dbraw/zinc/45/23/02/872452302.db2.gz ATSLAVXZXZHIQK-UGSOOPFHSA-N 1 1 361.417 1.582 20 30 FDEDMO C=CCC[C@@H](C)[N@@H+]1CCn2ncc(CNC(=O)[C@H]3OCCO[C@H]3C)c2C1 ZINC001128387256 872509825 /nfs/dbraw/zinc/50/98/25/872509825.db2.gz RNYXHDNCGAGHSC-VKJFTORMSA-N 1 1 362.474 1.474 20 30 FDEDMO C=CCC[C@@H](C)[N@H+]1CCn2ncc(CNC(=O)[C@H]3OCCO[C@H]3C)c2C1 ZINC001128387256 872509831 /nfs/dbraw/zinc/50/98/31/872509831.db2.gz RNYXHDNCGAGHSC-VKJFTORMSA-N 1 1 362.474 1.474 20 30 FDEDMO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)C1 ZINC000992894800 873106064 /nfs/dbraw/zinc/10/60/64/873106064.db2.gz GVQQIMKSSBDKEM-CNNODRBYSA-N 1 1 371.525 1.829 20 30 FDEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1 ZINC000992904786 873128775 /nfs/dbraw/zinc/12/87/75/873128775.db2.gz ANZWKPTZNCLDAL-LQWHRVPQSA-N 1 1 357.498 1.580 20 30 FDEDMO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)c3ncc(C#N)cc3F)C2)CC[N@H+]1C ZINC001061281325 873731265 /nfs/dbraw/zinc/73/12/65/873731265.db2.gz VOAKSGFCOILXMO-FVQBIDKESA-N 1 1 359.449 1.860 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=C(C)OCCC1 ZINC001003675573 874009651 /nfs/dbraw/zinc/00/96/51/874009651.db2.gz XEEAMXBPGVKMNI-YSHGAJCASA-N 1 1 371.481 1.417 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=C(C)OCCC1 ZINC001003675573 874009669 /nfs/dbraw/zinc/00/96/69/874009669.db2.gz XEEAMXBPGVKMNI-YSHGAJCASA-N 1 1 371.481 1.417 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CC3(C)CC3)C[C@@]2(C)C1 ZINC000993058620 874013801 /nfs/dbraw/zinc/01/38/01/874013801.db2.gz BLXTYXOYJCAMAB-WWMYMODYSA-N 1 1 357.498 1.581 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CC3(C)CC3)C[C@@]2(C)C1 ZINC000993058620 874013815 /nfs/dbraw/zinc/01/38/15/874013815.db2.gz BLXTYXOYJCAMAB-WWMYMODYSA-N 1 1 357.498 1.581 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)c3ccccn3)C[C@@]2(C)C1 ZINC000993062748 874051866 /nfs/dbraw/zinc/05/18/66/874051866.db2.gz SIZWQDKLTWQCBB-MMOPVJDHSA-N 1 1 366.465 1.100 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)c3ccccn3)C[C@@]2(C)C1 ZINC000993062748 874051878 /nfs/dbraw/zinc/05/18/78/874051878.db2.gz SIZWQDKLTWQCBB-MMOPVJDHSA-N 1 1 366.465 1.100 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)c3cccn3C)C[C@@]2(C)C1 ZINC000993066256 874077000 /nfs/dbraw/zinc/07/70/00/874077000.db2.gz AEOMLRKFZXTDIN-MMOPVJDHSA-N 1 1 368.481 1.043 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)c3cccn3C)C[C@@]2(C)C1 ZINC000993066256 874077021 /nfs/dbraw/zinc/07/70/21/874077021.db2.gz AEOMLRKFZXTDIN-MMOPVJDHSA-N 1 1 368.481 1.043 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C3=COCCC3)C[C@@]2(C)C1 ZINC000993071793 874144610 /nfs/dbraw/zinc/14/46/10/874144610.db2.gz ZTULUYLQBFMPDI-LQWHRVPQSA-N 1 1 371.481 1.085 20 30 FDEDMO 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C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4c(C)nn(C)c4s3)[C@H]2C1 ZINC001083156591 912285336 /nfs/dbraw/zinc/28/53/36/912285336.db2.gz CGMKNJVQHKDLTO-LSDHHAIUSA-N 1 1 358.467 1.492 20 30 FDEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2OC)CC1 ZINC000946580381 878371394 /nfs/dbraw/zinc/37/13/94/878371394.db2.gz VEZYRBLBILAQLE-FGTMMUONSA-N 1 1 363.502 1.559 20 30 FDEDMO C=CCOCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001108067932 878807442 /nfs/dbraw/zinc/80/74/42/878807442.db2.gz IKRHWXPDPCTMOO-QRQLOZEOSA-N 1 1 352.475 1.355 20 30 FDEDMO C=CCOCC[N@H+]1CCO[C@](C)(CNC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001108067932 878807448 /nfs/dbraw/zinc/80/74/48/878807448.db2.gz IKRHWXPDPCTMOO-QRQLOZEOSA-N 1 1 352.475 1.355 20 30 FDEDMO C[C@H]1CC(=O)N[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001033092104 878873331 /nfs/dbraw/zinc/87/33/31/878873331.db2.gz OVCGVTXSXHCEAI-ZTFGCOKTSA-N 1 1 354.454 1.506 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2c2ncc(C#N)cc2F)CC[N@H+]1C 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C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CC=C)CCC2)n1 ZINC001130239975 938756649 /nfs/dbraw/zinc/75/66/49/938756649.db2.gz GDHFOUPLEJOMPQ-GJZGRUSLSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(CC=C)CCC2)n[nH]1 ZINC001130239975 938756651 /nfs/dbraw/zinc/75/66/51/938756651.db2.gz GDHFOUPLEJOMPQ-GJZGRUSLSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2occ3c2CCC3)n1 ZINC001130224988 938759214 /nfs/dbraw/zinc/75/92/14/938759214.db2.gz LUZBYOSNRMKXNV-GJZGRUSLSA-N 1 1 371.441 1.465 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2occ3c2CCC3)n[nH]1 ZINC001130224988 938759215 /nfs/dbraw/zinc/75/92/15/938759215.db2.gz LUZBYOSNRMKXNV-GJZGRUSLSA-N 1 1 371.441 1.465 20 30 FDEDMO C#CCCCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#C)[nH]1 ZINC001130225120 938759542 /nfs/dbraw/zinc/75/95/42/938759542.db2.gz TXJZXECEIZFAGG-HOTGVXAUSA-N 1 1 357.458 1.100 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C/C=C(/C)C=C)n1 ZINC001130227483 938760989 /nfs/dbraw/zinc/76/09/89/938760989.db2.gz AIGSEGGLRQNCTK-BKZJWICZSA-N 1 1 357.458 1.429 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C/C=C(/C)C=C)n[nH]1 ZINC001130227483 938760991 /nfs/dbraw/zinc/76/09/91/938760991.db2.gz AIGSEGGLRQNCTK-BKZJWICZSA-N 1 1 357.458 1.429 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](F)CC)n1 ZINC001130227577 938761327 /nfs/dbraw/zinc/76/13/27/938761327.db2.gz DZXRDLQCVFZCRZ-MJBXVCDLSA-N 1 1 353.442 1.597 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](F)CC)n[nH]1 ZINC001130227577 938761328 /nfs/dbraw/zinc/76/13/28/938761328.db2.gz DZXRDLQCVFZCRZ-MJBXVCDLSA-N 1 1 353.442 1.597 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C(F)(F)F)n1 ZINC001130227784 938761824 /nfs/dbraw/zinc/76/18/24/938761824.db2.gz OXFAKTHSTPYVNF-DCAQKATOSA-N 1 1 361.368 1.267 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)C(F)(F)F)n[nH]1 ZINC001130227784 938761826 /nfs/dbraw/zinc/76/18/26/938761826.db2.gz OXFAKTHSTPYVNF-DCAQKATOSA-N 1 1 361.368 1.267 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(CCC)CCC)[nH]1 ZINC001130232875 938765114 /nfs/dbraw/zinc/76/51/14/938765114.db2.gz RKELPEREFBBROW-HOTGVXAUSA-N 1 1 361.490 1.733 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccnc2C)n1 ZINC001130232376 938765222 /nfs/dbraw/zinc/76/52/22/938765222.db2.gz FPLIZHQNDXFFEM-HOTGVXAUSA-N 1 1 370.457 1.476 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccnc2C)n[nH]1 ZINC001130232376 938765223 /nfs/dbraw/zinc/76/52/23/938765223.db2.gz FPLIZHQNDXFFEM-HOTGVXAUSA-N 1 1 370.457 1.476 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C2CCCC2)n1 ZINC001130246082 938771519 /nfs/dbraw/zinc/77/15/19/938771519.db2.gz CYAJTMIZOYHYPG-KBMXLJTQSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)C2CCCC2)n[nH]1 ZINC001130246082 938771520 /nfs/dbraw/zinc/77/15/20/938771520.db2.gz CYAJTMIZOYHYPG-KBMXLJTQSA-N 1 1 361.490 1.895 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(CC)CC)[nH]1 ZINC001130251471 938774750 /nfs/dbraw/zinc/77/47/50/938774750.db2.gz XCQCSIVEKVVRPC-GJZGRUSLSA-N 1 1 361.490 1.733 20 30 FDEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001130422862 938843798 /nfs/dbraw/zinc/84/37/98/938843798.db2.gz BTHUUBTZQFJAAK-IIAWOOMASA-N 1 1 359.474 1.164 20 30 FDEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001130422862 938843802 /nfs/dbraw/zinc/84/38/02/938843802.db2.gz BTHUUBTZQFJAAK-IIAWOOMASA-N 1 1 359.474 1.164 20 30 FDEDMO C#CCN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1c1cn(C)cn1 ZINC001130635159 939937487 /nfs/dbraw/zinc/93/74/87/939937487.db2.gz LEWBCICOXOJBAP-PKOBYXMFSA-N 1 1 371.529 1.449 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130733972 940034346 /nfs/dbraw/zinc/03/43/46/940034346.db2.gz DNDGTCHAWAPDIN-DFQSSKMNSA-N 1 1 371.529 1.448 20 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C#CCN(Cc1ccccc1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000806832784 940084794 /nfs/dbraw/zinc/08/47/94/940084794.db2.gz RXRMPESCTRQBEX-SFHVURJKSA-N 1 1 356.470 1.419 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC(F)(F)F)n[nH]2)O1 ZINC001130765607 940096867 /nfs/dbraw/zinc/09/68/67/940096867.db2.gz ZNNCNSJTHQHNRB-WDEREUQCSA-N 1 1 361.368 1.759 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCCOCC)n[nH]2)O1 ZINC001130767423 940100786 /nfs/dbraw/zinc/10/07/86/940100786.db2.gz IGACONJBQLJFKC-LSDHHAIUSA-N 1 1 365.478 1.623 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc[nH]c3C)n[nH]2)O1 ZINC001130772563 940113089 /nfs/dbraw/zinc/11/30/89/940113089.db2.gz RVRNAXAQOSQQSJ-DZGCQCFKSA-N 1 1 358.446 1.757 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)CSC)n[nH]2)O1 ZINC001130772670 940113352 /nfs/dbraw/zinc/11/33/52/940113352.db2.gz XDWFFNRYJTYLFR-MELADBBJSA-N 1 1 367.519 1.806 20 30 FDEDMO C#CCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCC)O2)n1 ZINC001130785493 940119956 /nfs/dbraw/zinc/11/99/56/940119956.db2.gz QIVNGNFTUPXPSK-SOUVJXGZSA-N 1 1 363.462 1.069 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](OCC)C3CC3)n[nH]2)O1 ZINC001130785584 940120842 /nfs/dbraw/zinc/12/08/42/940120842.db2.gz WDFLMQQVEAAHII-LZWOXQAQSA-N 1 1 363.462 1.232 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C=Cc3ccc[nH]3)n[nH]2)O1 ZINC001130776434 940125070 /nfs/dbraw/zinc/12/50/70/940125070.db2.gz FDXOHZGZBJMGTE-AUPUMLSVSA-N 1 1 370.457 1.848 20 30 FDEDMO C=C[C@@](C)(O)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCC)O2)n1 ZINC001130778125 940130938 /nfs/dbraw/zinc/13/09/38/940130938.db2.gz GTYZWQLYLUUVJS-PMUMKWKESA-N 1 1 365.478 1.358 20 30 FDEDMO C=C[C@@](C)(O)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC(C)C)O2)n1 ZINC001130778108 940131057 /nfs/dbraw/zinc/13/10/57/940131057.db2.gz GHVBMGDVTWJYQU-PMUMKWKESA-N 1 1 365.478 1.214 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3[nH]ccc3C)n[nH]2)O1 ZINC001130780995 940135894 /nfs/dbraw/zinc/13/58/94/940135894.db2.gz JWUUTHHVKUGAKN-UONOGXRCSA-N 1 1 356.430 1.204 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c[nH]nc3C)n[nH]2)O1 ZINC001130794143 940145505 /nfs/dbraw/zinc/14/55/05/940145505.db2.gz NOXDHAWLUOWQAJ-GXTWGEPZSA-N 1 1 359.434 1.152 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccnnc3C)n[nH]2)O1 ZINC001130790008 940161256 /nfs/dbraw/zinc/16/12/56/940161256.db2.gz CLWGQQLFSQUATG-DZGCQCFKSA-N 1 1 371.445 1.219 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C)c(C)n3)n[nH]2)O1 ZINC001130792508 940171099 /nfs/dbraw/zinc/17/10/99/940171099.db2.gz IAHYLEJYUJHRMG-GOEBONIOSA-N 1 1 370.457 1.742 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(C)(C)C(=C)C)n[nH]2)O1 ZINC001130799467 940191972 /nfs/dbraw/zinc/19/19/72/940191972.db2.gz IGERKDRRANNJML-LSDHHAIUSA-N 1 1 359.474 1.856 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(C)(C)C3CC3)n[nH]2)O1 ZINC001130799733 940193938 /nfs/dbraw/zinc/19/39/38/940193938.db2.gz VNMYQOUINPJPKO-LSDHHAIUSA-N 1 1 359.474 1.690 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@]3(C)CCCOC3)n[nH]2)O1 ZINC001130816149 940218391 /nfs/dbraw/zinc/21/83/91/940218391.db2.gz MOQKYKXVSHUBBX-IYOUNJFTSA-N 1 1 363.462 1.233 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccc(OC)c3)n[nH]2)O1 ZINC001130817561 940222921 /nfs/dbraw/zinc/22/29/21/940222921.db2.gz SNBUYXVCPWCBOI-JKSUJKDBSA-N 1 1 369.425 1.186 20 30 FDEDMO C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000807336710 940324551 /nfs/dbraw/zinc/32/45/51/940324551.db2.gz JTHYBCBAIFGLSJ-KRWDZBQOSA-N 1 1 373.416 1.957 20 30 FDEDMO C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2coc(C)n2)C1 ZINC001130948748 940347461 /nfs/dbraw/zinc/34/74/61/940347461.db2.gz WBVDCAOQCCEIMD-HZPDHXFCSA-N 1 1 359.430 1.003 20 30 FDEDMO C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2nc(C)oc2C)C1 ZINC001130971732 940381087 /nfs/dbraw/zinc/38/10/87/940381087.db2.gz ZNIMXINMGULXMB-SJLPKXTDSA-N 1 1 369.469 1.913 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)COC(C)(C)C)C[C@H]1c1cncn1C ZINC001130966862 940389389 /nfs/dbraw/zinc/38/93/89/940389389.db2.gz HUVSTPSUYSQVFP-ZIAGYGMSSA-N 1 1 354.882 1.872 20 30 FDEDMO C[C@@H]1[C@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000807544495 940397023 /nfs/dbraw/zinc/39/70/23/940397023.db2.gz UHKLQHOUZLSIAO-RHSMWYFYSA-N 1 1 366.425 1.124 20 30 FDEDMO C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC001130977829 940409066 /nfs/dbraw/zinc/40/90/66/940409066.db2.gz BUBZXYDWPJNTDQ-QZTJIDSGSA-N 1 1 368.485 1.350 20 30 FDEDMO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1c1cncn1C ZINC001131005916 940432023 /nfs/dbraw/zinc/43/20/23/940432023.db2.gz BVJBBSQOMTVXKG-IAGOWNOFSA-N 1 1 356.474 1.626 20 30 FDEDMO CC#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001131051303 940475707 /nfs/dbraw/zinc/47/57/07/940475707.db2.gz HLIDATMZOFZYNS-HZPDHXFCSA-N 1 1 369.473 1.124 20 30 FDEDMO C=CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)c2nnc(C)[nH]2)C1 ZINC001131064375 940486418 /nfs/dbraw/zinc/48/64/18/940486418.db2.gz HEROCFBJVVKWIV-FVQBIDKESA-N 1 1 371.489 1.848 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cnc[nH]2)C[C@H]1c1cncn1C ZINC001131089471 940494760 /nfs/dbraw/zinc/49/47/60/940494760.db2.gz IWVWRDTZXLHHDN-DJIMGWMZSA-N 1 1 356.474 1.482 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](C)CCOC)C[C@H]1c1cncn1C ZINC001131125377 940507607 /nfs/dbraw/zinc/50/76/07/940507607.db2.gz BVFZBOIGIDELTI-BPLDGKMQSA-N 1 1 354.882 1.729 20 30 FDEDMO COc1ccc(CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000747446956 940510904 /nfs/dbraw/zinc/51/09/04/940510904.db2.gz OFACAKXILYCMEV-OAQYLSRUSA-N 1 1 365.433 1.820 20 30 FDEDMO C=CCO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccon2)C1 ZINC001131132956 940512705 /nfs/dbraw/zinc/51/27/05/940512705.db2.gz VJZRTQQMYQDSRU-FVQBIDKESA-N 1 1 359.430 1.083 20 30 FDEDMO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)c2ccc(C=NOC)cc2)CC1 ZINC000808119408 940519819 /nfs/dbraw/zinc/51/98/19/940519819.db2.gz NFYGMUQPOSPWMM-UHFFFAOYSA-N 1 1 374.485 1.730 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cncnc2)C1 ZINC001131303884 940547725 /nfs/dbraw/zinc/54/77/25/940547725.db2.gz GVPMEUPZJTUVPN-BBWFWOEESA-N 1 1 371.441 1.162 20 30 FDEDMO C=CC(C)(C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCOC)C[C@H]32)C1 ZINC001131309900 940549522 /nfs/dbraw/zinc/54/95/22/940549522.db2.gz ALHBJBQJJLTODQ-XHSDSOJGSA-N 1 1 365.474 1.341 20 30 FDEDMO C=CC(C)(C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CCOC)C[C@H]32)C1 ZINC001131309900 940549523 /nfs/dbraw/zinc/54/95/23/940549523.db2.gz ALHBJBQJJLTODQ-XHSDSOJGSA-N 1 1 365.474 1.341 20 30 FDEDMO C=CCCOCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CCC=C)C[C@H]32)C1 ZINC001131322884 940551842 /nfs/dbraw/zinc/55/18/42/940551842.db2.gz FZORNEUCMSBPDF-BBWFWOEESA-N 1 1 363.458 1.261 20 30 FDEDMO C=CCCOCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC001131323278 940551951 /nfs/dbraw/zinc/55/19/51/940551951.db2.gz WSEPEAKEYSMDKN-ZACQAIPSSA-N 1 1 363.458 1.095 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC001131313124 940552722 /nfs/dbraw/zinc/55/27/22/940552722.db2.gz HYGMTTJPVXAUQU-OAGGEKHMSA-N 1 1 365.449 1.808 20 30 FDEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC(C)=C(C)C)C1 ZINC001131313280 940552805 /nfs/dbraw/zinc/55/28/05/940552805.db2.gz MRCWCPZQHSDNSD-KSZLIROESA-N 1 1 359.470 1.862 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC(C)=C(C)C)C1 ZINC001131313280 940552806 /nfs/dbraw/zinc/55/28/06/940552806.db2.gz MRCWCPZQHSDNSD-KSZLIROESA-N 1 1 359.470 1.862 20 30 FDEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2(CCC=C)CC2)C1 ZINC001131313477 940553215 /nfs/dbraw/zinc/55/32/15/940553215.db2.gz UBSAUEIVYJEKSZ-KURKYZTESA-N 1 1 371.481 1.862 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2(CCC=C)CC2)C1 ZINC001131313477 940553217 /nfs/dbraw/zinc/55/32/17/940553217.db2.gz UBSAUEIVYJEKSZ-KURKYZTESA-N 1 1 371.481 1.862 20 30 FDEDMO C=CCC[C@@H](C)[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001131383648 940559441 /nfs/dbraw/zinc/55/94/41/940559441.db2.gz STINIWYOOLKWNC-TVFCKZIOSA-N 1 1 363.502 1.559 20 30 FDEDMO C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC001131495763 940647233 /nfs/dbraw/zinc/64/72/33/940647233.db2.gz DCRIGYIZMNAFOG-DBVUQKKJSA-N 1 1 370.497 1.839 20 30 FDEDMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O ZINC001090501861 940822470 /nfs/dbraw/zinc/82/24/70/940822470.db2.gz FYZIQIXEXYRHFP-QZTJIDSGSA-N 1 1 371.485 1.272 20 30 FDEDMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O ZINC001090502367 940841965 /nfs/dbraw/zinc/84/19/65/940841965.db2.gz ONIAVGTTXDNWMB-IAGOWNOFSA-N 1 1 371.485 1.272 20 30 FDEDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C[C@H]1C ZINC000809503997 940846120 /nfs/dbraw/zinc/84/61/20/940846120.db2.gz CUGSKNNUSBGMCW-PBHICJAKSA-N 1 1 372.469 1.514 20 30 FDEDMO COc1ccc(CNC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)cc1C#N ZINC000809503950 940846248 /nfs/dbraw/zinc/84/62/48/940846248.db2.gz MULONYHHJORMMH-UHFFFAOYSA-N 1 1 358.442 1.126 20 30 FDEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000809867300 940913360 /nfs/dbraw/zinc/91/33/60/940913360.db2.gz PFFPRQBQZJJTOS-INIZCTEOSA-N 1 1 360.433 1.550 20 30 FDEDMO CC(C)[C@@H](C#N)N1CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000809966435 940927050 /nfs/dbraw/zinc/92/70/50/940927050.db2.gz BIKLQEGKMQSFEM-CRAIPNDOSA-N 1 1 354.495 1.428 20 30 FDEDMO Cc1nsc(N2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)c1C#N ZINC000811785542 941165190 /nfs/dbraw/zinc/16/51/90/941165190.db2.gz BBRPSNSVKOYGCU-INIZCTEOSA-N 1 1 372.450 1.777 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](CCO)CC[C@H]2CCOC2)CC1 ZINC001098482663 941183538 /nfs/dbraw/zinc/18/35/38/941183538.db2.gz UUBNNKWAYMENGJ-UHOSZYNNSA-N 1 1 366.502 1.289 20 30 FDEDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000812196431 941186829 /nfs/dbraw/zinc/18/68/29/941186829.db2.gz QARYPMRUJDBCPH-RRFJBIMHSA-N 1 1 367.494 1.773 20 30 FDEDMO CC(C)[N@H+](CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCOC1 ZINC000812292937 941193520 /nfs/dbraw/zinc/19/35/20/941193520.db2.gz OGHAKSXSOJOMOT-KRWDZBQOSA-N 1 1 356.426 1.779 20 30 FDEDMO CC(C)[N@@H+](CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCOC1 ZINC000812292937 941193521 /nfs/dbraw/zinc/19/35/21/941193521.db2.gz OGHAKSXSOJOMOT-KRWDZBQOSA-N 1 1 356.426 1.779 20 30 FDEDMO COc1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)cc1C ZINC000812393929 941211072 /nfs/dbraw/zinc/21/10/72/941211072.db2.gz LWEISBRTIUZNGV-UHFFFAOYSA-N 1 1 350.488 1.524 20 30 FDEDMO CON(C)C(=O)C1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000812871509 941290588 /nfs/dbraw/zinc/29/05/88/941290588.db2.gz UMSKWYRIFQUEIF-UHFFFAOYSA-N 1 1 355.398 1.840 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC001134063605 941541747 /nfs/dbraw/zinc/54/17/47/941541747.db2.gz RBMLOUPQKWDPGD-BMFZPTHFSA-N 1 1 356.430 1.020 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3cc[nH]c3c1)C2 ZINC001110701170 970820181 /nfs/dbraw/zinc/82/01/81/970820181.db2.gz AGNHZPPQKHPVER-FOZNTRSISA-N 1 1 365.437 1.036 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3cc[nH]c3c1)C2 ZINC001110701170 970820187 /nfs/dbraw/zinc/82/01/87/970820187.db2.gz AGNHZPPQKHPVER-FOZNTRSISA-N 1 1 365.437 1.036 20 30 FDEDMO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC000814673902 941700050 /nfs/dbraw/zinc/70/00/50/941700050.db2.gz QXCAQICGYKRFCP-HZPDHXFCSA-N 1 1 364.490 1.985 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC1(F)F)C2 ZINC001110702937 970830497 /nfs/dbraw/zinc/83/04/97/970830497.db2.gz QUPRBIONSOZYGZ-QXSJWSMHSA-N 1 1 367.440 1.954 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC1(F)F)C2 ZINC001110702937 970830508 /nfs/dbraw/zinc/83/05/08/970830508.db2.gz QUPRBIONSOZYGZ-QXSJWSMHSA-N 1 1 367.440 1.954 20 30 FDEDMO CCNc1nc(N=NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)nc(NCC)n1 ZINC000814726186 941709579 /nfs/dbraw/zinc/70/95/79/941709579.db2.gz ZMLIMFVQDOYVRD-OKILXGFUSA-N 1 1 362.482 1.776 20 30 FDEDMO Fc1ccc2c(c1)OCC2=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000814728034 941710039 /nfs/dbraw/zinc/71/00/39/941710039.db2.gz JETWYLANVRNLHE-UHFFFAOYSA-N 1 1 352.435 1.109 20 30 FDEDMO C#CC[N@H+](C)CCCNc1c(C(=O)OC)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000814930160 941740618 /nfs/dbraw/zinc/74/06/18/941740618.db2.gz ZROPCEWALSAWHX-UHFFFAOYSA-N 1 1 350.331 1.657 20 30 FDEDMO C#CCNC(=O)CC[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1 ZINC000815050886 941760178 /nfs/dbraw/zinc/76/01/78/941760178.db2.gz KERMODOWIGMLTN-KRWDZBQOSA-N 1 1 357.454 1.046 20 30 FDEDMO C#CCNC(=O)CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000815071325 941773366 /nfs/dbraw/zinc/77/33/66/941773366.db2.gz HWWHRCUGOQQERI-QGZVFWFLSA-N 1 1 355.438 1.554 20 30 FDEDMO C#CCNC(=O)CC[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000815073380 941773762 /nfs/dbraw/zinc/77/37/62/941773762.db2.gz KWZFMSIYOSYCAE-MRXNPFEDSA-N 1 1 353.422 1.767 20 30 FDEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(C)c(Br)c1 ZINC000815082492 941776894 /nfs/dbraw/zinc/77/68/94/941776894.db2.gz UUQSDWRBHSLNST-UHFFFAOYSA-N 1 1 359.289 1.991 20 30 FDEDMO CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@@H+](CCOCCC#N)C2)CC1 ZINC000815118024 941780538 /nfs/dbraw/zinc/78/05/38/941780538.db2.gz WURFMZCVJLBQOH-INIZCTEOSA-N 1 1 352.479 1.544 20 30 FDEDMO C#CCNC(=O)CC[N@@H+](Cc1ccccc1)C[C@H](O)c1cnn(CC)c1 ZINC000815100303 941783804 /nfs/dbraw/zinc/78/38/04/941783804.db2.gz DPWBVOFJNYKGPH-IBGZPJMESA-N 1 1 354.454 1.578 20 30 FDEDMO C#CCCCCCC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001195307030 970839741 /nfs/dbraw/zinc/83/97/41/970839741.db2.gz KRJOXXIDJHAWOY-HUUCEWRRSA-N 1 1 364.408 1.700 20 30 FDEDMO CCc1ccc(C#CC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000815243219 941814878 /nfs/dbraw/zinc/81/48/78/941814878.db2.gz CPIUZVJRQNUSCF-LJQANCHMSA-N 1 1 355.482 1.659 20 30 FDEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOCc2ccc(OC)cc2)C[C@H]1O ZINC001195312519 970845134 /nfs/dbraw/zinc/84/51/34/970845134.db2.gz OXUOEWQZNBTRIA-QZTJIDSGSA-N 1 1 362.470 1.585 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]Cc1c(Br)cnn1C ZINC001135142532 941927788 /nfs/dbraw/zinc/92/77/88/941927788.db2.gz ZJFPJGLQAFXGLU-FZMZJTMJSA-N 1 1 371.279 1.370 20 30 FDEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1nn(C2CCCCC2)cc1C ZINC000815860415 941996398 /nfs/dbraw/zinc/99/63/98/941996398.db2.gz KOMGEMSUXYAUTD-UHFFFAOYSA-N 1 1 359.474 1.707 20 30 FDEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000815861623 941996927 /nfs/dbraw/zinc/99/69/27/941996927.db2.gz QVQMPLWBRRMKOA-MRXNPFEDSA-N 1 1 354.454 1.073 20 30 FDEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000815860925 941997497 /nfs/dbraw/zinc/99/74/97/941997497.db2.gz IMQXUHNKBROGHP-UHFFFAOYSA-N 1 1 374.444 1.491 20 30 FDEDMO C[C@H](C#N)C[N@@H+](C)C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000816492949 942223140 /nfs/dbraw/zinc/22/31/40/942223140.db2.gz KAMGDJDHAXGTTL-HUUCEWRRSA-N 1 1 352.479 1.841 20 30 FDEDMO N#CCOc1ccccc1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000856082109 970891791 /nfs/dbraw/zinc/89/17/91/970891791.db2.gz IYELJXDKRLRIDX-QZTJIDSGSA-N 1 1 355.438 1.962 20 30 FDEDMO COCC[N@H+]1CCO[C@@H]2CN(C(=O)c3cc(C)cc(C#N)c3)CC[C@@H]2C1 ZINC001195411272 970914255 /nfs/dbraw/zinc/91/42/55/970914255.db2.gz HADXSZCBDUWGHI-IEBWSBKVSA-N 1 1 357.454 1.676 20 30 FDEDMO C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000817279676 942655567 /nfs/dbraw/zinc/65/55/67/942655567.db2.gz SHJFIWXWGWNCJE-IRXDYDNUSA-N 1 1 363.502 1.206 20 30 FDEDMO CN(C[C@H]1CCC[N@H+]1C)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000817373468 942727142 /nfs/dbraw/zinc/72/71/42/942727142.db2.gz OBGXZXOOOHSKAD-VQIMIIECSA-N 1 1 355.442 1.309 20 30 FDEDMO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O)C(F)(F)F ZINC001195388107 970929566 /nfs/dbraw/zinc/92/95/66/970929566.db2.gz 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FDEDMO C#C[C@H](NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C)c1ccc(Cl)cc1F ZINC000820755950 944183117 /nfs/dbraw/zinc/18/31/17/944183117.db2.gz VAZGNVYYTWDOOS-LRDDRELGSA-N 1 1 353.825 1.861 20 30 FDEDMO C#C[C@H](NC(=O)N1CC[N@H+](CCO)C[C@@H]1C)c1ccc(Cl)cc1F ZINC000820755950 944183120 /nfs/dbraw/zinc/18/31/20/944183120.db2.gz VAZGNVYYTWDOOS-LRDDRELGSA-N 1 1 353.825 1.861 20 30 FDEDMO C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110104181 944587724 /nfs/dbraw/zinc/58/77/24/944587724.db2.gz JJQISZLPJUBBFV-SQNIBIBYSA-N 1 1 371.485 1.114 20 30 FDEDMO C=CCCCC(=O)N[C@@H]1C[N@H+](CCOc2ccc(OCC)cc2)C[C@H]1O ZINC001195726060 971156722 /nfs/dbraw/zinc/15/67/22/971156722.db2.gz RNHVSDJGJSOSQL-RTBURBONSA-N 1 1 362.470 1.982 20 30 FDEDMO C=CCCCC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(OCC)cc2)C[C@H]1O ZINC001195726060 971156727 /nfs/dbraw/zinc/15/67/27/971156727.db2.gz RNHVSDJGJSOSQL-RTBURBONSA-N 1 1 362.470 1.982 20 30 FDEDMO C=CCCS(=O)(=O)N1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856542143 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1 1 369.469 1.376 20 30 FDEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@](O)(Cc2nc(CC)no2)C1 ZINC000856672904 971298492 /nfs/dbraw/zinc/29/84/92/971298492.db2.gz URZQNKZAGPJYJF-KXBFYZLASA-N 1 1 362.474 1.591 20 30 FDEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@](O)(Cc2nc(CC)no2)C1 ZINC000856672904 971298498 /nfs/dbraw/zinc/29/84/98/971298498.db2.gz URZQNKZAGPJYJF-KXBFYZLASA-N 1 1 362.474 1.591 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](CCOC[C@@H]2CCCO2)CC1 ZINC001195885948 971306392 /nfs/dbraw/zinc/30/63/92/971306392.db2.gz IBLFBKJSIKYDGW-OTWHNJEPSA-N 1 1 366.502 1.698 20 30 FDEDMO C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573294438 946987728 /nfs/dbraw/zinc/98/77/28/946987728.db2.gz BIQFUWARTVCLGQ-MRXNPFEDSA-N 1 1 363.853 1.779 20 30 FDEDMO C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573294438 946987739 /nfs/dbraw/zinc/98/77/39/946987739.db2.gz BIQFUWARTVCLGQ-MRXNPFEDSA-N 1 1 363.853 1.779 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+]([C@H](C)C(=O)N(CC)CC)CC1 ZINC001195886156 971307753 /nfs/dbraw/zinc/30/77/53/971307753.db2.gz QCCGJUGKXUFCQI-KURKYZTESA-N 1 1 365.518 1.759 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+]([C@H](C)C(=O)N(CC)CC)CC1 ZINC001195886156 971307757 /nfs/dbraw/zinc/30/77/57/971307757.db2.gz QCCGJUGKXUFCQI-KURKYZTESA-N 1 1 365.518 1.759 20 30 FDEDMO C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573294915 947001351 /nfs/dbraw/zinc/00/13/51/947001351.db2.gz JKAZSTXFGCDCGE-INIZCTEOSA-N 1 1 363.853 1.779 20 30 FDEDMO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573295086 947005142 /nfs/dbraw/zinc/00/51/42/947005142.db2.gz LYZAXDUBIHZVLY-CYBMUJFWSA-N 1 1 363.853 1.922 20 30 FDEDMO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573295086 947005157 /nfs/dbraw/zinc/00/51/57/947005157.db2.gz LYZAXDUBIHZVLY-CYBMUJFWSA-N 1 1 363.853 1.922 20 30 FDEDMO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001573566011 947020557 /nfs/dbraw/zinc/02/05/57/947020557.db2.gz ZAXKPXFSQONYCF-CWRNSKLLSA-N 1 1 365.441 1.592 20 30 FDEDMO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001573566011 947020567 /nfs/dbraw/zinc/02/05/67/947020567.db2.gz ZAXKPXFSQONYCF-CWRNSKLLSA-N 1 1 365.441 1.592 20 30 FDEDMO C[C@H](C#N)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001573567200 947039203 /nfs/dbraw/zinc/03/92/03/947039203.db2.gz KAOYJDSQMVWIAB-AUUYWEPGSA-N 1 1 365.441 1.451 20 30 FDEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001195932134 971328831 /nfs/dbraw/zinc/32/88/31/971328831.db2.gz HAXHFVZCWLNEKY-GGPKGHCWSA-N 1 1 357.454 1.853 20 30 FDEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001195932134 971328841 /nfs/dbraw/zinc/32/88/41/971328841.db2.gz HAXHFVZCWLNEKY-GGPKGHCWSA-N 1 1 357.454 1.853 20 30 FDEDMO C[C@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573575405 947138623 /nfs/dbraw/zinc/13/86/23/947138623.db2.gz YOUXCTGLFTYCMM-FCLXEUQJSA-N 1 1 365.441 1.638 20 30 FDEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCO1 ZINC001573305561 947157096 /nfs/dbraw/zinc/15/70/96/947157096.db2.gz DCDFYALAQQNETE-UGSOOPFHSA-N 1 1 371.445 1.185 20 30 FDEDMO C[C@H](C#N)C(=O)NC[C@]1(C)CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573578006 947177824 /nfs/dbraw/zinc/17/78/24/947177824.db2.gz XDTCKROFTXVHQC-KUHUBIRLSA-N 1 1 367.457 1.745 20 30 FDEDMO C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573581927 947184641 /nfs/dbraw/zinc/18/46/41/947184641.db2.gz ANCDHFDDFKZUJF-RYUDHWBXSA-N 1 1 359.459 1.416 20 30 FDEDMO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001573309774 947210618 /nfs/dbraw/zinc/21/06/18/947210618.db2.gz OHFXCMZNJQJFBS-SCLBCKFNSA-N 1 1 371.445 1.064 20 30 FDEDMO 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FDEDMO CC(C)[C@@H](CNC(=O)Cc1ccc(OCC#N)cc1)N1CC[NH+](C)CC1 ZINC000111660729 524320266 /nfs/dbraw/zinc/32/02/66/524320266.db2.gz NBMNZPZFNQWTPD-LJQANCHMSA-N 1 1 358.486 1.520 20 30 FDEDMO N#CC1CC[NH+](CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC1 ZINC000141952442 524342464 /nfs/dbraw/zinc/34/24/64/524342464.db2.gz HEQUIWALRRYWOR-UHFFFAOYSA-N 1 1 354.454 1.643 20 30 FDEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000142402816 524349963 /nfs/dbraw/zinc/34/99/63/524349963.db2.gz OTTHPLMZMPAROM-MRXNPFEDSA-N 1 1 363.483 1.461 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121779875 524361517 /nfs/dbraw/zinc/36/15/17/524361517.db2.gz NIIQIGFIVZLNIM-MRXNPFEDSA-N 1 1 350.507 1.975 20 30 FDEDMO Cc1c[nH+]c(NC2CCN(CC#N)CC2)nc1NC1CCN(CC#N)CC1 ZINC000085685271 524366101 /nfs/dbraw/zinc/36/61/01/524366101.db2.gz FQKIJVQIPJFZEY-UHFFFAOYSA-N 1 1 368.489 1.585 20 30 FDEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](CCO)C(C)C ZINC000085862612 524371603 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524669381 /nfs/dbraw/zinc/66/93/81/524669381.db2.gz NREANPAVSAHAQD-CQSZACIVSA-N 1 1 360.462 1.511 20 30 FDEDMO C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000113306221 524672241 /nfs/dbraw/zinc/67/22/41/524672241.db2.gz FQMUDZABZOICFY-GDBMZVCRSA-N 1 1 363.483 1.460 20 30 FDEDMO C#Cc1cccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC000123165552 524696161 /nfs/dbraw/zinc/69/61/61/524696161.db2.gz LLJKTZRBYQBMAD-UHFFFAOYSA-N 1 1 359.389 1.812 20 30 FDEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)CCC(=O)OC(C)(C)C)CC1 ZINC000091591668 524733669 /nfs/dbraw/zinc/73/36/69/524733669.db2.gz PPWGZTFHFJAWEV-INIZCTEOSA-N 1 1 366.506 1.342 20 30 FDEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)CCC(=O)OC(C)(C)C)CC1 ZINC000091591668 524733680 /nfs/dbraw/zinc/73/36/80/524733680.db2.gz PPWGZTFHFJAWEV-INIZCTEOSA-N 1 1 366.506 1.342 20 30 FDEDMO C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1CCCS1(=O)=O)C(C)C ZINC000159863711 524756527 /nfs/dbraw/zinc/75/65/27/524756527.db2.gz PQVCDCUIELCJLS-CVEARBPZSA-N 1 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GGFARLFNBHHTAT-OAHLLOKOSA-N 1 1 365.499 1.565 20 30 FDEDMO CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3ccccc3OCC#N)C2)CC1 ZINC000175997919 525038809 /nfs/dbraw/zinc/03/88/09/525038809.db2.gz BJFSGTOULGJDJH-QGZVFWFLSA-N 1 1 356.470 1.831 20 30 FDEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000115891207 525084901 /nfs/dbraw/zinc/08/49/01/525084901.db2.gz OMWODBYGJVMWOO-CRAIPNDOSA-N 1 1 372.469 1.750 20 30 FDEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000153192666 525137439 /nfs/dbraw/zinc/13/74/39/525137439.db2.gz HACDEZGLFBTOOA-KRWDZBQOSA-N 1 1 372.494 1.415 20 30 FDEDMO COc1cccc(CNC(=O)C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000153261855 525160632 /nfs/dbraw/zinc/16/06/32/525160632.db2.gz HEKKLIYIECVYHB-UHFFFAOYSA-N 1 1 356.430 1.053 20 30 FDEDMO C=CCNC(=O)Nc1ccc(NC(=O)CC[NH+]2CCN(CC)CC2)cc1 ZINC000101635357 525241109 /nfs/dbraw/zinc/24/11/09/525241109.db2.gz WHBNZCFVAZRGRS-UHFFFAOYSA-N 1 1 359.474 1.960 20 30 FDEDMO C[C@@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000101633229 525242255 /nfs/dbraw/zinc/24/22/55/525242255.db2.gz PCRKPWUGJBPZCQ-AWEZNQCLSA-N 1 1 353.388 1.809 20 30 FDEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000177375071 525283189 /nfs/dbraw/zinc/28/31/89/525283189.db2.gz GGCOYRHUEQTGRB-QGZVFWFLSA-N 1 1 363.550 1.675 20 30 FDEDMO C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162808435 525320713 /nfs/dbraw/zinc/32/07/13/525320713.db2.gz KDJMVVZWHBDUKK-CRAIPNDOSA-N 1 1 369.469 1.124 20 30 FDEDMO CN(CCC#N)S(=O)(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000103163765 525336108 /nfs/dbraw/zinc/33/61/08/525336108.db2.gz PIGUFVNKWJHLGJ-KRWDZBQOSA-N 1 1 350.488 1.231 20 30 FDEDMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCN([C@H](C#N)c3ccccc3)CC2)CC1 ZINC000153850269 525343639 /nfs/dbraw/zinc/34/36/39/525343639.db2.gz DADZLSFTQVUKDK-AZUAARDMSA-N 1 1 369.513 1.421 20 30 FDEDMO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000104076337 525390651 /nfs/dbraw/zinc/39/06/51/525390651.db2.gz MNAKDISQMURYKQ-UONOGXRCSA-N 1 1 366.425 1.268 20 30 FDEDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000104076337 525390660 /nfs/dbraw/zinc/39/06/60/525390660.db2.gz MNAKDISQMURYKQ-UONOGXRCSA-N 1 1 366.425 1.268 20 30 FDEDMO C#CCC[NH+]1CCN(CC(=O)N[C@H](c2nccs2)c2ccccc2)CC1 ZINC000127272152 525403859 /nfs/dbraw/zinc/40/38/59/525403859.db2.gz JSZHMLGFMGFABP-IBGZPJMESA-N 1 1 368.506 1.990 20 30 FDEDMO C#CCC[NH+]1CCN(CC(=O)Nc2cc(OC)c(Cl)cc2OC)CC1 ZINC000127425559 525420323 /nfs/dbraw/zinc/42/03/23/525420323.db2.gz GHGAEBFIXXZFOD-UHFFFAOYSA-N 1 1 365.861 1.937 20 30 FDEDMO CCCC[N@@H+](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000127469883 525426562 /nfs/dbraw/zinc/42/65/62/525426562.db2.gz RPNMHYOXLAUSFF-AWEZNQCLSA-N 1 1 366.487 1.073 20 30 FDEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000127655750 525445762 /nfs/dbraw/zinc/44/57/62/525445762.db2.gz UNQVUCCIAROWDA-HOCLYGCPSA-N 1 1 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N#Cc1ncccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000277085957 780735412 /nfs/dbraw/zinc/73/54/12/780735412.db2.gz VDZGNENAJVQVCJ-KRWDZBQOSA-N 1 1 370.478 1.796 20 30 FDEDMO C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001022527998 780954472 /nfs/dbraw/zinc/95/44/72/780954472.db2.gz ZPTUAGFEFLSXAQ-JKIFEVAISA-N 1 1 364.409 1.100 20 30 FDEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000971998779 781385548 /nfs/dbraw/zinc/38/55/48/781385548.db2.gz WSCSIXMMSXYGCT-LWYYNNOASA-N 1 1 369.465 1.642 20 30 FDEDMO N#CCSCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2ncccn2)C1 ZINC001211537990 781783201 /nfs/dbraw/zinc/78/32/01/781783201.db2.gz MOZBPZHWXBXBLW-DLBZAZTESA-N 1 1 367.478 1.818 20 30 FDEDMO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2ccc(OCC#N)cc2)CCCO1 ZINC000277419106 781821146 /nfs/dbraw/zinc/82/11/46/781821146.db2.gz MEXBCJREWRUDQD-MRXNPFEDSA-N 1 1 360.458 1.889 20 30 FDEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnc(C(F)(F)F)c3)[C@H]2C1 ZINC001083239571 781881042 /nfs/dbraw/zinc/88/10/42/781881042.db2.gz JWDWSFYEUUHKDT-UONOGXRCSA-N 1 1 353.344 1.649 20 30 FDEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc(C(F)(F)F)c3)[C@H]2C1 ZINC001083239571 781881051 /nfs/dbraw/zinc/88/10/51/781881051.db2.gz JWDWSFYEUUHKDT-UONOGXRCSA-N 1 1 353.344 1.649 20 30 FDEDMO C=CCn1c([C@@H]2CCO[C@H]2C)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000647370270 783711344 /nfs/dbraw/zinc/71/13/44/783711344.db2.gz SGJAXUBVQKBKFV-YESZJQIVSA-N 1 1 361.490 1.658 20 30 FDEDMO C=CCn1c([C@H]2CCO[C@@H]2C)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC000647370856 783727775 /nfs/dbraw/zinc/72/77/75/783727775.db2.gz DLZHQCXHIGHXRT-SJORKVTESA-N 1 1 363.506 1.904 20 30 FDEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC(=O)NCC#N ZINC000377047677 791004137 /nfs/dbraw/zinc/00/41/37/791004137.db2.gz HTCBVAOPRXCZCV-KRWDZBQOSA-N 1 1 357.458 1.180 20 30 FDEDMO N#CCNC(=O)CNC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000377059202 791015603 /nfs/dbraw/zinc/01/56/03/791015603.db2.gz YGRHGNOXEQUFNY-ZWKOTPCHSA-N 1 1 369.469 1.465 20 30 FDEDMO C[N@H+]1CC[C@H](CNC(=O)NCC#CCO)[C@H]1c1ccc(Cl)c(F)c1 ZINC000923776027 784786318 /nfs/dbraw/zinc/78/63/18/784786318.db2.gz WITMEALSHIXRIE-CZUORRHYSA-N 1 1 353.825 1.767 20 30 FDEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000364337394 784957199 /nfs/dbraw/zinc/95/71/99/784957199.db2.gz NAGFODISOXGNND-RDJZCZTQSA-N 1 1 371.397 1.740 20 30 FDEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C1 ZINC000658760461 785059589 /nfs/dbraw/zinc/05/95/89/785059589.db2.gz YDLRLHKMPSBYQE-MRXNPFEDSA-N 1 1 351.491 1.370 20 30 FDEDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000364533248 785090967 /nfs/dbraw/zinc/09/09/67/785090967.db2.gz JSWAPEVXUDYKAK-RTBURBONSA-N 1 1 368.481 1.992 20 30 FDEDMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@@H]1C ZINC000413677512 785196692 /nfs/dbraw/zinc/19/66/92/785196692.db2.gz RLJDMJVCJZBPIQ-JCGIZDLHSA-N 1 1 355.438 1.758 20 30 FDEDMO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@@H]1C ZINC000413677512 785196704 /nfs/dbraw/zinc/19/67/04/785196704.db2.gz RLJDMJVCJZBPIQ-JCGIZDLHSA-N 1 1 355.438 1.758 20 30 FDEDMO O=C(C[N@H+]1C[C@@H]2C[C@]2(CO)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000782620845 785440022 /nfs/dbraw/zinc/44/00/22/785440022.db2.gz VCFOSPFDHLMAKA-DOTOQJQBSA-N 1 1 352.356 1.487 20 30 FDEDMO O=C(C[N@@H+]1C[C@@H]2C[C@]2(CO)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000782620845 785440024 /nfs/dbraw/zinc/44/00/24/785440024.db2.gz VCFOSPFDHLMAKA-DOTOQJQBSA-N 1 1 352.356 1.487 20 30 FDEDMO C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000413828836 785482678 /nfs/dbraw/zinc/48/26/78/785482678.db2.gz VRTNMFBYCXSLHT-UYAOXDASSA-N 1 1 361.486 1.556 20 30 FDEDMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001024652489 785626708 /nfs/dbraw/zinc/62/67/08/785626708.db2.gz NVARXKAVYRFNCO-CEXWTWQISA-N 1 1 368.481 1.753 20 30 FDEDMO COC(=O)[C@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@H+](C)C1 ZINC000413900401 785725173 /nfs/dbraw/zinc/72/51/73/785725173.db2.gz KQKIGQDYWWKSRB-OAHLLOKOSA-N 1 1 368.393 1.390 20 30 FDEDMO COC(=O)[C@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@@H+](C)C1 ZINC000413900401 785725177 /nfs/dbraw/zinc/72/51/77/785725177.db2.gz KQKIGQDYWWKSRB-OAHLLOKOSA-N 1 1 368.393 1.390 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=C)Br)C[C@H]21 ZINC000978723244 805699041 /nfs/dbraw/zinc/69/90/41/805699041.db2.gz YGGYHFGPRCDYCN-ZSAUSMIDSA-N 1 1 355.276 1.780 20 30 FDEDMO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000431756086 786803172 /nfs/dbraw/zinc/80/31/72/786803172.db2.gz SERLXJFIGANAMB-MRXNPFEDSA-N 1 1 354.454 1.996 20 30 FDEDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000376323030 787278817 /nfs/dbraw/zinc/27/88/17/787278817.db2.gz GCORJHQMCAHRDL-XYJFISCASA-N 1 1 362.426 1.340 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000978840567 805808488 /nfs/dbraw/zinc/80/84/88/805808488.db2.gz PHFKCLPQPQXISR-ZBRFXRBCSA-N 1 1 363.502 1.320 20 30 FDEDMO Cc1nn(C)c(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1C#N ZINC000892616966 787740289 /nfs/dbraw/zinc/74/02/89/787740289.db2.gz QPQGIBOBOABXRH-RDJZCZTQSA-N 1 1 369.473 1.786 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1csnn1 ZINC001025112172 787976462 /nfs/dbraw/zinc/97/64/62/787976462.db2.gz VMVHMOYTQOMRMA-JYJNAYRXSA-N 1 1 350.488 1.990 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000973327923 788633771 /nfs/dbraw/zinc/63/37/71/788633771.db2.gz OQBNSUGXSILUJM-FRMKIJSPSA-N 1 1 363.502 1.461 20 30 FDEDMO C=CCCCCCN(C)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000659535265 789118227 /nfs/dbraw/zinc/11/82/27/789118227.db2.gz YWXGKUMVBQDZJF-SFHVURJKSA-N 1 1 364.534 1.430 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000978959495 805938882 /nfs/dbraw/zinc/93/88/82/805938882.db2.gz LQCIUUPJRRSMHN-SVMIPSPUSA-N 1 1 372.469 1.505 20 30 FDEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3Cc4cc(C)c(C)cc4O3)[C@H]2C1 ZINC001083280660 789242801 /nfs/dbraw/zinc/24/28/01/789242801.db2.gz AKINTLGMONDAAO-DFQSSKMNSA-N 1 1 354.450 1.542 20 30 FDEDMO C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001083283884 791203410 /nfs/dbraw/zinc/20/34/10/791203410.db2.gz ZMAMSYTWQDANPL-LEWJYISDSA-N 1 1 367.493 1.443 20 30 FDEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 ZINC000377220157 791299488 /nfs/dbraw/zinc/29/94/88/791299488.db2.gz GIZSWCRRAFZKSO-INIZCTEOSA-N 1 1 373.505 1.836 20 30 FDEDMO C[C@H](CN1CCN(C)CC1)NC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000892870206 791521935 /nfs/dbraw/zinc/52/19/35/791521935.db2.gz PILJQPQYEWFYBG-APWZRJJASA-N 1 1 371.485 1.277 20 30 FDEDMO CCC(CC)[C@@H](C(=O)N1CCC(n2cnc(C#N)n2)CC1)[NH+]1CCOCC1 ZINC000377432892 791820187 /nfs/dbraw/zinc/82/01/87/791820187.db2.gz PXKYNBBXXHLLRE-SFHVURJKSA-N 1 1 374.489 1.450 20 30 FDEDMO CO/N=C/c1ccc(C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000377454543 791872510 /nfs/dbraw/zinc/87/25/10/791872510.db2.gz PYRHDPXDOFDRAM-RCCKNPSSSA-N 1 1 372.469 1.293 20 30 FDEDMO Cn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)cn1 ZINC001075533976 791980590 /nfs/dbraw/zinc/98/05/90/791980590.db2.gz QMDRIYXMYZURPY-KBXCAEBGSA-N 1 1 353.401 1.777 20 30 FDEDMO Cn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)cn1 ZINC001075533976 791980593 /nfs/dbraw/zinc/98/05/93/791980593.db2.gz QMDRIYXMYZURPY-KBXCAEBGSA-N 1 1 353.401 1.777 20 30 FDEDMO C=CCNC(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000892959203 792197257 /nfs/dbraw/zinc/19/72/57/792197257.db2.gz WGUTVFJVGXJLMK-FXAWDEMLSA-N 1 1 358.438 1.371 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1C(F)(F)F ZINC001112034397 792211221 /nfs/dbraw/zinc/21/12/21/792211221.db2.gz HRMBXTLFMHJAFR-OPRDCNLKSA-N 1 1 357.323 1.311 20 30 FDEDMO C=CCOc1ccc(CC(=O)N2CCO[C@@H]3C[N@H+](CCOC)C[C@@H]32)cc1 ZINC001083286485 792394250 /nfs/dbraw/zinc/39/42/50/792394250.db2.gz MKXODASVODHNKO-RBUKOAKNSA-N 1 1 360.454 1.352 20 30 FDEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000377762778 792749938 /nfs/dbraw/zinc/74/99/38/792749938.db2.gz SVDUVBGNWKHKLG-HZPDHXFCSA-N 1 1 364.490 1.937 20 30 FDEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000377762780 792750050 /nfs/dbraw/zinc/75/00/50/792750050.db2.gz SVDUVBGNWKHKLG-JKSUJKDBSA-N 1 1 364.490 1.937 20 30 FDEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cccc(OC(C)C)c3)[C@H]2C1 ZINC001083288619 792877833 /nfs/dbraw/zinc/87/78/33/792877833.db2.gz PZAXJQIGCNSQBS-VQTJNVASSA-N 1 1 356.466 1.951 20 30 FDEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cccc(OC(C)C)c3)[C@H]2C1 ZINC001083288619 792877843 /nfs/dbraw/zinc/87/78/43/792877843.db2.gz PZAXJQIGCNSQBS-VQTJNVASSA-N 1 1 356.466 1.951 20 30 FDEDMO N#CCOc1ccc(CNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000377912481 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C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2C)C1 ZINC001028809655 815782673 /nfs/dbraw/zinc/78/26/73/815782673.db2.gz MPDUQRRTBUAVFW-SCTDSRPQSA-N 1 1 371.481 1.963 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2C)C1 ZINC001028809655 815782683 /nfs/dbraw/zinc/78/26/83/815782683.db2.gz MPDUQRRTBUAVFW-SCTDSRPQSA-N 1 1 371.481 1.963 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH2+]Cc1nc(N(C)C)no1 ZINC001167956669 815803365 /nfs/dbraw/zinc/80/33/65/815803365.db2.gz HNUOQCBGOABZHY-ZFWWWQNUSA-N 1 1 351.451 1.103 20 30 FDEDMO O=C(c1cncnc1)N1CC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001075713815 815868237 /nfs/dbraw/zinc/86/82/37/815868237.db2.gz NHAZQHSQFWBGKU-QFBILLFUSA-N 1 1 350.397 1.814 20 30 FDEDMO O=C(c1cncnc1)N1CC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001075713815 815868242 /nfs/dbraw/zinc/86/82/42/815868242.db2.gz NHAZQHSQFWBGKU-QFBILLFUSA-N 1 1 350.397 1.814 20 30 FDEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 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/nfs/dbraw/zinc/51/49/97/816514997.db2.gz SPVJJOZZHUWIEJ-HXUWFJFHSA-N 1 1 370.453 1.659 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000437483123 817109624 /nfs/dbraw/zinc/10/96/24/817109624.db2.gz LBWRPQSHGUFUTA-CTNGQTDRSA-N 1 1 357.498 1.902 20 30 FDEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000425870227 817271405 /nfs/dbraw/zinc/27/14/05/817271405.db2.gz LCECMAQSHOEOER-ZTFGCOKTSA-N 1 1 354.454 1.821 20 30 FDEDMO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000425880482 817296474 /nfs/dbraw/zinc/29/64/74/817296474.db2.gz JPOODHRQPNPQFW-ZDUSSCGKSA-N 1 1 368.441 1.194 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000425889651 817311351 /nfs/dbraw/zinc/31/13/51/817311351.db2.gz VDWCDTWVTWDRGI-IEZWGBDMSA-N 1 1 371.481 1.257 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000425889651 817311359 /nfs/dbraw/zinc/31/13/59/817311359.db2.gz VDWCDTWVTWDRGI-IEZWGBDMSA-N 1 1 371.481 1.257 20 30 FDEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000425909979 817365443 /nfs/dbraw/zinc/36/54/43/817365443.db2.gz SAOOTSMZBRUAKW-HZPDHXFCSA-N 1 1 356.470 1.926 20 30 FDEDMO CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001087466980 817465684 /nfs/dbraw/zinc/46/56/84/817465684.db2.gz YRZLPQKQBBTNLU-IAGOWNOFSA-N 1 1 355.417 1.863 20 30 FDEDMO CC#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001087466980 817465694 /nfs/dbraw/zinc/46/56/94/817465694.db2.gz YRZLPQKQBBTNLU-IAGOWNOFSA-N 1 1 355.417 1.863 20 30 FDEDMO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001087467137 817763228 /nfs/dbraw/zinc/76/32/28/817763228.db2.gz GRXQIEAFSJGTEC-KZNAEPCWSA-N 1 1 357.429 1.354 20 30 FDEDMO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001087467137 817763234 /nfs/dbraw/zinc/76/32/34/817763234.db2.gz GRXQIEAFSJGTEC-KZNAEPCWSA-N 1 1 357.429 1.354 20 30 FDEDMO C[C@@]1(C#N)CN(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000894434398 818051725 /nfs/dbraw/zinc/05/17/25/818051725.db2.gz DRHXBZIMUKBALZ-IEBWSBKVSA-N 1 1 374.510 1.928 20 30 FDEDMO C[C@@]1(C#N)CN(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CCO1 ZINC000894434398 818051736 /nfs/dbraw/zinc/05/17/36/818051736.db2.gz DRHXBZIMUKBALZ-IEBWSBKVSA-N 1 1 374.510 1.928 20 30 FDEDMO C=CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001087472691 818174731 /nfs/dbraw/zinc/17/47/31/818174731.db2.gz SAJOMBJVGSBGNO-FHWLQOOXSA-N 1 1 360.454 1.571 20 30 FDEDMO Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000473701421 818196343 /nfs/dbraw/zinc/19/63/43/818196343.db2.gz QOJBCGIPNODYJK-KRWDZBQOSA-N 1 1 351.410 1.371 20 30 FDEDMO C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001087473291 818210354 /nfs/dbraw/zinc/21/03/54/818210354.db2.gz XBOJWCDOIXCTBD-UFYCRDLUSA-N 1 1 355.482 1.697 20 30 FDEDMO C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001087473818 818240155 /nfs/dbraw/zinc/24/01/55/818240155.db2.gz XSLWJLGAGAEHNG-IRXDYDNUSA-N 1 1 369.421 1.208 20 30 FDEDMO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001087473818 818240158 /nfs/dbraw/zinc/24/01/58/818240158.db2.gz XSLWJLGAGAEHNG-IRXDYDNUSA-N 1 1 369.421 1.208 20 30 FDEDMO C#CCC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001087474062 818245752 /nfs/dbraw/zinc/24/57/52/818245752.db2.gz KGRLXVIVAQCPSU-BZSNNMDCSA-N 1 1 371.437 1.101 20 30 FDEDMO C=CCC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001087475943 818340239 /nfs/dbraw/zinc/34/02/39/818340239.db2.gz LGZGQYSQTXXUSN-RDGPPVDQSA-N 1 1 371.481 1.667 20 30 FDEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC2(C)C)C[C@H]1C(F)(F)F ZINC001112148529 818344776 /nfs/dbraw/zinc/34/47/76/818344776.db2.gz RNMFEVRGZGUFTQ-JHJVBQTASA-N 1 1 359.392 1.151 20 30 FDEDMO C#CCC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001087476455 818377373 /nfs/dbraw/zinc/37/73/73/818377373.db2.gz NNXHIBGJNWJMAI-FHWLQOOXSA-N 1 1 369.465 1.271 20 30 FDEDMO CCn1nncc1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC001075765228 818409042 /nfs/dbraw/zinc/40/90/42/818409042.db2.gz GSIXIQUKQXRLQK-FUHWJXTLSA-N 1 1 350.426 1.516 20 30 FDEDMO C[C@H]1[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)CC[N@H+]1C ZINC000928436614 818570137 /nfs/dbraw/zinc/57/01/37/818570137.db2.gz VCMCVNBPHDIUMV-IINYFYTJSA-N 1 1 352.232 1.908 20 30 FDEDMO N#Cc1cc2c(n(C[C@H]3COCCO3)c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000519642142 818994797 /nfs/dbraw/zinc/99/47/97/818994797.db2.gz GBQOYTNFGVAJTM-IBGZPJMESA-N 1 1 365.433 1.694 20 30 FDEDMO COC(=O)[C@H](O)C1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000441249530 819284185 /nfs/dbraw/zinc/28/41/85/819284185.db2.gz XEGHBVNRZWKVKQ-CRAIPNDOSA-N 1 1 373.453 1.568 20 30 FDEDMO CC[N@H+]1CC[C@H]2OCCN(CC(=O)N[C@@H](C)C(=O)N3CCCCC3)[C@H]2C1 ZINC000328747735 819543336 /nfs/dbraw/zinc/54/33/36/819543336.db2.gz BAYRDDBCKGGJMX-YESZJQIVSA-N 1 1 366.506 1.139 20 30 FDEDMO C[C@H](C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000328801660 819559988 /nfs/dbraw/zinc/55/99/88/819559988.db2.gz AKOFFPMKSVLRIL-SJLPKXTDSA-N 1 1 358.486 1.628 20 30 FDEDMO O=C(CN1CC[N@H+]2CCC[C@@H]2C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000328833327 819560948 /nfs/dbraw/zinc/56/09/48/819560948.db2.gz RTERFENJCYBJHZ-LJQANCHMSA-N 1 1 370.497 1.762 20 30 FDEDMO C[C@](O)(CNC(=O)c1ccc2c(c1)NC(=O)C2(C)C)C[NH+]1CCOCC1 ZINC000328865753 819570338 /nfs/dbraw/zinc/57/03/38/819570338.db2.gz GLXCPNRXHSBHCH-IBGZPJMESA-N 1 1 361.442 1.954 20 30 FDEDMO Cc1cc(N2CCC(NC(=O)[C@H]3CCc4nncn4C3)CC2)nc(C)[nH+]1 ZINC000328911254 819591513 /nfs/dbraw/zinc/59/15/13/819591513.db2.gz OAUFRXRTQKQXTR-AWEZNQCLSA-N 1 1 355.446 1.873 20 30 FDEDMO CC[C@H]1CN(C(=O)Nc2ccnc(C(=O)N(C)C)c2)CC[N@H+]1C[C@H](C)O ZINC000331140687 819666585 /nfs/dbraw/zinc/66/65/85/819666585.db2.gz KFFFAGPUBLLBMA-ZFWWWQNUSA-N 1 1 363.462 1.106 20 30 FDEDMO 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358.417 1.255 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C)C2=O)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088804599 844678713 /nfs/dbraw/zinc/67/87/13/844678713.db2.gz CBBDBCXOWSNTRC-VMGRFDJRSA-N 1 1 358.417 1.255 20 30 FDEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc[nH]c3CCC)[C@H]2C)C1=O ZINC001088807601 844866335 /nfs/dbraw/zinc/86/63/35/844866335.db2.gz PLVPEBHQCVFIEL-HFTRVMKXSA-N 1 1 358.486 1.947 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc[nH]c3CCC)[C@H]2C)C1=O ZINC001088807601 844866342 /nfs/dbraw/zinc/86/63/42/844866342.db2.gz PLVPEBHQCVFIEL-HFTRVMKXSA-N 1 1 358.486 1.947 20 30 FDEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)CC1 ZINC000842161987 845110097 /nfs/dbraw/zinc/11/00/97/845110097.db2.gz SQISINYRJFSFEQ-GOSISDBHSA-N 1 1 361.436 1.749 20 30 FDEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)CC1 ZINC000842161987 845110104 /nfs/dbraw/zinc/11/01/04/845110104.db2.gz SQISINYRJFSFEQ-GOSISDBHSA-N 1 1 361.436 1.749 20 30 FDEDMO C#CC1(O)CCN(C(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000899113045 845803986 /nfs/dbraw/zinc/80/39/86/845803986.db2.gz YHDJTVSUBADZGG-CALCHBBNSA-N 1 1 356.466 1.896 20 30 FDEDMO C#CC1(O)CCN(C(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000899113045 845803993 /nfs/dbraw/zinc/80/39/93/845803993.db2.gz YHDJTVSUBADZGG-CALCHBBNSA-N 1 1 356.466 1.896 20 30 FDEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(COC)c2)C[C@@H]1O ZINC001083525875 846374174 /nfs/dbraw/zinc/37/41/74/846374174.db2.gz PSHYKABKIUZMOA-QUCCMNQESA-N 1 1 369.465 1.796 20 30 FDEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(COC)c2)C[C@@H]1O ZINC001083525875 846374183 /nfs/dbraw/zinc/37/41/83/846374183.db2.gz PSHYKABKIUZMOA-QUCCMNQESA-N 1 1 369.465 1.796 20 30 FDEDMO Cc1cc(CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)n(C)n1 ZINC001076036657 847126050 /nfs/dbraw/zinc/12/60/50/847126050.db2.gz NNHPPPOEVFBFQC-KBXCAEBGSA-N 1 1 369.494 1.937 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cncc(CC)c4)[C@@H]3C2)C1=O ZINC001076045469 847143552 /nfs/dbraw/zinc/14/35/52/847143552.db2.gz AOMIWEDJPIUFAK-QXAKKESOSA-N 1 1 368.481 1.577 20 30 FDEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)CC3)[C@@H]2C1 ZINC001076087241 847229704 /nfs/dbraw/zinc/22/97/04/847229704.db2.gz MCBOVMIHIPEPBY-ZYSHUDEJSA-N 1 1 366.465 1.507 20 30 FDEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)CC3)[C@@H]2C1 ZINC001076087241 847229712 /nfs/dbraw/zinc/22/97/12/847229712.db2.gz MCBOVMIHIPEPBY-ZYSHUDEJSA-N 1 1 366.465 1.507 20 30 FDEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCNC(=O)CC4)[C@@H]3C2)c1 ZINC001076087085 847230506 /nfs/dbraw/zinc/23/05/06/847230506.db2.gz FPAJVUXZCQZSJY-CEXWTWQISA-N 1 1 366.465 1.507 20 30 FDEDMO COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4c[nH]nc4C)[C@@H]3C2)cc1C#N ZINC001076112340 847287635 /nfs/dbraw/zinc/28/76/35/847287635.db2.gz BBGDSUKEDLNMLV-MAUKXSAKSA-N 1 1 365.437 1.945 20 30 FDEDMO COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4c[nH]nc4C)[C@@H]3C2)cc1C#N ZINC001076112340 847287644 /nfs/dbraw/zinc/28/76/44/847287644.db2.gz BBGDSUKEDLNMLV-MAUKXSAKSA-N 1 1 365.437 1.945 20 30 FDEDMO CN1C(=O)CC[C@@H]1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC001076122226 847343673 /nfs/dbraw/zinc/34/36/73/847343673.db2.gz QWORWQSSQVGGEE-IPMKNSEASA-N 1 1 366.465 1.602 20 30 FDEDMO Cc1cc(NC[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C#N)cn1 ZINC001060103281 847428711 /nfs/dbraw/zinc/42/87/11/847428711.db2.gz SLIFNXQNGFFLLT-GPMSIDNRSA-N 1 1 371.485 1.053 20 30 FDEDMO Cc1cc(NC[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C#N)cn1 ZINC001060103281 847428718 /nfs/dbraw/zinc/42/87/18/847428718.db2.gz SLIFNXQNGFFLLT-GPMSIDNRSA-N 1 1 371.485 1.053 20 30 FDEDMO CN1C(=O)CC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001076165356 847437415 /nfs/dbraw/zinc/43/74/15/847437415.db2.gz YULCYXMIGYSRJE-CGTJXYLNSA-N 1 1 370.428 1.351 20 30 FDEDMO CN1C(=O)CC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001076165356 847437422 /nfs/dbraw/zinc/43/74/22/847437422.db2.gz YULCYXMIGYSRJE-CGTJXYLNSA-N 1 1 370.428 1.351 20 30 FDEDMO C=C1CCC(C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCOCC4)C[C@H]32)CC1 ZINC001076208663 847566297 /nfs/dbraw/zinc/56/62/97/847566297.db2.gz DZTYSUDVEHCWNS-ZWKOTPCHSA-N 1 1 361.486 1.124 20 30 FDEDMO C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCOCC4)C[C@H]32)CC1 ZINC001076208663 847566305 /nfs/dbraw/zinc/56/63/05/847566305.db2.gz DZTYSUDVEHCWNS-ZWKOTPCHSA-N 1 1 361.486 1.124 20 30 FDEDMO C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCN4C(=O)CCC4=O)C[C@H]32)CC1 ZINC001076209960 847567518 /nfs/dbraw/zinc/56/75/18/847567518.db2.gz PWQDNPDWWQCPPS-DLBZAZTESA-N 1 1 359.470 1.415 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C(N)=O)co4)[C@@H]3C2)cc1 ZINC001076231549 847588067 /nfs/dbraw/zinc/58/80/67/847588067.db2.gz ILRODEXFQMHJNT-DOTOQJQBSA-N 1 1 364.405 1.597 20 30 FDEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccnc(OC)c4)C[C@H]32)nn1 ZINC001076335272 847880752 /nfs/dbraw/zinc/88/07/52/847880752.db2.gz YPJVYWASHLVOTH-DOTOQJQBSA-N 1 1 368.441 1.214 20 30 FDEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccnc(OC)c4)C[C@H]32)nn1 ZINC001076335272 847880758 /nfs/dbraw/zinc/88/07/58/847880758.db2.gz YPJVYWASHLVOTH-DOTOQJQBSA-N 1 1 368.441 1.214 20 30 FDEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@H+](C[C@@H](OC)C4CCC4)C[C@H]32)nn1 ZINC001076336274 847883039 /nfs/dbraw/zinc/88/30/39/847883039.db2.gz QROQFJNJDSEQIL-CGTJXYLNSA-N 1 1 359.474 1.426 20 30 FDEDMO C=CCCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4conc4C)C[C@H]32)nn1 ZINC001076345164 847920161 /nfs/dbraw/zinc/92/01/61/847920161.db2.gz RHBYPKDUOLYTFZ-WMLDXEAASA-N 1 1 356.430 1.497 20 30 FDEDMO C=CCCn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4conc4C)C[C@H]32)nn1 ZINC001076345164 847920167 /nfs/dbraw/zinc/92/01/67/847920167.db2.gz RHBYPKDUOLYTFZ-WMLDXEAASA-N 1 1 356.430 1.497 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cc(C)nc(C)n4)[C@@H]3C2)C1=O ZINC001076357150 847949211 /nfs/dbraw/zinc/94/92/11/847949211.db2.gz RCEYSBQWBUCLRA-CGTJXYLNSA-N 1 1 369.469 1.027 20 30 FDEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccncn4)[C@@H]3C2)cc1 ZINC001076372078 847986280 /nfs/dbraw/zinc/98/62/80/847986280.db2.gz JBCATTHGTMWVON-QFBILLFUSA-N 1 1 363.421 1.725 20 30 FDEDMO CCCn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)nn1 ZINC001076407725 848050853 /nfs/dbraw/zinc/05/08/53/848050853.db2.gz SZRUUAZQAKNTDL-SUMWQHHRSA-N 1 1 370.482 1.968 20 30 FDEDMO CCCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)nn1 ZINC001076407725 848050857 /nfs/dbraw/zinc/05/08/57/848050857.db2.gz SZRUUAZQAKNTDL-SUMWQHHRSA-N 1 1 370.482 1.968 20 30 FDEDMO CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)nn1 ZINC001076411131 848076366 /nfs/dbraw/zinc/07/63/66/848076366.db2.gz TVFMXBFUEKUZGG-FUHWJXTLSA-N 1 1 350.426 1.516 20 30 FDEDMO Cc1nonc1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001076415580 848089638 /nfs/dbraw/zinc/08/96/38/848089638.db2.gz VWBXSNGZQWVXMG-MAUKXSAKSA-N 1 1 369.400 1.664 20 30 FDEDMO Cc1nonc1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001076415580 848089643 /nfs/dbraw/zinc/08/96/43/848089643.db2.gz VWBXSNGZQWVXMG-MAUKXSAKSA-N 1 1 369.400 1.664 20 30 FDEDMO O=C(Cc1nnc[nH]1)N1CC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001076443193 848126736 /nfs/dbraw/zinc/12/67/36/848126736.db2.gz ACQIJHSCWLUJKV-DOTOQJQBSA-N 1 1 353.401 1.071 20 30 FDEDMO O=C(Cc1nnc[nH]1)N1CC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001076443193 848126744 /nfs/dbraw/zinc/12/67/44/848126744.db2.gz ACQIJHSCWLUJKV-DOTOQJQBSA-N 1 1 353.401 1.071 20 30 FDEDMO C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076443507 848128128 /nfs/dbraw/zinc/12/81/28/848128128.db2.gz OTLHHKQKAPFHJK-ZYSHUDEJSA-N 1 1 366.465 1.459 20 30 FDEDMO Cn1cccc(C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)c1=O ZINC001076473799 848233995 /nfs/dbraw/zinc/23/39/95/848233995.db2.gz NUFGGTCCMQEWJC-AZUAARDMSA-N 1 1 361.445 1.583 20 30 FDEDMO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4cncn4)[C@@H]3C2)c1 ZINC001076541631 848375104 /nfs/dbraw/zinc/37/51/04/848375104.db2.gz KQHFFFDIYZVVAX-WMLDXEAASA-N 1 1 354.389 1.022 20 30 FDEDMO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCN(C(=O)Cn4cncn4)[C@@H]3C2)c1 ZINC001076541631 848375113 /nfs/dbraw/zinc/37/51/13/848375113.db2.gz KQHFFFDIYZVVAX-WMLDXEAASA-N 1 1 354.389 1.022 20 30 FDEDMO CN1C[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)CCC1=O ZINC001076609335 848561973 /nfs/dbraw/zinc/56/19/73/848561973.db2.gz GPYKIHUJFJAMTK-IPMKNSEASA-N 1 1 366.465 1.459 20 30 FDEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000490804852 861917368 /nfs/dbraw/zinc/91/73/68/861917368.db2.gz VMPMFBIZOYENPN-QUCCMNQESA-N 1 1 372.469 1.273 20 30 FDEDMO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4ccnc4)[C@@H]3C2)c1 ZINC001076633256 848619758 /nfs/dbraw/zinc/61/97/58/848619758.db2.gz FONGBULXHSNICT-MAUKXSAKSA-N 1 1 353.401 1.627 20 30 FDEDMO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCN(C(=O)Cn4ccnc4)[C@@H]3C2)c1 ZINC001076633256 848619763 /nfs/dbraw/zinc/61/97/63/848619763.db2.gz FONGBULXHSNICT-MAUKXSAKSA-N 1 1 353.401 1.627 20 30 FDEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cccc(F)c3)C2)cc1 ZINC001076692071 848744798 /nfs/dbraw/zinc/74/47/98/848744798.db2.gz VXQMEQJKNXOWKU-RTBURBONSA-N 1 1 369.396 1.703 20 30 FDEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cccc(F)c3)C2)cc1 ZINC001076692071 848744802 /nfs/dbraw/zinc/74/48/02/848744802.db2.gz VXQMEQJKNXOWKU-RTBURBONSA-N 1 1 369.396 1.703 20 30 FDEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C3CC3)C[C@H]2O)c1 ZINC001076855614 849213213 /nfs/dbraw/zinc/21/32/13/849213213.db2.gz DVYDHYVVNPFSDQ-RTBURBONSA-N 1 1 350.422 1.739 20 30 FDEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000483279895 849433834 /nfs/dbraw/zinc/43/38/34/849433834.db2.gz NQHUVPOBFXREOI-AUUYWEPGSA-N 1 1 358.442 1.528 20 30 FDEDMO CC(C)(C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O)[C@H]1CCCCO1 ZINC001077010936 849540589 /nfs/dbraw/zinc/54/05/89/849540589.db2.gz UHKVHLNVULRMRU-GUDVDZBRSA-N 1 1 371.481 1.815 20 30 FDEDMO CC(C)(C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O)[C@H]1CCCCO1 ZINC001077010936 849540597 /nfs/dbraw/zinc/54/05/97/849540597.db2.gz UHKVHLNVULRMRU-GUDVDZBRSA-N 1 1 371.481 1.815 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(N(C)C)c2)C[C@H]1O ZINC001077019359 849553472 /nfs/dbraw/zinc/55/34/72/849553472.db2.gz QOWKVZCZDPZLPU-WTGUMLROSA-N 1 1 373.497 1.395 20 30 FDEDMO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O)C1CCC1 ZINC001083560804 849615917 /nfs/dbraw/zinc/61/59/17/849615917.db2.gz SVYQWLCXZLTNFT-KYNGSXCRSA-N 1 1 357.454 1.686 20 30 FDEDMO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O)C1CCC1 ZINC001083560804 849615924 /nfs/dbraw/zinc/61/59/24/849615924.db2.gz SVYQWLCXZLTNFT-KYNGSXCRSA-N 1 1 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C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(NCCn3ccnc3)cc2)C1 ZINC000923596030 868949791 /nfs/dbraw/zinc/94/97/91/868949791.db2.gz YXKKAXNJDUAYGO-IBGZPJMESA-N 1 1 351.454 1.823 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(NCCn3ccnc3)cc2)C1 ZINC000923596030 868949794 /nfs/dbraw/zinc/94/97/94/868949794.db2.gz YXKKAXNJDUAYGO-IBGZPJMESA-N 1 1 351.454 1.823 20 30 FDEDMO C=C[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000465339029 869213415 /nfs/dbraw/zinc/21/34/15/869213415.db2.gz SVBJSCFEUHNWGU-CQSZACIVSA-N 1 1 358.442 1.094 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001060419866 869496523 /nfs/dbraw/zinc/49/65/23/869496523.db2.gz IVAQWOMHXSTVJZ-JQHSSLGASA-N 1 1 363.502 1.417 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001083853492 882319978 /nfs/dbraw/zinc/31/99/78/882319978.db2.gz YZNSFLCWDWHSTQ-RDGPPVDQSA-N 1 1 366.502 1.336 20 30 FDEDMO C[C@H]1C[NH+](CCCNS(=O)(=O)Cc2csc(C#N)c2)C[C@H](C)O1 ZINC000913881966 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/nfs/dbraw/zinc/46/71/47/882467147.db2.gz MOVXAMCOYAUQCJ-MSOLQXFVSA-N 1 1 355.438 1.607 20 30 FDEDMO CC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@@H]2O)CC=CC1 ZINC001083751755 882467151 /nfs/dbraw/zinc/46/71/51/882467151.db2.gz MOVXAMCOYAUQCJ-MSOLQXFVSA-N 1 1 355.438 1.607 20 30 FDEDMO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@]3(C)C2)CC[N@H+]1C ZINC000992760108 871940620 /nfs/dbraw/zinc/94/06/20/871940620.db2.gz NIUVDXATKWVPCI-CQNRTFJUSA-N 1 1 369.469 1.147 20 30 FDEDMO C[C@H]1CN(S(=O)(=O)Cc2csc(C#N)c2)CC[N@@H+]1CC(C)(C)O ZINC000914413046 872771739 /nfs/dbraw/zinc/77/17/39/872771739.db2.gz KYPFHFJUERDAJX-LBPRGKRZSA-N 1 1 357.501 1.227 20 30 FDEDMO C[C@H]1CN(S(=O)(=O)Cc2csc(C#N)c2)CC[N@H+]1CC(C)(C)O ZINC000914413046 872771749 /nfs/dbraw/zinc/77/17/49/872771749.db2.gz KYPFHFJUERDAJX-LBPRGKRZSA-N 1 1 357.501 1.227 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccns1)C2 ZINC001003241203 872855006 /nfs/dbraw/zinc/85/50/06/872855006.db2.gz AHXBJTAULLGBML-KBXIAJHMSA-N 1 1 358.467 1.102 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccns1)C2 ZINC001003241203 872855020 /nfs/dbraw/zinc/85/50/20/872855020.db2.gz AHXBJTAULLGBML-KBXIAJHMSA-N 1 1 358.467 1.102 20 30 FDEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)COCCOc2ccccc2)[C@H](OC)C1 ZINC001212504864 872867693 /nfs/dbraw/zinc/86/76/93/872867693.db2.gz ZGQCNVXKMFCUOW-RTBURBONSA-N 1 1 362.470 1.864 20 30 FDEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N(CCC)[C@H]2CC[N@@H+](C)C2)cc1 ZINC000649003555 882671477 /nfs/dbraw/zinc/67/14/77/882671477.db2.gz FWRXAYJSNCHBEA-INIZCTEOSA-N 1 1 365.499 1.707 20 30 FDEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2c(C)nc[nH]c2=O)[C@H](OC)C1 ZINC001212509621 873107378 /nfs/dbraw/zinc/10/73/78/873107378.db2.gz GVQQQQZUEKDECM-KBRIMQKVSA-N 1 1 362.474 1.593 20 30 FDEDMO O=C(NC1CC[NH+](CC#Cc2ccccc2)CC1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001003365316 873220376 /nfs/dbraw/zinc/22/03/76/873220376.db2.gz YOHLVKHSFBKBHP-SESVDKBCSA-N 1 1 368.477 1.670 20 30 FDEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(CNc3ccc(C#N)cn3)CC2)O1 ZINC001090010287 873507332 /nfs/dbraw/zinc/50/73/32/873507332.db2.gz VRXGGMZQJMJXCB-GDBMZVCRSA-N 1 1 357.458 1.371 20 30 FDEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(CNc3ccc(C#N)cn3)CC2)O1 ZINC001090010287 873507338 /nfs/dbraw/zinc/50/73/38/873507338.db2.gz VRXGGMZQJMJXCB-GDBMZVCRSA-N 1 1 357.458 1.371 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C3CC3)CC1)C2 ZINC001003456084 873521670 /nfs/dbraw/zinc/52/16/70/873521670.db2.gz WNKXECNXYOVMFY-BDXSIMOUSA-N 1 1 355.482 1.522 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C3CC3)CC1)C2 ZINC001003456084 873521683 /nfs/dbraw/zinc/52/16/83/873521683.db2.gz WNKXECNXYOVMFY-BDXSIMOUSA-N 1 1 355.482 1.522 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](CC(=O)N2CCC[C@H](C)C2)CC1 ZINC001003650592 873922560 /nfs/dbraw/zinc/92/25/60/873922560.db2.gz XHGLVMOLTITJLO-JQHSSLGASA-N 1 1 363.502 1.417 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c(C)noc1C ZINC001003675240 874009581 /nfs/dbraw/zinc/00/95/81/874009581.db2.gz SUZAZMXDEONLRN-NCOADZHNSA-N 1 1 370.453 1.251 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c(C)noc1C ZINC001003675240 874009599 /nfs/dbraw/zinc/00/95/99/874009599.db2.gz SUZAZMXDEONLRN-NCOADZHNSA-N 1 1 370.453 1.251 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1ccccc1 ZINC001003675990 874011150 /nfs/dbraw/zinc/01/11/50/874011150.db2.gz CHSSSJNXQRETIT-ZRNYENFQSA-N 1 1 365.477 1.575 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1ccccc1 ZINC001003675990 874011168 /nfs/dbraw/zinc/01/11/68/874011168.db2.gz CHSSSJNXQRETIT-ZRNYENFQSA-N 1 1 365.477 1.575 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C3(CF)CC3)C[C@@]2(C)C1 ZINC000993068001 874099150 /nfs/dbraw/zinc/09/91/50/874099150.db2.gz IZRGTOAEAWJGFY-TXPKVOOTSA-N 1 1 361.461 1.141 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C3(CF)CC3)C[C@@]2(C)C1 ZINC000993068001 874099165 /nfs/dbraw/zinc/09/91/65/874099165.db2.gz IZRGTOAEAWJGFY-TXPKVOOTSA-N 1 1 361.461 1.141 20 30 FDEDMO C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@]2(C)C1 ZINC000993099377 874383219 /nfs/dbraw/zinc/38/32/19/874383219.db2.gz XSZSRVKVPKCTOG-SYNHAJSKSA-N 1 1 369.469 1.291 20 30 FDEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1ccc(C#N)s1 ZINC000762442919 875936302 /nfs/dbraw/zinc/93/63/02/875936302.db2.gz MFRKCWSKUYNUOH-UHFFFAOYSA-N 1 1 351.501 1.530 20 30 FDEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@]2(C)C1 ZINC000993207398 876104433 /nfs/dbraw/zinc/10/44/33/876104433.db2.gz CMDISKCNFCBQNI-QINHECLXSA-N 1 1 363.502 1.226 20 30 FDEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@]2(C)C1 ZINC000993207398 876104439 /nfs/dbraw/zinc/10/44/39/876104439.db2.gz CMDISKCNFCBQNI-QINHECLXSA-N 1 1 363.502 1.226 20 30 FDEDMO C[C@@H](OC(=O)CSCC#N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000915386476 876216652 /nfs/dbraw/zinc/21/66/52/876216652.db2.gz MEKRBCDCCKHXBO-ZBFHGGJFSA-N 1 1 361.467 1.566 20 30 FDEDMO N#Cc1ccc(Br)c(CNCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000922286335 877328411 /nfs/dbraw/zinc/32/84/11/877328411.db2.gz KCLDGWJDSPBZRW-HNNXBMFYSA-N 1 1 365.275 1.750 20 30 FDEDMO N#Cc1ccc(Br)c(C[NH2+]CCCN2CCC[C@H]2C(N)=O)c1 ZINC000922286335 877328423 /nfs/dbraw/zinc/32/84/23/877328423.db2.gz KCLDGWJDSPBZRW-HNNXBMFYSA-N 1 1 365.275 1.750 20 30 FDEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](O)c2cccc(Br)c2)C1 ZINC000923597494 877332646 /nfs/dbraw/zinc/33/26/46/877332646.db2.gz XTXDEIFZEGMSBU-CABCVRRESA-N 1 1 351.244 1.696 20 30 FDEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](O)c2cccc(Br)c2)C1 ZINC000923597494 877332663 /nfs/dbraw/zinc/33/26/63/877332663.db2.gz XTXDEIFZEGMSBU-CABCVRRESA-N 1 1 351.244 1.696 20 30 FDEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C(F)F)n(C)n3)[C@H]2C1 ZINC001083143654 912256770 /nfs/dbraw/zinc/25/67/70/912256770.db2.gz UIQPBXJCHNSIOQ-LSDHHAIUSA-N 1 1 354.401 1.849 20 30 FDEDMO Cc1[nH+]ccn1CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272492283 877646450 /nfs/dbraw/zinc/64/64/50/877646450.db2.gz FMVIYMDGOSOBIP-QGZVFWFLSA-N 1 1 366.425 1.558 20 30 FDEDMO C=C1CC(C)(C(=O)N2C[C@H]3CN(C(=O)C[N@@H+]4CC[C@H](C)C4)C[C@@]3(C)C2)C1 ZINC000993397961 877876913 /nfs/dbraw/zinc/87/69/13/877876913.db2.gz ZFULQXHWSDRHNE-XPIZARPCSA-N 1 1 359.514 1.991 20 30 FDEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cncc(-n4ccnn4)c3)[C@H]2C1 ZINC001083153652 912318912 /nfs/dbraw/zinc/31/89/12/912318912.db2.gz KMFMIMCLEHTQKS-ZWKOTPCHSA-N 1 1 368.441 1.154 20 30 FDEDMO Cc1onc(CC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)c1C#N ZINC000499850900 878232406 /nfs/dbraw/zinc/23/24/06/878232406.db2.gz ZKQXJNVEZOMCQG-UHFFFAOYSA-N 1 1 374.363 1.510 20 30 FDEDMO C#CCCOc1ccc(C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1 ZINC000922492513 878356766 /nfs/dbraw/zinc/35/67/66/878356766.db2.gz WKZVXHQYOGZXJF-UHFFFAOYSA-N 1 1 358.485 1.236 20 30 FDEDMO C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](CC4CCOCC4)C[C@@H]32)cc1 ZINC001083160866 912339222 /nfs/dbraw/zinc/33/92/22/912339222.db2.gz YKNVIYHIWHLGGT-VQTJNVASSA-N 1 1 354.450 1.620 20 30 FDEDMO C=CCN(CCOC)C(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000671385518 878645323 /nfs/dbraw/zinc/64/53/23/878645323.db2.gz QHQGMYATCZURGF-LJQANCHMSA-N 1 1 373.497 1.676 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC001032677462 912369132 /nfs/dbraw/zinc/36/91/32/912369132.db2.gz FGFBJOCVDUAOAM-LSTDLKDCSA-N 1 1 354.454 1.462 20 30 FDEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[C@@H](OC(C)(C)C)C12CCOCC2 ZINC000922628953 878851106 /nfs/dbraw/zinc/85/11/06/878851106.db2.gz HXOYKLWATYHEPA-IAGOWNOFSA-N 1 1 365.518 1.994 20 30 FDEDMO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C[C@@H](C)N1CC#N ZINC000922878690 879574520 /nfs/dbraw/zinc/57/45/20/879574520.db2.gz RTHHCSQMBDTVOF-FPAYPSAMSA-N 1 1 370.501 1.702 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)CC2(CCOCC2)C1 ZINC001089941077 912492759 /nfs/dbraw/zinc/49/27/59/912492759.db2.gz DKBUPJGFKSJNBK-KSZLIROESA-N 1 1 366.502 1.337 20 30 FDEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2O)cc1 ZINC001083842320 879889992 /nfs/dbraw/zinc/88/99/92/879889992.db2.gz HQBDFQLPONOTQE-UXHICEINSA-N 1 1 350.418 1.674 20 30 FDEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CC[C@@H]2C1 ZINC000946642510 880011885 /nfs/dbraw/zinc/01/18/85/880011885.db2.gz MXBUOGCTNBQHDV-BARDWOONSA-N 1 1 362.392 1.689 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000993932681 880086274 /nfs/dbraw/zinc/08/62/74/880086274.db2.gz RJFYIFHLIIHBNN-JQHSSLGASA-N 1 1 363.502 1.273 20 30 FDEDMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)C1 ZINC000993910368 880119765 /nfs/dbraw/zinc/11/97/65/880119765.db2.gz YROKMWBFDOIBKD-RBSFLKMASA-N 1 1 357.458 1.052 20 30 FDEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4cnc(C)n4C3)[C@H]2C1 ZINC001083178067 912556749 /nfs/dbraw/zinc/55/67/49/912556749.db2.gz ZUMYSYQRBQGFKR-NZSAHSFTSA-N 1 1 358.486 1.632 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000994084746 880626629 /nfs/dbraw/zinc/62/66/29/880626629.db2.gz RGXHBURIFNTCDG-DDBAPUKQSA-N 1 1 374.485 1.383 20 30 FDEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)CC[N@H+]1C ZINC000994093814 880648326 /nfs/dbraw/zinc/64/83/26/880648326.db2.gz YRZCMQCXUPSMGH-RRCSTGOVSA-N 1 1 357.458 1.051 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1C ZINC000994192205 880975982 /nfs/dbraw/zinc/97/59/82/880975982.db2.gz BYFWRFMKBPKYQI-KFWWJZLASA-N 1 1 367.440 1.340 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1C ZINC000994192205 880975990 /nfs/dbraw/zinc/97/59/90/880975990.db2.gz BYFWRFMKBPKYQI-KFWWJZLASA-N 1 1 367.440 1.340 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ccccc2F)C[C@H]1C ZINC000994193857 880982513 /nfs/dbraw/zinc/98/25/13/880982513.db2.gz OCIRYLWXFGHIFH-MDZRGWNJSA-N 1 1 371.456 1.748 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ccccc2F)C[C@H]1C ZINC000994193857 880982520 /nfs/dbraw/zinc/98/25/20/880982520.db2.gz OCIRYLWXFGHIFH-MDZRGWNJSA-N 1 1 371.456 1.748 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1C ZINC000994194716 880985851 /nfs/dbraw/zinc/98/58/51/880985851.db2.gz RPZNOHDHUWQEHI-BMFZPTHFSA-N 1 1 367.440 1.340 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1C ZINC000994194716 880985854 /nfs/dbraw/zinc/98/58/54/880985854.db2.gz RPZNOHDHUWQEHI-BMFZPTHFSA-N 1 1 367.440 1.340 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@H]1C ZINC000994204733 881031218 /nfs/dbraw/zinc/03/12/18/881031218.db2.gz XFQKUMBHNFCNGL-CPUCHLNUSA-N 1 1 360.433 1.076 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@H]1C ZINC000994204733 881031233 /nfs/dbraw/zinc/03/12/33/881031233.db2.gz XFQKUMBHNFCNGL-CPUCHLNUSA-N 1 1 360.433 1.076 20 30 FDEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC000994209947 881040793 /nfs/dbraw/zinc/04/07/93/881040793.db2.gz YACADSHOWYESFX-QBPKDAKJSA-N 1 1 365.518 1.519 20 30 FDEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC000994209947 881040814 /nfs/dbraw/zinc/04/08/14/881040814.db2.gz YACADSHOWYESFX-QBPKDAKJSA-N 1 1 365.518 1.519 20 30 FDEDMO COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 ZINC000265712634 912635495 /nfs/dbraw/zinc/63/54/95/912635495.db2.gz CWZYZRRPNZJPDT-MOPGFXCFSA-N 1 1 371.485 1.127 20 30 FDEDMO COCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1n1ccnn1 ZINC001128752517 883161922 /nfs/dbraw/zinc/16/19/22/883161922.db2.gz ZCNROHRKYPRJCC-MSOLQXFVSA-N 1 1 368.441 1.118 20 30 FDEDMO COCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1n1ccnn1 ZINC001128752517 883161929 /nfs/dbraw/zinc/16/19/29/883161929.db2.gz ZCNROHRKYPRJCC-MSOLQXFVSA-N 1 1 368.441 1.118 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2snnc2C)C1 ZINC001033961889 883636808 /nfs/dbraw/zinc/63/68/08/883636808.db2.gz YLDAVWVJMILGPC-ZNMIVQPWSA-N 1 1 350.488 1.860 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2snnc2C)C1 ZINC001033961889 883636819 /nfs/dbraw/zinc/63/68/19/883636819.db2.gz YLDAVWVJMILGPC-ZNMIVQPWSA-N 1 1 350.488 1.860 20 30 FDEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)ccc2C)C[C@@H]1n1ccnn1 ZINC001128812297 883701734 /nfs/dbraw/zinc/70/17/34/883701734.db2.gz UTKZFUNSIBOTQQ-MOPGFXCFSA-N 1 1 369.469 1.639 20 30 FDEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@@H]1n1ccnn1 ZINC001128812067 883702114 /nfs/dbraw/zinc/70/21/14/883702114.db2.gz OYTFDECEZYBOIK-CVEARBPZSA-N 1 1 361.471 1.126 20 30 FDEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@@H]1n1ccnn1 ZINC001128812076 883702720 /nfs/dbraw/zinc/70/27/20/883702720.db2.gz PCYSXLFHMQAOKW-MSOLQXFVSA-N 1 1 359.474 1.713 20 30 FDEDMO CCc1ccccc1C[N@H+]1C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](n2ccnn2)C1 ZINC001128830167 883756176 /nfs/dbraw/zinc/75/61/76/883756176.db2.gz NOCCYSMYEWXXER-OLMNPRSZSA-N 1 1 352.442 1.542 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cnnn2CC)C1 ZINC001034213600 883940576 /nfs/dbraw/zinc/94/05/76/883940576.db2.gz VMZDLMYLIWAPAW-NXHRZFHOSA-N 1 1 361.490 1.750 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cnnn2CC)C1 ZINC001034213600 883940581 /nfs/dbraw/zinc/94/05/81/883940581.db2.gz VMZDLMYLIWAPAW-NXHRZFHOSA-N 1 1 361.490 1.750 20 30 FDEDMO Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@@H]2O)cc1 ZINC001083988107 912776557 /nfs/dbraw/zinc/77/65/57/912776557.db2.gz PPUOXBUETLVPQW-UXHICEINSA-N 1 1 365.433 1.873 20 30 FDEDMO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@@H]2O)cc1 ZINC001083988107 912776565 /nfs/dbraw/zinc/77/65/65/912776565.db2.gz PPUOXBUETLVPQW-UXHICEINSA-N 1 1 365.433 1.873 20 30 FDEDMO C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001108124064 884088030 /nfs/dbraw/zinc/08/80/30/884088030.db2.gz YMDHBFMZLKAZEN-OLMNPRSZSA-N 1 1 364.453 1.610 20 30 FDEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccnn2CC)[C@@H](n2ccnn2)C1 ZINC001128919587 884118842 /nfs/dbraw/zinc/11/88/42/884118842.db2.gz JSZVBFZVFFEUGU-UXLLHSPISA-N 1 1 357.462 1.505 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)C2=CCCCCC2)[C@@H](n2ccnn2)C1 ZINC001128934873 884154715 /nfs/dbraw/zinc/15/47/15/884154715.db2.gz AUQPZGFYEVELEI-MSOLQXFVSA-N 1 1 359.474 1.713 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2c(C)nnn2CC)C1 ZINC001034405221 884321947 /nfs/dbraw/zinc/32/19/47/884321947.db2.gz ZAUZHCKSYYJQOZ-JZXOWHBKSA-N 1 1 361.490 1.668 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2c(C)nnn2CC)C1 ZINC001034405221 884321962 /nfs/dbraw/zinc/32/19/62/884321962.db2.gz ZAUZHCKSYYJQOZ-JZXOWHBKSA-N 1 1 361.490 1.668 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCc2nc(C)no2)C1 ZINC001034405078 884322393 /nfs/dbraw/zinc/32/23/93/884322393.db2.gz XXLDSQVQWDVBQX-ZACQAIPSSA-N 1 1 362.474 1.872 20 30 FDEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001128961366 884484427 /nfs/dbraw/zinc/48/44/27/884484427.db2.gz FFGAQNIIIWOBNV-ZIFCJYIRSA-N 1 1 355.442 1.147 20 30 FDEDMO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@@H]1n1ccnn1 ZINC001128976283 884544874 /nfs/dbraw/zinc/54/48/74/884544874.db2.gz NQRDUCPAUAVMRK-MSOLQXFVSA-N 1 1 371.510 1.973 20 30 FDEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC/C=C\CCC)C[C@@H]1n1ccnn1 ZINC001128979848 884565713 /nfs/dbraw/zinc/56/57/13/884565713.db2.gz CBYIJAPZOFKUTJ-NGQZUZBJSA-N 1 1 359.474 1.404 20 30 FDEDMO C=CC[N@H+]1C[C@@H](NC(=O)C[C@H](OCC)C2=CCCC2)[C@@H](n2ccnn2)C1 ZINC001128984961 884695598 /nfs/dbraw/zinc/69/55/98/884695598.db2.gz FFVZQVFCLBQRAT-SQNIBIBYSA-N 1 1 359.474 1.711 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C[C@H](OCC)C2=CCCC2)[C@@H](n2ccnn2)C1 ZINC001128984961 884695618 /nfs/dbraw/zinc/69/56/18/884695618.db2.gz FFVZQVFCLBQRAT-SQNIBIBYSA-N 1 1 359.474 1.711 20 30 FDEDMO O=C(C#CC1CC1)N[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@@H]1n1ccnn1 ZINC001128985887 884736512 /nfs/dbraw/zinc/73/65/12/884736512.db2.gz WTZMQWSWGDNMSO-MSOLQXFVSA-N 1 1 353.470 1.613 20 30 FDEDMO C=CCCC[C@H](C)NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000670526819 884968157 /nfs/dbraw/zinc/96/81/57/884968157.db2.gz PSNFJFHVGBIJED-KRWDZBQOSA-N 1 1 365.518 1.999 20 30 FDEDMO Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1C#N ZINC000918906294 885005824 /nfs/dbraw/zinc/00/58/24/885005824.db2.gz MITJGYZVVOXESI-GOSISDBHSA-N 1 1 355.486 1.834 20 30 FDEDMO Cc1ccc(CNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C#N ZINC000918906294 885005834 /nfs/dbraw/zinc/00/58/34/885005834.db2.gz MITJGYZVVOXESI-GOSISDBHSA-N 1 1 355.486 1.834 20 30 FDEDMO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O)c1cccnc1 ZINC001083965056 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C=CCCC[N@@H+]1C[C@@H](NC(=O)c2c(C)nsc2C)[C@@H](n2ccnn2)C1 ZINC001129465533 938428431 /nfs/dbraw/zinc/42/84/31/938428431.db2.gz JZZJNNWVNVSWCP-CABCVRRESA-N 1 1 360.487 1.973 20 30 FDEDMO C#CCC1(C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2n2ccnn2)CCCCC1 ZINC001129476453 938432502 /nfs/dbraw/zinc/43/25/02/938432502.db2.gz IUBUKAFWSRBGJH-SJORKVTESA-N 1 1 361.465 1.953 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)n(C(C)C)n2)[C@@H](n2ccnn2)C1 ZINC001129490652 938441882 /nfs/dbraw/zinc/44/18/82/938441882.db2.gz IDKSZADVZUVNBS-MSOLQXFVSA-N 1 1 371.489 1.985 20 30 FDEDMO C=CCC[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)c1ccccc1 ZINC001129490355 938441938 /nfs/dbraw/zinc/44/19/38/938441938.db2.gz CTPOOLRWCSLPQF-OTWHNJEPSA-N 1 1 369.469 1.362 20 30 FDEDMO C=CCC[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)c1ccccc1 ZINC001129490355 938441940 /nfs/dbraw/zinc/44/19/40/938441940.db2.gz CTPOOLRWCSLPQF-OTWHNJEPSA-N 1 1 369.469 1.362 20 30 FDEDMO CO[C@@H](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C#N)[C@@H](n2ccnn2)C1 ZINC001129675875 938490719 /nfs/dbraw/zinc/49/07/19/938490719.db2.gz ZLEMLTBKOGUQFV-QGTPRVQTSA-N 1 1 368.441 1.116 20 30 FDEDMO C#CCCCCC(=O)N1C[C@@H]([NH2+]Cc2ocnc2C)[C@@H](n2ccnn2)C1 ZINC001129778294 938513985 /nfs/dbraw/zinc/51/39/85/938513985.db2.gz SHHHSDBJEYQDGI-CVEARBPZSA-N 1 1 356.430 1.310 20 30 FDEDMO C=C(C)CCC(=O)N1C[C@@H]([NH2+][C@@H](C)c2cnc(C)cn2)[C@@H](n2ccnn2)C1 ZINC001129879080 938536523 /nfs/dbraw/zinc/53/65/23/938536523.db2.gz QPDLPGVTOIGLFS-JQHSSLGASA-N 1 1 369.473 1.836 20 30 FDEDMO C=C[C@@H](CC)CC(=O)N1C[C@@H]([NH2+]Cc2conc2C)[C@@H](n2ccnn2)C1 ZINC001129978208 938594071 /nfs/dbraw/zinc/59/40/71/938594071.db2.gz VTZDKIBQGLJBEH-UAGQMJEPSA-N 1 1 358.446 1.719 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)C[C@@H]1n1ccnn1 ZINC001130044109 938643287 /nfs/dbraw/zinc/64/32/87/938643287.db2.gz QHSTYRZTYUMSLA-MSOLQXFVSA-N 1 1 360.506 1.155 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@@H]1n1ccnn1 ZINC001130044109 938643289 /nfs/dbraw/zinc/64/32/89/938643289.db2.gz QHSTYRZTYUMSLA-MSOLQXFVSA-N 1 1 360.506 1.155 20 30 FDEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCOC)n1 ZINC001130175257 938723886 /nfs/dbraw/zinc/72/38/86/938723886.db2.gz GHNXBWGRMXEXSL-ILXRZTDVSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCOC)n[nH]1 ZINC001130175257 938723889 /nfs/dbraw/zinc/72/38/89/938723889.db2.gz GHNXBWGRMXEXSL-ILXRZTDVSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccccc2F)n1 ZINC001130177457 938725001 /nfs/dbraw/zinc/72/50/01/938725001.db2.gz BBJRORQVMNIJRL-ZFWWWQNUSA-N 1 1 359.405 1.522 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccccc2F)n[nH]1 ZINC001130177457 938725002 /nfs/dbraw/zinc/72/50/02/938725002.db2.gz BBJRORQVMNIJRL-ZFWWWQNUSA-N 1 1 359.405 1.522 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2cccs2)n1 ZINC001130177613 938725204 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VYYOGJQEAUIDIV-ILXRZTDVSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCc2ccoc2)n1 ZINC001130198358 938740317 /nfs/dbraw/zinc/74/03/17/938740317.db2.gz HUQHDPVTDNPZTG-GJZGRUSLSA-N 1 1 359.430 1.295 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCc2ccoc2)n[nH]1 ZINC001130198358 938740319 /nfs/dbraw/zinc/74/03/19/938740319.db2.gz HUQHDPVTDNPZTG-GJZGRUSLSA-N 1 1 359.430 1.295 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(C)(C)C2CC2)[nH]1 ZINC001130207835 938746867 /nfs/dbraw/zinc/74/68/67/938746867.db2.gz RTEOYGYEIXVRBJ-GJZGRUSLSA-N 1 1 359.474 1.343 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2sccc2F)[nH]1 ZINC001130207677 938747044 /nfs/dbraw/zinc/74/70/44/938747044.db2.gz LZEYWMPMETWDPL-JQWIXIFHSA-N 1 1 363.418 1.031 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccoc2Cl)[nH]1 ZINC001130210081 938748033 /nfs/dbraw/zinc/74/80/33/938748033.db2.gz VTIVFJZTRNOHHW-JQWIXIFHSA-N 1 1 363.805 1.076 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@]2(C)CC=CCC2)[nH]1 ZINC001130213271 938750303 /nfs/dbraw/zinc/75/03/03/938750303.db2.gz XDCCWDHDEYCPIG-DOXZYTNZSA-N 1 1 357.458 1.263 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)CC(F)F)[nH]1 ZINC001130216001 938752288 /nfs/dbraw/zinc/75/22/88/938752288.db2.gz LYPJTTJBVZHCPQ-AVGNSLFASA-N 1 1 369.416 1.198 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC(F)(F)C2)n1 ZINC001130216127 938752672 /nfs/dbraw/zinc/75/26/72/938752672.db2.gz NGFGSVPAANJBMS-AGIUHOORSA-N 1 1 369.416 1.504 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CCC(F)(F)C2)n[nH]1 ZINC001130216127 938752675 /nfs/dbraw/zinc/75/26/75/938752675.db2.gz NGFGSVPAANJBMS-AGIUHOORSA-N 1 1 369.416 1.504 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H]2CC=CCC2)n1 ZINC001130230441 938764297 /nfs/dbraw/zinc/76/42/97/938764297.db2.gz WFKLFBNGEGOPQK-JYJNAYRXSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H]2CC=CCC2)n[nH]1 ZINC001130230441 938764298 /nfs/dbraw/zinc/76/42/98/938764298.db2.gz WFKLFBNGEGOPQK-JYJNAYRXSA-N 1 1 359.474 1.815 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CF)CC2)[nH]1 ZINC001130234672 938765859 /nfs/dbraw/zinc/76/58/59/938765859.db2.gz HIWUDTYVMUQGFR-RYUDHWBXSA-N 1 1 371.844 1.385 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)n1 ZINC001130234890 938766181 /nfs/dbraw/zinc/76/61/81/938766181.db2.gz NUDYNBUFWSABLS-OTJKEOIZSA-N 1 1 359.474 1.505 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)n[nH]1 ZINC001130234890 938766183 /nfs/dbraw/zinc/76/61/83/938766183.db2.gz NUDYNBUFWSABLS-OTJKEOIZSA-N 1 1 359.474 1.505 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2C2CC2)n1 ZINC001130242025 938769277 /nfs/dbraw/zinc/76/92/77/938769277.db2.gz ABVSKLOFLPSTLM-JONQDZQNSA-N 1 1 359.474 1.505 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]2C2CC2)n[nH]1 ZINC001130242025 938769279 /nfs/dbraw/zinc/76/92/79/938769279.db2.gz ABVSKLOFLPSTLM-JONQDZQNSA-N 1 1 359.474 1.505 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCc2ccccc2)n1 ZINC001130247110 938772093 /nfs/dbraw/zinc/77/20/93/938772093.db2.gz VJDFVWYKUSPBSY-IRXDYDNUSA-N 1 1 369.469 1.702 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCc2ccccc2)n[nH]1 ZINC001130247110 938772095 /nfs/dbraw/zinc/77/20/95/938772095.db2.gz VJDFVWYKUSPBSY-IRXDYDNUSA-N 1 1 369.469 1.702 20 30 FDEDMO C=CCO[C@@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCC)n[nH]1 ZINC001130251097 938774338 /nfs/dbraw/zinc/77/43/38/938774338.db2.gz AXUVQMNGAUQEHJ-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCC)n1 ZINC001130251097 938774339 /nfs/dbraw/zinc/77/43/39/938774339.db2.gz AXUVQMNGAUQEHJ-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=C(Cl)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COC(C)C)CC1 ZINC001130278863 938789076 /nfs/dbraw/zinc/78/90/76/938789076.db2.gz HSOWMOXEJSMTIA-QAPCUYQASA-N 1 1 371.909 1.639 20 30 FDEDMO C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC001130578619 939891677 /nfs/dbraw/zinc/89/16/77/939891677.db2.gz WGAHEPJLRNQYFS-PKOBYXMFSA-N 1 1 368.485 1.350 20 30 FDEDMO C=CC(C)(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001130605010 939916318 /nfs/dbraw/zinc/91/63/18/939916318.db2.gz UVMNGYMJWPMXIK-GOEBONIOSA-N 1 1 371.489 1.235 20 30 FDEDMO CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn3cncc3c2)C[C@H]1c1cn(C)cn1 ZINC001130622206 939920875 /nfs/dbraw/zinc/92/08/75/939920875.db2.gz WYNLUFOIENFQNC-PKOBYXMFSA-N 1 1 362.437 1.289 20 30 FDEDMO C#CCC[NH2+][C@@H]1CN(C(=O)c2occc2CN(C)C)C[C@H]1c1cn(C)cn1 ZINC001130654238 939947936 /nfs/dbraw/zinc/94/79/36/939947936.db2.gz BAGAJIBDILSZHL-FUHWJXTLSA-N 1 1 369.469 1.296 20 30 FDEDMO C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ncnn2CC)C1 ZINC001130664724 939957861 /nfs/dbraw/zinc/95/78/61/939957861.db2.gz ZLTPHJBNEOUXJN-DOTOQJQBSA-N 1 1 371.489 1.472 20 30 FDEDMO C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCCO1 ZINC000806788977 940050301 /nfs/dbraw/zinc/05/03/01/940050301.db2.gz ZZSFNGIBFCLCSQ-OKZBNKHCSA-N 1 1 361.486 1.197 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C=Cc3ccco3)n[nH]2)O1 ZINC001130746284 940050942 /nfs/dbraw/zinc/05/09/42/940050942.db2.gz AGJAHQSSZFRCOB-NEFCLYRVSA-N 1 1 355.398 1.170 20 30 FDEDMO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c1 ZINC000806806262 940059766 /nfs/dbraw/zinc/05/97/66/940059766.db2.gz ANECWSIBVSHLTQ-QGZVFWFLSA-N 1 1 374.485 1.966 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCCOC)n[nH]2)O1 ZINC001130767205 940100895 /nfs/dbraw/zinc/10/08/95/940100895.db2.gz CKMNDRQURNTTHU-UONOGXRCSA-N 1 1 351.451 1.233 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H](C)OC)n[nH]2)O1 ZINC001130769589 940107035 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367.515 1.812 20 30 FDEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCSCC)C1 ZINC001131301041 940546881 /nfs/dbraw/zinc/54/68/81/940546881.db2.gz JRISDTSCTRQLFU-XHSDSOJGSA-N 1 1 365.499 1.259 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCSCC)C1 ZINC001131301041 940546882 /nfs/dbraw/zinc/54/68/82/940546882.db2.gz JRISDTSCTRQLFU-XHSDSOJGSA-N 1 1 365.499 1.259 20 30 FDEDMO C=CCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCOCC)C[C@H]32)C1 ZINC001131303697 940547593 /nfs/dbraw/zinc/54/75/93/940547593.db2.gz CNCFCVKEHAYQIN-XHSDSOJGSA-N 1 1 351.447 1.095 20 30 FDEDMO C=CCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CCOCC)C[C@H]32)C1 ZINC001131303697 940547595 /nfs/dbraw/zinc/54/75/95/940547595.db2.gz CNCFCVKEHAYQIN-XHSDSOJGSA-N 1 1 351.447 1.095 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)COCCCC)C1 ZINC001131304224 940547800 /nfs/dbraw/zinc/54/78/00/940547800.db2.gz ILGVYLMFDUINRZ-ZACQAIPSSA-N 1 1 365.474 1.485 20 30 FDEDMO 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ZINC000329300028 824721805 /nfs/dbraw/zinc/72/18/05/824721805.db2.gz VJJWUWYYVMWQNT-MOPGFXCFSA-N 1 1 374.533 1.952 20 30 FDEDMO Cn1cncc1[C@H]1[C@H](NC(=O)N2CCC[N@@H+](C)CC2)CCC(=O)N1C1CC1 ZINC000329320600 824736615 /nfs/dbraw/zinc/73/66/15/824736615.db2.gz IZIPCGUERAVAMD-CRAIPNDOSA-N 1 1 374.489 1.166 20 30 FDEDMO Cc1cc(C)nc(N2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)n1 ZINC000329447032 824795891 /nfs/dbraw/zinc/79/58/91/824795891.db2.gz LGFQBKLBRFETNM-SJORKVTESA-N 1 1 358.490 1.756 20 30 FDEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000329475750 824821169 /nfs/dbraw/zinc/82/11/69/824821169.db2.gz PDCZSYUVKIAUGK-HZPDHXFCSA-N 1 1 360.458 1.712 20 30 FDEDMO Cn1ncc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1C#N ZINC000474959380 824849738 /nfs/dbraw/zinc/84/97/38/824849738.db2.gz GAVCERGBNYOJOH-UHFFFAOYSA-N 1 1 359.380 1.964 20 30 FDEDMO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)C1 ZINC000329568319 824887998 /nfs/dbraw/zinc/88/79/98/824887998.db2.gz HZTOVKIOKOQSPQ-SJORKVTESA-N 1 1 360.506 1.989 20 30 FDEDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)C1 ZINC000329588854 824904166 /nfs/dbraw/zinc/90/41/66/824904166.db2.gz SLTXDCJFYAIQEU-HNNXBMFYSA-N 1 1 357.458 1.996 20 30 FDEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001087990470 824933318 /nfs/dbraw/zinc/93/33/18/824933318.db2.gz GXWFQIXYPXPHIE-IPELMVKDSA-N 1 1 366.465 1.365 20 30 FDEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC(F)(F)F)c3)C[C@@H]2C1 ZINC001087994864 824970118 /nfs/dbraw/zinc/97/01/18/824970118.db2.gz HIWFDRPIRGGTDL-HIFRSBDPSA-N 1 1 354.376 1.863 20 30 FDEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)C[C@@H]2C1 ZINC001087999977 825057483 /nfs/dbraw/zinc/05/74/83/825057483.db2.gz KAUARSSBFCXYAH-SFNKJDCFSA-N 1 1 358.486 1.947 20 30 FDEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cccnc3C)CC[C@@H]2C1 ZINC001087998230 825076421 /nfs/dbraw/zinc/07/64/21/825076421.db2.gz YCLSCUUBOXJLHP-HKBOAZHASA-N 1 1 366.509 1.768 20 30 FDEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[C@@H]3N3CCCC3=O)C[C@@H]2C1 ZINC001087998936 825080962 /nfs/dbraw/zinc/08/09/62/825080962.db2.gz LYBUZOYPLJYIFS-WCIQWLHISA-N 1 1 371.525 1.971 20 30 FDEDMO C=C(Br)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc[nH]c3=O)C[C@@H]2C1 ZINC001088006800 825167675 /nfs/dbraw/zinc/16/76/75/825167675.db2.gz ZRHJHQDUJDRFRD-NEPJUHHUSA-N 1 1 367.247 1.485 20 30 FDEDMO C=C(Br)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnc[nH]c3=O)C[C@@H]2C1 ZINC001088006800 825167678 /nfs/dbraw/zinc/16/76/78/825167678.db2.gz ZRHJHQDUJDRFRD-NEPJUHHUSA-N 1 1 367.247 1.485 20 30 FDEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccnn3CCOC)C[C@@H]2C1 ZINC001088006752 825168095 /nfs/dbraw/zinc/16/80/95/825168095.db2.gz WWYXVKFXJPHMFN-CABCVRRESA-N 1 1 352.866 1.676 20 30 FDEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnn3CCOC)C[C@@H]2C1 ZINC001088006752 825168097 /nfs/dbraw/zinc/16/80/97/825168097.db2.gz WWYXVKFXJPHMFN-CABCVRRESA-N 1 1 352.866 1.676 20 30 FDEDMO C=CCOc1ccccc1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088016843 825276069 /nfs/dbraw/zinc/27/60/69/825276069.db2.gz YRBMKNIWECIOHR-SOLBZPMBSA-N 1 1 369.465 1.534 20 30 FDEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(n3)OCCO4)C[C@@H]2C1 ZINC001088026616 825404992 /nfs/dbraw/zinc/40/49/92/825404992.db2.gz SYNXAENCRRCZMU-KGLIPLIRSA-N 1 1 363.845 1.999 20 30 FDEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(n3)OCCO4)C[C@@H]2C1 ZINC001088026616 825404994 /nfs/dbraw/zinc/40/49/94/825404994.db2.gz SYNXAENCRRCZMU-KGLIPLIRSA-N 1 1 363.845 1.999 20 30 FDEDMO N#Cc1ccc([C@H]2CN(c3nc(N4CCOCC4)cc[nH+]3)CCO2)cc1 ZINC000896871432 825431677 /nfs/dbraw/zinc/43/16/77/825431677.db2.gz BLWDJCKUNBJPBR-QGZVFWFLSA-N 1 1 351.410 1.763 20 30 FDEDMO Cc1cc(C)n(C[C@@H]2CN(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)CCO2)n1 ZINC000329775136 825446764 /nfs/dbraw/zinc/44/67/64/825446764.db2.gz MVXMRUSPTQJCPR-DOPJRALCSA-N 1 1 361.490 1.597 20 30 FDEDMO CO[C@@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1NC(=O)CSCC#N ZINC001211888766 825517515 /nfs/dbraw/zinc/51/75/15/825517515.db2.gz NVYBMRJLGKRDCL-BFHYXJOUSA-N 1 1 361.458 1.884 20 30 FDEDMO Cc1noc([C@H]2C[C@@H](O)CN2C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000329910297 825543020 /nfs/dbraw/zinc/54/30/20/825543020.db2.gz NEKOBZDFVXJVHV-STGWMILLSA-N 1 1 365.478 1.766 20 30 FDEDMO CO[C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@H]1NC(=O)CSCC#N ZINC001211888916 825543512 /nfs/dbraw/zinc/54/35/12/825543512.db2.gz UKQAHQQFPNUBLY-IAGOWNOFSA-N 1 1 369.531 1.798 20 30 FDEDMO CO[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@H]1NC(=O)CSCC#N ZINC001211888916 825543519 /nfs/dbraw/zinc/54/35/19/825543519.db2.gz UKQAHQQFPNUBLY-IAGOWNOFSA-N 1 1 369.531 1.798 20 30 FDEDMO CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2noc(C)n2)C1 ZINC000329926506 825546076 /nfs/dbraw/zinc/54/60/76/825546076.db2.gz WFHHWFXFAWQCQE-ZNMIVQPWSA-N 1 1 368.457 1.278 20 30 FDEDMO O=C(CN1CC[N@H+]2CCCC[C@H]2C1)Nc1cc(-n2cnnn2)ccc1F ZINC000329931857 825550494 /nfs/dbraw/zinc/55/04/94/825550494.db2.gz IMUYILMKBHMICP-AWEZNQCLSA-N 1 1 359.409 1.560 20 30 FDEDMO CC(=O)N1CC[C@H](NC(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000329940686 825556145 /nfs/dbraw/zinc/55/61/45/825556145.db2.gz BUFIZJAZDSVOFS-JZXOWHBKSA-N 1 1 365.522 1.012 20 30 FDEDMO CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CCNC(=O)C2)cc[nH+]1 ZINC000329950810 825561103 /nfs/dbraw/zinc/56/11/03/825561103.db2.gz MNPOGKOBLVWOFN-AGIUHOORSA-N 1 1 364.425 1.782 20 30 FDEDMO Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@H](C)N2CC[NH+](C)CC2)on1 ZINC000329974136 825572153 /nfs/dbraw/zinc/57/21/53/825572153.db2.gz ZYPULCSDMCURQU-JYJNAYRXSA-N 1 1 367.469 1.488 20 30 FDEDMO CC(=O)N1CC[C@H](NC(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC000329981827 825577273 /nfs/dbraw/zinc/57/72/73/825577273.db2.gz OAEVKBYRCNHUPF-BEFAXECRSA-N 1 1 374.485 1.532 20 30 FDEDMO CC(=O)N1CC[C@H](NC(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC000329981827 825577278 /nfs/dbraw/zinc/57/72/78/825577278.db2.gz OAEVKBYRCNHUPF-BEFAXECRSA-N 1 1 374.485 1.532 20 30 FDEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000329990969 825584414 /nfs/dbraw/zinc/58/44/14/825584414.db2.gz WNAUYYVSNBETPX-CABCVRRESA-N 1 1 363.510 1.205 20 30 FDEDMO C[C@]1(C(=O)N2C[C@@H]3C[N@H+](CC#Cc4ccccc4)CC[C@@H]3C2)CNC(=O)C1 ZINC001088050319 825598215 /nfs/dbraw/zinc/59/82/15/825598215.db2.gz BCDIBOLLHVXHDL-XQBPLPMBSA-N 1 1 365.477 1.345 20 30 FDEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3CC(F)F)C[C@@H]2C1 ZINC001088053429 825643485 /nfs/dbraw/zinc/64/34/85/825643485.db2.gz IFIKFVIFDSDKBB-PMPSAXMXSA-N 1 1 357.445 1.309 20 30 FDEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C[C@@H]2C1 ZINC001088053713 825652273 /nfs/dbraw/zinc/65/22/73/825652273.db2.gz WDXYPBBSCJYBDT-LTIDMASMSA-N 1 1 369.893 1.155 20 30 FDEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C[C@@H]2C1 ZINC001088053713 825652276 /nfs/dbraw/zinc/65/22/76/825652276.db2.gz WDXYPBBSCJYBDT-LTIDMASMSA-N 1 1 369.893 1.155 20 30 FDEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccccc1COC1CCOCC1 ZINC000330181569 825708868 /nfs/dbraw/zinc/70/88/68/825708868.db2.gz OEVORZBKNDUPHO-KRWDZBQOSA-N 1 1 361.486 1.933 20 30 FDEDMO CC(C)[NH+]1CCC(N2CCN(C([O-])=[NH+][C@@H]3CCn4ccnc4C3)CC2)CC1 ZINC000330185144 825710798 /nfs/dbraw/zinc/71/07/98/825710798.db2.gz IYUNPKHYDINKQD-QGZVFWFLSA-N 1 1 374.533 1.602 20 30 FDEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(C)c3-n3cccc3)C[C@@H]2C1 ZINC001088061084 825727604 /nfs/dbraw/zinc/72/76/04/825727604.db2.gz MEYQRJWMRDIVQP-SJORKVTESA-N 1 1 351.454 1.628 20 30 FDEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(C)c3-n3cccc3)C[C@@H]2C1 ZINC001088061202 825728877 /nfs/dbraw/zinc/72/88/77/825728877.db2.gz SOIVINHIMOSEPC-SJORKVTESA-N 1 1 351.454 1.628 20 30 FDEDMO CC[C@@H]1CN(C(=O)N[C@H](C)c2nnc3n2CCC3)C[C@@H]1[NH+]1CCOCC1 ZINC000330219254 825737951 /nfs/dbraw/zinc/73/79/51/825737951.db2.gz JZNCCYKCVBGFSG-KFWWJZLASA-N 1 1 362.478 1.242 20 30 FDEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(C)c(C)n[nH]c3=O)C[C@@H]2C1 ZINC001088061377 825743976 /nfs/dbraw/zinc/74/39/76/825743976.db2.gz CJLZUYYBRPVXQY-KGLIPLIRSA-N 1 1 350.850 1.945 20 30 FDEDMO C[C@H](C(=O)NC1(C#N)CCC1)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000526055502 828819938 /nfs/dbraw/zinc/81/99/38/828819938.db2.gz PRVBGXWDUFZCFD-IXDOHACOSA-N 1 1 362.518 1.759 20 30 FDEDMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@@]1(C)CCCO1 ZINC000330265603 825781017 /nfs/dbraw/zinc/78/10/17/825781017.db2.gz ZLPPFYHCBPPVPH-VQIMIIECSA-N 1 1 361.490 1.665 20 30 FDEDMO C=CCN1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1=O ZINC000281569658 826059365 /nfs/dbraw/zinc/05/93/65/826059365.db2.gz AQZARICQUJBXDZ-OALUTQOASA-N 1 1 371.481 1.430 20 30 FDEDMO NC(=O)C1(C(=O)N2C[C@@H]3C[N@H+](CC#Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001088088753 826321256 /nfs/dbraw/zinc/32/12/56/826321256.db2.gz KROXUIDCDIHGEN-MSOLQXFVSA-N 1 1 351.450 1.084 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)c4conc4C)C[C@@H]3C2)C1=O ZINC001088089922 826326010 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FJIURPDBBGNOIN-GOSISDBHSA-N 1 1 373.453 1.325 20 30 FDEDMO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC000842147468 844972623 /nfs/dbraw/zinc/97/26/23/844972623.db2.gz FJIURPDBBGNOIN-GOSISDBHSA-N 1 1 373.453 1.325 20 30 FDEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000667680909 845324835 /nfs/dbraw/zinc/32/48/35/845324835.db2.gz VUMGVNUWJFHAKN-IBGZPJMESA-N 1 1 373.501 1.181 20 30 FDEDMO N#Cc1ccc(C2CC[NH+]([C@@H]3CC(=O)N(c4cnccn4)C3=O)CC2)cc1 ZINC000899247917 845993629 /nfs/dbraw/zinc/99/36/29/845993629.db2.gz RSGQAYWERSCKOB-QGZVFWFLSA-N 1 1 361.405 1.860 20 30 FDEDMO Cc1cc(C(=O)NC[C@]2(CO)COCC[NH2+]2)c(C)n1-c1ccc(C#N)cc1 ZINC000913187307 861635258 /nfs/dbraw/zinc/63/52/58/861635258.db2.gz AJVDMRNZQAWDQS-FQEVSTJZSA-N 1 1 368.437 1.047 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc[nH]c3C3CC3)[C@H]2C)C1=O ZINC001088822596 846227448 /nfs/dbraw/zinc/22/74/48/846227448.db2.gz ZPPMHGGVTKBBAT-XOKHGSTOSA-N 1 1 356.470 1.872 20 30 FDEDMO 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N#Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4cnc[nH]4)[C@@H]3C2)ccc1F ZINC001076294696 847795672 /nfs/dbraw/zinc/79/56/72/847795672.db2.gz ZCZGCURKWOVOPO-KBXCAEBGSA-N 1 1 353.401 1.696 20 30 FDEDMO N#Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)Cc4cnc[nH]4)[C@@H]3C2)ccc1F ZINC001076294696 847795681 /nfs/dbraw/zinc/79/56/81/847795681.db2.gz ZCZGCURKWOVOPO-KBXCAEBGSA-N 1 1 353.401 1.696 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cc(C5CC5)no4)[C@@H]3C2)C1=O ZINC001076309141 847826296 /nfs/dbraw/zinc/82/62/96/847826296.db2.gz AIXSNROHFJAENE-BHYGNILZSA-N 1 1 370.453 1.485 20 30 FDEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(CO)cc4)C[C@H]32)nn1 ZINC001076336018 847881249 /nfs/dbraw/zinc/88/12/49/847881249.db2.gz HAKFPYSFDDBZNO-PKOBYXMFSA-N 1 1 367.453 1.303 20 30 FDEDMO C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccnn4C)C[C@H]32)cc1 ZINC001076333530 847908491 /nfs/dbraw/zinc/90/84/91/847908491.db2.gz DVWKWEGJUXKYFX-FXAWDEMLSA-N 1 1 364.449 1.779 20 30 FDEDMO 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ZINC001084956454 918799145 /nfs/dbraw/zinc/79/91/45/918799145.db2.gz NJYMAMGLCNCMLZ-MCIONIFRSA-N 1 1 370.291 1.344 20 30 FDEDMO CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn4c(n3)C[C@@H](OC)CC4)C[C@@H]21 ZINC001084969240 918956933 /nfs/dbraw/zinc/95/69/33/918956933.db2.gz BDEPFCVFYSGRRS-RYRKJORJSA-N 1 1 356.470 1.404 20 30 FDEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4ccccn4c3=O)C[C@@H]21 ZINC001084973252 918989234 /nfs/dbraw/zinc/98/92/34/918989234.db2.gz CBOHBVQSSJUDEU-WBVHZDCISA-N 1 1 350.422 1.254 20 30 FDEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4[nH]c(=O)[nH]c4c3)C[C@@H]21 ZINC001084976298 919014102 /nfs/dbraw/zinc/01/41/02/919014102.db2.gz CFYKKHRSFFQPRU-RISCZKNCSA-N 1 1 361.833 1.952 20 30 FDEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cnc4[nH]c(=O)[nH]c4c3)C[C@@H]21 ZINC001084976298 919014117 /nfs/dbraw/zinc/01/41/17/919014117.db2.gz CFYKKHRSFFQPRU-RISCZKNCSA-N 1 1 361.833 1.952 20 30 FDEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccnc(N4CCCC4)n3)C[C@@H]21 ZINC001084974938 919045920 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RWQQSFXDRBXWGO-PBHICJAKSA-N 1 1 353.426 1.635 20 30 FDEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cncn4)nc3)C[C@@H]21 ZINC001085002565 919490167 /nfs/dbraw/zinc/49/01/67/919490167.db2.gz QCSQLCZJNLLMLX-WBVHZDCISA-N 1 1 350.426 1.222 20 30 FDEDMO Cn1c(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4)[C@H]3C2)c[nH]c1=O ZINC001085006220 919570139 /nfs/dbraw/zinc/57/01/39/919570139.db2.gz GDJYSCFYMFVMJK-AEFFLSMTSA-N 1 1 365.437 1.734 20 30 FDEDMO O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@H]2C1 ZINC001085009762 919601865 /nfs/dbraw/zinc/60/18/65/919601865.db2.gz ZLEYLGQBVVFAMS-MJCUULBUSA-N 1 1 350.462 1.853 20 30 FDEDMO CC(C)(C)[N@H+]1CCCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1 ZINC000732466533 919652461 /nfs/dbraw/zinc/65/24/61/919652461.db2.gz OOSNXFTYYRCHMU-FOCLMDBBSA-N 1 1 363.462 1.029 20 30 FDEDMO Cn1cc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccccc4C#N)[C@H]3C2)[nH]c1=O ZINC001085022741 919776615 /nfs/dbraw/zinc/77/66/15/919776615.db2.gz IVMPRRCRRUNHGJ-KDOFPFPSSA-N 1 1 365.437 1.734 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnc(C)cn3)[C@H]2C1 ZINC001085038004 919967247 /nfs/dbraw/zinc/96/72/47/919967247.db2.gz QATTYTHLXBULRF-YSHGAJCASA-N 1 1 356.470 1.799 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cnc(C)cn3)[C@H]2C1 ZINC001085038004 919967252 /nfs/dbraw/zinc/96/72/52/919967252.db2.gz QATTYTHLXBULRF-YSHGAJCASA-N 1 1 356.470 1.799 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cnc(C)nc3)[C@H]2C1 ZINC001085038084 919967311 /nfs/dbraw/zinc/96/73/11/919967311.db2.gz VGVSERZKGVHUNO-YRXWBPOGSA-N 1 1 356.470 1.799 20 30 FDEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1 ZINC000732871054 920275889 /nfs/dbraw/zinc/27/58/89/920275889.db2.gz BQIZUJMPEPVUEW-MOPGFXCFSA-N 1 1 371.481 1.969 20 30 FDEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)C[C@@H]21 ZINC001085070228 920444745 /nfs/dbraw/zinc/44/47/45/920444745.db2.gz SMHZDMRITIUESK-OAGGEKHMSA-N 1 1 353.894 1.920 20 30 FDEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)C[C@@H]21 ZINC001085070228 920444750 /nfs/dbraw/zinc/44/47/50/920444750.db2.gz SMHZDMRITIUESK-OAGGEKHMSA-N 1 1 353.894 1.920 20 30 FDEDMO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCOC4)C[C@@H]21 ZINC001085072321 920487625 /nfs/dbraw/zinc/48/76/25/920487625.db2.gz SVXCETHULQILQT-KDOFPFPSSA-N 1 1 357.454 1.972 20 30 FDEDMO CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(NC(=O)NC)c3)C[C@@H]21 ZINC001085074457 920529136 /nfs/dbraw/zinc/52/91/36/920529136.db2.gz GCMRRBUYQNVRMJ-QAPCUYQASA-N 1 1 354.454 1.998 20 30 FDEDMO Cn1cncc1CC(=O)N1CC[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@H]2C1 ZINC001085074840 920534532 /nfs/dbraw/zinc/53/45/32/920534532.db2.gz FJVGTALVFHFYSL-CTNGQTDRSA-N 1 1 362.477 1.937 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cnc(C)cn4)[C@H]3C2)cn1 ZINC001085078262 920539568 /nfs/dbraw/zinc/53/95/68/920539568.db2.gz KYKATLOCARXVHA-UZLBHIALSA-N 1 1 361.449 1.898 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](Cc4cnc(C)cn4)[C@H]3C2)cn1 ZINC001085078262 920539584 /nfs/dbraw/zinc/53/95/84/920539584.db2.gz KYKATLOCARXVHA-UZLBHIALSA-N 1 1 361.449 1.898 20 30 FDEDMO N#Cc1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)N4)C[C@@H]32)ccc1F ZINC001085078658 920545383 /nfs/dbraw/zinc/54/53/83/920545383.db2.gz FNQZWLLQJOVISI-JLSDUUJJSA-N 1 1 370.428 1.399 20 30 FDEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C(=O)N(C)C)cc3)C[C@@H]21 ZINC001085077480 920576580 /nfs/dbraw/zinc/57/65/80/920576580.db2.gz DSSPRBILDKQJGN-APWZRJJASA-N 1 1 353.466 1.948 20 30 FDEDMO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@@H]21 ZINC001085088723 920765673 /nfs/dbraw/zinc/76/56/73/920765673.db2.gz ZIYRPNCQPNFKMF-QAPCUYQASA-N 1 1 352.442 1.775 20 30 FDEDMO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(Cc4ccccc4C#N)[C@H]3C2)C1 ZINC001085092667 920805200 /nfs/dbraw/zinc/80/52/00/920805200.db2.gz LCLIXBXRCSBDNT-UXPWSPDFSA-N 1 1 352.482 1.933 20 30 FDEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(Cc4ccccc4C#N)[C@H]3C2)C1 ZINC001085092667 920805212 /nfs/dbraw/zinc/80/52/12/920805212.db2.gz LCLIXBXRCSBDNT-UXPWSPDFSA-N 1 1 352.482 1.933 20 30 FDEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)COc3cccc(C(N)=O)c3)C[C@@H]21 ZINC001085099485 920902656 /nfs/dbraw/zinc/90/26/56/920902656.db2.gz VVMHTQGCZBNPIJ-QAPCUYQASA-N 1 1 357.454 1.663 20 30 FDEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(=O)C(C)C)C[C@@H]21 ZINC001085099675 920905571 /nfs/dbraw/zinc/90/55/71/920905571.db2.gz FODMVEZTTINWIQ-QYZOEREBSA-N 1 1 359.514 1.970 20 30 FDEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC3CCN(C(C)=O)CC3)C[C@@H]21 ZINC001085098356 920933146 /nfs/dbraw/zinc/93/31/46/920933146.db2.gz MWXSISPWZBRDPO-UXHICEINSA-N 1 1 359.514 1.971 20 30 FDEDMO CC(C)n1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001085164166 921913219 /nfs/dbraw/zinc/91/32/19/921913219.db2.gz SEHAUCMIGGXWQF-HUUCEWRRSA-N 1 1 355.446 1.890 20 30 FDEDMO CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001085171705 921981282 /nfs/dbraw/zinc/98/12/82/921981282.db2.gz ACGYMTGJUPVJSC-ZIAGYGMSSA-N 1 1 356.434 1.114 20 30 FDEDMO C=CCC1(C(=O)N2CCO[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CCC1 ZINC001065581438 922364145 /nfs/dbraw/zinc/36/41/45/922364145.db2.gz GMRISZRFXIGVJU-BRWVUGGUSA-N 1 1 363.502 1.417 20 30 FDEDMO C=CCCC1(C(=O)N2CCO[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001065581629 922364744 /nfs/dbraw/zinc/36/47/44/922364744.db2.gz KJFQIULQJMGTPW-IXDOHACOSA-N 1 1 363.502 1.417 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@H+](CCO)CCCCOC)CC1 ZINC001098368427 923305528 /nfs/dbraw/zinc/30/55/28/923305528.db2.gz NIWFGAZNYOOQBR-MOPGFXCFSA-N 1 1 368.518 1.680 20 30 FDEDMO C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C2CC2)c1 ZINC001085325723 923915495 /nfs/dbraw/zinc/91/54/95/923915495.db2.gz BRRXGBFZVRNZNQ-IAGOWNOFSA-N 1 1 365.441 1.215 20 30 FDEDMO C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnsn2)nn1 ZINC001085358471 924169825 /nfs/dbraw/zinc/16/98/25/924169825.db2.gz CQLVGUDZEXRUIK-ZIAGYGMSSA-N 1 1 361.475 1.537 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncnn1CC ZINC001085359931 924214199 /nfs/dbraw/zinc/21/41/99/924214199.db2.gz HWDKSBMATKDMMW-LHHMISFZSA-N 1 1 361.490 1.796 20 30 FDEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000735312022 924255513 /nfs/dbraw/zinc/25/55/13/924255513.db2.gz ZXEJMOIDVJUOHB-LBPRGKRZSA-N 1 1 357.863 1.743 20 30 FDEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000735312022 924255524 /nfs/dbraw/zinc/25/55/24/924255524.db2.gz ZXEJMOIDVJUOHB-LBPRGKRZSA-N 1 1 357.863 1.743 20 30 FDEDMO C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H]1C[N@@H+](C)CCN1C ZINC000826791947 924308341 /nfs/dbraw/zinc/30/83/41/924308341.db2.gz YKARQUSZAPBWOI-CXAGYDPISA-N 1 1 353.426 1.577 20 30 FDEDMO C[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H]1C[N@@H+](C)CCN1C ZINC000826791949 924308578 /nfs/dbraw/zinc/30/85/78/924308578.db2.gz YKARQUSZAPBWOI-GUYCJALGSA-N 1 1 353.426 1.577 20 30 FDEDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000826776960 924325196 /nfs/dbraw/zinc/32/51/96/924325196.db2.gz CQCWJMKFEYOYMN-KDOFPFPSSA-N 1 1 362.861 1.315 20 30 FDEDMO C[C@H](O)C[NH+]1CCN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000739391918 925253391 /nfs/dbraw/zinc/25/33/91/925253391.db2.gz OIBPYKSTFNMFCK-KBPBESRZSA-N 1 1 358.467 1.471 20 30 FDEDMO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001085822746 925264354 /nfs/dbraw/zinc/26/43/54/925264354.db2.gz PWMAHBRBGMOFCY-FGTMMUONSA-N 1 1 354.454 1.493 20 30 FDEDMO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001085822746 925264361 /nfs/dbraw/zinc/26/43/61/925264361.db2.gz PWMAHBRBGMOFCY-FGTMMUONSA-N 1 1 354.454 1.493 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000740156842 925338797 /nfs/dbraw/zinc/33/87/97/925338797.db2.gz VRAQIAAFPSTGHE-GJZGRUSLSA-N 1 1 364.829 1.358 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000740156842 925338810 /nfs/dbraw/zinc/33/88/10/925338810.db2.gz VRAQIAAFPSTGHE-GJZGRUSLSA-N 1 1 364.829 1.358 20 30 FDEDMO C=CCCCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001108216796 925354479 /nfs/dbraw/zinc/35/44/79/925354479.db2.gz LUSBCLWJRKKQNR-FUHIMQAGSA-N 1 1 365.518 1.842 20 30 FDEDMO C#CCCN1CCO[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001108231598 925713463 /nfs/dbraw/zinc/71/34/63/925713463.db2.gz YCPMUVPSJGAGIN-URVUXULASA-N 1 1 369.509 1.562 20 30 FDEDMO C=CC[NH+]1CCC(NS(=O)(=O)C2CCN(C(=O)OCC)CC2)CC1 ZINC000742292710 926002771 /nfs/dbraw/zinc/00/27/71/926002771.db2.gz FFWCQYLBCONBEB-UHFFFAOYSA-N 1 1 359.492 1.177 20 30 FDEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cnc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001129326805 926143645 /nfs/dbraw/zinc/14/36/45/926143645.db2.gz MBVIUDMABHJUPB-VHSSKADRSA-N 1 1 369.473 1.695 20 30 FDEDMO C#CCCCNC(=O)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 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LXQNLAHWLQLUTM-INIZCTEOSA-N 1 1 372.494 1.681 20 30 FDEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)c2ncccn2)[C@@H](n2ccnn2)C1 ZINC001129337509 928766935 /nfs/dbraw/zinc/76/69/35/928766935.db2.gz KSGIHZIOLPGUKL-CVEARBPZSA-N 1 1 357.462 1.694 20 30 FDEDMO C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@H+]([C@@H]1CCCN(C(C)=O)C1)C2 ZINC001169604139 928778956 /nfs/dbraw/zinc/77/89/56/928778956.db2.gz BKVJQCJBIKCZCZ-UYAOXDASSA-N 1 1 362.518 1.180 20 30 FDEDMO C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001108718161 929119576 /nfs/dbraw/zinc/11/95/76/929119576.db2.gz LGDBOCTZTCFAPH-QGTPRVQTSA-N 1 1 364.453 1.610 20 30 FDEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(C)c1)C2 ZINC001108912853 929515640 /nfs/dbraw/zinc/51/56/40/929515640.db2.gz CSRHPKOFFHAXFV-RANZSIQMSA-N 1 1 373.501 1.568 20 30 FDEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(C)c1)C2 ZINC001108912853 929515649 /nfs/dbraw/zinc/51/56/49/929515649.db2.gz CSRHPKOFFHAXFV-RANZSIQMSA-N 1 1 373.501 1.568 20 30 FDEDMO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1COc2ccccc2O1 ZINC001108951622 929567049 /nfs/dbraw/zinc/56/70/49/929567049.db2.gz AXGSZEPZHCZPGZ-UGUYLWEFSA-N 1 1 373.478 1.805 20 30 FDEDMO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1COc2ccccc2O1 ZINC001108951622 929567063 /nfs/dbraw/zinc/56/70/63/929567063.db2.gz AXGSZEPZHCZPGZ-UGUYLWEFSA-N 1 1 373.478 1.805 20 30 FDEDMO CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001108956175 929591159 /nfs/dbraw/zinc/59/11/59/929591159.db2.gz HESVEUNITZSJTM-QYZOEREBSA-N 1 1 373.884 1.891 20 30 FDEDMO CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001108956175 929591166 /nfs/dbraw/zinc/59/11/66/929591166.db2.gz HESVEUNITZSJTM-QYZOEREBSA-N 1 1 373.884 1.891 20 30 FDEDMO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)c1ccc(F)cc1 ZINC001108953612 929613945 /nfs/dbraw/zinc/61/39/45/929613945.db2.gz TUEWXELOMIOHAD-QZWWFDLISA-N 1 1 363.458 1.837 20 30 FDEDMO 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SBJYNCHALIZIAJ-HOTGVXAUSA-N 1 1 359.474 1.960 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)=C2CCCC2)n[nH]1 ZINC001130198633 938740860 /nfs/dbraw/zinc/74/08/60/938740860.db2.gz SBJYNCHALIZIAJ-HOTGVXAUSA-N 1 1 359.474 1.960 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC=CCC2)n1 ZINC001130183136 938742455 /nfs/dbraw/zinc/74/24/55/938742455.db2.gz RSJMZUQMCBWAMM-PMPSAXMXSA-N 1 1 359.474 1.815 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC=CCC2)n[nH]1 ZINC001130183136 938742457 /nfs/dbraw/zinc/74/24/57/938742457.db2.gz RSJMZUQMCBWAMM-PMPSAXMXSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(Cl)o2)n1 ZINC001130184777 938743937 /nfs/dbraw/zinc/74/39/37/938743937.db2.gz FMOOUHJYWTZUGA-JQWIXIFHSA-N 1 1 365.821 1.629 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(Cl)o2)n[nH]1 ZINC001130184777 938743940 /nfs/dbraw/zinc/74/39/40/938743940.db2.gz FMOOUHJYWTZUGA-JQWIXIFHSA-N 1 1 365.821 1.629 20 30 FDEDMO C[C@@H](C#N)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCCCF)n[nH]1 ZINC001130203233 938744816 /nfs/dbraw/zinc/74/48/16/938744816.db2.gz URCZVRYECMGNFQ-IHRRRGAJSA-N 1 1 366.441 1.182 20 30 FDEDMO C[C@@H](C#N)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCCCF)n1 ZINC001130203233 938744819 /nfs/dbraw/zinc/74/48/19/938744819.db2.gz URCZVRYECMGNFQ-IHRRRGAJSA-N 1 1 366.441 1.182 20 30 FDEDMO C=CCOCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCC)n[nH]1 ZINC001130203271 938745209 /nfs/dbraw/zinc/74/52/09/938745209.db2.gz WHFCBGYPCOHLEC-GJZGRUSLSA-N 1 1 365.478 1.276 20 30 FDEDMO C=CCOCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCC)n1 ZINC001130203271 938745210 /nfs/dbraw/zinc/74/52/10/938745210.db2.gz WHFCBGYPCOHLEC-GJZGRUSLSA-N 1 1 365.478 1.276 20 30 FDEDMO C#CCCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130205030 938745657 /nfs/dbraw/zinc/74/56/57/938745657.db2.gz QHJYNJNFYXFTPR-HOTGVXAUSA-N 1 1 359.474 1.487 20 30 FDEDMO C#CCCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1 ZINC001130205030 938745659 /nfs/dbraw/zinc/74/56/59/938745659.db2.gz QHJYNJNFYXFTPR-HOTGVXAUSA-N 1 1 359.474 1.487 20 30 FDEDMO CC(C)C#CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C/C=C/Cl)n[nH]1 ZINC001130210075 938748000 /nfs/dbraw/zinc/74/80/00/938748000.db2.gz VGRWQZWKMGALHQ-VBMNXFDGSA-N 1 1 365.865 1.295 20 30 FDEDMO CC(C)C#CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C/C=C/Cl)n1 ZINC001130210075 938748001 /nfs/dbraw/zinc/74/80/01/938748001.db2.gz VGRWQZWKMGALHQ-VBMNXFDGSA-N 1 1 365.865 1.295 20 30 FDEDMO O=C(C#CC1CC1)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C/C=C/Cl)n[nH]1 ZINC001130212841 938749957 /nfs/dbraw/zinc/74/99/57/938749957.db2.gz GTOZQFSFJJXESN-KUMHDORDSA-N 1 1 363.849 1.049 20 30 FDEDMO O=C(C#CC1CC1)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C/C=C/Cl)n1 ZINC001130212841 938749958 /nfs/dbraw/zinc/74/99/58/938749958.db2.gz GTOZQFSFJJXESN-KUMHDORDSA-N 1 1 363.849 1.049 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)C(=C)Cl)n1 ZINC001130215763 938751983 /nfs/dbraw/zinc/75/19/83/938751983.db2.gz DYAKFVRFEVTSPY-STQMWFEESA-N 1 1 367.881 1.848 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)(C)C(=C)Cl)n[nH]1 ZINC001130215763 938751984 /nfs/dbraw/zinc/75/19/84/938751984.db2.gz DYAKFVRFEVTSPY-STQMWFEESA-N 1 1 367.881 1.848 20 30 FDEDMO C=C(C)[C@@H](CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC)n[nH]1)OCC ZINC001130220600 938752943 /nfs/dbraw/zinc/75/29/43/938752943.db2.gz GEYONULQLHISEG-ZNMIVQPWSA-N 1 1 365.478 1.274 20 30 FDEDMO C=C(C)[C@@H](CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC)n1)OCC ZINC001130220600 938752944 /nfs/dbraw/zinc/75/29/44/938752944.db2.gz GEYONULQLHISEG-ZNMIVQPWSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](CC)SC)n1 ZINC001130200338 938754091 /nfs/dbraw/zinc/75/40/91/938754091.db2.gz IOINQBNMCWURHZ-IHRRRGAJSA-N 1 1 367.519 1.601 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](CC)SC)n[nH]1 ZINC001130200338 938754092 /nfs/dbraw/zinc/75/40/92/938754092.db2.gz IOINQBNMCWURHZ-IHRRRGAJSA-N 1 1 367.519 1.601 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C=C(CC)CC)n1 ZINC001130200294 938754102 /nfs/dbraw/zinc/75/41/02/938754102.db2.gz GRISCEBWBBWQNJ-HOTGVXAUSA-N 1 1 359.474 1.653 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=C(CC)CC)n[nH]1 ZINC001130200294 938754103 /nfs/dbraw/zinc/75/41/03/938754103.db2.gz GRISCEBWBBWQNJ-HOTGVXAUSA-N 1 1 359.474 1.653 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC2(F)F)n1 ZINC001130220895 938756443 /nfs/dbraw/zinc/75/64/43/938756443.db2.gz QDFQJXVNEQIPKV-SRVKXCTJSA-N 1 1 355.389 1.114 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CCC2(F)F)n[nH]1 ZINC001130220895 938756444 /nfs/dbraw/zinc/75/64/44/938756444.db2.gz QDFQJXVNEQIPKV-SRVKXCTJSA-N 1 1 355.389 1.114 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)[nH]1 ZINC001130223136 938757228 /nfs/dbraw/zinc/75/72/28/938757228.db2.gz NTIGAXQUOMKMNB-YJNKXOJESA-N 1 1 359.474 1.198 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cocc2C)n1 ZINC001130227701 938761508 /nfs/dbraw/zinc/76/15/08/938761508.db2.gz KORUNROCHNFOSX-ZFWWWQNUSA-N 1 1 359.430 1.674 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cocc2C)n[nH]1 ZINC001130227701 938761509 /nfs/dbraw/zinc/76/15/09/938761509.db2.gz KORUNROCHNFOSX-ZFWWWQNUSA-N 1 1 359.430 1.674 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](CCC)OCC)n1 ZINC001130229713 938763010 /nfs/dbraw/zinc/76/30/10/938763010.db2.gz BCKGEVMTDZRZDB-ZNMIVQPWSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](CCC)OCC)n[nH]1 ZINC001130229713 938763011 /nfs/dbraw/zinc/76/30/11/938763011.db2.gz BCKGEVMTDZRZDB-ZNMIVQPWSA-N 1 1 365.478 1.274 20 30 FDEDMO C=C(C)C[C@@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CC)[nH]1 ZINC001130232468 938765050 /nfs/dbraw/zinc/76/50/50/938765050.db2.gz IHMISNPPDJIOFD-PMPSAXMXSA-N 1 1 359.474 1.509 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)C(F)F)[nH]1 ZINC001130235184 938766609 /nfs/dbraw/zinc/76/66/09/938766609.db2.gz XFMZIZKXKDQXIK-RYUDHWBXSA-N 1 1 369.416 1.198 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C(C)(F)F)n1 ZINC001130237807 938767239 /nfs/dbraw/zinc/76/72/39/938767239.db2.gz FOXSBCKQARNAPN-AGIUHOORSA-N 1 1 371.432 1.750 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)C(C)(F)F)n[nH]1 ZINC001130237807 938767240 /nfs/dbraw/zinc/76/72/40/938767240.db2.gz FOXSBCKQARNAPN-AGIUHOORSA-N 1 1 371.432 1.750 20 30 FDEDMO C=CCC(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCOC)n[nH]1 ZINC001130240570 938768430 /nfs/dbraw/zinc/76/84/30/938768430.db2.gz VGXHXAAJTKYENN-KBPBESRZSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CCC(C)(C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCOC)n1 ZINC001130240570 938768431 /nfs/dbraw/zinc/76/84/31/938768431.db2.gz VGXHXAAJTKYENN-KBPBESRZSA-N 1 1 365.478 1.132 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCC2(C)CC2)[nH]1 ZINC001130244440 938770732 /nfs/dbraw/zinc/77/07/32/938770732.db2.gz IPTIOOBWZZVKHD-GJZGRUSLSA-N 1 1 359.474 1.487 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(CF)cc2)[nH]1 ZINC001130251484 938774967 /nfs/dbraw/zinc/77/49/67/938774967.db2.gz XSFONCLQNLDWPT-HOTGVXAUSA-N 1 1 371.416 1.300 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(CF)cc2)n[nH]1 ZINC001130251484 938774969 /nfs/dbraw/zinc/77/49/69/938774969.db2.gz XSFONCLQNLDWPT-HOTGVXAUSA-N 1 1 371.416 1.300 20 30 FDEDMO C=CC[C@@H](NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)c1ccncc1 ZINC000805806545 938829566 /nfs/dbraw/zinc/82/95/66/938829566.db2.gz QNUVWSJXYRLYGG-GOSISDBHSA-N 1 1 374.485 1.120 20 30 FDEDMO CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O ZINC001090485548 938876277 /nfs/dbraw/zinc/87/62/77/938876277.db2.gz XXMMMKJHTXOJFO-IAGOWNOFSA-N 1 1 368.441 1.029 20 30 FDEDMO C=C(Br)C[NH2+][C@@H]1CN(C(=O)COCC)C[C@H]1c1cn(C)cn1 ZINC001130485832 938878350 /nfs/dbraw/zinc/87/83/50/938878350.db2.gz NFCZWZHECSLINP-GXTWGEPZSA-N 1 1 371.279 1.249 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]cc3ncnc2-3)C[C@H]1c1cn(C)cn1 ZINC001130596654 939903643 /nfs/dbraw/zinc/90/36/43/939903643.db2.gz OIJQWEHAPGVIFU-WMLDXEAASA-N 1 1 365.441 1.465 20 30 FDEDMO CC#CC[NH2+][C@@H]1CN(C(=O)c2occc2CN(C)C)C[C@H]1c1cn(C)cn1 ZINC001130654258 939947948 /nfs/dbraw/zinc/94/79/48/939947948.db2.gz BYDMZVBHJPLLGM-FUHWJXTLSA-N 1 1 369.469 1.296 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)COCCCOC)C[C@H]1c1cn(C)cn1 ZINC001130712811 939999790 /nfs/dbraw/zinc/99/97/90/939999790.db2.gz NDPGLKWDNACTCV-GOEBONIOSA-N 1 1 370.881 1.110 20 30 FDEDMO C#Cc1cncc(C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000806793419 940053256 /nfs/dbraw/zinc/05/32/56/940053256.db2.gz RVNAZMXXSRGBRM-UHFFFAOYSA-N 1 1 362.477 1.953 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C)o3)n[nH]2)O1 ZINC001130752796 940060125 /nfs/dbraw/zinc/06/01/25/940060125.db2.gz 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ZINC001129669849 938479200 /nfs/dbraw/zinc/47/92/00/938479200.db2.gz OFBSWGFPHARIHP-GOSISDBHSA-N 1 1 357.454 1.681 20 30 FDEDMO C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001086625097 938509786 /nfs/dbraw/zinc/50/97/86/938509786.db2.gz LAUXCSYCAFYBOT-GBESFXJTSA-N 1 1 365.481 1.919 20 30 FDEDMO Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1n1ccnn1 ZINC001129822146 938521943 /nfs/dbraw/zinc/52/19/43/938521943.db2.gz HIRRBHAKHZRGDA-SJORKVTESA-N 1 1 356.430 1.084 20 30 FDEDMO CC(C)C#CC(=O)N1C[C@@H]([NH2+]Cc2cncc(F)c2)[C@@H](n2ccnn2)C1 ZINC001129825470 938523283 /nfs/dbraw/zinc/52/32/83/938523283.db2.gz WSUAUSIUFSUXMU-SJORKVTESA-N 1 1 356.405 1.013 20 30 FDEDMO C[C@]1(CNC(=O)C(=O)NCCCCC#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000804717928 938540524 /nfs/dbraw/zinc/54/05/24/938540524.db2.gz NBJUBVRQFWWZBG-HXUWFJFHSA-N 1 1 356.470 1.825 20 30 FDEDMO C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc3cncn3c2)C[C@@H]1n1ccnn1 ZINC001129932427 938562602 /nfs/dbraw/zinc/56/26/02/938562602.db2.gz XQWOXCNRBLPGER-MSOLQXFVSA-N 1 1 365.441 1.547 20 30 FDEDMO C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)N2CCOCC2)C1 ZINC001086627501 938596594 /nfs/dbraw/zinc/59/65/94/938596594.db2.gz MGQSFTKFZBKNEP-YSIASYRMSA-N 1 1 357.498 1.867 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)N2CCOCC2)C1 ZINC001086627660 938597135 /nfs/dbraw/zinc/59/71/35/938597135.db2.gz UBRDHHUSCNYULC-YSIASYRMSA-N 1 1 357.498 1.867 20 30 FDEDMO C=CCC1(C(=O)N2C[C@@H]([NH2+]Cc3cnc(C)o3)[C@@H](n3ccnn3)C2)CCC1 ZINC001129994341 938603247 /nfs/dbraw/zinc/60/32/47/938603247.db2.gz IOHWSEJVXFCHQO-SJORKVTESA-N 1 1 370.457 1.863 20 30 FDEDMO C=CCCCC(=O)N1C[C@@H]([NH2+]Cc2oc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001129986488 938609806 /nfs/dbraw/zinc/60/98/06/938609806.db2.gz BZADKSHANDRGJH-CVEARBPZSA-N 1 1 358.446 1.781 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COC(C)C)[nH]1 ZINC001130190895 938736181 /nfs/dbraw/zinc/73/61/81/938736181.db2.gz SEGAGRVYJOJLFK-STQMWFEESA-N 1 1 371.869 1.061 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC2=CCCCC2)n1 ZINC001130196078 938739594 /nfs/dbraw/zinc/73/95/94/938739594.db2.gz QXBINURKJPPBBZ-HOTGVXAUSA-N 1 1 359.474 1.960 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC2=CCCCC2)n[nH]1 ZINC001130196078 938739596 /nfs/dbraw/zinc/73/95/96/938739596.db2.gz QXBINURKJPPBBZ-HOTGVXAUSA-N 1 1 359.474 1.960 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCc2ccco2)n1 ZINC001130182866 938742044 /nfs/dbraw/zinc/74/20/44/938742044.db2.gz FLZSUKLNSWLYJO-GJZGRUSLSA-N 1 1 359.430 1.295 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCc2ccco2)n[nH]1 ZINC001130182866 938742045 /nfs/dbraw/zinc/74/20/45/938742045.db2.gz FLZSUKLNSWLYJO-GJZGRUSLSA-N 1 1 359.430 1.295 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCC)[nH]1 ZINC001130184784 938743815 /nfs/dbraw/zinc/74/38/15/938743815.db2.gz FYGHKMAAGZPPQO-STQMWFEESA-N 1 1 355.870 1.826 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)/C=C\C2CC2)n1 ZINC001130203218 938744832 /nfs/dbraw/zinc/74/48/32/938744832.db2.gz UCDQCXRUPIQJRQ-XFCCUVRLSA-N 1 1 359.474 1.815 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=CC2CC2)n[nH]1 ZINC001130203218 938744834 /nfs/dbraw/zinc/74/48/34/938744834.db2.gz UCDQCXRUPIQJRQ-XFCCUVRLSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H](C)SC)n1 ZINC001130203087 938745009 /nfs/dbraw/zinc/74/50/09/938745009.db2.gz SGISAPFDNKOJRJ-AGIUHOORSA-N 1 1 353.492 1.211 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H](C)SC)n[nH]1 ZINC001130203087 938745012 /nfs/dbraw/zinc/74/50/12/938745012.db2.gz SGISAPFDNKOJRJ-AGIUHOORSA-N 1 1 353.492 1.211 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ccc(C)o2)n1 ZINC001130202752 938755408 /nfs/dbraw/zinc/75/54/08/938755408.db2.gz JGWCNRMOVMRHSF-HOTGVXAUSA-N 1 1 371.441 1.050 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2ccc(C)o2)n[nH]1 ZINC001130202752 938755409 /nfs/dbraw/zinc/75/54/09/938755409.db2.gz JGWCNRMOVMRHSF-HOTGVXAUSA-N 1 1 371.441 1.050 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCC(F)F)n1 ZINC001130223419 938757541 /nfs/dbraw/zinc/75/75/41/938757541.db2.gz SPWCELHKZABWSK-STQMWFEESA-N 1 1 371.432 1.895 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCC(F)F)n[nH]1 ZINC001130223419 938757543 /nfs/dbraw/zinc/75/75/43/938757543.db2.gz SPWCELHKZABWSK-STQMWFEESA-N 1 1 371.432 1.895 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(F)ccc2C)[nH]1 ZINC001130224821 938758834 /nfs/dbraw/zinc/75/88/34/938758834.db2.gz DDGOZWNPFOATND-HOCLYGCPSA-N 1 1 371.416 1.278 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(F)ccc2C)n[nH]1 ZINC001130224821 938758835 /nfs/dbraw/zinc/75/88/35/938758835.db2.gz DDGOZWNPFOATND-HOCLYGCPSA-N 1 1 371.416 1.278 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC23CC3)n1 ZINC001130240074 938760261 /nfs/dbraw/zinc/76/02/61/938760261.db2.gz HHPSVEFOBRORGE-KKUMJFAQSA-N 1 1 359.474 1.649 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC23CC3)n[nH]1 ZINC001130240074 938760263 /nfs/dbraw/zinc/76/02/63/938760263.db2.gz HHPSVEFOBRORGE-KKUMJFAQSA-N 1 1 359.474 1.649 20 30 FDEDMO C=CC(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCC2CC2)n[nH]1 ZINC001130227750 938761837 /nfs/dbraw/zinc/76/18/37/938761837.db2.gz NHNAIAOBIHFPIA-GJZGRUSLSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CC(C)(C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCC2CC2)n1 ZINC001130227750 938761838 /nfs/dbraw/zinc/76/18/38/938761838.db2.gz NHNAIAOBIHFPIA-GJZGRUSLSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)c2ccco2)n1 ZINC001130238170 938767633 /nfs/dbraw/zinc/76/76/33/938767633.db2.gz WWGPFJYJQJMXJA-YDHLFZDLSA-N 1 1 359.430 1.466 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)c2ccco2)n[nH]1 ZINC001130238170 938767635 /nfs/dbraw/zinc/76/76/35/938767635.db2.gz WWGPFJYJQJMXJA-YDHLFZDLSA-N 1 1 359.430 1.466 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2CCC)[nH]1 ZINC001130240562 938768600 /nfs/dbraw/zinc/76/86/00/938768600.db2.gz UXSFRHJBRYXYSJ-QXSJWSMHSA-N 1 1 359.474 1.343 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c(C)cccc2C)[nH]1 ZINC001130240629 938768719 /nfs/dbraw/zinc/76/87/19/938768719.db2.gz WTELEWGKHSINFI-HOTGVXAUSA-N 1 1 367.453 1.447 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c(C)cccc2C)n[nH]1 ZINC001130240629 938768721 /nfs/dbraw/zinc/76/87/21/938768721.db2.gz WTELEWGKHSINFI-HOTGVXAUSA-N 1 1 367.453 1.447 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]2(C)CC=C(C)CC2)[nH]1 ZINC001130251534 938774807 /nfs/dbraw/zinc/77/48/07/938774807.db2.gz ZPLJTBAZMJTKKM-TWOQFEAHSA-N 1 1 371.485 1.653 20 30 FDEDMO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000805779599 938823074 /nfs/dbraw/zinc/82/30/74/938823074.db2.gz ARGPBCHYGKDOTC-IEBWSBKVSA-N 1 1 371.481 1.900 20 30 FDEDMO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000805779599 938823080 /nfs/dbraw/zinc/82/30/80/938823080.db2.gz ARGPBCHYGKDOTC-IEBWSBKVSA-N 1 1 371.481 1.900 20 30 FDEDMO COCC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001130430900 938846256 /nfs/dbraw/zinc/84/62/56/938846256.db2.gz KQVMJRUUKZGKRG-YTQUADARSA-N 1 1 370.497 1.901 20 30 FDEDMO CCC[C@@H]1C[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001130419933 938848331 /nfs/dbraw/zinc/84/83/31/938848331.db2.gz HZUJGMUZBXUXDR-SOLBZPMBSA-N 1 1 358.486 1.901 20 30 FDEDMO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000747325416 939901071 /nfs/dbraw/zinc/90/10/71/939901071.db2.gz IZCYFOZTKANUDH-LSDHHAIUSA-N 1 1 354.410 1.843 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1c1cn(C)cn1 ZINC001130596645 939903486 /nfs/dbraw/zinc/90/34/86/939903486.db2.gz NQSKCUFNKGJUGL-RNIPGJKVSA-N 1 1 357.502 1.058 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1c1cn(C)cn1 ZINC001130596645 939903487 /nfs/dbraw/zinc/90/34/87/939903487.db2.gz NQSKCUFNKGJUGL-RNIPGJKVSA-N 1 1 357.502 1.058 20 30 FDEDMO C=CC(C)(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nccn2C)C1 ZINC001130602643 939914088 /nfs/dbraw/zinc/91/40/88/939914088.db2.gz LLDNVOGBKXWJII-DOTOQJQBSA-N 1 1 370.501 1.840 20 30 FDEDMO C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)c2nnc(C)[nH]2)C1 ZINC001130602872 939914446 /nfs/dbraw/zinc/91/44/46/939914446.db2.gz RFJSNGLCOXRAKB-UKPHBRMFSA-N 1 1 371.489 1.848 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCCCC)C2)C1=O ZINC001111678595 940018291 /nfs/dbraw/zinc/01/82/91/940018291.db2.gz LVJHXTVTVRMBOF-QKLQHJQFSA-N 1 1 363.502 1.561 20 30 FDEDMO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000806806346 940059407 /nfs/dbraw/zinc/05/94/07/940059407.db2.gz BHDDYUWSNYCWLC-RDJZCZTQSA-N 1 1 360.458 1.576 20 30 FDEDMO 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C[C@@H](C#N)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C/C=C/Cl)O2)n1 ZINC001130769987 940108200 /nfs/dbraw/zinc/10/82/00/940108200.db2.gz SVIPTCIIUMZSNA-KTDZKYTCSA-N 1 1 352.826 1.143 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3ccon3)n[nH]2)O1 ZINC001130776827 940127042 /nfs/dbraw/zinc/12/70/42/940127042.db2.gz NEXZYQNEDJPZBS-UONOGXRCSA-N 1 1 360.418 1.037 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC3(F)F)n[nH]2)O1 ZINC001130778291 940131430 /nfs/dbraw/zinc/13/14/30/940131430.db2.gz PCOLIUCSBYDZEO-SDDRHHMPSA-N 1 1 355.389 1.462 20 30 FDEDMO C#CCCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C/C=C/Cl)O2)n1 ZINC001130778430 940131995 /nfs/dbraw/zinc/13/19/95/940131995.db2.gz XTQJSTCNUVFLTM-DBMMHUENSA-N 1 1 365.865 1.787 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C)nn3)n[nH]2)O1 ZINC001130781054 940135847 /nfs/dbraw/zinc/13/58/47/940135847.db2.gz MVKBROWRNPSRQE-DZGCQCFKSA-N 1 1 371.445 1.219 20 30 FDEDMO 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C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCc4c3cccc4F)C[C@@H]2O)nn1 ZINC001083843599 879962150 /nfs/dbraw/zinc/96/21/50/879962150.db2.gz PHOISOMOOSFNMH-NJAFHUGGSA-N 1 1 371.416 1.066 20 30 FDEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCC3CCCCCC3)C[C@@H]2O)nn1 ZINC001083843721 879963317 /nfs/dbraw/zinc/96/33/17/879963317.db2.gz VOYMAWHIPZBSRI-AEFFLSMTSA-N 1 1 361.490 1.600 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)CC[N@H+]1C ZINC000993917257 880143079 /nfs/dbraw/zinc/14/30/79/880143079.db2.gz CERNQKSYOXHIPU-LFVTVUPYSA-N 1 1 371.485 1.441 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000993961934 880180298 /nfs/dbraw/zinc/18/02/98/880180298.db2.gz VFTLHZWRQBBWDZ-LNLFQRSKSA-N 1 1 363.502 1.558 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(C)(C)C(=C)C)C[C@H]1C ZINC000994205052 881032122 /nfs/dbraw/zinc/03/21/22/881032122.db2.gz ZMOFSLYBZISDOU-KURKYZTESA-N 1 1 359.514 1.897 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(C)(C)C(=C)C)C[C@H]1C ZINC000994205052 881032140 /nfs/dbraw/zinc/03/21/40/881032140.db2.gz ZMOFSLYBZISDOU-KURKYZTESA-N 1 1 359.514 1.897 20 30 FDEDMO C[C@@H]1OCCO[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033157929 881092282 /nfs/dbraw/zinc/09/22/82/881092282.db2.gz FYTXIHHCMFPKMT-IPELMVKDSA-N 1 1 360.429 1.514 20 30 FDEDMO C[C@@H]1OCCO[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033157929 881092303 /nfs/dbraw/zinc/09/23/03/881092303.db2.gz FYTXIHHCMFPKMT-IPELMVKDSA-N 1 1 360.429 1.514 20 30 FDEDMO CCCc1[nH]ccc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077547355 883313073 /nfs/dbraw/zinc/31/30/73/883313073.db2.gz QIIWCGOIHMMLEG-RTBURBONSA-N 1 1 352.438 1.814 20 30 FDEDMO CCCc1[nH]ccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077547355 883313095 /nfs/dbraw/zinc/31/30/95/883313095.db2.gz QIIWCGOIHMMLEG-RTBURBONSA-N 1 1 352.438 1.814 20 30 FDEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCCN2C(=O)c2cc(C#N)c[nH]2)CC[N@H+]1C ZINC001005442629 883399585 /nfs/dbraw/zinc/39/95/85/883399585.db2.gz QNWBNWXQNFTMTH-HYVNUMGLSA-N 1 1 371.485 1.728 20 30 FDEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCC[C@@H]2C2CCCCC2)c1=O ZINC000917478584 883452957 /nfs/dbraw/zinc/45/29/57/883452957.db2.gz OVEOGJIQPTUANU-QGZVFWFLSA-N 1 1 374.485 1.546 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccs1)C2 ZINC001005477015 883519287 /nfs/dbraw/zinc/51/92/87/883519287.db2.gz JKZSULBAMINOLK-KBXIAJHMSA-N 1 1 358.467 1.102 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccs1)C2 ZINC001005477015 883519304 /nfs/dbraw/zinc/51/93/04/883519304.db2.gz JKZSULBAMINOLK-KBXIAJHMSA-N 1 1 358.467 1.102 20 30 FDEDMO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](n3ccnn3)C2)cc1C ZINC001128829078 883751477 /nfs/dbraw/zinc/75/14/77/883751477.db2.gz AFJNHCNCXHADGC-OIISXLGYSA-N 1 1 368.441 1.297 20 30 FDEDMO COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](n3ccnn3)C2)cc1C ZINC001128829078 883751485 /nfs/dbraw/zinc/75/14/85/883751485.db2.gz AFJNHCNCXHADGC-OIISXLGYSA-N 1 1 368.441 1.297 20 30 FDEDMO COc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](n3ccnn3)C2)c1C ZINC001128829463 883752480 /nfs/dbraw/zinc/75/24/80/883752480.db2.gz DHCPULQTJYTWBP-XYPHTWIQSA-N 1 1 368.441 1.297 20 30 FDEDMO COc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](n3ccnn3)C2)c1C ZINC001128829463 883752492 /nfs/dbraw/zinc/75/24/92/883752492.db2.gz DHCPULQTJYTWBP-XYPHTWIQSA-N 1 1 368.441 1.297 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[C@@H](n2ccnn2)C1 ZINC001128860829 883865170 /nfs/dbraw/zinc/86/51/70/883865170.db2.gz PNSVFGKTEMOJAN-WKULXVSPSA-N 1 1 359.474 1.258 20 30 FDEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](n2ccnn2)C1 ZINC001128861111 883865719 /nfs/dbraw/zinc/86/57/19/883865719.db2.gz TUDBEIXTAAKWRH-BMFZPTHFSA-N 1 1 356.430 1.389 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nn(C)cc2Cl)C1 ZINC000999431259 912759889 /nfs/dbraw/zinc/75/98/89/912759889.db2.gz OZSHHUWIPMYPMD-CULRUXPZSA-N 1 1 352.866 1.744 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cscc2C)[C@@H](n2ccnn2)C1 ZINC001128870236 883904873 /nfs/dbraw/zinc/90/48/73/883904873.db2.gz PBGOCEWPJCMOBL-CVEARBPZSA-N 1 1 361.471 1.506 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cscc2C)[C@@H](n2ccnn2)C1 ZINC001128870236 883904875 /nfs/dbraw/zinc/90/48/75/883904875.db2.gz PBGOCEWPJCMOBL-CVEARBPZSA-N 1 1 361.471 1.506 20 30 FDEDMO CCC/C=C/CC[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001128878388 883917894 /nfs/dbraw/zinc/91/78/94/883917894.db2.gz RCWZOGQXAPIMHZ-ZLKFPQNLSA-N 1 1 367.457 1.880 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCc2ccnn2C)C1 ZINC001034213394 883940894 /nfs/dbraw/zinc/94/08/94/883940894.db2.gz UMQAFOPZORERRA-QRQLOZEOSA-N 1 1 360.502 1.915 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)C(F)=C2CCCC2)[C@@H](n2ccnn2)C1 ZINC001128886567 883973191 /nfs/dbraw/zinc/97/31/91/883973191.db2.gz QWLLDPRTKYCSRN-CVEARBPZSA-N 1 1 363.437 1.620 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)C(F)=C2CCCC2)[C@@H](n2ccnn2)C1 ZINC001128886567 883973196 /nfs/dbraw/zinc/97/31/96/883973196.db2.gz QWLLDPRTKYCSRN-CVEARBPZSA-N 1 1 363.437 1.620 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cc(C)cs2)[C@@H](n2ccnn2)C1 ZINC001128966513 884478185 /nfs/dbraw/zinc/47/81/85/884478185.db2.gz AALQEPPTJKIROW-CABCVRRESA-N 1 1 361.471 1.506 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)cs2)[C@@H](n2ccnn2)C1 ZINC001128966513 884478209 /nfs/dbraw/zinc/47/82/09/884478209.db2.gz AALQEPPTJKIROW-CABCVRRESA-N 1 1 361.471 1.506 20 30 FDEDMO Cc1cccc(C)c1C[N@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@@H](n2ccnn2)C1 ZINC001128966924 884481720 /nfs/dbraw/zinc/48/17/20/884481720.db2.gz SUEJDMRQQGDHNG-UXHICEINSA-N 1 1 363.465 1.850 20 30 FDEDMO CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001128980330 884572347 /nfs/dbraw/zinc/57/23/47/884572347.db2.gz XAVXRBMMELSHJO-ZACQAIPSSA-N 1 1 359.474 1.238 20 30 FDEDMO CC(C)(C)C#CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001128980330 884572362 /nfs/dbraw/zinc/57/23/62/884572362.db2.gz XAVXRBMMELSHJO-ZACQAIPSSA-N 1 1 359.474 1.238 20 30 FDEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@@H]1n1ccnn1 ZINC001128988852 884801190 /nfs/dbraw/zinc/80/11/90/884801190.db2.gz GNMJJQGTPZFZTO-NXHRZFHOSA-N 1 1 359.474 1.238 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH2+][C@@H](C)c2nncn2C)cc1 ZINC001034827695 885235373 /nfs/dbraw/zinc/23/53/73/885235373.db2.gz FIMJYAIZNGFPIL-QGTPRVQTSA-N 1 1 369.469 1.873 20 30 FDEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1n1ccnn1 ZINC001129020419 885257428 /nfs/dbraw/zinc/25/74/28/885257428.db2.gz UKYSRAFEYROFHN-KGLIPLIRSA-N 1 1 371.432 1.504 20 30 FDEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1n1ccnn1 ZINC001129020419 885257442 /nfs/dbraw/zinc/25/74/42/885257442.db2.gz UKYSRAFEYROFHN-KGLIPLIRSA-N 1 1 371.432 1.504 20 30 FDEDMO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@@H]1n1ccnn1 ZINC001129030087 885344091 /nfs/dbraw/zinc/34/40/91/885344091.db2.gz QOUYSSNTNHFGMU-MSOLQXFVSA-N 1 1 371.489 1.489 20 30 FDEDMO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@@H]1n1ccnn1 ZINC001129030087 885344112 /nfs/dbraw/zinc/34/41/12/885344112.db2.gz QOUYSSNTNHFGMU-MSOLQXFVSA-N 1 1 371.489 1.489 20 30 FDEDMO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000919268537 885475789 /nfs/dbraw/zinc/47/57/89/885475789.db2.gz LAUPDPPFILUBFD-DLBZAZTESA-N 1 1 363.483 1.146 20 30 FDEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cnccc2C)[C@@H](n2ccnn2)C1 ZINC001129052453 885578996 /nfs/dbraw/zinc/57/89/96/885578996.db2.gz FRXBLIHBYFMSHB-UHOSZYNNSA-N 1 1 368.485 1.920 20 30 FDEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)C/C=C/c2ccccc2F)[C@@H](n2ccnn2)C1 ZINC001129064660 885626198 /nfs/dbraw/zinc/62/61/98/885626198.db2.gz KLFMJCCBSKGMMI-ZFYPLVIYSA-N 1 1 367.428 1.886 20 30 FDEDMO CC#CC[N@H+]1C[C@@H](NC(=O)C/C=C/c2ccccc2F)[C@@H](n2ccnn2)C1 ZINC001129064660 885626207 /nfs/dbraw/zinc/62/62/07/885626207.db2.gz KLFMJCCBSKGMMI-ZFYPLVIYSA-N 1 1 367.428 1.886 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)c2ccncc2)[C@@H](n2ccnn2)C1 ZINC001129065220 885629415 /nfs/dbraw/zinc/62/94/15/885629415.db2.gz RLPNKJMYOWDBRR-NXHRZFHOSA-N 1 1 352.442 1.232 20 30 FDEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ncc(OC)cn2)[C@@H](n2ccnn2)C1 ZINC001129094079 885724638 /nfs/dbraw/zinc/72/46/38/885724638.db2.gz YPGGTMLGSXCLML-IMJJTQAJSA-N 1 1 371.445 1.087 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ncnn3C)C2)CC1 ZINC001035230437 885816981 /nfs/dbraw/zinc/81/69/81/885816981.db2.gz KNIPSDCVSYRGJU-CVEARBPZSA-N 1 1 359.474 1.221 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC[N@H+](Cc3ncnn3C)C2)CC1 ZINC001035230437 885816991 /nfs/dbraw/zinc/81/69/91/885816991.db2.gz KNIPSDCVSYRGJU-CVEARBPZSA-N 1 1 359.474 1.221 20 30 FDEDMO 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/nfs/dbraw/zinc/44/84/44/938448444.db2.gz MNFHRDQOZDENGT-DLBZAZTESA-N 1 1 355.463 1.436 20 30 FDEDMO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2noc3c2COCC3)C1 ZINC001086624633 938498203 /nfs/dbraw/zinc/49/82/03/938498203.db2.gz NRTWMOZRIYDEGB-FUHWJXTLSA-N 1 1 365.433 1.968 20 30 FDEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2noc3c2COCC3)C1 ZINC001086624633 938498205 /nfs/dbraw/zinc/49/82/05/938498205.db2.gz NRTWMOZRIYDEGB-FUHWJXTLSA-N 1 1 365.433 1.968 20 30 FDEDMO C=CCC(CC=C)C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001129866473 938529399 /nfs/dbraw/zinc/52/93/99/938529399.db2.gz CEMFXMQEJUXONK-MOPGFXCFSA-N 1 1 366.469 1.983 20 30 FDEDMO C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)N2CCCCC2=O)C1 ZINC001086625535 938530619 /nfs/dbraw/zinc/53/06/19/938530619.db2.gz HQPWYJMBETWJIB-YZGWKJHDSA-N 1 1 367.493 1.995 20 30 FDEDMO C#CCCCC(=O)N1C[C@@H]([NH2+][C@H](C)c2cnc(C)cn2)[C@@H](n2ccnn2)C1 ZINC001129834086 938533392 /nfs/dbraw/zinc/53/33/92/938533392.db2.gz LPIGZRMHSXOMAI-NXHRZFHOSA-N 1 1 367.457 1.283 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](C)CC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129941103 938566371 /nfs/dbraw/zinc/56/63/71/938566371.db2.gz JVULANGMNVLNFV-JLLWLGSASA-N 1 1 365.787 1.961 20 30 FDEDMO C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001086626570 938576949 /nfs/dbraw/zinc/57/69/49/938576949.db2.gz UXQDFJYYZVBEDB-PKOBYXMFSA-N 1 1 362.433 1.402 20 30 FDEDMO C#CCN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000804835557 938590999 /nfs/dbraw/zinc/59/09/99/938590999.db2.gz RBOJPZSYZRUCRV-UXHICEINSA-N 1 1 367.493 1.981 20 30 FDEDMO C=C(C)C[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2nccnc2C)[C@@H](n2ccnn2)C1 ZINC001129976540 938600894 /nfs/dbraw/zinc/60/08/94/938600894.db2.gz QCOYDNAUHYDMJF-QGTPRVQTSA-N 1 1 369.473 1.521 20 30 FDEDMO C=CCC1(C(=O)N2C[C@@H]([NH2+]Cc3cnoc3C)[C@@H](n3ccnn3)C2)CCC1 ZINC001129995903 938604795 /nfs/dbraw/zinc/60/47/95/938604795.db2.gz POFOXBPHMJLEPW-SJORKVTESA-N 1 1 370.457 1.863 20 30 FDEDMO C=CCCCC(=O)N1C[C@@H]([NH2+][C@H](C)c2cnccn2)[C@@H](n2ccnn2)C1 ZINC001129986916 938609917 /nfs/dbraw/zinc/60/99/17/938609917.db2.gz QRFSDTQIWZOBLG-OIISXLGYSA-N 1 1 355.446 1.527 20 30 FDEDMO C=CCCCC(=O)N1C[C@@H]([NH2+]CC(=C)Br)[C@@H](n2ccnn2)C1 ZINC001129990098 938612181 /nfs/dbraw/zinc/61/21/81/938612181.db2.gz MDRYXDDNFWKYDD-KGLIPLIRSA-N 1 1 368.279 1.885 20 30 FDEDMO C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2[nH]nc3ccccc32)C[C@@H]1n1ccnn1 ZINC001130111651 938690524 /nfs/dbraw/zinc/69/05/24/938690524.db2.gz JVTFDSNHKFRKCA-SJORKVTESA-N 1 1 365.441 1.776 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2sccc2C)[nH]1 ZINC001130177817 938725645 /nfs/dbraw/zinc/72/56/45/938725645.db2.gz WASHDIIFQRRPOD-STQMWFEESA-N 1 1 359.455 1.200 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2sccc2C)n[nH]1 ZINC001130177817 938725646 /nfs/dbraw/zinc/72/56/46/938725646.db2.gz WASHDIIFQRRPOD-STQMWFEESA-N 1 1 359.455 1.200 20 30 FDEDMO CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]Cc2ccccc2C#N)n[nH]1 ZINC001130179347 938726501 /nfs/dbraw/zinc/72/65/01/938726501.db2.gz CBZGXRZEJBQMSP-HOTGVXAUSA-N 1 1 368.441 1.365 20 30 FDEDMO C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]Cc2ccccn2)[nH]1 ZINC001130193412 938738098 /nfs/dbraw/zinc/73/80/98/938738098.db2.gz WUKKGQPPIQUKQY-HOTGVXAUSA-N 1 1 370.457 1.444 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC2=CCCCC2)n1 ZINC001130196204 938739391 /nfs/dbraw/zinc/73/93/91/938739391.db2.gz WWWQNECZKIAGTO-IRXDYDNUSA-N 1 1 371.485 1.797 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC2=CCCCC2)n[nH]1 ZINC001130196204 938739393 /nfs/dbraw/zinc/73/93/93/938739393.db2.gz WWWQNECZKIAGTO-IRXDYDNUSA-N 1 1 371.485 1.797 20 30 FDEDMO C#CCCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130205213 938746114 /nfs/dbraw/zinc/74/61/14/938746114.db2.gz VBCVZDSXHTVKCR-KBPBESRZSA-N 1 1 351.426 1.046 20 30 FDEDMO C#CCCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130205213 938746117 /nfs/dbraw/zinc/74/61/17/938746117.db2.gz VBCVZDSXHTVKCR-KBPBESRZSA-N 1 1 351.426 1.046 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c(C)coc2C)[nH]1 ZINC001130207479 938746745 /nfs/dbraw/zinc/74/67/45/938746745.db2.gz CDZSYNZAMXKBRO-GJZGRUSLSA-N 1 1 371.441 1.430 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC2(F)F)n1 ZINC001130207748 938747068 /nfs/dbraw/zinc/74/70/68/938747068.db2.gz NWECEBARWRHBHS-TUAOUCFPSA-N 1 1 355.389 1.114 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC2(F)F)n[nH]1 ZINC001130207748 938747069 /nfs/dbraw/zinc/74/70/69/938747069.db2.gz NWECEBARWRHBHS-TUAOUCFPSA-N 1 1 355.389 1.114 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](OCC)C(C)C)n1 ZINC001130207816 938747098 /nfs/dbraw/zinc/74/70/98/938747098.db2.gz QZJYMQQWYSWHBS-OFQRWUPVSA-N 1 1 365.478 1.130 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](OCC)C(C)C)n[nH]1 ZINC001130207816 938747100 /nfs/dbraw/zinc/74/71/00/938747100.db2.gz QZJYMQQWYSWHBS-OFQRWUPVSA-N 1 1 365.478 1.130 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)sn2)n1 ZINC001130209975 938747909 /nfs/dbraw/zinc/74/79/09/938747909.db2.gz SKZXWCRSIRTSNO-AAEUAGOBSA-N 1 1 362.459 1.148 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)sn2)n[nH]1 ZINC001130209975 938747910 /nfs/dbraw/zinc/74/79/10/938747910.db2.gz SKZXWCRSIRTSNO-AAEUAGOBSA-N 1 1 362.459 1.148 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(F)CCCC2)n1 ZINC001130220548 938749663 /nfs/dbraw/zinc/74/96/63/938749663.db2.gz CTEOCYDPGSPXEZ-KBPBESRZSA-N 1 1 365.453 1.741 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(F)CCCC2)n[nH]1 ZINC001130220548 938749665 /nfs/dbraw/zinc/74/96/65/938749665.db2.gz CTEOCYDPGSPXEZ-KBPBESRZSA-N 1 1 365.453 1.741 20 30 FDEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC2CC2)n1 ZINC001130213075 938750051 /nfs/dbraw/zinc/75/00/51/938750051.db2.gz SHRCDSYKIVCDKL-XIRDDKMYSA-N 1 1 371.485 1.651 20 30 FDEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC2CC2)n[nH]1 ZINC001130213075 938750052 /nfs/dbraw/zinc/75/00/52/938750052.db2.gz SHRCDSYKIVCDKL-XIRDDKMYSA-N 1 1 371.485 1.651 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C3CC3)CC2)[nH]1 ZINC001130216382 938752686 /nfs/dbraw/zinc/75/26/86/938752686.db2.gz VVRDHVKTEWDPJJ-GJZGRUSLSA-N 1 1 357.458 1.097 20 30 FDEDMO C[C@H](C#N)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CCCC2)n[nH]1 ZINC001130202872 938755402 /nfs/dbraw/zinc/75/54/02/938755402.db2.gz NBLSNONACQXEQS-SNPRPXQTSA-N 1 1 360.462 1.233 20 30 FDEDMO C[C@H](C#N)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CCCC2)n1 ZINC001130202872 938755403 /nfs/dbraw/zinc/75/54/03/938755403.db2.gz NBLSNONACQXEQS-SNPRPXQTSA-N 1 1 360.462 1.233 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCC(F)F)n1 ZINC001130222784 938757147 /nfs/dbraw/zinc/75/71/47/938757147.db2.gz FYXCTSMFBJTTTD-STQMWFEESA-N 1 1 371.432 1.895 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCC(F)F)n[nH]1 ZINC001130222784 938757149 /nfs/dbraw/zinc/75/71/49/938757149.db2.gz FYXCTSMFBJTTTD-STQMWFEESA-N 1 1 371.432 1.895 20 30 FDEDMO C#CCCCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130224863 938758805 /nfs/dbraw/zinc/75/88/05/938758805.db2.gz GATPBBGPEXPSFK-GJZGRUSLSA-N 1 1 365.453 1.436 20 30 FDEDMO C#CCCCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130224863 938758806 /nfs/dbraw/zinc/75/88/06/938758806.db2.gz GATPBBGPEXPSFK-GJZGRUSLSA-N 1 1 365.453 1.436 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CCF)CC2)[nH]1 ZINC001130224995 938759283 /nfs/dbraw/zinc/75/92/83/938759283.db2.gz MIDLLJSNBLRODW-KBPBESRZSA-N 1 1 363.437 1.046 20 30 FDEDMO C=C/C(C)=C/CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CC)[nH]1 ZINC001130227600 938761362 /nfs/dbraw/zinc/76/13/62/938761362.db2.gz GIIWYFDYYSCQOJ-JEYQBLLFSA-N 1 1 357.458 1.429 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC3(CCC3)C2)[nH]1 ZINC001130230340 938763957 /nfs/dbraw/zinc/76/39/57/938763957.db2.gz STWQPSXXFMEZJX-GJZGRUSLSA-N 1 1 357.458 1.097 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H](C=C)CC)n1 ZINC001130232725 938765179 /nfs/dbraw/zinc/76/51/79/938765179.db2.gz PIULXCOYBOVTRD-PMPSAXMXSA-N 1 1 359.474 1.509 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H](C=C)CC)n[nH]1 ZINC001130232725 938765180 /nfs/dbraw/zinc/76/51/80/938765180.db2.gz PIULXCOYBOVTRD-PMPSAXMXSA-N 1 1 359.474 1.509 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](CC(C)C)OC)n1 ZINC001130232456 938765216 /nfs/dbraw/zinc/76/52/16/938765216.db2.gz IDLGNXHMIUYRRZ-ZNMIVQPWSA-N 1 1 365.478 1.130 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](CC(C)C)OC)n[nH]1 ZINC001130232456 938765217 /nfs/dbraw/zinc/76/52/17/938765217.db2.gz IDLGNXHMIUYRRZ-ZNMIVQPWSA-N 1 1 365.478 1.130 20 30 FDEDMO C=C[C@H](CC)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130233123 938765406 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PLRNQRBLDFYSIA-HOTGVXAUSA-N 1 1 361.490 1.733 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCC(C)C)[nH]1 ZINC001130240487 938768457 /nfs/dbraw/zinc/76/84/57/938768457.db2.gz RBQXDNDFXXBKED-HOTGVXAUSA-N 1 1 361.490 1.733 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)CC(C)C)[nH]1 ZINC001130245976 938771501 /nfs/dbraw/zinc/77/15/01/938771501.db2.gz AKCQYTILUXYDIY-GJZGRUSLSA-N 1 1 361.490 1.589 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H](C)COC)n1 ZINC001130247092 938772157 /nfs/dbraw/zinc/77/21/57/938772157.db2.gz UONOJUJJPAJQIE-ILXRZTDVSA-N 1 1 365.478 1.132 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H](C)COC)n[nH]1 ZINC001130247092 938772160 /nfs/dbraw/zinc/77/21/60/938772160.db2.gz UONOJUJJPAJQIE-ILXRZTDVSA-N 1 1 365.478 1.132 20 30 FDEDMO C=C(Cl)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COCCC)CC1 ZINC001130276777 938787792 /nfs/dbraw/zinc/78/77/92/938787792.db2.gz PFAVZZLBSJIKFK-QAPCUYQASA-N 1 1 371.909 1.641 20 30 FDEDMO 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1.890 20 30 FDEDMO COc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H](C)CCC#N)CC2)cc1 ZINC000602436306 553580928 /nfs/dbraw/zinc/58/09/28/553580928.db2.gz YRJCGTXDAZTQTM-HNNXBMFYSA-N 1 1 351.472 1.941 20 30 FDEDMO COc1ccc(S(=O)(=O)N2CC[NH+](C[C@H](C)CCC#N)CC2)cc1 ZINC000602436308 553581105 /nfs/dbraw/zinc/58/11/05/553581105.db2.gz YRJCGTXDAZTQTM-OAHLLOKOSA-N 1 1 351.472 1.941 20 30 FDEDMO N#Cc1cccc(C[NH2+]Cc2ccccc2OCCN2CCOCC2)n1 ZINC000602530009 553599702 /nfs/dbraw/zinc/59/97/02/553599702.db2.gz SJSXNXYCIJWJCY-UHFFFAOYSA-N 1 1 352.438 1.954 20 30 FDEDMO COc1ccc(C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)cc1OCCCC#N ZINC000602732939 553628729 /nfs/dbraw/zinc/62/87/29/553628729.db2.gz VWDMUVGXCZZFJO-BGYRXZFFSA-N 1 1 371.437 1.862 20 30 FDEDMO Cc1ncc(CNC(=O)CC[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000602839516 553648248 /nfs/dbraw/zinc/64/82/48/553648248.db2.gz KDZZEMIGXNQHLQ-OAHLLOKOSA-N 1 1 371.466 1.878 20 30 FDEDMO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602857796 553652571 /nfs/dbraw/zinc/65/25/71/553652571.db2.gz VCKNHQVVNGODEK-UXLLHSPISA-N 1 1 361.442 1.131 20 30 FDEDMO C[N@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](CO)C1 ZINC000602905858 553665971 /nfs/dbraw/zinc/66/59/71/553665971.db2.gz UIIKILJLSSTOAJ-ZDUSSCGKSA-N 1 1 362.499 1.435 20 30 FDEDMO CN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](CO)C1 ZINC000602905858 553665973 /nfs/dbraw/zinc/66/59/73/553665973.db2.gz UIIKILJLSSTOAJ-ZDUSSCGKSA-N 1 1 362.499 1.435 20 30 FDEDMO N#Cc1ccc(C2CC[NH+](CC(=O)NC(=O)NC3CCCC3)CC2)nc1 ZINC000602909796 553666323 /nfs/dbraw/zinc/66/63/23/553666323.db2.gz OTQRPTQYZDEZPS-UHFFFAOYSA-N 1 1 355.442 1.901 20 30 FDEDMO C[C@]12C[N@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@@]1(C)C(=O)NC2=O ZINC000602937089 553674173 /nfs/dbraw/zinc/67/41/73/553674173.db2.gz PXAQTNIAXHHORJ-YSGRDPCXSA-N 1 1 366.421 1.038 20 30 FDEDMO CC1CC(n2nnc3c2C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CC3)C1 ZINC000602986604 553686481 /nfs/dbraw/zinc/68/64/81/553686481.db2.gz ILEHVWWMFSBJJP-UYSNPLJNSA-N 1 1 359.474 1.679 20 30 FDEDMO CC1CC(n2nnc3c2C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CC3)C1 ZINC000602986604 553686483 /nfs/dbraw/zinc/68/64/83/553686483.db2.gz ILEHVWWMFSBJJP-UYSNPLJNSA-N 1 1 359.474 1.679 20 30 FDEDMO Cn1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1=O ZINC000603015162 553694595 /nfs/dbraw/zinc/69/45/95/553694595.db2.gz CXVRRSPFTKCMDI-UHFFFAOYSA-N 1 1 365.437 1.997 20 30 FDEDMO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C[C@@H](C)N1CC#N ZINC000603102247 553708913 /nfs/dbraw/zinc/70/89/13/553708913.db2.gz ZAEHBHFUMONZLG-ZHALLVOQSA-N 1 1 355.486 1.738 20 30 FDEDMO C[C@](C#N)(NC(=O)C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)C1CC1 ZINC000603145117 553715396 /nfs/dbraw/zinc/71/53/96/553715396.db2.gz NBBLSVOYUNLMKW-DJIMGWMZSA-N 1 1 369.387 1.919 20 30 FDEDMO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)n1cc(CCC#N)nn1 ZINC000603212468 553733793 /nfs/dbraw/zinc/73/37/93/553733793.db2.gz SVZJYDSTQFZGAH-DOTOQJQBSA-N 1 1 352.442 1.686 20 30 FDEDMO N#Cc1ccc(Cn2cc(C[N@H+]3CCC[C@H]3CO)nn2)c(OC(F)F)c1 ZINC000603235938 553738725 /nfs/dbraw/zinc/73/87/25/553738725.db2.gz KHFUXKUQQUHWOJ-HNNXBMFYSA-N 1 1 363.368 1.756 20 30 FDEDMO N#Cc1ccc(Cn2cc(C[N@@H+]3CCC[C@H]3CO)nn2)c(OC(F)F)c1 ZINC000603235938 553738727 /nfs/dbraw/zinc/73/87/27/553738727.db2.gz KHFUXKUQQUHWOJ-HNNXBMFYSA-N 1 1 363.368 1.756 20 30 FDEDMO C[N@H+]1CCCN(CCCNS(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000603401694 553780405 /nfs/dbraw/zinc/78/04/05/553780405.db2.gz FTMULTLZNWJOBV-UHFFFAOYSA-N 1 1 354.451 1.003 20 30 FDEDMO N#Cc1ccc(CCC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000603408131 553781558 /nfs/dbraw/zinc/78/15/58/553781558.db2.gz CAKMXFHKNWJWGG-HXUWFJFHSA-N 1 1 370.497 1.404 20 30 FDEDMO N#Cc1cccc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000603423131 553784822 /nfs/dbraw/zinc/78/48/22/553784822.db2.gz MIJADNRHHGYBIN-MRXNPFEDSA-N 1 1 359.430 1.675 20 30 FDEDMO Cn1cccc1C(=O)N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000603887794 553824813 /nfs/dbraw/zinc/82/48/13/553824813.db2.gz OEDVVXYNBSMGHO-UHFFFAOYSA-N 1 1 365.437 1.683 20 30 FDEDMO N#CCc1ccc(OC[C@H](O)C[NH+]2CCN(c3cccnn3)CC2)cc1 ZINC000608781897 554318484 /nfs/dbraw/zinc/31/84/84/554318484.db2.gz KKVNJHOGVCTQQR-QGZVFWFLSA-N 1 1 353.426 1.105 20 30 FDEDMO N#Cc1ccc(N2CCC(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)nc1 ZINC000608991478 554332245 /nfs/dbraw/zinc/33/22/45/554332245.db2.gz GMGUVQHFLAMLOQ-MSOLQXFVSA-N 1 1 368.485 1.848 20 30 FDEDMO COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000609269424 554353872 /nfs/dbraw/zinc/35/38/72/554353872.db2.gz QDSLRAZAHQYOOG-MJGOQNOKSA-N 1 1 356.470 1.754 20 30 FDEDMO C[NH+]1CCN([C@@H](C(=O)NC2CCN(CC#N)CC2)c2ccccc2)CC1 ZINC000609329025 554365852 /nfs/dbraw/zinc/36/58/52/554365852.db2.gz UCTYMRSKCBKYLA-LJQANCHMSA-N 1 1 355.486 1.079 20 30 FDEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000609457519 554378510 /nfs/dbraw/zinc/37/85/10/554378510.db2.gz WAFGSEMLGFMZAX-MKXGPGLRSA-N 1 1 364.534 1.813 20 30 FDEDMO C[N@H+]1CCCC[C@@H]1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N ZINC000609492248 554383515 /nfs/dbraw/zinc/38/35/15/554383515.db2.gz JFZRLTZWWYZQFP-GOSISDBHSA-N 1 1 366.469 1.859 20 30 FDEDMO C[NH+]1CCN(CC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000609550871 554391775 /nfs/dbraw/zinc/39/17/75/554391775.db2.gz HFFZMBKKGAHXGT-UHFFFAOYSA-N 1 1 351.410 1.931 20 30 FDEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)C(C)(C)CO ZINC000609895005 554435625 /nfs/dbraw/zinc/43/56/25/554435625.db2.gz YNIJNPIREPZMJC-UHFFFAOYSA-N 1 1 350.463 1.654 20 30 FDEDMO C[C@@H](C#N)CNC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000610698024 554551279 /nfs/dbraw/zinc/55/12/79/554551279.db2.gz GZILVYOKQVOFNL-HNNXBMFYSA-N 1 1 372.473 1.178 20 30 FDEDMO CC(C)N1CC[NH+]([C@H]2CCN(c3ncnc4c3cnn4CCC#N)C2)CC1 ZINC000610726034 554554664 /nfs/dbraw/zinc/55/46/64/554554664.db2.gz CDNQSFCEPGUSAX-INIZCTEOSA-N 1 1 368.489 1.345 20 30 FDEDMO C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000610899703 554577388 /nfs/dbraw/zinc/57/73/88/554577388.db2.gz DFVVHQWGJBHJNW-KXBFYZLASA-N 1 1 372.469 1.830 20 30 FDEDMO C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610899703 554577389 /nfs/dbraw/zinc/57/73/89/554577389.db2.gz DFVVHQWGJBHJNW-KXBFYZLASA-N 1 1 372.469 1.830 20 30 FDEDMO COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000610901078 554578208 /nfs/dbraw/zinc/57/82/08/554578208.db2.gz ZLPJTECSDUUPOA-RDTXWAMCSA-N 1 1 361.442 1.561 20 30 FDEDMO COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000610901078 554578209 /nfs/dbraw/zinc/57/82/09/554578209.db2.gz ZLPJTECSDUUPOA-RDTXWAMCSA-N 1 1 361.442 1.561 20 30 FDEDMO C[NH+]1CCN(c2nc3ccccc3nc2NC2CCN(CC#N)CC2)CC1 ZINC000611203170 554614758 /nfs/dbraw/zinc/61/47/58/554614758.db2.gz ANAVAWPSBCPTJR-UHFFFAOYSA-N 1 1 365.485 1.781 20 30 FDEDMO COCC(=O)NC1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000611515381 554640322 /nfs/dbraw/zinc/64/03/22/554640322.db2.gz WPOAYRRHIALMCD-SFHVURJKSA-N 1 1 370.453 1.281 20 30 FDEDMO Cn1ccnc1[C@@H]([NH2+]C1CCN(CC#N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000611560578 554646395 /nfs/dbraw/zinc/64/63/95/554646395.db2.gz QEGIOBXLKFMVCF-KRWDZBQOSA-N 1 1 354.414 1.995 20 30 FDEDMO N#Cc1ncn(CC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000612358327 554766681 /nfs/dbraw/zinc/76/66/81/554766681.db2.gz RNNZDUMXWVOLDL-KZNAEPCWSA-N 1 1 364.453 1.567 20 30 FDEDMO CC(C)(C#N)c1ccc(C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000614160340 555017541 /nfs/dbraw/zinc/01/75/41/555017541.db2.gz QBYGQTOEKUBADI-UHFFFAOYSA-N 1 1 370.497 1.464 20 30 FDEDMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CC[C@](F)(C#N)C1 ZINC000615540012 555209652 /nfs/dbraw/zinc/20/96/52/555209652.db2.gz CRIKGAUTSRIQAO-APWZRJJASA-N 1 1 359.449 1.844 20 30 FDEDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000615634951 555223824 /nfs/dbraw/zinc/22/38/24/555223824.db2.gz WKMIGRPUWNWQAQ-RWQQGDIJSA-N 1 1 358.438 1.766 20 30 FDEDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000615634951 555223825 /nfs/dbraw/zinc/22/38/25/555223825.db2.gz WKMIGRPUWNWQAQ-RWQQGDIJSA-N 1 1 358.438 1.766 20 30 FDEDMO N#Cc1cccc(C2(NC(=O)C(=O)Nc3ccnn3-c3cc[nH+]cc3)CC2)c1 ZINC000618041079 555560175 /nfs/dbraw/zinc/56/01/75/555560175.db2.gz PNGBDBXDRXXBMN-UHFFFAOYSA-N 1 1 372.388 1.883 20 30 FDEDMO C[C@@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)CN1CC[NH+](C)CC1 ZINC000618815581 555680792 /nfs/dbraw/zinc/68/07/92/555680792.db2.gz JTGMXLUYCVBMTQ-KXBFYZLASA-N 1 1 355.486 1.728 20 30 FDEDMO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000619064271 555719542 /nfs/dbraw/zinc/71/95/42/555719542.db2.gz FVSHKFRZEKEKSG-HNNXBMFYSA-N 1 1 357.458 1.654 20 30 FDEDMO C=CCn1cc(C(=O)NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)nn1 ZINC000619063625 555719612 /nfs/dbraw/zinc/71/96/12/555719612.db2.gz XNHPRXWIMDPNKJ-UHFFFAOYSA-N 1 1 366.469 1.549 20 30 FDEDMO C[N@H+]1CCN(CCNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1(C)C ZINC000619675510 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/nfs/dbraw/zinc/67/24/77/938672477.db2.gz IMDIUEGZCPTLTR-CABCVRRESA-N 1 1 355.446 1.112 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](C)OCCC(C)C)C[C@@H]1n1ccnn1 ZINC001130150858 938715374 /nfs/dbraw/zinc/71/53/74/938715374.db2.gz CXRBCDBGJZAJHF-XHSDSOJGSA-N 1 1 369.897 1.823 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccccc2F)[nH]1 ZINC001130177864 938725563 /nfs/dbraw/zinc/72/55/63/938725563.db2.gz YSEHMGTVGXBYRW-HOCLYGCPSA-N 1 1 371.416 1.359 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccccn2)n1 ZINC001130181888 938729244 /nfs/dbraw/zinc/72/92/44/938729244.db2.gz VYCABZDHWGIAAN-ZFWWWQNUSA-N 1 1 356.430 1.168 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccccn2)n[nH]1 ZINC001130181888 938729246 /nfs/dbraw/zinc/72/92/46/938729246.db2.gz VYCABZDHWGIAAN-ZFWWWQNUSA-N 1 1 356.430 1.168 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)no2)n1 ZINC001130186439 938732224 /nfs/dbraw/zinc/73/22/24/938732224.db2.gz CZBIERZXNNSXLR-JSGCOSHPSA-N 1 1 360.418 1.069 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)no2)n[nH]1 ZINC001130186439 938732226 /nfs/dbraw/zinc/73/22/26/938732226.db2.gz CZBIERZXNNSXLR-JSGCOSHPSA-N 1 1 360.418 1.069 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc[nH]2)[nH]1 ZINC001130187004 938732632 /nfs/dbraw/zinc/73/26/32/938732632.db2.gz RAIVXMXEABDDOZ-AAEUAGOBSA-N 1 1 364.837 1.277 20 30 FDEDMO C=CCCO[C@@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCC)n[nH]1 ZINC001130190825 938736062 /nfs/dbraw/zinc/73/60/62/938736062.db2.gz OZEAAYCSKVIDCU-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCC)n1 ZINC001130190825 938736064 /nfs/dbraw/zinc/73/60/64/938736064.db2.gz OZEAAYCSKVIDCU-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)OCCCC)n1 ZINC001130192932 938737310 /nfs/dbraw/zinc/73/73/10/938737310.db2.gz BLKYMXRXFGIVED-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)OCCCC)n[nH]1 ZINC001130192932 938737311 /nfs/dbraw/zinc/73/73/11/938737311.db2.gz BLKYMXRXFGIVED-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](CC)OC)n1 ZINC001130193186 938737682 /nfs/dbraw/zinc/73/76/82/938737682.db2.gz LVFTXZQCVHWQNH-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](CC)OC)n[nH]1 ZINC001130193186 938737685 /nfs/dbraw/zinc/73/76/85/938737685.db2.gz LVFTXZQCVHWQNH-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cncc(C)c2)n1 ZINC001130195948 938739215 /nfs/dbraw/zinc/73/92/15/938739215.db2.gz KDWPQGVPQQDPRA-HOTGVXAUSA-N 1 1 370.457 1.476 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cncc(C)c2)n[nH]1 ZINC001130195948 938739218 /nfs/dbraw/zinc/73/92/18/938739218.db2.gz KDWPQGVPQQDPRA-HOTGVXAUSA-N 1 1 370.457 1.476 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc[nH]c2C)n1 ZINC001130196172 938739567 /nfs/dbraw/zinc/73/95/67/938739567.db2.gz VHZJFSMOWKWSHQ-GJZGRUSLSA-N 1 1 358.446 1.409 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc[nH]c2C)n[nH]1 ZINC001130196172 938739569 /nfs/dbraw/zinc/73/95/69/938739569.db2.gz VHZJFSMOWKWSHQ-GJZGRUSLSA-N 1 1 358.446 1.409 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)n1 ZINC001130198224 938740209 /nfs/dbraw/zinc/74/02/09/938740209.db2.gz ATKIRDTWGDZCPU-CEEVZKBLSA-N 1 1 359.474 1.505 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC001130198224 938740211 /nfs/dbraw/zinc/74/02/11/938740211.db2.gz ATKIRDTWGDZCPU-CEEVZKBLSA-N 1 1 359.474 1.505 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C=Cc2ccc[nH]2)n1 ZINC001130204625 938745413 /nfs/dbraw/zinc/74/54/13/938745413.db2.gz ABIQIPHNKVRQSI-WHJWBVKISA-N 1 1 356.430 1.111 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=Cc2ccc[nH]2)n[nH]1 ZINC001130204625 938745415 /nfs/dbraw/zinc/74/54/15/938745415.db2.gz ABIQIPHNKVRQSI-WHJWBVKISA-N 1 1 356.430 1.111 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C=Cc2ccc[nH]2)n1 ZINC001130204624 938745445 /nfs/dbraw/zinc/74/54/45/938745445.db2.gz ABIQIPHNKVRQSI-LUNKNMTDSA-N 1 1 356.430 1.111 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=Cc2ccc[nH]2)n[nH]1 ZINC001130204624 938745446 /nfs/dbraw/zinc/74/54/46/938745446.db2.gz ABIQIPHNKVRQSI-LUNKNMTDSA-N 1 1 356.430 1.111 20 30 FDEDMO C#CCCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130205336 938746175 /nfs/dbraw/zinc/74/61/75/938746175.db2.gz WRRBGJPXBAZZBA-GJZGRUSLSA-N 1 1 365.453 1.436 20 30 FDEDMO C#CCCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1 ZINC001130205336 938746178 /nfs/dbraw/zinc/74/61/78/938746178.db2.gz WRRBGJPXBAZZBA-GJZGRUSLSA-N 1 1 365.453 1.436 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C(F)F)CC2)n1 ZINC001130212747 938749561 /nfs/dbraw/zinc/74/95/61/938749561.db2.gz ASJAAAZEAFVAKM-QWRGUYRKSA-N 1 1 355.389 1.114 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(C(F)F)CC2)n[nH]1 ZINC001130212747 938749562 /nfs/dbraw/zinc/74/95/62/938749562.db2.gz ASJAAAZEAFVAKM-QWRGUYRKSA-N 1 1 355.389 1.114 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCC3(CC3)C2)[nH]1 ZINC001130212876 938750004 /nfs/dbraw/zinc/75/00/04/938750004.db2.gz IUJJAYBYAZPZLA-PMPSAXMXSA-N 1 1 371.485 1.487 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)C(C)(C)C)[nH]1 ZINC001130221044 938756399 /nfs/dbraw/zinc/75/63/99/938756399.db2.gz QTWQLBOLPHTWLX-KKUMJFAQSA-N 1 1 361.490 1.589 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC2(F)F)n1 ZINC001130221174 938756746 /nfs/dbraw/zinc/75/67/46/938756746.db2.gz YEUVQJLEAUEUEE-XQQFMLRXSA-N 1 1 369.416 1.504 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CCC2(F)F)n[nH]1 ZINC001130221174 938756748 /nfs/dbraw/zinc/75/67/48/938756748.db2.gz YEUVQJLEAUEUEE-XQQFMLRXSA-N 1 1 369.416 1.504 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)C2CCC2)[nH]1 ZINC001130221139 938756786 /nfs/dbraw/zinc/75/67/86/938756786.db2.gz WGQAAVOVNXOVII-KBMXLJTQSA-N 1 1 359.474 1.343 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCC23CC3)n1 ZINC001130221162 938756798 /nfs/dbraw/zinc/75/67/98/938756798.db2.gz XMYPNEDCZAJTEP-ZNMIVQPWSA-N 1 1 359.474 1.649 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CCCC23CC3)n[nH]1 ZINC001130221162 938756799 /nfs/dbraw/zinc/75/67/99/938756799.db2.gz XMYPNEDCZAJTEP-ZNMIVQPWSA-N 1 1 359.474 1.649 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2conc2C)n1 ZINC001130232916 938765357 /nfs/dbraw/zinc/76/53/57/938765357.db2.gz TYRBVNPSKPUAFG-JSGCOSHPSA-N 1 1 360.418 1.069 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2conc2C)n[nH]1 ZINC001130232916 938765358 /nfs/dbraw/zinc/76/53/58/938765358.db2.gz TYRBVNPSKPUAFG-JSGCOSHPSA-N 1 1 360.418 1.069 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](OC)C(C)C)n1 ZINC001130234953 938766342 /nfs/dbraw/zinc/76/63/42/938766342.db2.gz QPRTTWGPVKMSFW-OFQRWUPVSA-N 1 1 365.478 1.130 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](OC)C(C)C)n[nH]1 ZINC001130234953 938766343 /nfs/dbraw/zinc/76/63/43/938766343.db2.gz QPRTTWGPVKMSFW-OFQRWUPVSA-N 1 1 365.478 1.130 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(F)c(C)c2)[nH]1 ZINC001130237752 938767172 /nfs/dbraw/zinc/76/71/72/938767172.db2.gz CSBVANAEJMYGHB-HOCLYGCPSA-N 1 1 371.416 1.278 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(F)c(C)c2)n[nH]1 ZINC001130237752 938767173 /nfs/dbraw/zinc/76/71/73/938767173.db2.gz CSBVANAEJMYGHB-HOCLYGCPSA-N 1 1 371.416 1.278 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C(C)(F)F)n1 ZINC001130237953 938767584 /nfs/dbraw/zinc/76/75/84/938767584.db2.gz LUPYVLDCVONIDQ-AGIUHOORSA-N 1 1 371.432 1.750 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)C(C)(F)F)n[nH]1 ZINC001130237953 938767586 /nfs/dbraw/zinc/76/75/86/938767586.db2.gz LUPYVLDCVONIDQ-AGIUHOORSA-N 1 1 371.432 1.750 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)c2ccco2)[nH]1 ZINC001130238152 938767688 /nfs/dbraw/zinc/76/76/88/938767688.db2.gz WBLCBWCXJKCQKU-YCPHGPKFSA-N 1 1 371.441 1.303 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2nccs2)n1 ZINC001130244936 938770805 /nfs/dbraw/zinc/77/08/05/938770805.db2.gz RTFYJZCOLHFNRV-RYUDHWBXSA-N 1 1 362.459 1.229 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2nccs2)n[nH]1 ZINC001130244936 938770806 /nfs/dbraw/zinc/77/08/06/938770806.db2.gz RTFYJZCOLHFNRV-RYUDHWBXSA-N 1 1 362.459 1.229 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H](C)C2CC2)n1 ZINC001130251337 938774437 /nfs/dbraw/zinc/77/44/37/938774437.db2.gz OOQBRYVJAQWHOT-BPUTZDHNSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H](C)C2CC2)n[nH]1 ZINC001130251337 938774438 /nfs/dbraw/zinc/77/44/38/938774438.db2.gz OOQBRYVJAQWHOT-BPUTZDHNSA-N 1 1 361.490 1.895 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c(C)cccc2F)[nH]1 ZINC001130253836 938775472 /nfs/dbraw/zinc/77/54/72/938775472.db2.gz RSHXJUWXLWDLQH-ZFWWWQNUSA-N 1 1 371.416 1.278 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c(C)cccc2F)n[nH]1 ZINC001130253836 938775474 /nfs/dbraw/zinc/77/54/74/938775474.db2.gz RSHXJUWXLWDLQH-ZFWWWQNUSA-N 1 1 371.416 1.278 20 30 FDEDMO COCC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001130401862 938836697 /nfs/dbraw/zinc/83/66/97/938836697.db2.gz PMHAOKZELHDIJF-LNLFQRSKSA-N 1 1 370.497 1.901 20 30 FDEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001130419626 938848428 /nfs/dbraw/zinc/84/84/28/938848428.db2.gz DMKRXNCMMFLKAW-BFYDXBDKSA-N 1 1 371.485 1.001 20 30 FDEDMO 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883758024 /nfs/dbraw/zinc/75/80/24/883758024.db2.gz YUPJASVGBZCRKQ-KYJSFNMBSA-N 1 1 367.457 1.045 20 30 FDEDMO Cc1ccc(CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cc1C#N ZINC000917816029 883808743 /nfs/dbraw/zinc/80/87/43/883808743.db2.gz HWXWDQKSVMDDIP-UHFFFAOYSA-N 1 1 357.458 1.219 20 30 FDEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1O ZINC001083998949 912755113 /nfs/dbraw/zinc/75/51/13/912755113.db2.gz XCYQLRDMSQBAKK-QGTPRVQTSA-N 1 1 362.420 1.807 20 30 FDEDMO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001034211951 883937383 /nfs/dbraw/zinc/93/73/83/883937383.db2.gz FGKGVVKDFAAXPK-AYOQOUSVSA-N 1 1 368.481 1.944 20 30 FDEDMO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001034211951 883937391 /nfs/dbraw/zinc/93/73/91/883937391.db2.gz FGKGVVKDFAAXPK-AYOQOUSVSA-N 1 1 368.481 1.944 20 30 FDEDMO CC(=O)OCCn1c2c(cc(C#N)c1=O)C[N@H+](Cc1ccccc1)CC2 ZINC000918096336 884078629 /nfs/dbraw/zinc/07/86/29/884078629.db2.gz SYDHWRBCANUMGX-UHFFFAOYSA-N 1 1 351.406 1.841 20 30 FDEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1n1ccnn1 ZINC001128939429 884183356 /nfs/dbraw/zinc/18/33/56/884183356.db2.gz QQGYGGADAKIOLI-BBWFWOEESA-N 1 1 359.474 1.238 20 30 FDEDMO COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001034397968 884292612 /nfs/dbraw/zinc/29/26/12/884292612.db2.gz FMZNWFQVVGCKGP-BBWFWOEESA-N 1 1 370.453 1.159 20 30 FDEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001034397968 884292633 /nfs/dbraw/zinc/29/26/33/884292633.db2.gz FMZNWFQVVGCKGP-BBWFWOEESA-N 1 1 370.453 1.159 20 30 FDEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001034398387 884293868 /nfs/dbraw/zinc/29/38/68/884293868.db2.gz OCEXFEPNGYMATI-FGTMMUONSA-N 1 1 363.502 1.703 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCN2CCCC2=O)C1 ZINC001034409869 884313173 /nfs/dbraw/zinc/31/31/73/884313173.db2.gz ZGRWNMNDMLRLCY-KSZLIROESA-N 1 1 363.502 1.561 20 30 FDEDMO CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC001034435567 884364902 /nfs/dbraw/zinc/36/49/02/884364902.db2.gz KARCDOJXRWZBFT-CMKODMSKSA-N 1 1 368.481 1.595 20 30 FDEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](OC)C2CCC2)C[C@@H]1O ZINC001083999458 912823707 /nfs/dbraw/zinc/82/37/07/912823707.db2.gz QSWCJMGRUSQSMB-HSALFYBXSA-N 1 1 356.466 1.187 20 30 FDEDMO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)nc2C)C[C@@H]1n1ccnn1 ZINC001128957697 884450330 /nfs/dbraw/zinc/45/03/30/884450330.db2.gz DGXIYQQMKYGAGS-MOPGFXCFSA-N 1 1 366.469 1.635 20 30 FDEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C)nc2C)C[C@@H]1n1ccnn1 ZINC001128957697 884450337 /nfs/dbraw/zinc/45/03/37/884450337.db2.gz DGXIYQQMKYGAGS-MOPGFXCFSA-N 1 1 366.469 1.635 20 30 FDEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2)C[C@@H]1n1ccnn1 ZINC001128962257 884485817 /nfs/dbraw/zinc/48/58/17/884485817.db2.gz RAIVLQYWKFWXDF-WSTZPKSXSA-N 1 1 369.469 1.455 20 30 FDEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@@H]1n1ccnn1 ZINC001128961694 884486119 /nfs/dbraw/zinc/48/61/19/884486119.db2.gz GVVYZUMKLLMKME-AOIWGVFYSA-N 1 1 359.474 1.447 20 30 FDEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C)C[C@@H]1n1ccnn1 ZINC001128979974 884566619 /nfs/dbraw/zinc/56/66/19/884566619.db2.gz IEGKOYFGKURPLE-UHOSZYNNSA-N 1 1 367.453 1.167 20 30 FDEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001128984920 884692269 /nfs/dbraw/zinc/69/22/69/884692269.db2.gz CFMCKYKAMWRVQY-JQHSSLGASA-N 1 1 361.490 1.791 20 30 FDEDMO CO[C@@H](C[N@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@@H](n2ccnn2)C1)C1CCCC1 ZINC001128984998 884699551 /nfs/dbraw/zinc/69/95/51/884699551.db2.gz GJYJIRVSVXMBSQ-QYZOEREBSA-N 1 1 371.485 1.238 20 30 FDEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@@H]1n1ccnn1 ZINC001128989194 884804412 /nfs/dbraw/zinc/80/44/12/884804412.db2.gz MIKYVLSGZPHRHH-JQHSSLGASA-N 1 1 359.474 1.238 20 30 FDEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3n[nH]cc32)[C@@H](n2ccnn2)C1 ZINC001128993929 884901957 /nfs/dbraw/zinc/90/19/57/884901957.db2.gz ZJRQZRSFDGFCGG-QGTPRVQTSA-N 1 1 369.473 1.429 20 30 FDEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](C[C@H](C)CC(C)C)C[C@@H]1n1ccnn1 ZINC001128998733 884935860 /nfs/dbraw/zinc/93/58/60/884935860.db2.gz DUKZCFHDKQPDRV-KURKYZTESA-N 1 1 361.490 1.342 20 30 FDEDMO Cc1onc(CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1C#N ZINC000498515549 885108474 /nfs/dbraw/zinc/10/84/74/885108474.db2.gz UNSIRTCKYKEIRL-UHFFFAOYSA-N 1 1 354.410 1.546 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2c(F)cncc2F)[C@@H](n2ccnn2)C1 ZINC001129019879 885248929 /nfs/dbraw/zinc/24/89/29/885248929.db2.gz COUVHFMFOBRHAB-CABCVRRESA-N 1 1 362.384 1.573 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3cccc(OC)c3)C[C@@H]2O)nc1 ZINC001083969618 912917288 /nfs/dbraw/zinc/91/72/88/912917288.db2.gz LXGDYQGHMLNPBK-KPOBHBOGSA-N 1 1 365.433 1.608 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3cccc(OC)c3)C[C@@H]2O)nc1 ZINC001083969618 912917293 /nfs/dbraw/zinc/91/72/93/912917293.db2.gz LXGDYQGHMLNPBK-KPOBHBOGSA-N 1 1 365.433 1.608 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C3CC3)C[C@@H]2O)nc1 ZINC001083969489 912917801 /nfs/dbraw/zinc/91/78/01/912917801.db2.gz FSFNGEKUHZCZAW-RTWAWAEBSA-N 1 1 361.445 1.915 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](OC)C3CCCC3)C[C@@H]2O)nc1 ZINC001083969792 912918890 /nfs/dbraw/zinc/91/88/90/912918890.db2.gz UZSVHWVWRHFETO-CEXWTWQISA-N 1 1 357.454 1.043 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)CC(F)F)[C@@H](n2ccnn2)C1 ZINC001129053411 885582603 /nfs/dbraw/zinc/58/26/03/885582603.db2.gz YHZCUNOCEJQLRJ-ZNMIVQPWSA-N 1 1 371.432 1.504 20 30 FDEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC(C)(C)C1 ZINC001089490461 885609414 /nfs/dbraw/zinc/60/94/14/885609414.db2.gz BIVSXFINOGDOQD-ZACQAIPSSA-N 1 1 363.502 1.252 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2(C(F)(F)F)CCC2)[C@@H](n2ccnn2)C1 ZINC001129071628 885692502 /nfs/dbraw/zinc/69/25/02/885692502.db2.gz HGZQEFWDFOJTAJ-OLZOCXBDSA-N 1 1 357.380 1.928 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C2(C(F)(F)F)CCC2)[C@@H](n2ccnn2)C1 ZINC001129071628 885692513 /nfs/dbraw/zinc/69/25/13/885692513.db2.gz HGZQEFWDFOJTAJ-OLZOCXBDSA-N 1 1 357.380 1.928 20 30 FDEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C2(COCC)CC2)[C@@H](n2ccnn2)C1 ZINC001129084653 885712460 /nfs/dbraw/zinc/71/24/60/885712460.db2.gz RGQQMCXPTHWTJD-BBWFWOEESA-N 1 1 361.490 1.791 20 30 FDEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ncc(OC)cn2)[C@@H](n2ccnn2)C1 ZINC001129094078 885726010 /nfs/dbraw/zinc/72/60/10/885726010.db2.gz YPGGTMLGSXCLML-BMFZPTHFSA-N 1 1 371.445 1.087 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cn4ccccc4n3)[C@@H](O)C2)cc1 ZINC001084023864 912971230 /nfs/dbraw/zinc/97/12/30/912971230.db2.gz FFZKHAGUUJSHKM-AEFFLSMTSA-N 1 1 361.405 1.181 20 30 FDEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cn4ccccc4n3)[C@@H](O)C2)cc1 ZINC001084023864 912971235 /nfs/dbraw/zinc/97/12/35/912971235.db2.gz FFZKHAGUUJSHKM-AEFFLSMTSA-N 1 1 361.405 1.181 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CC(=O)N3CCC3)C2)CC1 ZINC001035230316 885816079 /nfs/dbraw/zinc/81/60/79/885816079.db2.gz GYMQRPPLJWRNNU-SJORKVTESA-N 1 1 361.486 1.124 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2c(C)c(C)n[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001129144855 885866797 /nfs/dbraw/zinc/86/67/97/885866797.db2.gz VKLHBOBSTQCELK-CABCVRRESA-N 1 1 371.445 1.012 20 30 FDEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](OCC)C2CC2)C[C@@H]1n1ccnn1 ZINC001129159082 885890359 /nfs/dbraw/zinc/89/03/59/885890359.db2.gz CLFNLKJQRRKUPH-IXDOHACOSA-N 1 1 361.490 1.647 20 30 FDEDMO C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001035401352 885972219 /nfs/dbraw/zinc/97/22/19/885972219.db2.gz AAAXJPBBSGMVQU-KSZLIROESA-N 1 1 363.502 1.561 20 30 FDEDMO C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001035401352 885972223 /nfs/dbraw/zinc/97/22/23/885972223.db2.gz AAAXJPBBSGMVQU-KSZLIROESA-N 1 1 363.502 1.561 20 30 FDEDMO CC#CCN1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001035517387 886111195 /nfs/dbraw/zinc/11/11/95/886111195.db2.gz SLGNYPYXRPCJJZ-ZCNNSNEGSA-N 1 1 355.482 1.172 20 30 FDEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1n1ccnn1 ZINC001129189688 886159344 /nfs/dbraw/zinc/15/93/44/886159344.db2.gz VJQRQLADBBDEMT-KFWWJZLASA-N 1 1 371.432 1.504 20 30 FDEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1n1ccnn1 ZINC001129189688 886159350 /nfs/dbraw/zinc/15/93/50/886159350.db2.gz VJQRQLADBBDEMT-KFWWJZLASA-N 1 1 371.432 1.504 20 30 FDEDMO C[C@H](Nc1ncccc1C#N)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001061889407 886220697 /nfs/dbraw/zinc/22/06/97/886220697.db2.gz DSJAYMRNJMQEDH-RVKKMQEKSA-N 1 1 371.485 1.711 20 30 FDEDMO C[C@H](Nc1ncccc1C#N)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001061889407 886220717 /nfs/dbraw/zinc/22/07/17/886220717.db2.gz DSJAYMRNJMQEDH-RVKKMQEKSA-N 1 1 371.485 1.711 20 30 FDEDMO C[C@@H](Nc1ccncc1C#N)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001061890421 886228640 /nfs/dbraw/zinc/22/86/40/886228640.db2.gz ZSJOGBIVKUDQLI-IIDMSEBBSA-N 1 1 355.486 1.754 20 30 FDEDMO C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)CC2 ZINC001035707169 886338406 /nfs/dbraw/zinc/33/84/06/886338406.db2.gz DTMROVYGRBQNBT-MOPGFXCFSA-N 1 1 361.530 1.844 20 30 FDEDMO O=C(N1CCC2(C[NH+](CC#Cc3ccccc3)C2)CC1)[C@]12C[C@H]1COC2 ZINC001035710277 886352391 /nfs/dbraw/zinc/35/23/91/886352391.db2.gz FUNIEUGLWMSREX-UGKGYDQZSA-N 1 1 350.462 1.999 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(C[NH+]([C@H]3CCNC3=O)C2)CC1 ZINC001035814948 886500883 /nfs/dbraw/zinc/50/08/83/886500883.db2.gz WTBVWZVFAMMILT-ULQDDVLXSA-N 1 1 361.486 1.171 20 30 FDEDMO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2conc2C)[C@@H](n2ccnn2)C1 ZINC001129220350 886629818 /nfs/dbraw/zinc/62/98/18/886629818.db2.gz VULKZMSLMZWJPV-SJORKVTESA-N 1 1 358.446 1.976 20 30 FDEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CCC[C@@H](C)O)C[C@@H]2n2ccnn2)CC1 ZINC001129228322 886706732 /nfs/dbraw/zinc/70/67/32/886706732.db2.gz NJTQISYVIYQXRJ-NXHRZFHOSA-N 1 1 361.490 1.527 20 30 FDEDMO C=CCCC1(C(=O)N[C@@H]2C[N@H+](CCC[C@@H](C)O)C[C@@H]2n2ccnn2)CC1 ZINC001129239134 886749835 /nfs/dbraw/zinc/74/98/35/886749835.db2.gz PZPIZBNWINZEGQ-ZACQAIPSSA-N 1 1 361.490 1.527 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Oc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001129252663 886864094 /nfs/dbraw/zinc/86/40/94/886864094.db2.gz GLOZDCCJBAFWNP-JQHSSLGASA-N 1 1 370.457 1.448 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)c2cccc(F)c2)[C@@H](n2ccnn2)C1 ZINC001129252725 886866650 /nfs/dbraw/zinc/86/66/50/886866650.db2.gz HYWPRPRIFXUELX-LZQZEXGQSA-N 1 1 369.444 1.976 20 30 FDEDMO CCc1nc(C#N)cc(N(C)C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001062186033 886986600 /nfs/dbraw/zinc/98/66/00/886986600.db2.gz DOTDAEXXUXVLAL-BFYDXBDKSA-N 1 1 370.501 1.536 20 30 FDEDMO C[C@@H]1[C@H](C(=O)N2CCC(CN(C)c3nccnc3C#N)CC2)CC[N@H+]1C ZINC001062234837 886992283 /nfs/dbraw/zinc/99/22/83/886992283.db2.gz PVOGNPDGSJUZHC-GDBMZVCRSA-N 1 1 356.474 1.363 20 30 FDEDMO CCOc1ccccc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001084014477 913101929 /nfs/dbraw/zinc/10/19/29/913101929.db2.gz UAYPFLZMMHFWHR-MOPGFXCFSA-N 1 1 365.433 1.932 20 30 FDEDMO CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001084014477 913101931 /nfs/dbraw/zinc/10/19/31/913101931.db2.gz UAYPFLZMMHFWHR-MOPGFXCFSA-N 1 1 365.433 1.932 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001062293102 887033798 /nfs/dbraw/zinc/03/37/98/887033798.db2.gz SXVHFRCFSVJVGX-KURKYZTESA-N 1 1 365.518 1.807 20 30 FDEDMO C=CCN(C(=O)Cc1nnc(NC)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 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ZINC001130209853 938747949 /nfs/dbraw/zinc/74/79/49/938747949.db2.gz ODAHILANDHSAOB-BBRMVZONSA-N 1 1 371.441 1.376 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccoc2CC)n[nH]1 ZINC001130209853 938747950 /nfs/dbraw/zinc/74/79/50/938747950.db2.gz ODAHILANDHSAOB-BBRMVZONSA-N 1 1 371.441 1.376 20 30 FDEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC2CC2)n1 ZINC001130213074 938749913 /nfs/dbraw/zinc/74/99/13/938749913.db2.gz SHRCDSYKIVCDKL-PVAVHDDUSA-N 1 1 371.485 1.651 20 30 FDEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC2CC2)n[nH]1 ZINC001130213074 938749915 /nfs/dbraw/zinc/74/99/15/938749915.db2.gz SHRCDSYKIVCDKL-PVAVHDDUSA-N 1 1 371.485 1.651 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)cc2F)[nH]1 ZINC001130240313 938755830 /nfs/dbraw/zinc/75/58/30/938755830.db2.gz NFPOCJWJSDTLKP-HOCLYGCPSA-N 1 1 371.416 1.278 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C)cc2F)n[nH]1 ZINC001130240313 938755831 /nfs/dbraw/zinc/75/58/31/938755831.db2.gz NFPOCJWJSDTLKP-HOCLYGCPSA-N 1 1 371.416 1.278 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC23CC3)n1 ZINC001130239894 938756211 /nfs/dbraw/zinc/75/62/11/938756211.db2.gz BUHWACFOZNIQPX-KKUMJFAQSA-N 1 1 359.474 1.649 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC23CC3)n[nH]1 ZINC001130239894 938756212 /nfs/dbraw/zinc/75/62/12/938756212.db2.gz BUHWACFOZNIQPX-KKUMJFAQSA-N 1 1 359.474 1.649 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2C=CCCC2)[nH]1 ZINC001130220860 938756537 /nfs/dbraw/zinc/75/65/37/938756537.db2.gz OYJOCXKGLJEAMX-ULQDDVLXSA-N 1 1 371.485 1.653 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C3CC3)CC2)n1 ZINC001130223109 938757200 /nfs/dbraw/zinc/75/72/00/938757200.db2.gz MGKDKNGTSMBOKV-GJZGRUSLSA-N 1 1 357.458 1.097 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(C3CC3)CC2)n[nH]1 ZINC001130223109 938757201 /nfs/dbraw/zinc/75/72/01/938757201.db2.gz MGKDKNGTSMBOKV-GJZGRUSLSA-N 1 1 357.458 1.097 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2C[C@H]2C2CC2)n1 ZINC001130223426 938757510 /nfs/dbraw/zinc/75/75/10/938757510.db2.gz SZFHNIVYEKFMIU-QAETUUGQSA-N 1 1 371.485 1.343 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H]2C[C@H]2C2CC2)n[nH]1 ZINC001130223426 938757511 /nfs/dbraw/zinc/75/75/11/938757511.db2.gz SZFHNIVYEKFMIU-QAETUUGQSA-N 1 1 371.485 1.343 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)CC(F)F)n1 ZINC001130224908 938758996 /nfs/dbraw/zinc/75/89/96/938758996.db2.gz IKDLEBHFJWNPSL-AGIUHOORSA-N 1 1 371.432 1.750 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)CC(F)F)n[nH]1 ZINC001130224908 938758997 /nfs/dbraw/zinc/75/89/97/938758997.db2.gz IKDLEBHFJWNPSL-AGIUHOORSA-N 1 1 371.432 1.750 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]2(C)C=CCC2)n1 ZINC001130227685 938761580 /nfs/dbraw/zinc/76/15/80/938761580.db2.gz KCIGHKBMIXKUGA-YZVOILCLSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@]2(C)C=CCC2)n[nH]1 ZINC001130227685 938761582 /nfs/dbraw/zinc/76/15/82/938761582.db2.gz KCIGHKBMIXKUGA-YZVOILCLSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2CC=CCC2)n1 ZINC001130230443 938764247 /nfs/dbraw/zinc/76/42/47/938764247.db2.gz WFKLFBNGEGOPQK-PMPSAXMXSA-N 1 1 359.474 1.815 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H]2CC=CCC2)n[nH]1 ZINC001130230443 938764248 /nfs/dbraw/zinc/76/42/48/938764248.db2.gz WFKLFBNGEGOPQK-PMPSAXMXSA-N 1 1 359.474 1.815 20 30 FDEDMO C=C[C@@H](CC)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130233124 938765458 /nfs/dbraw/zinc/76/54/58/938765458.db2.gz YSIQNVKXXJACNF-KKUMJFAQSA-N 1 1 367.469 1.845 20 30 FDEDMO C=C[C@@H](CC)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1 ZINC001130233124 938765460 /nfs/dbraw/zinc/76/54/60/938765460.db2.gz YSIQNVKXXJACNF-KKUMJFAQSA-N 1 1 367.469 1.845 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2occc2C)[nH]1 ZINC001130234875 938766316 /nfs/dbraw/zinc/76/63/16/938766316.db2.gz NBMLRZXHHOGPNZ-HOCLYGCPSA-N 1 1 371.441 1.050 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CCC(=C)CC2)[nH]1 ZINC001130235074 938766620 /nfs/dbraw/zinc/76/66/20/938766620.db2.gz SWEWVWYRLVHIJQ-HOTGVXAUSA-N 1 1 357.458 1.263 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2CC)[nH]1 ZINC001130238203 938767672 /nfs/dbraw/zinc/76/76/72/938767672.db2.gz YQVOCCBQKCGKCW-RQJABVFESA-N 1 1 367.881 1.682 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2occc2CC)[nH]1 ZINC001130242159 938769185 /nfs/dbraw/zinc/76/91/85/938769185.db2.gz JNWPMULUGYHWJQ-GJZGRUSLSA-N 1 1 371.441 1.376 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2C2CC2)n1 ZINC001130242266 938769544 /nfs/dbraw/zinc/76/95/44/938769544.db2.gz OUKFGANNEKFGDU-NXOAAHMSSA-N 1 1 373.501 1.895 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]2C2CC2)n[nH]1 ZINC001130242266 938769545 /nfs/dbraw/zinc/76/95/45/938769545.db2.gz OUKFGANNEKFGDU-NXOAAHMSSA-N 1 1 373.501 1.895 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(CC)CC)[nH]1 ZINC001130244326 938770620 /nfs/dbraw/zinc/77/06/20/938770620.db2.gz GYOHXDOIQBHKKN-HOTGVXAUSA-N 1 1 361.490 1.733 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)C)[nH]1 ZINC001130248987 938773273 /nfs/dbraw/zinc/77/32/73/938773273.db2.gz DFUXCDBQVXGHNH-RYUDHWBXSA-N 1 1 355.870 1.682 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COCCC=C)n1 ZINC001130253514 938775364 /nfs/dbraw/zinc/77/53/64/938775364.db2.gz ADVSKWVMFWSVJW-GJZGRUSLSA-N 1 1 363.462 1.052 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COCCC=C)n[nH]1 ZINC001130253514 938775366 /nfs/dbraw/zinc/77/53/66/938775366.db2.gz ADVSKWVMFWSVJW-GJZGRUSLSA-N 1 1 363.462 1.052 20 30 FDEDMO C=CC[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1ccncc1 ZINC000805815178 938831898 /nfs/dbraw/zinc/83/18/98/938831898.db2.gz ZQKDXZXWXJIEMF-DOTOQJQBSA-N 1 1 374.485 1.119 20 30 FDEDMO C=CC[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)c1ccncc1 ZINC000805815178 938831902 /nfs/dbraw/zinc/83/19/02/938831902.db2.gz ZQKDXZXWXJIEMF-DOTOQJQBSA-N 1 1 374.485 1.119 20 30 FDEDMO CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cn(C)cn1 ZINC001130583831 939884327 /nfs/dbraw/zinc/88/43/27/939884327.db2.gz UCOHKHUWWUJRPZ-FUHWJXTLSA-N 1 1 368.485 1.380 20 30 FDEDMO C#CC[C@H](Cc1ccccc1)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000806391119 939911568 /nfs/dbraw/zinc/91/15/68/939911568.db2.gz RHJIDFXHAXFCGP-GOSISDBHSA-N 1 1 356.470 1.084 20 30 FDEDMO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C)C[C@H]1c1cn(C)cn1 ZINC001130614878 939912429 /nfs/dbraw/zinc/91/24/29/939912429.db2.gz GCTHKPDYQBWWMU-QXAKKESOSA-N 1 1 359.518 1.755 20 30 FDEDMO C#CC[C@@H](Cc1ccccc1)NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000806361256 939914669 /nfs/dbraw/zinc/91/46/69/939914669.db2.gz JPEYGWDLMNFTMH-IBGZPJMESA-N 1 1 356.514 1.946 20 30 FDEDMO C#C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCCO1 ZINC000806425815 939922689 /nfs/dbraw/zinc/92/26/89/939922689.db2.gz PEKVWXRBXZBCMK-CEXWTWQISA-N 1 1 369.465 1.064 20 30 FDEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001130657096 939961523 /nfs/dbraw/zinc/96/15/23/939961523.db2.gz YLZKIEXJXIRGMP-HHXXYDBFSA-N 1 1 370.501 1.840 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]nnc3c2)C[C@H]1c1cn(C)cn1 ZINC001130726385 940031375 /nfs/dbraw/zinc/03/13/75/940031375.db2.gz VNXAEBUZRVQMRR-KBXCAEBGSA-N 1 1 365.441 1.465 20 30 FDEDMO C=CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccon2)C1 ZINC001130741651 940039754 /nfs/dbraw/zinc/03/97/54/940039754.db2.gz LXEFLXWRGUZDIK-UKPHBRMFSA-N 1 1 359.430 1.083 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccnc3)n[nH]2)O1 ZINC001130744407 940048201 /nfs/dbraw/zinc/04/82/01/940048201.db2.gz FTTWBBYEVAPIID-JKSUJKDBSA-N 1 1 370.457 1.906 20 30 FDEDMO C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC3CC3)n[nH]2)O1 ZINC001130756346 940077820 /nfs/dbraw/zinc/07/78/20/940077820.db2.gz BIPRCXMXKRLPNI-LSDHHAIUSA-N 1 1 363.462 1.233 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCc3ccco3)n[nH]2)O1 ZINC001130756696 940080608 /nfs/dbraw/zinc/08/06/08/940080608.db2.gz VKUAHNMKKJWJDB-LSDHHAIUSA-N 1 1 357.414 1.090 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C=C(C)C3CC3)n[nH]2)O1 ZINC001130759598 940086384 /nfs/dbraw/zinc/08/63/84/940086384.db2.gz ALLNXMCFONFFNW-WLDSXTBVSA-N 1 1 357.458 1.610 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccc(C)n3)n[nH]2)O1 ZINC001130759644 940086553 /nfs/dbraw/zinc/08/65/53/940086553.db2.gz CPLWVWPMRKOMQA-DZGCQCFKSA-N 1 1 356.430 1.434 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)c(C)o3)n[nH]2)O1 ZINC001130775296 940092835 /nfs/dbraw/zinc/09/28/35/940092835.db2.gz 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C=CCOCC[N@@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC000815095620 941782514 /nfs/dbraw/zinc/78/25/14/941782514.db2.gz RQOOLRJMQXWLSH-INIZCTEOSA-N 1 1 367.490 1.733 20 30 FDEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC000815207789 941804356 /nfs/dbraw/zinc/80/43/56/941804356.db2.gz OSMDTPCJAIMTCO-GOSISDBHSA-N 1 1 361.873 1.571 20 30 FDEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC000815207789 941804358 /nfs/dbraw/zinc/80/43/58/941804358.db2.gz OSMDTPCJAIMTCO-GOSISDBHSA-N 1 1 361.873 1.571 20 30 FDEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000815860831 941996010 /nfs/dbraw/zinc/99/60/10/941996010.db2.gz CMQGGBPEXJREMR-UHFFFAOYSA-N 1 1 371.437 1.440 20 30 FDEDMO C[C@@H](C#N)C[N@@H+](C)C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000816492950 942223102 /nfs/dbraw/zinc/22/31/02/942223102.db2.gz KAMGDJDHAXGTTL-LSDHHAIUSA-N 1 1 352.479 1.841 20 30 FDEDMO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001195333589 970901019 /nfs/dbraw/zinc/90/10/19/970901019.db2.gz KSMPCICSQBRSOH-WOJBJXKFSA-N 1 1 369.465 1.834 20 30 FDEDMO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001195333589 970901021 /nfs/dbraw/zinc/90/10/21/970901021.db2.gz KSMPCICSQBRSOH-WOJBJXKFSA-N 1 1 369.465 1.834 20 30 FDEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COc2cccc(C)c2)C[C@H]1O ZINC001195334240 970903869 /nfs/dbraw/zinc/90/38/69/970903869.db2.gz WXJXEGRJHWZKPM-KBAYOESNSA-N 1 1 362.470 1.108 20 30 FDEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc(C)c2)C[C@H]1O ZINC001195334240 970903871 /nfs/dbraw/zinc/90/38/71/970903871.db2.gz WXJXEGRJHWZKPM-KBAYOESNSA-N 1 1 362.470 1.108 20 30 FDEDMO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000817279674 942655586 /nfs/dbraw/zinc/65/55/86/942655586.db2.gz SHJFIWXWGWNCJE-DLBZAZTESA-N 1 1 363.502 1.206 20 30 FDEDMO C#CCNC(=O)CC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]1C ZINC000817292240 942661526 /nfs/dbraw/zinc/66/15/26/942661526.db2.gz 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C=CCNS(=O)(=O)c1cc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)ccc1F ZINC000817492251 942795654 /nfs/dbraw/zinc/79/56/54/942795654.db2.gz WMVJXRLRFRXGHB-CQSZACIVSA-N 1 1 369.462 1.456 20 30 FDEDMO C#Cc1cccc(CNC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000817467294 942801376 /nfs/dbraw/zinc/80/13/76/942801376.db2.gz YLCJBICYAXSIQX-KRWDZBQOSA-N 1 1 355.482 1.912 20 30 FDEDMO C#Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000817834546 942996306 /nfs/dbraw/zinc/99/63/06/942996306.db2.gz CCNYNQOBAPPVAV-UXHICEINSA-N 1 1 361.445 1.846 20 30 FDEDMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CC[C@](C)(C#N)C2)CC1 ZINC000856197967 970976838 /nfs/dbraw/zinc/97/68/38/970976838.db2.gz ZLBDMGNSJYOZCS-GOSISDBHSA-N 1 1 350.463 1.691 20 30 FDEDMO C#CC[N@H+](C)CCCNC(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C ZINC000818584433 943293526 /nfs/dbraw/zinc/29/35/26/943293526.db2.gz MQJAEYOAAHIOCY-UHFFFAOYSA-N 1 1 371.485 1.598 20 30 FDEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC(C(=O)OCC)=NN1c1ccccc1 ZINC000818588787 943297166 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UCDSYITXTCZUFC-QZTJIDSGSA-N 1 1 354.454 1.309 20 30 FDEDMO C#C[C@H](NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccc(Cl)cc1F ZINC000820755844 944183180 /nfs/dbraw/zinc/18/31/80/944183180.db2.gz RQGSSTQMXPIIEP-ZENOOKHLSA-N 1 1 351.809 1.614 20 30 FDEDMO CN(C)c1[nH+]cc(/C=C/C(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1C ZINC000821039057 944309156 /nfs/dbraw/zinc/30/91/56/944309156.db2.gz ORBBGKAQMFLONE-MDZDMXLPSA-N 1 1 362.455 1.633 20 30 FDEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001195566733 971076948 /nfs/dbraw/zinc/07/69/48/971076948.db2.gz CFBAOKUTZGPQHE-ZTFGCOKTSA-N 1 1 350.434 1.968 20 30 FDEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001195566733 971076957 /nfs/dbraw/zinc/07/69/57/971076957.db2.gz CFBAOKUTZGPQHE-ZTFGCOKTSA-N 1 1 350.434 1.968 20 30 FDEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1C[C@@H]([NH+]2CCOCC2)C1 ZINC000821587674 944558558 /nfs/dbraw/zinc/55/85/58/944558558.db2.gz HVRFHWDLYCVOTG-GASCZTMLSA-N 1 1 359.426 1.615 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccn1C(C)C)C2 ZINC001110105056 945062792 /nfs/dbraw/zinc/06/27/92/945062792.db2.gz FTPOQUGYYYXCNH-YVSFHVDLSA-N 1 1 356.470 1.542 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccn1C(C)C)C2 ZINC001110105056 945062807 /nfs/dbraw/zinc/06/28/07/945062807.db2.gz FTPOQUGYYYXCNH-YVSFHVDLSA-N 1 1 356.470 1.542 20 30 FDEDMO N#CCCC[C@@H]([NH3+])c1nc(CC(=O)N2CCN(c3ccccc3)CC2)no1 ZINC000823047443 945407782 /nfs/dbraw/zinc/40/77/82/945407782.db2.gz DVMXSNTXXWELGY-MRXNPFEDSA-N 1 1 368.441 1.655 20 30 FDEDMO C#C[C@H](NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)C1CCOCC1 ZINC000823185617 945531191 /nfs/dbraw/zinc/53/11/91/945531191.db2.gz DTKDQUKIEDTSCC-OALUTQOASA-N 1 1 362.518 1.226 20 30 FDEDMO CN(Cc1noc([C@H]([NH3+])CCCC#N)n1)S(=O)(=O)c1ccc(F)cc1 ZINC000823171828 945551319 /nfs/dbraw/zinc/55/13/19/945551319.db2.gz BRGBPMCDEYMHGJ-CYBMUJFWSA-N 1 1 367.406 1.723 20 30 FDEDMO CC(C)[C@H](CNC(=O)NCc1cccc(OCC#N)c1)[NH+]1CCOCC1 ZINC000113373026 945994944 /nfs/dbraw/zinc/99/49/44/945994944.db2.gz NYZGUJDACMYKFD-SFHVURJKSA-N 1 1 360.458 1.745 20 30 FDEDMO C#CCCS(=O)(=O)N1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856551625 971224315 /nfs/dbraw/zinc/22/43/15/971224315.db2.gz VZCROSSKNHJPLY-SFHVURJKSA-N 1 1 365.499 1.728 20 30 FDEDMO C#CCNC(=O)[C@H](C)N1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856597174 971244657 /nfs/dbraw/zinc/24/46/57/971244657.db2.gz FMSFUJRYGVMOPE-QFBILLFUSA-N 1 1 358.486 1.513 20 30 FDEDMO C#CCCCCC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573283514 946716942 /nfs/dbraw/zinc/71/69/42/946716942.db2.gz JXRFPQCZABHBSQ-INIZCTEOSA-N 1 1 370.432 1.890 20 30 FDEDMO C#CCCCCC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573283514 946716951 /nfs/dbraw/zinc/71/69/51/946716951.db2.gz JXRFPQCZABHBSQ-INIZCTEOSA-N 1 1 370.432 1.890 20 30 FDEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1nc(Cl)nc2c1CCCN2 ZINC001171067781 946768359 /nfs/dbraw/zinc/76/83/59/946768359.db2.gz BZXYPFPEFSBALR-LBPRGKRZSA-N 1 1 353.854 1.405 20 30 FDEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1nc(Cl)nc2ncn(C)c21 ZINC001171068726 946777784 /nfs/dbraw/zinc/77/77/84/946777784.db2.gz UCSFAYXYAHWFOO-JTQLQIEISA-N 1 1 352.826 1.655 20 30 FDEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cccnc1C(=O)N(C)OC ZINC001171072649 946909487 /nfs/dbraw/zinc/90/94/87/946909487.db2.gz QGKALUNIICJBRI-ZDUSSCGKSA-N 1 1 350.419 1.354 20 30 FDEDMO C=C(C)CCC(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCCO1 ZINC001573294181 946980759 /nfs/dbraw/zinc/98/07/59/946980759.db2.gz XOFGKYIPQTXLST-CQSZACIVSA-N 1 1 371.445 1.330 20 30 FDEDMO C[C@H](C#N)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573564386 946993194 /nfs/dbraw/zinc/99/31/94/946993194.db2.gz ICGSDLIPAIKOED-HIFRSBDPSA-N 1 1 353.430 1.307 20 30 FDEDMO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1ccccc1-c1nn[nH]n1)C2 ZINC001573564803 946996557 /nfs/dbraw/zinc/99/65/57/946996557.db2.gz LDJQAOJHFSXECU-CYBMUJFWSA-N 1 1 351.414 1.061 20 30 FDEDMO 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/nfs/dbraw/zinc/11/56/84/967115684.db2.gz XGVXZDGTTFDOTC-JFOHDYCDSA-N 1 1 354.454 1.365 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]ccc1C1CC1)C2 ZINC001110644668 967115693 /nfs/dbraw/zinc/11/56/93/967115693.db2.gz XGVXZDGTTFDOTC-JFOHDYCDSA-N 1 1 354.454 1.365 20 30 FDEDMO C#CCC[NH+]1CCN([C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)CC1 ZINC000776593462 967279383 /nfs/dbraw/zinc/27/93/83/967279383.db2.gz YDCHNQRJQNOOPH-SFHVURJKSA-N 1 1 370.497 1.388 20 30 FDEDMO C#CCC[NH+]1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000776593468 967279395 /nfs/dbraw/zinc/27/93/95/967279395.db2.gz YGXDAFIOJLJPDN-IRXDYDNUSA-N 1 1 371.481 1.664 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)cc3OC)[C@@H]2C1 ZINC001189866144 967317777 /nfs/dbraw/zinc/31/77/77/967317777.db2.gz ZUNZCHQZYZRTAS-SOLBZPMBSA-N 1 1 371.481 1.841 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)cc3OC)[C@@H]2C1 ZINC001189866144 967317789 /nfs/dbraw/zinc/31/77/89/967317789.db2.gz ZUNZCHQZYZRTAS-SOLBZPMBSA-N 1 1 371.481 1.841 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N[C@@H](C)CC)C[C@H]32)nc1 ZINC001189851784 967355226 /nfs/dbraw/zinc/35/52/26/967355226.db2.gz OYUOIBNOCOKGSI-QILLFSRXSA-N 1 1 354.454 1.124 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)N[C@@H](C)CC)C[C@H]32)nc1 ZINC001189851784 967355233 /nfs/dbraw/zinc/35/52/33/967355233.db2.gz OYUOIBNOCOKGSI-QILLFSRXSA-N 1 1 354.454 1.124 20 30 FDEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852473101 967356617 /nfs/dbraw/zinc/35/66/17/967356617.db2.gz JCNHMRMTPLYSNL-ZIAGYGMSSA-N 1 1 361.408 1.944 20 30 FDEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(C)C)C[C@H]21 ZINC001189942440 967444748 /nfs/dbraw/zinc/44/47/48/967444748.db2.gz PJTRHGNLHSEIHX-RBUKOAKNSA-N 1 1 353.466 1.268 20 30 FDEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(C)C)C[C@H]21 ZINC001189942440 967444758 /nfs/dbraw/zinc/44/47/58/967444758.db2.gz PJTRHGNLHSEIHX-RBUKOAKNSA-N 1 1 353.466 1.268 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C)c3C)[C@@H]2C1 ZINC001190013475 967464820 /nfs/dbraw/zinc/46/48/20/967464820.db2.gz NIADWEFVOLZIBF-ZIFCJYIRSA-N 1 1 353.466 1.588 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(C)c3C)[C@@H]2C1 ZINC001190013475 967464822 /nfs/dbraw/zinc/46/48/22/967464822.db2.gz NIADWEFVOLZIBF-ZIFCJYIRSA-N 1 1 353.466 1.588 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3nc4nc(C)cc(C)n4n3)[C@@H]2C1 ZINC001190019635 967468550 /nfs/dbraw/zinc/46/85/50/967468550.db2.gz GFOYHZKNMWOHOT-JKSUJKDBSA-N 1 1 354.458 1.854 20 30 FDEDMO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cn4ccccc4n3)[C@@H]2C1 ZINC001190020293 967471169 /nfs/dbraw/zinc/47/11/69/967471169.db2.gz ZFTLCNHGAHWLED-YQQAZPJKSA-N 1 1 367.453 1.171 20 30 FDEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cn4ccccc4n3)[C@@H]2C1 ZINC001190020293 967471178 /nfs/dbraw/zinc/47/11/78/967471178.db2.gz ZFTLCNHGAHWLED-YQQAZPJKSA-N 1 1 367.453 1.171 20 30 FDEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(OCC)cc3)[C@@H]2C1 ZINC001190005475 967494710 /nfs/dbraw/zinc/49/47/10/967494710.db2.gz FCCCWSFZHSRBCX-FUHWJXTLSA-N 1 1 357.454 1.534 20 30 FDEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(OCC)cc3)[C@@H]2C1 ZINC001190005475 967494713 /nfs/dbraw/zinc/49/47/13/967494713.db2.gz FCCCWSFZHSRBCX-FUHWJXTLSA-N 1 1 357.454 1.534 20 30 FDEDMO COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4nccnc4c3)[C@@H]2C1 ZINC001190071941 967545597 /nfs/dbraw/zinc/54/55/97/967545597.db2.gz ASHPPEPUXGHZRY-QFBILLFUSA-N 1 1 350.422 1.426 20 30 FDEDMO COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4nccnc4c3)[C@@H]2C1 ZINC001190071941 967545598 /nfs/dbraw/zinc/54/55/98/967545598.db2.gz ASHPPEPUXGHZRY-QFBILLFUSA-N 1 1 350.422 1.426 20 30 FDEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4ccccc4[nH]3)[C@@H]2C1 ZINC001190072589 967546748 /nfs/dbraw/zinc/54/67/48/967546748.db2.gz SNWSFGVEWXSFAI-MAUKXSAKSA-N 1 1 352.438 1.616 20 30 FDEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4ccccc4[nH]3)[C@@H]2C1 ZINC001190072589 967546750 /nfs/dbraw/zinc/54/67/50/967546750.db2.gz SNWSFGVEWXSFAI-MAUKXSAKSA-N 1 1 352.438 1.616 20 30 FDEDMO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001190137165 967552231 /nfs/dbraw/zinc/55/22/31/967552231.db2.gz NFBDKHKMALYCPR-RBSFLKMASA-N 1 1 360.483 1.333 20 30 FDEDMO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001190137165 967552235 /nfs/dbraw/zinc/55/22/35/967552235.db2.gz NFBDKHKMALYCPR-RBSFLKMASA-N 1 1 360.483 1.333 20 30 FDEDMO C#CCC[N@H+](CCOC)CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000852748508 967576029 /nfs/dbraw/zinc/57/60/29/967576029.db2.gz BSAHIFZWOHEQLQ-UHFFFAOYSA-N 1 1 367.490 1.428 20 30 FDEDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2 ZINC001110422410 967577930 /nfs/dbraw/zinc/57/79/30/967577930.db2.gz AAAMXZMXAFPGQQ-MEWXFMAXSA-N 1 1 357.458 1.525 20 30 FDEDMO C[C@H](C(=O)NC(C)(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2 ZINC001110422410 967577931 /nfs/dbraw/zinc/57/79/31/967577931.db2.gz AAAMXZMXAFPGQQ-MEWXFMAXSA-N 1 1 357.458 1.525 20 30 FDEDMO C#CCC[N@@H+](CCOC)CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000852752450 967578131 /nfs/dbraw/zinc/57/81/31/967578131.db2.gz ZEFJIHSKAHFFIR-UHFFFAOYSA-N 1 1 361.486 1.753 20 30 FDEDMO C#CCC[N@H+](CCOC)CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000852752450 967578136 /nfs/dbraw/zinc/57/81/36/967578136.db2.gz ZEFJIHSKAHFFIR-UHFFFAOYSA-N 1 1 361.486 1.753 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCOc3ccccc3)[C@@H]2C1 ZINC001190157750 967611801 /nfs/dbraw/zinc/61/18/01/967611801.db2.gz QMXBRUIIRDNBPF-JENIJYKNSA-N 1 1 369.465 1.126 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCOc3ccccc3)[C@@H]2C1 ZINC001190157750 967611808 /nfs/dbraw/zinc/61/18/08/967611808.db2.gz QMXBRUIIRDNBPF-JENIJYKNSA-N 1 1 369.465 1.126 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCNC(=O)NC(C)C)C1 ZINC001190229358 967643164 /nfs/dbraw/zinc/64/31/64/967643164.db2.gz COGJQRKZFADYOU-BBWFWOEESA-N 1 1 366.506 1.208 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC2CCC2)C1 ZINC001190230354 967646105 /nfs/dbraw/zinc/64/61/05/967646105.db2.gz XPEQMUDJAYDATC-KSZLIROESA-N 1 1 363.502 1.417 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC2CCC2)C1 ZINC001190230354 967646111 /nfs/dbraw/zinc/64/61/11/967646111.db2.gz XPEQMUDJAYDATC-KSZLIROESA-N 1 1 363.502 1.417 20 30 FDEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCS(=O)(=O)N(C)C)[C@@H]2C1 ZINC001190311723 967724362 /nfs/dbraw/zinc/72/43/62/967724362.db2.gz IXCXKZFDTCSGSN-HRCADAONSA-N 1 1 357.520 1.155 20 30 FDEDMO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)CCC ZINC001110425634 967734488 /nfs/dbraw/zinc/73/44/88/967734488.db2.gz VOGRNMWNNGHQCC-TVFCKZIOSA-N 1 1 365.518 1.996 20 30 FDEDMO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)CCC ZINC001110425634 967734495 /nfs/dbraw/zinc/73/44/95/967734495.db2.gz VOGRNMWNNGHQCC-TVFCKZIOSA-N 1 1 365.518 1.996 20 30 FDEDMO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)N(C)C(C)C ZINC001110425069 967745237 /nfs/dbraw/zinc/74/52/37/967745237.db2.gz FHEFFTLUEAZPRP-TVFCKZIOSA-N 1 1 365.518 1.946 20 30 FDEDMO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)N(C)C(C)C ZINC001110425069 967745239 /nfs/dbraw/zinc/74/52/39/967745239.db2.gz FHEFFTLUEAZPRP-TVFCKZIOSA-N 1 1 365.518 1.946 20 30 FDEDMO C=CCCOCC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]21 ZINC001190430693 967841848 /nfs/dbraw/zinc/84/18/48/967841848.db2.gz KYPLVAFCQOMKLZ-MELADBBJSA-N 1 1 350.381 1.425 20 30 FDEDMO C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001190431303 967845619 /nfs/dbraw/zinc/84/56/19/967845619.db2.gz WTWAHKBCQNDNET-DZGCQCFKSA-N 1 1 368.428 1.983 20 30 FDEDMO C=CCCOCC(=O)N1CC[C@H]2C[N@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001190431303 967845636 /nfs/dbraw/zinc/84/56/36/967845636.db2.gz WTWAHKBCQNDNET-DZGCQCFKSA-N 1 1 368.428 1.983 20 30 FDEDMO C=CCCOCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NC(CC)CC)C[C@H]21 ZINC001190439842 967849901 /nfs/dbraw/zinc/84/99/01/967849901.db2.gz CNDPYOSXSDFZPJ-SOLBZPMBSA-N 1 1 365.518 1.805 20 30 FDEDMO C=CCCOCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)NC(CC)CC)C[C@H]21 ZINC001190439842 967849911 /nfs/dbraw/zinc/84/99/11/967849911.db2.gz CNDPYOSXSDFZPJ-SOLBZPMBSA-N 1 1 365.518 1.805 20 30 FDEDMO C=CCCOCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]21 ZINC001190440073 967850187 /nfs/dbraw/zinc/85/01/87/967850187.db2.gz GCQQUXHGYQJEBM-FGTMMUONSA-N 1 1 365.518 1.663 20 30 FDEDMO C=CCCOCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]21 ZINC001190440073 967850209 /nfs/dbraw/zinc/85/02/09/967850209.db2.gz GCQQUXHGYQJEBM-FGTMMUONSA-N 1 1 365.518 1.663 20 30 FDEDMO 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C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089942841 524553587 /nfs/dbraw/zinc/55/35/87/524553587.db2.gz QGBZBBWUWMGUCI-GFCCVEGCSA-N 1 1 372.498 1.763 20 30 FDEDMO Cc1oc(NC(=O)C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c(C#N)c1C ZINC000089942678 524553646 /nfs/dbraw/zinc/55/36/46/524553646.db2.gz YZBDVJKMKCVJPK-UHFFFAOYSA-N 1 1 355.402 1.448 20 30 FDEDMO CC[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@@H](C)CS(C)(=O)=O ZINC000112732113 524555554 /nfs/dbraw/zinc/55/55/54/524555554.db2.gz ATXDCQRPEOCIQG-GOEBONIOSA-N 1 1 354.472 1.247 20 30 FDEDMO CC[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@@H](C)CS(C)(=O)=O ZINC000112732113 524555565 /nfs/dbraw/zinc/55/55/65/524555565.db2.gz ATXDCQRPEOCIQG-GOEBONIOSA-N 1 1 354.472 1.247 20 30 FDEDMO CCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(C#N)c1CC ZINC000151603998 524625873 /nfs/dbraw/zinc/62/58/73/524625873.db2.gz JGRPMCKMKJLALZ-KRWDZBQOSA-N 1 1 356.474 1.216 20 30 FDEDMO CC(C)CO[C@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000091591858 524734565 /nfs/dbraw/zinc/73/45/65/524734565.db2.gz ZJDAXTKMZLDOJH-ROUUACIJSA-N 1 1 350.507 1.426 20 30 FDEDMO C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1CCCS1(=O)=O)C(C)C ZINC000159863464 524755542 /nfs/dbraw/zinc/75/55/42/524755542.db2.gz PQVCDCUIELCJLS-HOTGVXAUSA-N 1 1 357.520 1.561 20 30 FDEDMO CC(C)C[C@@H](CNC(=O)NCCOc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000174863410 524766544 /nfs/dbraw/zinc/76/65/44/524766544.db2.gz CQOCRWKDDPYANJ-SFHVURJKSA-N 1 1 374.485 1.983 20 30 FDEDMO Cc1oc(NC(=O)CN2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c(C#N)c1C ZINC000174893290 524783760 /nfs/dbraw/zinc/78/37/60/524783760.db2.gz DIRGJXBWUIXCHF-QGZVFWFLSA-N 1 1 373.501 1.809 20 30 FDEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)CCO)cc1 ZINC000123985291 524876693 /nfs/dbraw/zinc/87/66/93/524876693.db2.gz JGGRQXGSASXNRB-UHFFFAOYSA-N 1 1 356.426 1.837 20 30 FDEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+](C)CCO)cc1 ZINC000123985291 524876704 /nfs/dbraw/zinc/87/67/04/524876704.db2.gz JGGRQXGSASXNRB-UHFFFAOYSA-N 1 1 356.426 1.837 20 30 FDEDMO C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1)[C@@H]1CCSC1 ZINC000160605253 524927316 /nfs/dbraw/zinc/92/73/16/524927316.db2.gz LJMLRCGYNDPQEI-MSOLQXFVSA-N 1 1 358.511 1.833 20 30 FDEDMO Cn1c(NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)c(C#N)c(=O)n(C)c1=O ZINC000160802122 524973585 /nfs/dbraw/zinc/97/35/85/524973585.db2.gz NWFMNTNQQDTUJY-FQEVSTJZSA-N 1 1 367.453 1.422 20 30 FDEDMO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000093530829 524990839 /nfs/dbraw/zinc/99/08/39/524990839.db2.gz DQASDYVIXZDGGT-KRWDZBQOSA-N 1 1 373.482 1.587 20 30 FDEDMO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000093530829 524990853 /nfs/dbraw/zinc/99/08/53/524990853.db2.gz DQASDYVIXZDGGT-KRWDZBQOSA-N 1 1 373.482 1.587 20 30 FDEDMO C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)CC2)CCO1 ZINC000124459096 524993657 /nfs/dbraw/zinc/99/36/57/524993657.db2.gz ANAJJTJOXDTGBH-AWEZNQCLSA-N 1 1 356.426 1.208 20 30 FDEDMO C[C@H](C#N)Oc1ccc(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000093821065 525001205 /nfs/dbraw/zinc/00/12/05/525001205.db2.gz YQNUGGKVYPOMTO-VQIMIIECSA-N 1 1 356.470 1.716 20 30 FDEDMO C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000152802349 525011254 /nfs/dbraw/zinc/01/12/54/525011254.db2.gz ARXOBVVLMIFHMQ-RDJZCZTQSA-N 1 1 370.453 1.091 20 30 FDEDMO C[N@H+]1CCCC[C@H]1CN1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115543458 525014490 /nfs/dbraw/zinc/01/44/90/525014490.db2.gz BVIUEDFVMIPTEH-OALUTQOASA-N 1 1 355.486 1.187 20 30 FDEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000115549759 525016734 /nfs/dbraw/zinc/01/67/34/525016734.db2.gz JMFPBAFWYDGQFF-MRXNPFEDSA-N 1 1 350.507 1.496 20 30 FDEDMO C[NH+](C)CCN(C(=O)CCc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000124594582 525030234 /nfs/dbraw/zinc/03/02/34/525030234.db2.gz CQVRRAAGHUYXMJ-KRWDZBQOSA-N 1 1 363.483 1.068 20 30 FDEDMO C[N@@H+](CCCO)C1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000115739236 525055764 /nfs/dbraw/zinc/05/57/64/525055764.db2.gz DOEJSPGWKOZOPD-LJQANCHMSA-N 1 1 361.486 1.271 20 30 FDEDMO C#Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCCOCC)C[C@H]2C)c1 ZINC000115890839 525084478 /nfs/dbraw/zinc/08/44/78/525084478.db2.gz AHCXJDVKIWQCJL-APWZRJJASA-N 1 1 371.481 1.860 20 30 FDEDMO N#Cc1ccc(N2CC[NH+](C[C@H](O)COC[C@H]3CCCO3)CC2)c(F)c1 ZINC000101587390 525238076 /nfs/dbraw/zinc/23/80/76/525238076.db2.gz RIZROMQGALHBFD-DLBZAZTESA-N 1 1 363.433 1.376 20 30 FDEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000177184414 525252957 /nfs/dbraw/zinc/25/29/57/525252957.db2.gz DMBVXACXRNJDNY-DZGCQCFKSA-N 1 1 363.483 1.506 20 30 FDEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000126165831 525279955 /nfs/dbraw/zinc/27/99/55/525279955.db2.gz WJPZYEXZZXOIJT-YOEHRIQHSA-N 1 1 365.499 1.563 20 30 FDEDMO C#CCSCCNC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000153771713 525317295 /nfs/dbraw/zinc/31/72/95/525317295.db2.gz SFKDIPNMKMSEFS-UHFFFAOYSA-N 1 1 360.527 1.600 20 30 FDEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)CC1 ZINC000104354393 525407520 /nfs/dbraw/zinc/40/75/20/525407520.db2.gz PTWCBEWZOZVQHW-GOSISDBHSA-N 1 1 354.454 1.850 20 30 FDEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2cccc(C#N)c2)CC1=O ZINC000105316743 525495958 /nfs/dbraw/zinc/49/59/58/525495958.db2.gz CMHKQSYBECWTTG-QZTJIDSGSA-N 1 1 354.454 1.507 20 30 FDEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 ZINC000165032227 525541184 /nfs/dbraw/zinc/54/11/84/525541184.db2.gz UYXWKYNEIBUIQJ-IYBDPMFKSA-N 1 1 354.520 1.110 20 30 FDEDMO C=CCNc1ncc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)s1 ZINC000128513085 525551039 /nfs/dbraw/zinc/55/10/39/525551039.db2.gz KDEGQYVJIGPACP-GFCCVEGCSA-N 1 1 351.476 1.058 20 30 FDEDMO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C[C@H]1CCCN1c1cccnn1 ZINC000106088827 525569678 /nfs/dbraw/zinc/56/96/78/525569678.db2.gz ZSSOOTPGBHMAMQ-QGZVFWFLSA-N 1 1 350.426 1.888 20 30 FDEDMO C[N@H+](CC(=O)Nc1cccc(C#N)c1)C[C@H]1CCCN1c1cccnn1 ZINC000106088827 525569682 /nfs/dbraw/zinc/56/96/82/525569682.db2.gz ZSSOOTPGBHMAMQ-QGZVFWFLSA-N 1 1 350.426 1.888 20 30 FDEDMO C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C[C@@H]1CCCN1c1cccnn1 ZINC000106087350 525569808 /nfs/dbraw/zinc/56/98/08/525569808.db2.gz STKHLLPCYNFKBH-ROUUACIJSA-N 1 1 367.453 1.689 20 30 FDEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000179553017 525598868 /nfs/dbraw/zinc/59/88/68/525598868.db2.gz GWHPIECPTYTCCA-FXAWDEMLSA-N 1 1 356.470 1.994 20 30 FDEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000179553029 525599169 /nfs/dbraw/zinc/59/91/69/525599169.db2.gz GWHPIECPTYTCCA-PXNSSMCTSA-N 1 1 356.470 1.994 20 30 FDEDMO C=C(C)C[NH+]1CCC(NC(=O)N(CCC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000180544902 525720422 /nfs/dbraw/zinc/72/04/22/525720422.db2.gz ZGAXLHODLNYUMB-INIZCTEOSA-N 1 1 357.520 1.636 20 30 FDEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000119402654 525734473 /nfs/dbraw/zinc/73/44/73/525734473.db2.gz SSSIPBADZKNQDT-CQSZACIVSA-N 1 1 354.414 1.040 20 30 FDEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000155137546 525757531 /nfs/dbraw/zinc/75/75/31/525757531.db2.gz BKYRPYZVUCASKR-CQSZACIVSA-N 1 1 353.488 1.279 20 30 FDEDMO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](Cn3ccnn3)C2)C1=O ZINC000119484096 525762490 /nfs/dbraw/zinc/76/24/90/525762490.db2.gz FDFSFJGFBYJAIW-ZFWWWQNUSA-N 1 1 356.455 1.729 20 30 FDEDMO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](Cn3ccnn3)C2)C1=O ZINC000119484096 525762500 /nfs/dbraw/zinc/76/25/00/525762500.db2.gz FDFSFJGFBYJAIW-ZFWWWQNUSA-N 1 1 356.455 1.729 20 30 FDEDMO CC(C)[C@H](CNC(=O)NCc1ccc(C#N)cc1F)N1CC[NH+](C)CC1 ZINC000170935040 525779786 /nfs/dbraw/zinc/77/97/86/525779786.db2.gz QXXJFSDMKVMRMA-SFHVURJKSA-N 1 1 361.465 1.769 20 30 FDEDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000155204941 525781188 /nfs/dbraw/zinc/78/11/88/525781188.db2.gz UTBZBNCYQUEVPG-NSHDSACASA-N 1 1 372.288 1.941 20 30 FDEDMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1(C#N)CCOCC1 ZINC000119603828 525801129 /nfs/dbraw/zinc/80/11/29/525801129.db2.gz WFGDDEDBPDIAQO-KRWDZBQOSA-N 1 1 356.470 1.634 20 30 FDEDMO C[N@@H+](CCCNC(=O)CNC(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000171107322 525849314 /nfs/dbraw/zinc/84/93/14/525849314.db2.gz SZXCKHWFFIJDOV-UHFFFAOYSA-N 1 1 364.449 1.926 20 30 FDEDMO CN(CCC#N)C(=O)CC[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000131517604 525868801 /nfs/dbraw/zinc/86/88/01/525868801.db2.gz OSRRIBZOOBONLC-UHFFFAOYSA-N 1 1 360.462 1.217 20 30 FDEDMO C[NH+]1CCN(C(=O)CCNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000171148575 525869951 /nfs/dbraw/zinc/86/99/51/525869951.db2.gz JDFURZLLVLEXFZ-UHFFFAOYSA-N 1 1 360.462 1.400 20 30 FDEDMO C#Cc1cccc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000107407195 525887889 /nfs/dbraw/zinc/88/78/89/525887889.db2.gz AQLJCMWFRZYLAK-IBGZPJMESA-N 1 1 368.481 1.235 20 30 FDEDMO C[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)CN1CCN(C)CC1 ZINC000181689376 525891524 /nfs/dbraw/zinc/89/15/24/525891524.db2.gz OBAMGOSQJSJYRW-IBGZPJMESA-N 1 1 369.557 1.996 20 30 FDEDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000155620441 525924673 /nfs/dbraw/zinc/92/46/73/525924673.db2.gz SFONOWCTEIFSOQ-IRXDYDNUSA-N 1 1 351.472 1.385 20 30 FDEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000132248911 525949250 /nfs/dbraw/zinc/94/92/50/525949250.db2.gz CDXYTLRDVZISNC-MRXNPFEDSA-N 1 1 360.845 1.590 20 30 FDEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[NH+](CCO)CC1 ZINC000108355947 525957980 /nfs/dbraw/zinc/95/79/80/525957980.db2.gz CEWXGOHMQLFAFJ-OAHLLOKOSA-N 1 1 362.499 1.629 20 30 FDEDMO C#CCOc1ccc(C[N@@H+](CCCOC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000120162676 525980476 /nfs/dbraw/zinc/98/04/76/525980476.db2.gz PVQVOJQQVYWFTF-KRWDZBQOSA-N 1 1 351.468 1.724 20 30 FDEDMO C#CCOc1ccc(C[N@H+](CCCOC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000120162676 525980481 /nfs/dbraw/zinc/98/04/81/525980481.db2.gz PVQVOJQQVYWFTF-KRWDZBQOSA-N 1 1 351.468 1.724 20 30 FDEDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000155845140 525988722 /nfs/dbraw/zinc/98/87/22/525988722.db2.gz FTVKERLULPRULX-CYBMUJFWSA-N 1 1 370.862 1.164 20 30 FDEDMO COC(=O)CC[N@H+]1CCN(CCC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000182097029 526053648 /nfs/dbraw/zinc/05/36/48/526053648.db2.gz MWDYLSDBMKXQNG-ZDUSSCGKSA-N 1 1 364.471 1.518 20 30 FDEDMO COC(=O)CCN1CC[N@H+](CCC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000182097029 526053657 /nfs/dbraw/zinc/05/36/57/526053657.db2.gz MWDYLSDBMKXQNG-ZDUSSCGKSA-N 1 1 364.471 1.518 20 30 FDEDMO COC(=O)CCN1CC[N@@H+](CCC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000182097029 526053666 /nfs/dbraw/zinc/05/36/66/526053666.db2.gz MWDYLSDBMKXQNG-ZDUSSCGKSA-N 1 1 364.471 1.518 20 30 FDEDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C3(C#N)CCOCC3)c2)CCO1 ZINC000109141556 526081472 /nfs/dbraw/zinc/08/14/72/526081472.db2.gz FDXGOROZGWNKKL-MRXNPFEDSA-N 1 1 357.454 1.844 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C3(C#N)CCOCC3)c2)CCO1 ZINC000109141556 526081480 /nfs/dbraw/zinc/08/14/80/526081480.db2.gz FDXGOROZGWNKKL-MRXNPFEDSA-N 1 1 357.454 1.844 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000171705139 526086261 /nfs/dbraw/zinc/08/62/61/526086261.db2.gz YWJPBPZLWXNJDE-HZPDHXFCSA-N 1 1 374.485 1.774 20 30 FDEDMO C[C@](O)(CNC(=O)Nc1ccc(C#N)c(Cl)c1)C[NH+]1CCOCC1 ZINC000156408757 526129481 /nfs/dbraw/zinc/12/94/81/526129481.db2.gz KBTJZUDHFSXFGZ-INIZCTEOSA-N 1 1 352.822 1.416 20 30 FDEDMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000120881548 526208770 /nfs/dbraw/zinc/20/87/70/526208770.db2.gz SAHDXFGEMYDPBK-HNNXBMFYSA-N 1 1 355.435 1.228 20 30 FDEDMO C[C@@H](C#N)CNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000182651226 535839540 /nfs/dbraw/zinc/83/95/40/535839540.db2.gz PQZIIDIQZOGQLZ-YOEHRIQHSA-N 1 1 357.458 1.343 20 30 FDEDMO C#CCSCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182678958 535844929 /nfs/dbraw/zinc/84/49/29/535844929.db2.gz FWJSNUCBNJZVRQ-GOSISDBHSA-N 1 1 361.511 1.809 20 30 FDEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183166674 535932711 /nfs/dbraw/zinc/93/27/11/535932711.db2.gz KVJJJFRENXLDBO-UHFFFAOYSA-N 1 1 359.352 1.551 20 30 FDEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC000183186349 535938837 /nfs/dbraw/zinc/93/88/37/535938837.db2.gz IZXQNGZPBLNDTO-LPHOPBHVSA-N 1 1 374.510 1.569 20 30 FDEDMO C[C@@H]1CCCN1S(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000184871345 536189032 /nfs/dbraw/zinc/18/90/32/536189032.db2.gz JHALJKQTVCZQKZ-MRXNPFEDSA-N 1 1 362.499 1.795 20 30 FDEDMO C[C@@H]1CCCN1S(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000184871345 536189033 /nfs/dbraw/zinc/18/90/33/536189033.db2.gz JHALJKQTVCZQKZ-MRXNPFEDSA-N 1 1 362.499 1.795 20 30 FDEDMO N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000185077096 536197646 /nfs/dbraw/zinc/19/76/46/536197646.db2.gz CVXVZYNRDWDAAU-CQSZACIVSA-N 1 1 369.874 1.554 20 30 FDEDMO C#C[C@@H](C)NC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000186066670 536224603 /nfs/dbraw/zinc/22/46/03/536224603.db2.gz PICDAJXIYHJLLF-OAHLLOKOSA-N 1 1 358.442 1.168 20 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C[C@@H]1C[N@H+](CCO)CCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593738076 552187600 /nfs/dbraw/zinc/18/76/00/552187600.db2.gz MBKJUXZOJUGPJX-GFCCVEGCSA-N 1 1 366.259 1.388 20 30 FDEDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593738076 552187603 /nfs/dbraw/zinc/18/76/03/552187603.db2.gz MBKJUXZOJUGPJX-GFCCVEGCSA-N 1 1 366.259 1.388 20 30 FDEDMO N#Cc1cccc(CN2CCC(NC(=O)C[NH2+]C[C@@H]3CCCO3)CC2)c1 ZINC000593918714 552225417 /nfs/dbraw/zinc/22/54/17/552225417.db2.gz GJLKZSLISLXWIC-IBGZPJMESA-N 1 1 356.470 1.407 20 30 FDEDMO COCC[N@@H+](C)C[C@H](O)CN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000593986836 552234896 /nfs/dbraw/zinc/23/48/96/552234896.db2.gz IGMMUGHNDUXOMZ-INIZCTEOSA-N 1 1 365.449 1.480 20 30 FDEDMO COCCN(C)C[C@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000593986836 552234899 /nfs/dbraw/zinc/23/48/99/552234899.db2.gz IGMMUGHNDUXOMZ-INIZCTEOSA-N 1 1 365.449 1.480 20 30 FDEDMO N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC000594284227 552277949 /nfs/dbraw/zinc/27/79/49/552277949.db2.gz WYXANBGRTTZEED-QZTJIDSGSA-N 1 1 368.485 1.802 20 30 FDEDMO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000594299706 552281625 /nfs/dbraw/zinc/28/16/25/552281625.db2.gz NSJUEXLMMNJUII-YLJYHZDGSA-N 1 1 370.497 1.260 20 30 FDEDMO CCN1CCN(c2ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cn2)CC1 ZINC000594437495 552310042 /nfs/dbraw/zinc/31/00/42/552310042.db2.gz CLJUFLJHFXPLCJ-QGZVFWFLSA-N 1 1 358.490 1.251 20 30 FDEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2cnc(C(F)(F)F)nc2)cc1 ZINC000594718224 552362871 /nfs/dbraw/zinc/36/28/71/552362871.db2.gz KYIYIFQTCIBHSE-UHFFFAOYSA-N 1 1 370.356 1.931 20 30 FDEDMO COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595075803 552445215 /nfs/dbraw/zinc/44/52/15/552445215.db2.gz YYCKOJDQOIDLEH-AWEZNQCLSA-N 1 1 358.442 1.742 20 30 FDEDMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1 ZINC000595194050 552485496 /nfs/dbraw/zinc/48/54/96/552485496.db2.gz HHLYLXINBJVJOR-INIZCTEOSA-N 1 1 358.442 1.884 20 30 FDEDMO C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)[C@H](Cc2ccccc2)C1 ZINC000595194033 552485846 /nfs/dbraw/zinc/48/58/46/552485846.db2.gz GXCZYLXUCQVQEW-XLIONFOSSA-N 1 1 354.454 1.134 20 30 FDEDMO C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)[C@H](Cc2ccccc2)C1 ZINC000595194033 552485847 /nfs/dbraw/zinc/48/58/47/552485847.db2.gz GXCZYLXUCQVQEW-XLIONFOSSA-N 1 1 354.454 1.134 20 30 FDEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C1 ZINC000595202003 552488876 /nfs/dbraw/zinc/48/88/76/552488876.db2.gz VTTXDFLFLNZYBR-RXVVDRJESA-N 1 1 368.481 1.524 20 30 FDEDMO Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)ncc1C#N ZINC000595219938 552495840 /nfs/dbraw/zinc/49/58/40/552495840.db2.gz CNCLEPVVVFHKND-KRWDZBQOSA-N 1 1 363.421 1.591 20 30 FDEDMO Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)ncc1C#N ZINC000595219938 552495844 /nfs/dbraw/zinc/49/58/44/552495844.db2.gz CNCLEPVVVFHKND-KRWDZBQOSA-N 1 1 363.421 1.591 20 30 FDEDMO N#CCCN(C(=O)C[NH+]1CCC(c2nc(N)n[nH]2)CC1)c1ccccc1 ZINC000595488765 552571400 /nfs/dbraw/zinc/57/14/00/552571400.db2.gz MJJMGFGNIPGOIP-UHFFFAOYSA-N 1 1 353.430 1.513 20 30 FDEDMO Cc1oc(NC(=O)C[NH2+][C@H](c2cnn(C)c2)C2(CO)CCC2)c(C#N)c1C ZINC000595501643 552573458 /nfs/dbraw/zinc/57/34/58/552573458.db2.gz XICCWHZZYFOUGU-QGZVFWFLSA-N 1 1 371.441 1.934 20 30 FDEDMO C=CCCSCCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000595549723 552582660 /nfs/dbraw/zinc/58/26/60/552582660.db2.gz LQNFIRZJAXCHFE-MRXNPFEDSA-N 1 1 356.536 1.001 20 30 FDEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000595555791 552584027 /nfs/dbraw/zinc/58/40/27/552584027.db2.gz UPHIGEZSNWTRDG-UKRRQHHQSA-N 1 1 359.499 1.934 20 30 FDEDMO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](CC#N)C2)c(OC)c1 ZINC000595609930 552592031 /nfs/dbraw/zinc/59/20/31/552592031.db2.gz QJYVLSKCYZEXRC-GDBMZVCRSA-N 1 1 362.426 1.847 20 30 FDEDMO C=CC[N@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC)[C@H](C)COC ZINC000595648329 552596979 /nfs/dbraw/zinc/59/69/79/552596979.db2.gz TUTBFOSHRNLUSX-QAPCUYQASA-N 1 1 360.454 1.636 20 30 FDEDMO C=CC[N@@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC)[C@H](C)COC ZINC000595648329 552596980 /nfs/dbraw/zinc/59/69/80/552596980.db2.gz TUTBFOSHRNLUSX-QAPCUYQASA-N 1 1 360.454 1.636 20 30 FDEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@H](CCF)C3)CC2)o1 ZINC000595754410 552611626 /nfs/dbraw/zinc/61/16/26/552611626.db2.gz BBCFITRMRGPCJW-OAHLLOKOSA-N 1 1 363.437 1.575 20 30 FDEDMO CCC[N@H+]1CC[C@H](NC(=O)N2CCN(c3snc(C)c3C#N)CC2)C1 ZINC000595808074 552618499 /nfs/dbraw/zinc/61/84/99/552618499.db2.gz SFWYZAVASMTMEG-AWEZNQCLSA-N 1 1 362.503 1.639 20 30 FDEDMO CC(C)NC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000595851884 552623721 /nfs/dbraw/zinc/62/37/21/552623721.db2.gz WHOIZTQEISDDJA-CABCVRRESA-N 1 1 360.483 1.962 20 30 FDEDMO CC(C)NC(=O)[C@@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000595851884 552623722 /nfs/dbraw/zinc/62/37/22/552623722.db2.gz WHOIZTQEISDDJA-CABCVRRESA-N 1 1 360.483 1.962 20 30 FDEDMO N#Cc1ccsc1N1CC[C@@H](N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000595862683 552625164 /nfs/dbraw/zinc/62/51/64/552625164.db2.gz FVVLUDQRUFJZFA-JKSUJKDBSA-N 1 1 360.483 1.256 20 30 FDEDMO C=C[C@H](CO)[NH2+]CC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C)C2 ZINC000595864269 552625436 /nfs/dbraw/zinc/62/54/36/552625436.db2.gz XAYQKBOXXGWHDY-WDEREUQCSA-N 1 1 352.456 1.735 20 30 FDEDMO N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596569924 552690009 /nfs/dbraw/zinc/69/00/09/552690009.db2.gz NVRJSTLQPDXRLG-AWEZNQCLSA-N 1 1 358.417 1.874 20 30 FDEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000596569915 552690036 /nfs/dbraw/zinc/69/00/36/552690036.db2.gz NJAYRAKJGJMCGN-OAHLLOKOSA-N 1 1 358.417 1.874 20 30 FDEDMO CO[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCOC1 ZINC000596695977 552702705 /nfs/dbraw/zinc/70/27/05/552702705.db2.gz ZGROFYLSNWXDBN-OALUTQOASA-N 1 1 357.454 1.644 20 30 FDEDMO CO[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCOC1 ZINC000596695977 552702706 /nfs/dbraw/zinc/70/27/06/552702706.db2.gz ZGROFYLSNWXDBN-OALUTQOASA-N 1 1 357.454 1.644 20 30 FDEDMO N#Cc1c(F)cc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1F ZINC000597063099 552741233 /nfs/dbraw/zinc/74/12/33/552741233.db2.gz FNBXDMDTYKCLNE-MRXNPFEDSA-N 1 1 362.380 1.391 20 30 FDEDMO Cn1c(-c2cc[nH]n2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000597271976 552768053 /nfs/dbraw/zinc/76/80/53/552768053.db2.gz XSXKYRBVPDNJKR-UHFFFAOYSA-N 1 1 362.441 1.789 20 30 FDEDMO CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1C ZINC000597274229 552768386 /nfs/dbraw/zinc/76/83/86/552768386.db2.gz VZILDJDSPDFNDN-SJORKVTESA-N 1 1 352.442 1.859 20 30 FDEDMO C=C(C)Cn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCO[C@@H](C#N)C1 ZINC000597310374 552773156 /nfs/dbraw/zinc/77/31/56/552773156.db2.gz OAKQVIZTBVREOZ-PMPSAXMXSA-N 1 1 358.446 1.119 20 30 FDEDMO C[C@H](CC#N)N(C)c1nnc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1C[C@H]1CCOC1 ZINC000597365077 552779918 /nfs/dbraw/zinc/77/99/18/552779918.db2.gz FKRZAXLSXQPHAY-VQHPVUNQSA-N 1 1 374.489 1.589 20 30 FDEDMO N#CC1(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CCCCC1 ZINC000597397847 552784162 /nfs/dbraw/zinc/78/41/62/552784162.db2.gz GAVCPYVXKHITOI-GOSISDBHSA-N 1 1 368.481 1.967 20 30 FDEDMO N#CC1(CNC(=O)C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CCCCC1 ZINC000597397847 552784163 /nfs/dbraw/zinc/78/41/63/552784163.db2.gz GAVCPYVXKHITOI-GOSISDBHSA-N 1 1 368.481 1.967 20 30 FDEDMO N#CC1(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CCOCC1 ZINC000597410264 552785519 /nfs/dbraw/zinc/78/55/19/552785519.db2.gz QREQNDWSQKLLGQ-MOPGFXCFSA-N 1 1 371.481 1.696 20 30 FDEDMO COCC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)CC1 ZINC000597428898 552787940 /nfs/dbraw/zinc/78/79/40/552787940.db2.gz UUNKHVBYEGGTJS-UHFFFAOYSA-N 1 1 366.469 1.995 20 30 FDEDMO CSc1[n-]c(=O)c(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)cc1C#N ZINC000597697677 552823645 /nfs/dbraw/zinc/82/36/45/552823645.db2.gz YWYROFZZTNQUKK-ZIAGYGMSSA-N 1 1 362.455 1.316 20 30 FDEDMO C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000597943059 552848689 /nfs/dbraw/zinc/84/86/89/552848689.db2.gz TUUWMUKMSYHVOX-INIZCTEOSA-N 1 1 368.485 1.746 20 30 FDEDMO C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000597943059 552848691 /nfs/dbraw/zinc/84/86/91/552848691.db2.gz TUUWMUKMSYHVOX-INIZCTEOSA-N 1 1 368.485 1.746 20 30 FDEDMO Cc1cc(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ncc1C#N ZINC000597993152 552854009 /nfs/dbraw/zinc/85/40/09/552854009.db2.gz ZSKRKWLTGHUGQU-GOSISDBHSA-N 1 1 350.422 1.758 20 30 FDEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2(C#N)CCCCC2)CC1=O ZINC000598304332 552884515 /nfs/dbraw/zinc/88/45/15/552884515.db2.gz KGYXBSCZZAQKNK-IAGOWNOFSA-N 1 1 360.502 1.909 20 30 FDEDMO C[N@H+]1CCCC[C@@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000599160853 552977038 /nfs/dbraw/zinc/97/70/38/552977038.db2.gz QQVCADCQXVZJOA-KRWDZBQOSA-N 1 1 356.474 1.517 20 30 FDEDMO N#CC1(C[C@@H](O)C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)CCOCC1 ZINC000599281743 553014331 /nfs/dbraw/zinc/01/43/31/553014331.db2.gz KHTBFPPLXDZWCP-MSOLQXFVSA-N 1 1 357.454 1.621 20 30 FDEDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599397519 553045193 /nfs/dbraw/zinc/04/51/93/553045193.db2.gz PXJKZXPYNYLECE-LPHOPBHVSA-N 1 1 368.474 1.349 20 30 FDEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)CCOCC1 ZINC000599401209 553046806 /nfs/dbraw/zinc/04/68/06/553046806.db2.gz OFJOFDPEDSMSNI-ZWKOTPCHSA-N 1 1 351.491 1.102 20 30 FDEDMO C[C@@H]1C[C@]2(CCO1)C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)C[C@@H](C)O2 ZINC000599400810 553046909 /nfs/dbraw/zinc/04/69/09/553046909.db2.gz YJRGMQUAGYZRBO-VXIBKDFQSA-N 1 1 352.475 1.716 20 30 FDEDMO COC(=O)c1cnc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2C#N)s1 ZINC000599440614 553057644 /nfs/dbraw/zinc/05/76/44/553057644.db2.gz XRRDOQJJUYHTCQ-AAEUAGOBSA-N 1 1 361.423 1.892 20 30 FDEDMO C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000599441612 553057739 /nfs/dbraw/zinc/05/77/39/553057739.db2.gz 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C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccnc(C)c2)C[C@H]1C(F)(F)F ZINC001112180879 827475727 /nfs/dbraw/zinc/47/57/27/827475727.db2.gz UBJZGXKTVJGCBB-ZIAGYGMSSA-N 1 1 370.375 1.285 20 30 FDEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN(C(=O)CCC)C3)C[C@@H]2C1 ZINC001088210484 827485686 /nfs/dbraw/zinc/48/56/86/827485686.db2.gz MXQMMVJPKXENOC-QYZOEREBSA-N 1 1 359.514 1.829 20 30 FDEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3c(OC)ncnc3OC)C[C@@H]2C1 ZINC001088221091 827549958 /nfs/dbraw/zinc/54/99/58/827549958.db2.gz LUVVRUSEYYSQJE-OLZOCXBDSA-N 1 1 366.849 1.640 20 30 FDEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(OC)ncnc3OC)C[C@@H]2C1 ZINC001088221091 827549968 /nfs/dbraw/zinc/54/99/68/827549968.db2.gz LUVVRUSEYYSQJE-OLZOCXBDSA-N 1 1 366.849 1.640 20 30 FDEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CCN1C(=O)C#CC1CC1 ZINC000985362849 827593884 /nfs/dbraw/zinc/59/38/84/827593884.db2.gz LSWBCELRJJMPRD-NZSAHSFTSA-N 1 1 368.481 1.663 20 30 FDEDMO 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ZINC000527076986 828951122 /nfs/dbraw/zinc/95/11/22/828951122.db2.gz HHASLHXHRSQPCE-UHFFFAOYSA-N 1 1 374.489 1.623 20 30 FDEDMO N#Cc1ccc(CN2CCN(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000079460301 828955004 /nfs/dbraw/zinc/95/50/04/828955004.db2.gz FPRRJAZZIRCLQE-LJQANCHMSA-N 1 1 367.497 1.870 20 30 FDEDMO O=C(C[C@@H]1CCNC1=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001075873633 828985835 /nfs/dbraw/zinc/98/58/35/828985835.db2.gz APHHTEASGKAZDD-JENIJYKNSA-N 1 1 369.440 1.236 20 30 FDEDMO O=C(C[C@@H]1CCNC1=O)N1CC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001075873633 828985844 /nfs/dbraw/zinc/98/58/44/828985844.db2.gz APHHTEASGKAZDD-JENIJYKNSA-N 1 1 369.440 1.236 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@H+](C)CCc2cnn(C)c2)CC1 ZINC000985693710 829013408 /nfs/dbraw/zinc/01/34/08/829013408.db2.gz BAIJHQZDPLBJNT-OALUTQOASA-N 1 1 360.502 1.867 20 30 FDEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000527297223 829021752 /nfs/dbraw/zinc/02/17/52/829021752.db2.gz JGTTZEJUQCHWGE-INIZCTEOSA-N 1 1 356.470 1.906 20 30 FDEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000527297223 829021760 /nfs/dbraw/zinc/02/17/60/829021760.db2.gz JGTTZEJUQCHWGE-INIZCTEOSA-N 1 1 356.470 1.906 20 30 FDEDMO N#CC1(NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)CCC1 ZINC000527385139 829049993 /nfs/dbraw/zinc/04/99/93/829049993.db2.gz WRIFZSLLTNUBRX-UHFFFAOYSA-N 1 1 356.426 1.605 20 30 FDEDMO C=CCCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000448318828 829088225 /nfs/dbraw/zinc/08/82/25/829088225.db2.gz CONCQLOMFBOMNL-UHFFFAOYSA-N 1 1 372.469 1.485 20 30 FDEDMO CCn1nncc1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000528064539 829240746 /nfs/dbraw/zinc/24/07/46/829240746.db2.gz LALGKFPIZZRNFZ-UHFFFAOYSA-N 1 1 367.457 1.587 20 30 FDEDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528369167 829374326 /nfs/dbraw/zinc/37/43/26/829374326.db2.gz SFUGZMRKNMDVKC-FUHWJXTLSA-N 1 1 359.470 1.782 20 30 FDEDMO CCC[N@@H+](C)C[C@@H]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528399087 829382585 /nfs/dbraw/zinc/38/25/85/829382585.db2.gz JGAPCXABTLIIAT-KRWDZBQOSA-N 1 1 353.466 1.950 20 30 FDEDMO C[C@@H]1OCC[C@]12C[N@H+](CC#CCN1C(=O)c3ccccc3C1=O)C[C@@H](C)O2 ZINC000528484593 829430435 /nfs/dbraw/zinc/43/04/35/829430435.db2.gz JZGUOTAAMVWRQZ-XFQAVAEZSA-N 1 1 368.433 1.554 20 30 FDEDMO C[C@@H]1OCC[C@]12C[N@@H+](CC#CCN1C(=O)c3ccccc3C1=O)C[C@@H](C)O2 ZINC000528484593 829430440 /nfs/dbraw/zinc/43/04/40/829430440.db2.gz JZGUOTAAMVWRQZ-XFQAVAEZSA-N 1 1 368.433 1.554 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001168109559 829529282 /nfs/dbraw/zinc/52/92/82/829529282.db2.gz BQPWGRDBLZNHMH-ZFWWWQNUSA-N 1 1 350.463 1.944 20 30 FDEDMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ccc(C#N)n1C ZINC000449929773 829729546 /nfs/dbraw/zinc/72/95/46/829729546.db2.gz SWBMUZFCFKOQNJ-INIZCTEOSA-N 1 1 351.454 1.837 20 30 FDEDMO C=C(C)C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3CCC)CC2)CC1 ZINC000985826850 829782367 /nfs/dbraw/zinc/78/23/67/829782367.db2.gz GRXSCOPONZWEJF-QZTJIDSGSA-N 1 1 362.518 1.881 20 30 FDEDMO C=CCn1cccc1C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC000985831146 829819453 /nfs/dbraw/zinc/81/94/53/829819453.db2.gz OULBYSBIDMALNK-FGTMMUONSA-N 1 1 370.497 1.689 20 30 FDEDMO Cn1c(C#N)ccc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000450180740 829846178 /nfs/dbraw/zinc/84/61/78/829846178.db2.gz LMWQYCLNBXSSSF-WMZOPIPTSA-N 1 1 352.438 1.510 20 30 FDEDMO Cn1c(C#N)ccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000450447750 829967152 /nfs/dbraw/zinc/96/71/52/829967152.db2.gz XQOBFXHTYNZGKI-AEFFLSMTSA-N 1 1 352.438 1.510 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(OCC(=O)NC)c(OC)c1 ZINC000729812675 837407272 /nfs/dbraw/zinc/40/72/72/837407272.db2.gz ZUWYETBJAJWWPH-HNNXBMFYSA-N 1 1 360.410 1.074 20 30 FDEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)C1 ZINC000985974106 830224856 /nfs/dbraw/zinc/22/48/56/830224856.db2.gz BUGCBYPZOVLTML-OAGGEKHMSA-N 1 1 369.469 1.149 20 30 FDEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)C1 ZINC000985985059 830244145 /nfs/dbraw/zinc/24/41/45/830244145.db2.gz ZNGAJXRRUWYNIX-UXLLHSPISA-N 1 1 369.469 1.149 20 30 FDEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000729812606 837436786 /nfs/dbraw/zinc/43/67/86/837436786.db2.gz YFVFBJUBMCMQOL-WBVHZDCISA-N 1 1 360.479 1.922 20 30 FDEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000729812604 837437107 /nfs/dbraw/zinc/43/71/07/837437107.db2.gz YFVFBJUBMCMQOL-NVXWUHKLSA-N 1 1 360.479 1.922 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000729812290 837439913 /nfs/dbraw/zinc/43/99/13/837439913.db2.gz RCINNRRUIUOVTD-INIZCTEOSA-N 1 1 373.409 1.686 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000729812290 837439918 /nfs/dbraw/zinc/43/99/18/837439918.db2.gz RCINNRRUIUOVTD-INIZCTEOSA-N 1 1 373.409 1.686 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088462133 830494985 /nfs/dbraw/zinc/49/49/85/830494985.db2.gz IYMYRUUYEMBDFS-DYVFJYSZSA-N 1 1 358.417 1.399 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088462133 830494990 /nfs/dbraw/zinc/49/49/90/830494990.db2.gz IYMYRUUYEMBDFS-DYVFJYSZSA-N 1 1 358.417 1.399 20 30 FDEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000452005303 830501063 /nfs/dbraw/zinc/50/10/63/830501063.db2.gz LZRBLDLOJBFLFI-KBAYOESNSA-N 1 1 357.454 1.883 20 30 FDEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@H](CCCO)C1 ZINC000452113058 830542321 /nfs/dbraw/zinc/54/23/21/830542321.db2.gz AXMZVWLXRHPJMR-HNNXBMFYSA-N 1 1 353.426 1.777 20 30 FDEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@H](CCCO)C1 ZINC000452113058 830542329 /nfs/dbraw/zinc/54/23/29/830542329.db2.gz AXMZVWLXRHPJMR-HNNXBMFYSA-N 1 1 353.426 1.777 20 30 FDEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCO2)[C@H]1C ZINC001088474512 830858475 /nfs/dbraw/zinc/85/84/75/830858475.db2.gz PHNBFHGHDTWLIU-RPVQJOFSSA-N 1 1 359.426 1.061 20 30 FDEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)[C@H]2COCCO2)[C@H]1C ZINC001088474512 830858484 /nfs/dbraw/zinc/85/84/84/830858484.db2.gz PHNBFHGHDTWLIU-RPVQJOFSSA-N 1 1 359.426 1.061 20 30 FDEDMO Cc1nc(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1C#N ZINC000453591168 830961284 /nfs/dbraw/zinc/96/12/84/830961284.db2.gz PGWHTUPVRJPJTM-CHWSQXEVSA-N 1 1 373.457 1.204 20 30 FDEDMO Cc1nc(NC(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)ccc1C#N ZINC000453628850 830986250 /nfs/dbraw/zinc/98/62/50/830986250.db2.gz XDKBRVJGWHRHST-ZDUSSCGKSA-N 1 1 357.458 1.827 20 30 FDEDMO C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 ZINC000453658890 830989973 /nfs/dbraw/zinc/98/99/73/830989973.db2.gz UWYQSKWPMOABRU-CYBMUJFWSA-N 1 1 358.442 1.742 20 30 FDEDMO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000453692949 831008665 /nfs/dbraw/zinc/00/86/65/831008665.db2.gz KKNXCDJMLZHYPB-UHFFFAOYSA-N 1 1 356.426 1.128 20 30 FDEDMO N#CCN1CCC(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000532301454 831121650 /nfs/dbraw/zinc/12/16/50/831121650.db2.gz JPMBTGLKSHTAMW-LJQANCHMSA-N 1 1 355.486 1.645 20 30 FDEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@H]2C1 ZINC000986201565 831279847 /nfs/dbraw/zinc/27/98/47/831279847.db2.gz MIWIWASTPAZJIW-IKGGRYGDSA-N 1 1 363.502 1.226 20 30 FDEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]2C1 ZINC000986201565 831279862 /nfs/dbraw/zinc/27/98/62/831279862.db2.gz MIWIWASTPAZJIW-IKGGRYGDSA-N 1 1 363.502 1.226 20 30 FDEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC000986473594 831739184 /nfs/dbraw/zinc/73/91/84/831739184.db2.gz LNYSSMXOSFTXKR-IKGGRYGDSA-N 1 1 363.502 1.226 20 30 FDEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000986473594 831739187 /nfs/dbraw/zinc/73/91/87/831739187.db2.gz LNYSSMXOSFTXKR-IKGGRYGDSA-N 1 1 363.502 1.226 20 30 FDEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC000986684876 832194616 /nfs/dbraw/zinc/19/46/16/832194616.db2.gz HUZVVHVYHXHXTC-INMHGKMJSA-N 1 1 369.469 1.291 20 30 FDEDMO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000986889790 832290390 /nfs/dbraw/zinc/29/03/90/832290390.db2.gz NJJWYEZBXDVGMT-JJRVBVJISA-N 1 1 371.485 1.583 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@H+](C)Cc2cn(C)nc2C)CC1 ZINC001029997720 832341173 /nfs/dbraw/zinc/34/11/73/832341173.db2.gz AXZPGXYNBHCSAY-MOPGFXCFSA-N 1 1 360.502 1.990 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001088519428 832382489 /nfs/dbraw/zinc/38/24/89/832382489.db2.gz UTBRCTFBDSIAJM-KYJSFNMBSA-N 1 1 370.453 1.194 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)C[C@H]2COC(=O)C2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088523405 832408842 /nfs/dbraw/zinc/40/88/42/832408842.db2.gz DUWKTHDBSHOPAF-MRRJBJDNSA-N 1 1 359.401 1.730 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)C[C@H]2COC(=O)C2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088523405 832408845 /nfs/dbraw/zinc/40/88/45/832408845.db2.gz DUWKTHDBSHOPAF-MRRJBJDNSA-N 1 1 359.401 1.730 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C[C@@H](O)Cc1ccc(F)cc1 ZINC001088529370 832454066 /nfs/dbraw/zinc/45/40/66/832454066.db2.gz SIULPQNESMOSMC-BVGQSLNGSA-N 1 1 370.428 1.822 20 30 FDEDMO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC001088530288 832463030 /nfs/dbraw/zinc/46/30/30/832463030.db2.gz KUCNKOSDLZHDJL-OLMNPRSZSA-N 1 1 371.485 1.870 20 30 FDEDMO CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC001088530288 832463033 /nfs/dbraw/zinc/46/30/33/832463033.db2.gz KUCNKOSDLZHDJL-OLMNPRSZSA-N 1 1 371.485 1.870 20 30 FDEDMO Cc1csc(=O)n1CC[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC001088533821 832490353 /nfs/dbraw/zinc/49/03/53/832490353.db2.gz LJBWRLSCEWXHRT-DOMZBBRYSA-N 1 1 359.455 1.311 20 30 FDEDMO Cc1csc(=O)n1CC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC001088533821 832490361 /nfs/dbraw/zinc/49/03/61/832490361.db2.gz LJBWRLSCEWXHRT-DOMZBBRYSA-N 1 1 359.455 1.311 20 30 FDEDMO COc1ncc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)c(C)n1 ZINC001088533528 832495620 /nfs/dbraw/zinc/49/56/20/832495620.db2.gz WBPGNASOGBLEDD-WBMJQRKESA-N 1 1 354.414 1.386 20 30 FDEDMO COc1ncc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)c(C)n1 ZINC001088533528 832495621 /nfs/dbraw/zinc/49/56/21/832495621.db2.gz WBPGNASOGBLEDD-WBMJQRKESA-N 1 1 354.414 1.386 20 30 FDEDMO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001075885300 832519122 /nfs/dbraw/zinc/51/91/22/832519122.db2.gz PVRLBKSHAYLWNL-QXAKKESOSA-N 1 1 370.497 1.830 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)Cc2ccnn2C)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088545164 832581243 /nfs/dbraw/zinc/58/12/43/832581243.db2.gz 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367.453 1.632 20 30 FDEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccccc2)C[C@@H]1n1ccnn1 ZINC001128976390 884547657 /nfs/dbraw/zinc/54/76/57/884547657.db2.gz SQGHQKWDCJCVQW-UHOSZYNNSA-N 1 1 367.453 1.421 20 30 FDEDMO O=C(C#CC1CC1)N[C@@H]1C[N@H+](CCc2ccccc2F)C[C@@H]1n1ccnn1 ZINC001128985820 884736021 /nfs/dbraw/zinc/73/60/21/884736021.db2.gz VMRMLTRPTCYEBA-MOPGFXCFSA-N 1 1 367.428 1.415 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@]2(C)CC=CCC2)[C@@H](n2ccnn2)C1 ZINC001129009571 885068892 /nfs/dbraw/zinc/06/88/92/885068892.db2.gz GZUSUAZNDGYQBY-ZIFCJYIRSA-N 1 1 359.474 1.569 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CC=CCC2)[C@@H](n2ccnn2)C1 ZINC001129009571 885068904 /nfs/dbraw/zinc/06/89/04/885068904.db2.gz GZUSUAZNDGYQBY-ZIFCJYIRSA-N 1 1 359.474 1.569 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH2+][C@H](C)c2nncn2C)cc1 ZINC001034827689 885235138 /nfs/dbraw/zinc/23/51/38/885235138.db2.gz FIMJYAIZNGFPIL-OLMNPRSZSA-N 1 1 369.469 1.873 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C)C[C@@H]2O)cn1 ZINC001083970498 912922521 /nfs/dbraw/zinc/92/25/21/912922521.db2.gz YZGLCNOPXRKXHG-MOPGFXCFSA-N 1 1 353.397 1.486 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C)C[C@@H]2O)cn1 ZINC001083970498 912922522 /nfs/dbraw/zinc/92/25/22/912922522.db2.gz YZGLCNOPXRKXHG-MOPGFXCFSA-N 1 1 353.397 1.486 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](OC)C3CCCC3)C[C@@H]2O)cn1 ZINC001083970851 912924075 /nfs/dbraw/zinc/92/40/75/912924075.db2.gz KJBMBZYBWXROMC-QYZOEREBSA-N 1 1 357.454 1.043 20 30 FDEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(COC)CCCC2)[C@@H](n2ccnn2)C1 ZINC001129038280 885451614 /nfs/dbraw/zinc/45/16/14/885451614.db2.gz WQLXQGHCSTWHJO-SJORKVTESA-N 1 1 361.490 1.793 20 30 FDEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2nc(CC)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001129053395 885584110 /nfs/dbraw/zinc/58/41/10/885584110.db2.gz YARYLIQNMJETPX-OIISXLGYSA-N 1 1 371.489 1.503 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1csnn1 ZINC001035071814 885599997 /nfs/dbraw/zinc/59/99/97/885599997.db2.gz FBAMVSICDDLWHZ-PMPSAXMXSA-N 1 1 350.488 1.990 20 30 FDEDMO COc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)C(C)(C)C#N)CC2)cc1 ZINC000919352845 885626178 /nfs/dbraw/zinc/62/61/78/885626178.db2.gz UNVXKNAKLVYLEF-UHFFFAOYSA-N 1 1 373.453 1.822 20 30 FDEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001129079411 885687295 /nfs/dbraw/zinc/68/72/95/885687295.db2.gz JFHYCMVBAOWVAI-XYPHTWIQSA-N 1 1 371.489 1.729 20 30 FDEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)c2onc3c2CCCC3)[C@@H](n2ccnn2)C1 ZINC001129106262 885705737 /nfs/dbraw/zinc/70/57/37/885705737.db2.gz GSNJWSQRUWBAQN-SJORKVTESA-N 1 1 370.457 1.766 20 30 FDEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H](n2ccnn2)C1 ZINC001129089205 885716752 /nfs/dbraw/zinc/71/67/52/885716752.db2.gz FLAYMDBAKOSCIY-XYPHTWIQSA-N 1 1 369.473 1.500 20 30 FDEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2[nH]nc3c2CCC3)[C@@H](n2ccnn2)C1 ZINC001129089205 885716766 /nfs/dbraw/zinc/71/67/66/885716766.db2.gz FLAYMDBAKOSCIY-XYPHTWIQSA-N 1 1 369.473 1.500 20 30 FDEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2[nH]nc3c2CCC3)[C@@H](n2ccnn2)C1 ZINC001129089205 885716779 /nfs/dbraw/zinc/71/67/79/885716779.db2.gz FLAYMDBAKOSCIY-XYPHTWIQSA-N 1 1 369.473 1.500 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccnc(OC)c2)[C@@H](n2ccnn2)C1 ZINC001129090433 885719220 /nfs/dbraw/zinc/71/92/20/885719220.db2.gz YIGRVOGKSHNNMK-CVEARBPZSA-N 1 1 356.430 1.303 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001035185920 885734739 /nfs/dbraw/zinc/73/47/39/885734739.db2.gz LZFZLXQLHBHRIQ-SJORKVTESA-N 1 1 363.502 1.370 20 30 FDEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)CC2 ZINC001035198931 885739693 /nfs/dbraw/zinc/73/96/93/885739693.db2.gz XCXVGAAYCNDLOB-KGLIPLIRSA-N 1 1 362.392 1.833 20 30 FDEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2nccn2C)[C@@H](n2ccnn2)C1 ZINC001129122199 885766613 /nfs/dbraw/zinc/76/66/13/885766613.db2.gz GRCJIFRIMWAYIY-ZACQAIPSSA-N 1 1 371.489 1.341 20 30 FDEDMO C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)CC2 ZINC001035227984 885776725 /nfs/dbraw/zinc/77/67/25/885776725.db2.gz CWRVECABVGLJAZ-CABCVRRESA-N 1 1 353.894 1.955 20 30 FDEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001129127461 885815316 /nfs/dbraw/zinc/81/53/16/885815316.db2.gz DEGAVDSYAPWUIW-OIISXLGYSA-N 1 1 357.462 1.123 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001129127481 885815867 /nfs/dbraw/zinc/81/58/67/885815867.db2.gz DRTSHXMMXHBLHF-UAGQMJEPSA-N 1 1 357.462 1.123 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001129127481 885815875 /nfs/dbraw/zinc/81/58/75/885815875.db2.gz DRTSHXMMXHBLHF-UAGQMJEPSA-N 1 1 357.462 1.123 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)Cc2cncc(C)c2)[C@@H](n2ccnn2)C1 ZINC001129128178 885823578 /nfs/dbraw/zinc/82/35/78/885823578.db2.gz SWVHLRAOHCYPDX-MSOLQXFVSA-N 1 1 354.458 1.532 20 30 FDEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cncc(C)c2)[C@@H](n2ccnn2)C1 ZINC001129128466 885825803 /nfs/dbraw/zinc/82/58/03/885825803.db2.gz XOUANOLBHLMOCI-QRQLOZEOSA-N 1 1 368.485 1.920 20 30 FDEDMO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC001035368416 885919982 /nfs/dbraw/zinc/91/99/82/885919982.db2.gz QSEBGAFGAPZPTC-XUVXKRRUSA-N 1 1 356.466 1.647 20 30 FDEDMO C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC001035368416 885919988 /nfs/dbraw/zinc/91/99/88/885919988.db2.gz QSEBGAFGAPZPTC-XUVXKRRUSA-N 1 1 356.466 1.647 20 30 FDEDMO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2C)C[C@@H]1n1ccnn1 ZINC001129189660 886157431 /nfs/dbraw/zinc/15/74/31/886157431.db2.gz UVVXDFSNSXFRTK-MOPGFXCFSA-N 1 1 366.469 1.717 20 30 FDEDMO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@@H]1n1ccnn1 ZINC001129189660 886157436 /nfs/dbraw/zinc/15/74/36/886157436.db2.gz UVVXDFSNSXFRTK-MOPGFXCFSA-N 1 1 366.469 1.717 20 30 FDEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1n1ccnn1 ZINC001129189606 886157509 /nfs/dbraw/zinc/15/75/09/886157509.db2.gz SNMZWZXKBAAANV-NXHRZFHOSA-N 1 1 371.489 1.198 20 30 FDEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccncc2)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129199008 886260013 /nfs/dbraw/zinc/26/00/13/886260013.db2.gz BCOLSFOEDUUXGL-FGTMMUONSA-N 1 1 354.458 1.640 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccncc2)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129199008 886260034 /nfs/dbraw/zinc/26/00/34/886260034.db2.gz BCOLSFOEDUUXGL-FGTMMUONSA-N 1 1 354.458 1.640 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(C[NH+]([C@H]3CCN(C)C3=O)C2)CC1 ZINC001035707882 886342834 /nfs/dbraw/zinc/34/28/34/886342834.db2.gz PMLPGSYTLMNXGN-IKGGRYGDSA-N 1 1 361.486 1.123 20 30 FDEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC2(C[NH+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC001035795847 886452566 /nfs/dbraw/zinc/45/25/66/886452566.db2.gz AXCIFWLCLLSSAO-MSOLQXFVSA-N 1 1 369.440 1.223 20 30 FDEDMO C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000919982710 886504809 /nfs/dbraw/zinc/50/48/09/886504809.db2.gz WIAXEHJJOOOFFT-PBHICJAKSA-N 1 1 364.515 1.400 20 30 FDEDMO C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000919982710 886504811 /nfs/dbraw/zinc/50/48/11/886504811.db2.gz WIAXEHJJOOOFFT-PBHICJAKSA-N 1 1 364.515 1.400 20 30 FDEDMO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077554109 886709655 /nfs/dbraw/zinc/70/96/55/886709655.db2.gz YOELXNUDNJSMCP-VAMGGRTRSA-N 1 1 370.497 1.342 20 30 FDEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H](CNC(=O)OC(C)(C)C)C2(F)F)C1 ZINC000923599539 886712372 /nfs/dbraw/zinc/71/23/72/886712372.db2.gz XFADHOXGQPAEEP-BFHYXJOUSA-N 1 1 371.428 1.606 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H](CNC(=O)OC(C)(C)C)C2(F)F)C1 ZINC000923599539 886712381 /nfs/dbraw/zinc/71/23/81/886712381.db2.gz XFADHOXGQPAEEP-BFHYXJOUSA-N 1 1 371.428 1.606 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Oc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001129252664 886864614 /nfs/dbraw/zinc/86/46/14/886864614.db2.gz GLOZDCCJBAFWNP-NXHRZFHOSA-N 1 1 370.457 1.448 20 30 FDEDMO C=CC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001062263298 887028377 /nfs/dbraw/zinc/02/83/77/887028377.db2.gz DQWHRQPUJHFSAN-BZUAXINKSA-N 1 1 351.491 1.415 20 30 FDEDMO C=CC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001062263298 887028382 /nfs/dbraw/zinc/02/83/82/887028382.db2.gz DQWHRQPUJHFSAN-BZUAXINKSA-N 1 1 351.491 1.415 20 30 FDEDMO C#CCNC(=O)c1ccc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)nc1 ZINC000370184655 887113182 /nfs/dbraw/zinc/11/31/82/887113182.db2.gz OTZITDTWXDQJIE-BEFAXECRSA-N 1 1 366.469 1.673 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C)ncc2C#N)CC[N@H+]1C ZINC001062600820 887145043 /nfs/dbraw/zinc/14/50/43/887145043.db2.gz 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FDEDMO C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001086591424 933768423 /nfs/dbraw/zinc/76/84/23/933768423.db2.gz LELMCHZEBLTLGV-GBESFXJTSA-N 1 1 371.481 1.252 20 30 FDEDMO C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001086594425 933881932 /nfs/dbraw/zinc/88/19/32/933881932.db2.gz YKBACTLKQRQNJM-ZWKOTPCHSA-N 1 1 364.449 1.608 20 30 FDEDMO C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001086596308 933915885 /nfs/dbraw/zinc/91/58/85/933915885.db2.gz VKKURBONSNFFGI-ZWKOTPCHSA-N 1 1 362.495 1.581 20 30 FDEDMO C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001086597859 933980289 /nfs/dbraw/zinc/98/02/89/933980289.db2.gz CRQYKJDASRZWQD-OKZBNKHCSA-N 1 1 356.470 1.547 20 30 FDEDMO C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001086599486 934030676 /nfs/dbraw/zinc/03/06/76/934030676.db2.gz RTQFNTNQVNMNQJ-ZWKOTPCHSA-N 1 1 362.437 1.898 20 30 FDEDMO 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C#CCC[N@@H+]1C[C@@H](NC(=O)CCOc2cccc(C)c2)[C@@H](n2ccnn2)C1 ZINC001129445413 938418336 /nfs/dbraw/zinc/41/83/36/938418336.db2.gz LTNNUKJJKLAODQ-MOPGFXCFSA-N 1 1 367.453 1.420 20 30 FDEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c(C)nn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001129449557 938420027 /nfs/dbraw/zinc/42/00/27/938420027.db2.gz QZZDVSQXQIZQBN-XWIAVFTESA-N 1 1 371.489 1.035 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c(C)nn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001129449557 938420028 /nfs/dbraw/zinc/42/00/28/938420028.db2.gz QZZDVSQXQIZQBN-XWIAVFTESA-N 1 1 371.489 1.035 20 30 FDEDMO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2ccn(C)n2)[C@@H](n2ccnn2)C1 ZINC001129433576 938423402 /nfs/dbraw/zinc/42/34/02/938423402.db2.gz HKEZJGCMHJGALZ-SJORKVTESA-N 1 1 357.462 1.413 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)CCOc2ccccc2C)[C@@H](n2ccnn2)C1 ZINC001129433755 938424043 /nfs/dbraw/zinc/42/40/43/938424043.db2.gz PYOTWPGFKOIHNJ-MSOLQXFVSA-N 1 1 367.453 1.420 20 30 FDEDMO 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ZINC001129778167 938513964 /nfs/dbraw/zinc/51/39/64/938513964.db2.gz PEMOWEDQFDVSJS-CVEARBPZSA-N 1 1 358.471 1.470 20 30 FDEDMO C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2oc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001129834557 938533806 /nfs/dbraw/zinc/53/38/06/938533806.db2.gz ZKLMFVRKHWGGLA-CVEARBPZSA-N 1 1 356.430 1.228 20 30 FDEDMO C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1 ZINC001129876186 938546446 /nfs/dbraw/zinc/54/64/46/938546446.db2.gz DVFGMQPKRHBOLJ-CABCVRRESA-N 1 1 360.487 1.879 20 30 FDEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCC)c1 ZINC000804778097 938566090 /nfs/dbraw/zinc/56/60/90/938566090.db2.gz MMSLYILRCYNSJQ-INIZCTEOSA-N 1 1 363.483 1.202 20 30 FDEDMO C=CCCCC(=O)N1C[C@@H]([NH2+]Cc2snnc2C)[C@@H](n2ccnn2)C1 ZINC001129986510 938609697 /nfs/dbraw/zinc/60/96/97/938609697.db2.gz DERVHZHTTGBMFI-KGLIPLIRSA-N 1 1 361.475 1.336 20 30 FDEDMO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001130086378 938667637 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CSYWEUKQWFMPGB-HOCLYGCPSA-N 1 1 371.441 1.479 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccccc2O)n[nH]1 ZINC001130186430 938731973 /nfs/dbraw/zinc/73/19/73/938731973.db2.gz CSYWEUKQWFMPGB-HOCLYGCPSA-N 1 1 371.441 1.479 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CSCCC)n1 ZINC001130186454 938732282 /nfs/dbraw/zinc/73/22/82/938732282.db2.gz DIQZGPFQBYVOTF-KBPBESRZSA-N 1 1 367.519 1.602 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CSCCC)n[nH]1 ZINC001130186454 938732284 /nfs/dbraw/zinc/73/22/84/938732284.db2.gz DIQZGPFQBYVOTF-KBPBESRZSA-N 1 1 367.519 1.602 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=C(C)C2CC2)[nH]1 ZINC001130186591 938732331 /nfs/dbraw/zinc/73/23/31/938732331.db2.gz GIWFSHFEHITDAQ-TZCWYCDXSA-N 1 1 357.458 1.263 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCSCC)n1 ZINC001130188024 938734461 /nfs/dbraw/zinc/73/44/61/938734461.db2.gz VNTLSJUGLWEHRJ-KBPBESRZSA-N 1 1 365.503 1.050 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCSCC)n[nH]1 ZINC001130188024 938734464 /nfs/dbraw/zinc/73/44/64/938734464.db2.gz VNTLSJUGLWEHRJ-KBPBESRZSA-N 1 1 365.503 1.050 20 30 FDEDMO CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001130205008 938745627 /nfs/dbraw/zinc/74/56/27/938745627.db2.gz PKXYSXLUAZEPAV-GJZGRUSLSA-N 1 1 371.445 1.197 20 30 FDEDMO CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c[nH]c(C#N)c2)n[nH]1 ZINC001130205008 938745629 /nfs/dbraw/zinc/74/56/29/938745629.db2.gz PKXYSXLUAZEPAV-GJZGRUSLSA-N 1 1 371.445 1.197 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CC(C)C)CC2)n1 ZINC001130215804 938752358 /nfs/dbraw/zinc/75/23/58/938752358.db2.gz HJGBSZILXNVBOD-GJZGRUSLSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(CC(C)C)CC2)n[nH]1 ZINC001130215804 938752359 /nfs/dbraw/zinc/75/23/59/938752359.db2.gz HJGBSZILXNVBOD-GJZGRUSLSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H](C)SC)n1 ZINC001130200823 938754610 /nfs/dbraw/zinc/75/46/10/938754610.db2.gz XSMXRORQZRQGIA-IHRRRGAJSA-N 1 1 367.519 1.601 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H](C)SC)n[nH]1 ZINC001130200823 938754612 /nfs/dbraw/zinc/75/46/12/938754612.db2.gz XSMXRORQZRQGIA-IHRRRGAJSA-N 1 1 367.519 1.601 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ccccc2)n1 ZINC001130220707 938756227 /nfs/dbraw/zinc/75/62/27/938756227.db2.gz JONMTFUXHGBMDF-IRXDYDNUSA-N 1 1 367.453 1.149 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2ccccc2)n[nH]1 ZINC001130220707 938756229 /nfs/dbraw/zinc/75/62/29/938756229.db2.gz JONMTFUXHGBMDF-IRXDYDNUSA-N 1 1 367.453 1.149 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(F)CCCC2)n1 ZINC001130220847 938756433 /nfs/dbraw/zinc/75/64/33/938756433.db2.gz ODXRDHNWYUBYGH-KBPBESRZSA-N 1 1 365.453 1.741 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(F)CCCC2)n[nH]1 ZINC001130220847 938756434 /nfs/dbraw/zinc/75/64/34/938756434.db2.gz ODXRDHNWYUBYGH-KBPBESRZSA-N 1 1 365.453 1.741 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@](C)(F)CCCC)n1 ZINC001130223471 938757461 /nfs/dbraw/zinc/75/74/61/938757461.db2.gz VUFSJZUIQCZJID-SUNYJGFJSA-N 1 1 367.469 1.987 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@](C)(F)CCCC)n[nH]1 ZINC001130223471 938757462 /nfs/dbraw/zinc/75/74/62/938757462.db2.gz VUFSJZUIQCZJID-SUNYJGFJSA-N 1 1 367.469 1.987 20 30 FDEDMO C=CC(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCOC)n[nH]1 ZINC001130227594 938761279 /nfs/dbraw/zinc/76/12/79/938761279.db2.gz FTGAXDWNYPSSPH-KBPBESRZSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CC(C)(C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCOC)n1 ZINC001130227594 938761280 /nfs/dbraw/zinc/76/12/80/938761280.db2.gz FTGAXDWNYPSSPH-KBPBESRZSA-N 1 1 365.478 1.132 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](F)c2ccccc2)[nH]1 ZINC001130240338 938762827 /nfs/dbraw/zinc/76/28/27/938762827.db2.gz OUKLHHFOTOAMPX-YQQAZPJKSA-N 1 1 371.416 1.227 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC2(C)C)[nH]1 ZINC001130230317 938763858 /nfs/dbraw/zinc/76/38/58/938763858.db2.gz RTZMZHHZFWFWMR-ZNMIVQPWSA-N 1 1 359.474 1.343 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)ccc2F)[nH]1 ZINC001130242336 938769617 /nfs/dbraw/zinc/76/96/17/938769617.db2.gz RQPRSACXUYWKLA-BBRMVZONSA-N 1 1 371.416 1.278 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)ccc2F)n[nH]1 ZINC001130242336 938769619 /nfs/dbraw/zinc/76/96/19/938769619.db2.gz RQPRSACXUYWKLA-BBRMVZONSA-N 1 1 371.416 1.278 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@](C)(CC)CCC)[nH]1 ZINC001130244869 938770586 /nfs/dbraw/zinc/77/05/86/938770586.db2.gz OMARBGQURKXAMH-YZVOILCLSA-N 1 1 361.490 1.733 20 30 FDEDMO 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HFBIJJLLWLYECB-GOEBONIOSA-N 1 1 370.457 1.688 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3[nH]c(C)cc3C)n[nH]2)O1 ZINC001130790313 940164567 /nfs/dbraw/zinc/16/45/67/940164567.db2.gz SPZKMNABRUPNQP-LSDHHAIUSA-N 1 1 370.457 1.513 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3C[C@H]3CCC)n[nH]2)O1 ZINC001130807155 940181868 /nfs/dbraw/zinc/18/18/68/940181868.db2.gz RABKBQADOGUNMM-QKPAOTATSA-N 1 1 359.474 1.690 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(C(C)(F)F)CC3)n[nH]2)O1 ZINC001130809354 940187593 /nfs/dbraw/zinc/18/75/93/940187593.db2.gz TXLVIOFCRDTUOG-NWDGAFQWSA-N 1 1 367.400 1.299 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3occc3C)n[nH]2)O1 ZINC001130809449 940188582 /nfs/dbraw/zinc/18/85/82/940188582.db2.gz YXCPYNQILXDRMX-LSDHHAIUSA-N 1 1 371.441 1.398 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC34CCC4)n[nH]2)O1 ZINC001130809468 940188614 /nfs/dbraw/zinc/18/86/14/940188614.db2.gz ZVIZDRDCFUAWOD-RRFJBIMHSA-N 1 1 359.474 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SPSRFMLILRMTDL-ZACQAIPSSA-N 1 1 351.491 1.559 20 30 FDEDMO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCCC)C2 ZINC001110363870 963955470 /nfs/dbraw/zinc/95/54/70/963955470.db2.gz SPSRFMLILRMTDL-ZACQAIPSSA-N 1 1 351.491 1.559 20 30 FDEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CCC(C)C)NC(C)=O)C2 ZINC001110214584 964014014 /nfs/dbraw/zinc/01/40/14/964014014.db2.gz NEQSETFDAVPFRH-XWSJACJDSA-N 1 1 363.502 1.299 20 30 FDEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CCC(C)C)NC(C)=O)C2 ZINC001110214584 964014023 /nfs/dbraw/zinc/01/40/23/964014023.db2.gz NEQSETFDAVPFRH-XWSJACJDSA-N 1 1 363.502 1.299 20 30 FDEDMO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C(N)=O)c1 ZINC001110366158 964026876 /nfs/dbraw/zinc/02/68/76/964026876.db2.gz LERSFAQULZKUAD-PIKADFDJSA-N 1 1 371.481 1.988 20 30 FDEDMO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C(N)=O)c1 ZINC001110366158 964026883 /nfs/dbraw/zinc/02/68/83/964026883.db2.gz LERSFAQULZKUAD-PIKADFDJSA-N 1 1 371.481 1.988 20 30 FDEDMO C=CCCNCc1cn([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001185943340 964207004 /nfs/dbraw/zinc/20/70/04/964207004.db2.gz RUUNKIKTLUTGAL-BPQIPLTHSA-N 1 1 360.506 1.448 20 30 FDEDMO C=CCCNCc1cn([C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001185943340 964207014 /nfs/dbraw/zinc/20/70/14/964207014.db2.gz RUUNKIKTLUTGAL-BPQIPLTHSA-N 1 1 360.506 1.448 20 30 FDEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3OCC[C@H]3CC)C2)nn1 ZINC001185956087 964220043 /nfs/dbraw/zinc/22/00/43/964220043.db2.gz YECQUONXWMPNIJ-NXHRZFHOSA-N 1 1 361.490 1.922 20 30 FDEDMO C=CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)nn1 ZINC001186007954 964251608 /nfs/dbraw/zinc/25/16/08/964251608.db2.gz LWGPOKKZTIEJMJ-FGTMMUONSA-N 1 1 369.473 1.254 20 30 FDEDMO C=CCOCC(=O)NC[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1c1ccc(F)cc1 ZINC001186179907 964331336 /nfs/dbraw/zinc/33/13/36/964331336.db2.gz IKYNWTCYXVNJGQ-NVXWUHKLSA-N 1 1 363.433 1.035 20 30 FDEDMO C=CCOCC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1c1ccc(F)cc1 ZINC001186179907 964331348 /nfs/dbraw/zinc/33/13/48/964331348.db2.gz IKYNWTCYXVNJGQ-NVXWUHKLSA-N 1 1 363.433 1.035 20 30 FDEDMO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H](COC)OC)C1 ZINC001186196378 964344598 /nfs/dbraw/zinc/34/45/98/964344598.db2.gz JNKYAZIGBGGALQ-BHIYHBOVSA-N 1 1 362.445 1.642 20 30 FDEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)OC)C2 ZINC001110377235 964351621 /nfs/dbraw/zinc/35/16/21/964351621.db2.gz DCHIYSKRZKDGCZ-HZMVEIRTSA-N 1 1 351.491 1.558 20 30 FDEDMO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)OC)C2 ZINC001110377235 964351628 /nfs/dbraw/zinc/35/16/28/964351628.db2.gz DCHIYSKRZKDGCZ-HZMVEIRTSA-N 1 1 351.491 1.558 20 30 FDEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)cc1 ZINC000957567342 1013502667 /nfs/dbraw/zinc/50/26/67/1013502667.db2.gz YWQHJHZKQCQSEN-PERKRYKHSA-N 1 1 365.477 1.731 20 30 FDEDMO CCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC#Cc3ccccc3)C[C@H]21 ZINC001186670942 964622068 /nfs/dbraw/zinc/62/20/68/964622068.db2.gz DEGXXRRVGOPXIT-RBUKOAKNSA-N 1 1 353.466 1.487 20 30 FDEDMO CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC#Cc3ccccc3)C[C@H]21 ZINC001186670942 964622075 /nfs/dbraw/zinc/62/20/75/964622075.db2.gz DEGXXRRVGOPXIT-RBUKOAKNSA-N 1 1 353.466 1.487 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccnc3)[C@@H]2C1 ZINC001186676504 964682260 /nfs/dbraw/zinc/68/22/60/964682260.db2.gz HFWVNHKBKNJROO-ZWKOTPCHSA-N 1 1 354.454 1.429 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccnc3)[C@@H]2C1 ZINC001186676504 964682266 /nfs/dbraw/zinc/68/22/66/964682266.db2.gz HFWVNHKBKNJROO-ZWKOTPCHSA-N 1 1 354.454 1.429 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC(C)C)[C@@H]2C1 ZINC001186811899 964774695 /nfs/dbraw/zinc/77/46/95/964774695.db2.gz KONZYCMHLZMDIK-HRCADAONSA-N 1 1 364.490 1.356 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC(C)C)[C@@H]2C1 ZINC001186811899 964774704 /nfs/dbraw/zinc/77/47/04/964774704.db2.gz KONZYCMHLZMDIK-HRCADAONSA-N 1 1 364.490 1.356 20 30 FDEDMO CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 ZINC001186941026 964856413 /nfs/dbraw/zinc/85/64/13/964856413.db2.gz ZGXFYTYXHCCSPL-IJEWVQPXSA-N 1 1 366.531 1.469 20 30 FDEDMO CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 ZINC001186941026 964856424 /nfs/dbraw/zinc/85/64/24/964856424.db2.gz ZGXFYTYXHCCSPL-IJEWVQPXSA-N 1 1 366.531 1.469 20 30 FDEDMO C[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 ZINC001186908692 964866589 /nfs/dbraw/zinc/86/65/89/964866589.db2.gz PLRZEVUNMWKMIV-OWCLPIDISA-N 1 1 364.515 1.177 20 30 FDEDMO C[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 ZINC001186908692 964866594 /nfs/dbraw/zinc/86/65/94/964866594.db2.gz PLRZEVUNMWKMIV-OWCLPIDISA-N 1 1 364.515 1.177 20 30 FDEDMO COc1ncc(C[N@@H+]2C[C@@H]3CCN(C(=O)CSCC#N)[C@@H]3C2)c(C)n1 ZINC001186917397 964876554 /nfs/dbraw/zinc/87/65/54/964876554.db2.gz NGTCYEPLKINEMR-DZGCQCFKSA-N 1 1 361.471 1.083 20 30 FDEDMO COc1ncc(C[N@H+]2C[C@@H]3CCN(C(=O)CSCC#N)[C@@H]3C2)c(C)n1 ZINC001186917397 964876560 /nfs/dbraw/zinc/87/65/60/964876560.db2.gz NGTCYEPLKINEMR-DZGCQCFKSA-N 1 1 361.471 1.083 20 30 FDEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 ZINC001186917423 964876619 /nfs/dbraw/zinc/87/66/19/964876619.db2.gz OPRQVKPCRBNSRA-JKSUJKDBSA-N 1 1 364.515 1.200 20 30 FDEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 ZINC001186917423 964876626 /nfs/dbraw/zinc/87/66/26/964876626.db2.gz OPRQVKPCRBNSRA-JKSUJKDBSA-N 1 1 364.515 1.200 20 30 FDEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCOC)[C@@H]2C1 ZINC001187038788 964946657 /nfs/dbraw/zinc/94/66/57/964946657.db2.gz YESUHKIXNFDYAK-DLBZAZTESA-N 1 1 351.491 1.370 20 30 FDEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCOC)[C@@H]2C1 ZINC001187038788 964946658 /nfs/dbraw/zinc/94/66/58/964946658.db2.gz YESUHKIXNFDYAK-DLBZAZTESA-N 1 1 351.491 1.370 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ncoc3C)[C@@H]2C1 ZINC001187102580 964979098 /nfs/dbraw/zinc/97/90/98/964979098.db2.gz YZLRKGDFJIBANG-JKSUJKDBSA-N 1 1 358.442 1.330 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ncoc3C)[C@@H]2C1 ZINC001187102580 964979106 /nfs/dbraw/zinc/97/91/06/964979106.db2.gz YZLRKGDFJIBANG-JKSUJKDBSA-N 1 1 358.442 1.330 20 30 FDEDMO COc1ccc(NC(=O)[C@H](C)C#N)cc1OCCC[NH+]1CCN(C)CC1 ZINC001179894018 965019279 /nfs/dbraw/zinc/01/92/79/965019279.db2.gz HSIRJUASZCQWLV-OAHLLOKOSA-N 1 1 360.458 1.810 20 30 FDEDMO Cc1noc(C)c1S(=O)(=O)N(CC1([NH3+])CCCCC1)C(=O)C(C)C#N ZINC001179902717 965041318 /nfs/dbraw/zinc/04/13/18/965041318.db2.gz RMYFYGZWEFRUBR-NSHDSACASA-N 1 1 368.459 1.630 20 30 FDEDMO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cc1ccc(F)cc1 ZINC001110390361 965056537 /nfs/dbraw/zinc/05/65/37/965056537.db2.gz JZNIYRCGRLLXSF-HCXYKTFWSA-N 1 1 362.445 1.653 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCCOC)[C@@H]2C1 ZINC001187198118 965079542 /nfs/dbraw/zinc/07/95/42/965079542.db2.gz BCWUAEXYHDTDQG-ZWKOTPCHSA-N 1 1 363.502 1.536 20 30 FDEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)CCC)[C@@H]2C1 ZINC001187199820 965083833 /nfs/dbraw/zinc/08/38/33/965083833.db2.gz PYYGZVVAZMCZMY-HRCADAONSA-N 1 1 364.490 1.357 20 30 FDEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)CCC)[C@@H]2C1 ZINC001187199820 965083843 /nfs/dbraw/zinc/08/38/43/965083843.db2.gz PYYGZVVAZMCZMY-HRCADAONSA-N 1 1 364.490 1.357 20 30 FDEDMO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(CC)C3CC3)C[C@H]21 ZINC001187225914 965100215 /nfs/dbraw/zinc/10/02/15/965100215.db2.gz MHIRWVNDPCGQMS-SOLBZPMBSA-N 1 1 363.502 1.511 20 30 FDEDMO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CC(=O)N(CC)C3CC3)C[C@H]21 ZINC001187225914 965100222 /nfs/dbraw/zinc/10/02/22/965100222.db2.gz MHIRWVNDPCGQMS-SOLBZPMBSA-N 1 1 363.502 1.511 20 30 FDEDMO C=CCOCC(=O)N1CC[C@H]2C[N@@H+](CCOC[C@@H]3CCCCO3)C[C@H]21 ZINC001187325617 965188254 /nfs/dbraw/zinc/18/82/54/965188254.db2.gz AGQOPOZOPMSAJS-OKZBNKHCSA-N 1 1 352.475 1.307 20 30 FDEDMO C=CCOCC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)c3cccc(OC)c3)C[C@H]21 ZINC001187326739 965192693 /nfs/dbraw/zinc/19/26/93/965192693.db2.gz QUBPHPXOWMIIAK-UHOSZYNNSA-N 1 1 360.454 1.464 20 30 FDEDMO COc1ccc(COCC[N@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)cc1 ZINC001187333620 965201692 /nfs/dbraw/zinc/20/16/92/965201692.db2.gz DYYAAOFODFJEAK-VDZJLULYSA-N 1 1 357.454 1.904 20 30 FDEDMO C=CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001187296406 965213093 /nfs/dbraw/zinc/21/30/93/965213093.db2.gz NQPQCCAVXALVMI-PKOBYXMFSA-N 1 1 355.438 1.824 20 30 FDEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCCC3CCCCC3)C[C@H]21 ZINC001187311633 965231836 /nfs/dbraw/zinc/23/18/36/965231836.db2.gz JTGCQGIHWKIMOT-RYQLBKOJSA-N 1 1 360.502 1.765 20 30 FDEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCCC3CCCCC3)C[C@H]21 ZINC001187311633 965231853 /nfs/dbraw/zinc/23/18/53/965231853.db2.gz JTGCQGIHWKIMOT-RYQLBKOJSA-N 1 1 360.502 1.765 20 30 FDEDMO C=CCOCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(c4ccccc4)C3=O)C[C@H]21 ZINC001187320355 965242713 /nfs/dbraw/zinc/24/27/13/965242713.db2.gz QAWCHQDUGXQOBI-QXAKKESOSA-N 1 1 369.465 1.527 20 30 FDEDMO C=CCOCC(=O)N1CC[C@H]2C[N@H+](C[C@H](Cc3ccccc3)OC)C[C@H]21 ZINC001187320259 965243442 /nfs/dbraw/zinc/24/34/42/965243442.db2.gz OCXZENDHHDHHAA-SLFFLAALSA-N 1 1 358.482 1.979 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCOC3)[C@@H]2C1 ZINC001187407665 965302274 /nfs/dbraw/zinc/30/22/74/965302274.db2.gz HYACXVWTXUNXSQ-FGTMMUONSA-N 1 1 361.486 1.146 20 30 FDEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](CCCCCn4cncn4)C[C@H]32)c1 ZINC001187465197 965376998 /nfs/dbraw/zinc/37/69/98/965376998.db2.gz ASYLLGXCAUDLLI-FUHWJXTLSA-N 1 1 367.457 1.495 20 30 FDEDMO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C(F)=C(C)C)[C@@H]2C1 ZINC001187510108 965398525 /nfs/dbraw/zinc/39/85/25/965398525.db2.gz ARTRVYSMQZPRGI-LSDHHAIUSA-N 1 1 350.438 1.545 20 30 FDEDMO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C(F)=C(C)C)[C@@H]2C1 ZINC001187510108 965398540 /nfs/dbraw/zinc/39/85/40/965398540.db2.gz ARTRVYSMQZPRGI-LSDHHAIUSA-N 1 1 350.438 1.545 20 30 FDEDMO CC[C@H](C)OCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(CC)CCC#N)C[C@H]21 ZINC001187546780 965489953 /nfs/dbraw/zinc/48/99/53/965489953.db2.gz NXVLPVBONYCPER-YESZJQIVSA-N 1 1 364.490 1.096 20 30 FDEDMO CC[C@H](C)OCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(CC)CCC#N)C[C@H]21 ZINC001187546780 965489962 /nfs/dbraw/zinc/48/99/62/965489962.db2.gz NXVLPVBONYCPER-YESZJQIVSA-N 1 1 364.490 1.096 20 30 FDEDMO N#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCOCC(F)(F)F)C[C@H]32)[nH]1 ZINC001187546748 965490181 /nfs/dbraw/zinc/49/01/81/965490181.db2.gz NJRCVRLOPJETNU-SMDDNHRTSA-N 1 1 356.348 1.612 20 30 FDEDMO C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@H]21 ZINC001187591490 965509481 /nfs/dbraw/zinc/50/94/81/965509481.db2.gz OZHFAWSXBZLDIV-VQTJNVASSA-N 1 1 365.477 1.736 20 30 FDEDMO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)/C=C\c3ccc[nH]3)[C@@H]2C1 ZINC001187652722 965628537 /nfs/dbraw/zinc/62/85/37/965628537.db2.gz AILXBGZRXGVTJG-PRVDXRAFSA-N 1 1 369.469 1.323 20 30 FDEDMO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)/C=C\c3ccc[nH]3)[C@@H]2C1 ZINC001187652722 965628552 /nfs/dbraw/zinc/62/85/52/965628552.db2.gz AILXBGZRXGVTJG-PRVDXRAFSA-N 1 1 369.469 1.323 20 30 FDEDMO C=C[C@@](C)(O)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](CC)CC1 ZINC001180925022 965698614 /nfs/dbraw/zinc/69/86/14/965698614.db2.gz HFUYNIBNGYUTAE-WIYYLYMNSA-N 1 1 373.497 1.205 20 30 FDEDMO C=C[C@](C)(O)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccnc(N(C)C)c3)C[C@H]21 ZINC001187755264 965717972 /nfs/dbraw/zinc/71/79/72/965717972.db2.gz LCXCWJBHNQZPMP-QKLQHJQFSA-N 1 1 358.486 1.507 20 30 FDEDMO 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367.400 1.184 20 30 FDEDMO COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(-n4cccn4)ccn3)[C@@H]2C1 ZINC001189101125 966772905 /nfs/dbraw/zinc/77/29/05/966772905.db2.gz FSLMXNYSNVAUGM-QFBILLFUSA-N 1 1 365.437 1.063 20 30 FDEDMO COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(-n4cccn4)ccn3)[C@@H]2C1 ZINC001189101125 966772913 /nfs/dbraw/zinc/77/29/13/966772913.db2.gz FSLMXNYSNVAUGM-QFBILLFUSA-N 1 1 365.437 1.063 20 30 FDEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]ncc1I ZINC001189139217 966789092 /nfs/dbraw/zinc/78/90/92/966789092.db2.gz IGOOCPCGRGEFEF-VIFPVBQESA-N 1 1 360.199 1.395 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001189167104 966827650 /nfs/dbraw/zinc/82/76/50/966827650.db2.gz BFAQOBXUKNDPGE-MLHJIOFPSA-N 1 1 361.486 1.027 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001189167104 966827659 /nfs/dbraw/zinc/82/76/59/966827659.db2.gz BFAQOBXUKNDPGE-MLHJIOFPSA-N 1 1 361.486 1.027 20 30 FDEDMO O=C(COC[C@H]1CCOC1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001189294116 966877571 /nfs/dbraw/zinc/87/75/71/966877571.db2.gz YWCBLXKLUBUSDW-PCCBWWKXSA-N 1 1 368.477 1.624 20 30 FDEDMO O=C(COC[C@H]1CCOC1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001189294116 966877579 /nfs/dbraw/zinc/87/75/79/966877579.db2.gz YWCBLXKLUBUSDW-PCCBWWKXSA-N 1 1 368.477 1.624 20 30 FDEDMO COCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001189303254 966882681 /nfs/dbraw/zinc/88/26/81/966882681.db2.gz KAJMPCHZXXFIPG-GRDNDAEWSA-N 1 1 363.483 1.704 20 30 FDEDMO COCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001189303254 966882689 /nfs/dbraw/zinc/88/26/89/966882689.db2.gz KAJMPCHZXXFIPG-GRDNDAEWSA-N 1 1 363.483 1.704 20 30 FDEDMO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(CC)nc3C)[C@@H]2C1 ZINC001189267226 966887831 /nfs/dbraw/zinc/88/78/31/966887831.db2.gz KZOHXDWURZTTHI-YQQAZPJKSA-N 1 1 359.474 1.048 20 30 FDEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cn(CC)nc3C)[C@@H]2C1 ZINC001189267226 966887841 /nfs/dbraw/zinc/88/78/41/966887841.db2.gz KZOHXDWURZTTHI-YQQAZPJKSA-N 1 1 359.474 1.048 20 30 FDEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)Cc3ccccc3)[C@@H]2C1 ZINC001189275360 966892621 /nfs/dbraw/zinc/89/26/21/966892621.db2.gz AYOKYJSYROFFHO-HSALFYBXSA-N 1 1 367.493 1.537 20 30 FDEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)Cc3ccccc3)[C@@H]2C1 ZINC001189275360 966892626 /nfs/dbraw/zinc/89/26/26/966892626.db2.gz AYOKYJSYROFFHO-HSALFYBXSA-N 1 1 367.493 1.537 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccsc3Cl)[C@@H]2C1 ZINC001189317359 966907268 /nfs/dbraw/zinc/90/72/68/966907268.db2.gz LVZHDODDWRKHLY-MBNYWOFBSA-N 1 1 365.886 1.686 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccsc3Cl)[C@@H]2C1 ZINC001189317359 966907270 /nfs/dbraw/zinc/90/72/70/966907270.db2.gz LVZHDODDWRKHLY-MBNYWOFBSA-N 1 1 365.886 1.686 20 30 FDEDMO 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C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)c3cc(C)oc3C)[C@@H]2C1 ZINC001189425341 966970197 /nfs/dbraw/zinc/97/01/97/966970197.db2.gz KLFGATNIIOEHMP-QILLFSRXSA-N 1 1 357.454 1.282 20 30 FDEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccco3)[C@@H]2C1 ZINC001189497765 967014076 /nfs/dbraw/zinc/01/40/76/967014076.db2.gz JEKXBBOKEAPTDG-FUHWJXTLSA-N 1 1 359.470 1.779 20 30 FDEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccco3)[C@@H]2C1 ZINC001189497765 967014082 /nfs/dbraw/zinc/01/40/82/967014082.db2.gz JEKXBBOKEAPTDG-FUHWJXTLSA-N 1 1 359.470 1.779 20 30 FDEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3coc4ccccc34)[C@@H]2C1 ZINC001189529971 967050762 /nfs/dbraw/zinc/05/07/62/967050762.db2.gz BKDPBLOYPOBECG-MAUKXSAKSA-N 1 1 367.449 1.810 20 30 FDEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3coc4ccccc34)[C@@H]2C1 ZINC001189529971 967050771 /nfs/dbraw/zinc/05/07/71/967050771.db2.gz BKDPBLOYPOBECG-MAUKXSAKSA-N 1 1 367.449 1.810 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCC(=O)NC3CCCC3)[C@@H]2C1 ZINC001189537078 967057361 /nfs/dbraw/zinc/05/73/61/967057361.db2.gz COLFFQYUTOXCDR-FUHWJXTLSA-N 1 1 363.502 1.561 20 30 FDEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)COC)[C@@H]2C1 ZINC001189605303 967079387 /nfs/dbraw/zinc/07/93/87/967079387.db2.gz LGFSLPKRRDICEZ-FGTMMUONSA-N 1 1 365.518 1.616 20 30 FDEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)COC)[C@@H]2C1 ZINC001189605303 967079397 /nfs/dbraw/zinc/07/93/97/967079397.db2.gz LGFSLPKRRDICEZ-FGTMMUONSA-N 1 1 365.518 1.616 20 30 FDEDMO COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(OC(C)C)n3)[C@@H]2C1 ZINC001189590233 967090883 /nfs/dbraw/zinc/09/08/83/967090883.db2.gz BZUMYTMXWKBKPU-FUHWJXTLSA-N 1 1 357.454 1.665 20 30 FDEDMO COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(OC(C)C)n3)[C@@H]2C1 ZINC001189590233 967090893 /nfs/dbraw/zinc/09/08/93/967090893.db2.gz BZUMYTMXWKBKPU-FUHWJXTLSA-N 1 1 357.454 1.665 20 30 FDEDMO CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)COCc3nncn3C)[C@@H]2C1 ZINC001189612123 967111392 /nfs/dbraw/zinc/11/13/92/967111392.db2.gz FMGBINJAADIMRM-DLBZAZTESA-N 1 1 363.506 1.835 20 30 FDEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCCCC(N)=O)[C@@H]3C2)s1 ZINC001189691784 967184752 /nfs/dbraw/zinc/18/47/52/967184752.db2.gz JCQLHTQQFASWIL-XJKSGUPXSA-N 1 1 360.483 1.698 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CCCCC(N)=O)[C@@H]3C2)s1 ZINC001189691784 967184762 /nfs/dbraw/zinc/18/47/62/967184762.db2.gz JCQLHTQQFASWIL-XJKSGUPXSA-N 1 1 360.483 1.698 20 30 FDEDMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCC[C@@](C#N)(c3ccccn3)C2)CC1 ZINC000852326257 967224362 /nfs/dbraw/zinc/22/43/62/967224362.db2.gz MVQWFLZWVXZNJE-PXNSSMCTSA-N 1 1 355.486 1.491 20 30 FDEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(C(C)C)c3C)[C@@H]2C1 ZINC001189732909 967238979 /nfs/dbraw/zinc/23/89/79/967238979.db2.gz RWHSDGDFDSYKDP-DOTOQJQBSA-N 1 1 359.474 1.221 20 30 FDEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(C(C)C)c3C)[C@@H]2C1 ZINC001189732909 967238988 /nfs/dbraw/zinc/23/89/88/967238988.db2.gz RWHSDGDFDSYKDP-DOTOQJQBSA-N 1 1 359.474 1.221 20 30 FDEDMO C#CCC[NH+]1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000776593469 967279722 /nfs/dbraw/zinc/27/97/22/967279722.db2.gz YGXDAFIOJLJPDN-SJORKVTESA-N 1 1 371.481 1.664 20 30 FDEDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000852415639 967287212 /nfs/dbraw/zinc/28/72/12/967287212.db2.gz RBSXCNHZFFZZFE-RVSPLBMKSA-N 1 1 366.377 1.144 20 30 FDEDMO C#CCC[NH+]1CCN(CC(=O)NCc2ccc(COC(C)C)cc2)CC1 ZINC000776594544 967299587 /nfs/dbraw/zinc/29/95/87/967299587.db2.gz MBCBUUYISJCRRD-UHFFFAOYSA-N 1 1 357.498 1.869 20 30 FDEDMO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)cc3OC)[C@@H]2C1 ZINC001189866145 967316870 /nfs/dbraw/zinc/31/68/70/967316870.db2.gz ZUNZCHQZYZRTAS-XYJFISCASA-N 1 1 371.481 1.841 20 30 FDEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)cc3OC)[C@@H]2C1 ZINC001189866145 967316880 /nfs/dbraw/zinc/31/68/80/967316880.db2.gz 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/nfs/dbraw/zinc/24/18/58/568241858.db2.gz NYGHDJQZTXRFSB-ZACQAIPSSA-N 1 1 355.442 1.743 20 30 FDEDMO C=CCn1c(COC)nnc1N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000643280410 568487829 /nfs/dbraw/zinc/48/78/29/568487829.db2.gz NPGCLJXQMNMCOD-UHFFFAOYSA-N 1 1 362.522 1.607 20 30 FDEDMO C=CCn1c(COC)nnc1N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000643280410 568487830 /nfs/dbraw/zinc/48/78/30/568487830.db2.gz NPGCLJXQMNMCOD-UHFFFAOYSA-N 1 1 362.522 1.607 20 30 FDEDMO CC(C)[C@@H](C#N)N1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735693084 598619533 /nfs/dbraw/zinc/61/95/33/598619533.db2.gz WGANIYDSVOLUAF-GOSISDBHSA-N 1 1 369.473 1.801 20 30 FDEDMO N#CC1(CS(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000274241091 674588509 /nfs/dbraw/zinc/58/85/09/674588509.db2.gz UBXBCXDQCPRWTI-IRXDYDNUSA-N 1 1 363.483 1.093 20 30 FDEDMO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2c(F)cc(C#N)cc2F)CCCO1 ZINC000277675251 674997018 /nfs/dbraw/zinc/99/70/18/674997018.db2.gz GIVVMFJUBKFSRI-LBPRGKRZSA-N 1 1 373.425 1.616 20 30 FDEDMO C[C@H]1C[N@@H+](CCCNS(=O)(=O)c2c(F)cc(C#N)cc2F)CCCO1 ZINC000277675251 674997022 /nfs/dbraw/zinc/99/70/22/674997022.db2.gz GIVVMFJUBKFSRI-LBPRGKRZSA-N 1 1 373.425 1.616 20 30 FDEDMO COC(=O)CNC(=O)CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277782666 675038773 /nfs/dbraw/zinc/03/87/73/675038773.db2.gz NYGLXAWTAFPXQW-UHFFFAOYSA-N 1 1 364.833 1.013 20 30 FDEDMO C=CCNS(=O)(=O)c1cc(C(=O)N2CC[NH+](CCC)CC2)ccc1F ZINC000074453188 671412167 /nfs/dbraw/zinc/41/21/67/671412167.db2.gz WNYSEWPHJJDRQG-UHFFFAOYSA-N 1 1 369.462 1.458 20 30 FDEDMO OCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCN1CCOCC1 ZINC000086168717 671482890 /nfs/dbraw/zinc/48/28/90/671482890.db2.gz AOLJKBRZOIBZFW-UHFFFAOYSA-N 1 1 356.388 1.683 20 30 FDEDMO OCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCN1CCOCC1 ZINC000086168717 671482892 /nfs/dbraw/zinc/48/28/92/671482892.db2.gz AOLJKBRZOIBZFW-UHFFFAOYSA-N 1 1 356.388 1.683 20 30 FDEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000091621897 671512106 /nfs/dbraw/zinc/51/21/06/671512106.db2.gz QDXCIXCUSOFQKC-HNNXBMFYSA-N 1 1 354.376 1.937 20 30 FDEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000091963817 671514086 /nfs/dbraw/zinc/51/40/86/671514086.db2.gz HBBWAIBVUIXEGQ-CQSZACIVSA-N 1 1 351.472 1.833 20 30 FDEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)c1O ZINC000116870041 671660106 /nfs/dbraw/zinc/66/01/06/671660106.db2.gz CVGIUZAVVJBIDJ-OAHLLOKOSA-N 1 1 354.472 1.643 20 30 FDEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)CC1 ZINC000121753441 671709734 /nfs/dbraw/zinc/70/97/34/671709734.db2.gz SJFOEBQLYIIPOX-MRXNPFEDSA-N 1 1 359.495 1.563 20 30 FDEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)CC1 ZINC000121753441 671709737 /nfs/dbraw/zinc/70/97/37/671709737.db2.gz SJFOEBQLYIIPOX-MRXNPFEDSA-N 1 1 359.495 1.563 20 30 FDEDMO N#Cc1ccc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)o1 ZINC000287896053 675935495 /nfs/dbraw/zinc/93/54/95/675935495.db2.gz RVJZOXHNJDZUFB-HNNXBMFYSA-N 1 1 361.423 1.196 20 30 FDEDMO C[C@H]1CSCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245862767 672467381 /nfs/dbraw/zinc/46/73/81/672467381.db2.gz PJFUWFLUFGAGEN-LSDHHAIUSA-N 1 1 364.540 1.894 20 30 FDEDMO C[C@H]1CSCC[N@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245862767 672467384 /nfs/dbraw/zinc/46/73/84/672467384.db2.gz PJFUWFLUFGAGEN-LSDHHAIUSA-N 1 1 364.540 1.894 20 30 FDEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)NCC1(c2cccc(Cl)c2)CC1 ZINC000261907502 672692041 /nfs/dbraw/zinc/69/20/41/672692041.db2.gz HDTJVUDUVOMFOS-QGZVFWFLSA-N 1 1 361.921 1.536 20 30 FDEDMO C[NH+]=C(NCC(C)(C)N(C)C)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000262016576 672712243 /nfs/dbraw/zinc/71/22/43/672712243.db2.gz XWECGMUDUSEXAV-CYBMUJFWSA-N 1 1 352.914 1.819 20 30 FDEDMO CN1CC[NH+]=C1NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000262477881 672796115 /nfs/dbraw/zinc/79/61/15/672796115.db2.gz CMEFTLMRVVNKQG-UHFFFAOYSA-N 1 1 355.408 1.848 20 30 FDEDMO C#CCCS(=O)(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000289003895 676082452 /nfs/dbraw/zinc/08/24/52/676082452.db2.gz ZJBPSFNZKVUXBQ-UHFFFAOYSA-N 1 1 363.527 1.527 20 30 FDEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000266901299 673212332 /nfs/dbraw/zinc/21/23/32/673212332.db2.gz GPKDKXTWBFYJAU-AWEZNQCLSA-N 1 1 351.472 1.655 20 30 FDEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000266901299 673212335 /nfs/dbraw/zinc/21/23/35/673212335.db2.gz GPKDKXTWBFYJAU-AWEZNQCLSA-N 1 1 351.472 1.655 20 30 FDEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)OC)ccc2OC)CC1 ZINC000267002014 673231624 /nfs/dbraw/zinc/23/16/24/673231624.db2.gz FVFCVIPJOFHJHA-UHFFFAOYSA-N 1 1 368.455 1.411 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000280322144 675406007 /nfs/dbraw/zinc/40/60/07/675406007.db2.gz HDQLNXCMBJFPND-NXEZZACHSA-N 1 1 355.236 1.895 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000280322159 675406035 /nfs/dbraw/zinc/40/60/35/675406035.db2.gz HDQLNXCMBJFPND-VHSXEESVSA-N 1 1 355.236 1.895 20 30 FDEDMO C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000281800843 675561288 /nfs/dbraw/zinc/56/12/88/675561288.db2.gz PZCRXIJUZURIMH-SOLBZPMBSA-N 1 1 364.515 1.965 20 30 FDEDMO Cc1ccc([C@@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)[NH+]2CCCC2)o1 ZINC000282724486 675639059 /nfs/dbraw/zinc/63/90/59/675639059.db2.gz SASQALVJHZZLIH-DZGCQCFKSA-N 1 1 354.476 1.651 20 30 FDEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000292720751 676307141 /nfs/dbraw/zinc/30/71/41/676307141.db2.gz AMFQIBVOUVBZPO-UHFFFAOYSA-N 1 1 357.863 1.532 20 30 FDEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(OCCOCC)cc1 ZINC000293730715 676362260 /nfs/dbraw/zinc/36/22/60/676362260.db2.gz GRGULOGUQTXZRZ-UHFFFAOYSA-N 1 1 354.472 1.335 20 30 FDEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000297957564 676431696 /nfs/dbraw/zinc/43/16/96/676431696.db2.gz UDRNDYPHVLHFHK-UONOGXRCSA-N 1 1 351.472 1.574 20 30 FDEDMO C=CCNC(=O)c1ccc(NC[C@@]2([NH+]3CCOCC3)CCSC2)nc1 ZINC000301230639 676539822 /nfs/dbraw/zinc/53/98/22/676539822.db2.gz IQORZYJYDYDIER-SFHVURJKSA-N 1 1 362.499 1.617 20 30 FDEDMO CC1(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCOCC1 ZINC000328657725 676600905 /nfs/dbraw/zinc/60/09/05/676600905.db2.gz PQXSIEKZGBWTOF-HNNXBMFYSA-N 1 1 353.463 1.225 20 30 FDEDMO C[C@@H]1C[C@@H](NC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC000328690881 676602625 /nfs/dbraw/zinc/60/26/25/676602625.db2.gz BTHVYOWCPATSLF-CABCVRRESA-N 1 1 372.535 1.273 20 30 FDEDMO C[N@H+]1CCC[C@H]1CNC(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000328940270 676613159 /nfs/dbraw/zinc/61/31/59/676613159.db2.gz SJRRCIDYXVTJEI-HNNXBMFYSA-N 1 1 366.487 1.276 20 30 FDEDMO CCN1C[C@H](C)N(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@@H]1C ZINC000329032483 676616730 /nfs/dbraw/zinc/61/67/30/676616730.db2.gz LRYJPYFIGHCSEZ-ONIAQPFYSA-N 1 1 352.523 1.693 20 30 FDEDMO O=C(NCC[NH+]1CCSCC1)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329155624 676623110 /nfs/dbraw/zinc/62/31/10/676623110.db2.gz VILCQUNFOGSOLZ-CQSZACIVSA-N 1 1 354.520 1.472 20 30 FDEDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC000329201884 676624892 /nfs/dbraw/zinc/62/48/92/676624892.db2.gz CATYRFDIWOVLSW-LHUBUQBQSA-N 1 1 351.491 1.825 20 30 FDEDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000329203215 676625154 /nfs/dbraw/zinc/62/51/54/676625154.db2.gz CPSMHOVTVMRMJN-CVEARBPZSA-N 1 1 374.551 1.377 20 30 FDEDMO C[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccon1 ZINC000329233984 676627189 /nfs/dbraw/zinc/62/71/89/676627189.db2.gz HIFASIVYXQQPOA-ZFWWWQNUSA-N 1 1 350.419 1.405 20 30 FDEDMO Cc1ncsc1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329241023 676627835 /nfs/dbraw/zinc/62/78/35/676627835.db2.gz RJUXJAQQGVBSAG-AWEZNQCLSA-N 1 1 366.487 1.621 20 30 FDEDMO O=C(NCC[N@@H+]1CCc2sccc2C1)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329273533 676630089 /nfs/dbraw/zinc/63/00/89/676630089.db2.gz KAKHBVMHDJYYOM-HZPDHXFCSA-N 1 1 365.499 1.900 20 30 FDEDMO O=C(NCC[N@H+]1CCc2sccc2C1)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329273533 676630091 /nfs/dbraw/zinc/63/00/91/676630091.db2.gz KAKHBVMHDJYYOM-HZPDHXFCSA-N 1 1 365.499 1.900 20 30 FDEDMO CC(C)[C@@H]1CCC[N@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000329291362 676631390 /nfs/dbraw/zinc/63/13/90/676631390.db2.gz ASHSTNXMTWEEFO-ZIAGYGMSSA-N 1 1 359.492 1.802 20 30 FDEDMO CC(C)[C@@H]1CCC[N@@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000329291362 676631391 /nfs/dbraw/zinc/63/13/91/676631391.db2.gz ASHSTNXMTWEEFO-ZIAGYGMSSA-N 1 1 359.492 1.802 20 30 FDEDMO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCCS(=O)(=O)C1 ZINC000329332318 676633550 /nfs/dbraw/zinc/63/35/50/676633550.db2.gz ZWCUDSKQEKLDEQ-KRWDZBQOSA-N 1 1 365.499 1.732 20 30 FDEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCCCC[C@H]2O)CC1=O ZINC000329342405 676634079 /nfs/dbraw/zinc/63/40/79/676634079.db2.gz SNWVQOKAPXORON-YLFCFFPRSA-N 1 1 351.491 1.969 20 30 FDEDMO Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cn1C ZINC000329343292 676634100 /nfs/dbraw/zinc/63/41/00/676634100.db2.gz 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360.462 1.059 20 30 FDEDMO C#CCNc1nc(N[C@@H]2C[C@H](O)C2(C)C)nc(N[C@@H]2C[C@H](O)C2(C)C)[nH+]1 ZINC000804624945 938494887 /nfs/dbraw/zinc/49/48/87/938494887.db2.gz STQRQCCCNQBLQE-NDBYEHHHSA-N 1 1 360.462 1.059 20 30 FDEDMO C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001086624767 938499671 /nfs/dbraw/zinc/49/96/71/938499671.db2.gz TXPJEPOMVCKZIT-OTWHNJEPSA-N 1 1 357.454 1.004 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccnc2C(N)=O)C1 ZINC001086625177 938511213 /nfs/dbraw/zinc/51/12/13/938511213.db2.gz NUAZTRWMDALSPB-ZWKOTPCHSA-N 1 1 364.449 1.954 20 30 FDEDMO Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@@H]2n2ccnn2)o1 ZINC001129825389 938523175 /nfs/dbraw/zinc/52/31/75/938523175.db2.gz VPODKAPSCDSTKT-CVEARBPZSA-N 1 1 356.430 1.166 20 30 FDEDMO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3c[nH]nc32)C[C@@H]1n1ccnn1 ZINC001129858219 938529858 /nfs/dbraw/zinc/52/98/58/938529858.db2.gz RQIFBJXYHOZUEL-BBWFWOEESA-N 1 1 369.473 1.429 20 30 FDEDMO 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BCWGJOFOQSMLQF-AGIUHOORSA-N 1 1 371.432 1.750 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)CC(F)F)n[nH]1 ZINC001130224770 938758653 /nfs/dbraw/zinc/75/86/53/938758653.db2.gz BCWGJOFOQSMLQF-AGIUHOORSA-N 1 1 371.432 1.750 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CCF)CC2)n1 ZINC001130224774 938758656 /nfs/dbraw/zinc/75/86/56/938758656.db2.gz BERJYCWFDCKACD-KBPBESRZSA-N 1 1 363.437 1.046 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(CCF)CC2)n[nH]1 ZINC001130224774 938758658 /nfs/dbraw/zinc/75/86/58/938758658.db2.gz BERJYCWFDCKACD-KBPBESRZSA-N 1 1 363.437 1.046 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]23C[C@H]2CCC3)n1 ZINC001130227609 938761324 /nfs/dbraw/zinc/76/13/24/938761324.db2.gz GTZHIXMPWACRLU-MMMWYMCRSA-N 1 1 359.474 1.649 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@]23C[C@H]2CCC3)n[nH]1 ZINC001130227609 938761325 /nfs/dbraw/zinc/76/13/25/938761325.db2.gz GTZHIXMPWACRLU-MMMWYMCRSA-N 1 1 359.474 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ARXNCMYOTLMPSF-ZIAGYGMSSA-N 1 1 356.417 1.879 20 30 FDEDMO COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1C ZINC001093959323 959360394 /nfs/dbraw/zinc/36/03/94/959360394.db2.gz XFNAZCDMPOMKTA-MLGOLLRUSA-N 1 1 368.441 1.491 20 30 FDEDMO Cc1cc(C#N)nc(NCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC001094131810 959854514 /nfs/dbraw/zinc/85/45/14/959854514.db2.gz BMGGTNUBPZLWRI-MSOLQXFVSA-N 1 1 364.453 1.530 20 30 FDEDMO C#C[C@@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)[C@H]1CCCO1 ZINC000775789698 972480030 /nfs/dbraw/zinc/48/00/30/972480030.db2.gz MYPLMKNWVCRUDY-ZIAGYGMSSA-N 1 1 362.227 1.727 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)c4cccnc4)CCC[C@@H]23)C1=O ZINC001094349817 960279797 /nfs/dbraw/zinc/27/97/97/960279797.db2.gz IWMLSRCNZUVTBG-DBXWQHBBSA-N 1 1 368.481 1.843 20 30 FDEDMO C#C[C@@H]([NH2+]CC(=O)NCc1c(OC)cc(OC)cc1OC)[C@@H]1CCCO1 ZINC000775787824 972498701 /nfs/dbraw/zinc/49/87/01/972498701.db2.gz AIDKNNDRCOYSTQ-CVEARBPZSA-N 1 1 362.426 1.099 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)c4ncc[nH]4)CCC[C@@H]23)C1=O ZINC001094409924 960393260 /nfs/dbraw/zinc/39/32/60/960393260.db2.gz QGCMKDNGWAHYKH-QMTMVMCOSA-N 1 1 357.458 1.171 20 30 FDEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)CCC[C@@H]12 ZINC001094423913 960421563 /nfs/dbraw/zinc/42/15/63/960421563.db2.gz DJUJZSMYHFAPMO-DBXWQHBBSA-N 1 1 357.498 1.629 20 30 FDEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)c3cccn4nnnc34)CCC[C@@H]12 ZINC001094424483 960423497 /nfs/dbraw/zinc/42/34/97/960423497.db2.gz VIPOWJYONZSWTD-RHSMWYFYSA-N 1 1 360.849 1.851 20 30 FDEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)c3cccc4c3NC(=O)CO4)CCC[C@@H]12 ZINC001094433380 960446003 /nfs/dbraw/zinc/44/60/03/960446003.db2.gz HNODDKOGPJWARY-OXQOHEQNSA-N 1 1 353.422 1.625 20 30 FDEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3c3ncccn3)CCC[C@@H]12 ZINC001094438958 960487338 /nfs/dbraw/zinc/48/73/38/960487338.db2.gz USEGEUTUAJFUBF-DBXWQHBBSA-N 1 1 367.497 1.830 20 30 FDEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)c3sccc3-n3ccnn3)CCC[C@@H]12 ZINC001094442695 960504095 /nfs/dbraw/zinc/50/40/95/960504095.db2.gz VMDNMQZOIIUWKD-CRAIPNDOSA-N 1 1 355.467 1.936 20 30 FDEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3COCCN3CC3CCC3)CCC[C@@H]12 ZINC001094477972 960650008 /nfs/dbraw/zinc/65/00/08/960650008.db2.gz NLKXHMHQBQXNMH-SFHLNBCPSA-N 1 1 359.514 1.481 20 30 FDEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)c3c[nH]nc3[C@H]3CCOC3)CCC[C@@H]12 ZINC001094478575 960656465 /nfs/dbraw/zinc/65/64/65/960656465.db2.gz WBSZHOBMUNHNBT-XAUMDUMWSA-N 1 1 356.470 1.911 20 30 FDEDMO C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(S(C)(=O)=O)o3)CCC[C@@H]12 ZINC001094528096 960727780 /nfs/dbraw/zinc/72/77/80/960727780.db2.gz JHGFGWDQECLANT-RHSMWYFYSA-N 1 1 350.440 1.291 20 30 FDEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccc(S(C)(=O)=O)o3)CCC[C@@H]12 ZINC001094528096 960727792 /nfs/dbraw/zinc/72/77/92/960727792.db2.gz JHGFGWDQECLANT-RHSMWYFYSA-N 1 1 350.440 1.291 20 30 FDEDMO C=CCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@@H+](C[C@H]2CCOC2)CC3)nn1 ZINC001094531621 960741341 /nfs/dbraw/zinc/74/13/41/960741341.db2.gz XZGKLUXPHBBCLK-SZVBFZGTSA-N 1 1 359.474 1.475 20 30 FDEDMO C=CCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@@H+](C[C@@H]2CCOC2)CC3)nn1 ZINC001094531620 960742130 /nfs/dbraw/zinc/74/21/30/960742130.db2.gz XZGKLUXPHBBCLK-KVSKMBFKSA-N 1 1 359.474 1.475 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC)CC2 ZINC001094532544 960743510 /nfs/dbraw/zinc/74/35/10/960743510.db2.gz ATNPQBNVOUJKJG-WBQJQJEBSA-N 1 1 363.502 1.465 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnon1)CC2 ZINC001094534984 960752223 /nfs/dbraw/zinc/75/22/23/960752223.db2.gz VJVYRUXAGQPPDD-MJQMVNBJSA-N 1 1 360.458 1.912 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnon1)CC2 ZINC001094534984 960752230 /nfs/dbraw/zinc/75/22/30/960752230.db2.gz VJVYRUXAGQPPDD-MJQMVNBJSA-N 1 1 360.458 1.912 20 30 FDEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4ccnc4)nn3)CCC[C@@H]12 ZINC001094535881 960756728 /nfs/dbraw/zinc/75/67/28/960756728.db2.gz URHXEQLPPYYBJV-YLJYHZDGSA-N 1 1 364.453 1.660 20 30 FDEDMO C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cn(C)nn2)CC3)nc1 ZINC001094563381 960819258 /nfs/dbraw/zinc/81/92/58/960819258.db2.gz SKILPZMTADIUST-UYAOXDASSA-N 1 1 364.453 1.366 20 30 FDEDMO C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@@H+](Cc2cn(C)nn2)CC3)nc1 ZINC001094563381 960819282 /nfs/dbraw/zinc/81/92/82/960819282.db2.gz SKILPZMTADIUST-UYAOXDASSA-N 1 1 364.453 1.366 20 30 FDEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)c3nc4nccc(C)n4n3)CCC[C@@H]12 ZINC001094571587 960842038 /nfs/dbraw/zinc/84/20/38/960842038.db2.gz MFWLKSYJRQPATN-DNVCBOLYSA-N 1 1 352.442 1.430 20 30 FDEDMO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CN(C(C)=O)CCO3)CCC[C@@H]12 ZINC001094571180 960842647 /nfs/dbraw/zinc/84/26/47/960842647.db2.gz XCSLHRPVKWTWBA-QWFCFKBJSA-N 1 1 363.502 1.561 20 30 FDEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)c3cccc(C(=O)NC)n3)CCC[C@@H]12 ZINC001094572632 960848125 /nfs/dbraw/zinc/84/81/25/960848125.db2.gz QGBWXUOFICABCQ-YLJYHZDGSA-N 1 1 354.454 1.439 20 30 FDEDMO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172173913 961537055 /nfs/dbraw/zinc/53/70/55/961537055.db2.gz UFIPLDJSJLUTCC-ZMSDIMECSA-N 1 1 359.474 1.553 20 30 FDEDMO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172173913 961537070 /nfs/dbraw/zinc/53/70/70/961537070.db2.gz UFIPLDJSJLUTCC-ZMSDIMECSA-N 1 1 359.474 1.553 20 30 FDEDMO C[C@@H](CCCC#N)[N@@H+]1CCCn2c(=O)cc(CNC(=O)N(C)C)nc2C1 ZINC001172494996 961685229 /nfs/dbraw/zinc/68/52/29/961685229.db2.gz LKRBWBSQDNEWLG-AWEZNQCLSA-N 1 1 360.462 1.303 20 30 FDEDMO C[C@@H](CCCC#N)[N@H+]1CCCn2c(=O)cc(CNC(=O)N(C)C)nc2C1 ZINC001172494996 961685236 /nfs/dbraw/zinc/68/52/36/961685236.db2.gz LKRBWBSQDNEWLG-AWEZNQCLSA-N 1 1 360.462 1.303 20 30 FDEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccn1C)C2 ZINC001110284829 961883495 /nfs/dbraw/zinc/88/34/95/961883495.db2.gz GNMJHWKGJUYBJN-ZACQAIPSSA-N 1 1 358.486 1.785 20 30 FDEDMO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccn1C)C2 ZINC001110284829 961883524 /nfs/dbraw/zinc/88/35/24/961883524.db2.gz GNMJHWKGJUYBJN-ZACQAIPSSA-N 1 1 358.486 1.785 20 30 FDEDMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cnccn2)C3)cc1C#N ZINC001095123127 962049125 /nfs/dbraw/zinc/04/91/25/962049125.db2.gz MZVYPWLDKPELAY-RYRKJORJSA-N 1 1 363.421 1.892 20 30 FDEDMO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cnccn2)C3)cc1C#N ZINC001095123127 962049136 /nfs/dbraw/zinc/04/91/36/962049136.db2.gz MZVYPWLDKPELAY-RYRKJORJSA-N 1 1 363.421 1.892 20 30 FDEDMO CNC(=O)c1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CSCC#N)C3)c1 ZINC001110301963 962071421 /nfs/dbraw/zinc/07/14/21/962071421.db2.gz QLNBWPOSLYYPEH-ZACQAIPSSA-N 1 1 372.494 1.524 20 30 FDEDMO CNC(=O)c1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CSCC#N)C3)c1 ZINC001110301963 962071438 /nfs/dbraw/zinc/07/14/38/962071438.db2.gz QLNBWPOSLYYPEH-ZACQAIPSSA-N 1 1 372.494 1.524 20 30 FDEDMO CN1CCN(CCC[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173421200 962116033 /nfs/dbraw/zinc/11/60/33/962116033.db2.gz PRRUNKPKIBPMFG-UHFFFAOYSA-N 1 1 369.513 1.390 20 30 FDEDMO N#Cc1ccc(C(=O)N2CCC([N@H+]3CCO[C@@H]4C[C@@H](CO)C[C@@H]43)CC2)cc1 ZINC001173429594 962143802 /nfs/dbraw/zinc/14/38/02/962143802.db2.gz ABMWZRLHVJUPJR-FFZOFVMBSA-N 1 1 369.465 1.635 20 30 FDEDMO N#Cc1ccc(C(=O)N2CCC([N@H+]3CC[C@H]4CNC(=O)[C@H]4C3)CC2)cc1 ZINC001173432560 962152699 /nfs/dbraw/zinc/15/26/99/962152699.db2.gz DKIPORLANQMIOS-WMZOPIPTSA-N 1 1 352.438 1.231 20 30 FDEDMO CNC(=O)N[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001173434236 962156560 /nfs/dbraw/zinc/15/65/60/962156560.db2.gz GTPLODDTNIBVTL-KRWDZBQOSA-N 1 1 369.469 1.556 20 30 FDEDMO C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C)nc2)C3)C1=O ZINC001095182800 962252020 /nfs/dbraw/zinc/25/20/20/962252020.db2.gz GAVZZACXWFBXSR-OWSLCNJRSA-N 1 1 354.454 1.512 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C)nc2)C3)C1=O ZINC001095182800 962252037 /nfs/dbraw/zinc/25/20/37/962252037.db2.gz GAVZZACXWFBXSR-OWSLCNJRSA-N 1 1 354.454 1.512 20 30 FDEDMO N#CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2COCCO2)C3)cc1 ZINC001095191698 962274942 /nfs/dbraw/zinc/27/49/42/962274942.db2.gz HOLIAXQDGRYCEB-BVBHFADKSA-N 1 1 371.437 1.226 20 30 FDEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CN2C(=O)C=CC2=O)CC1 ZINC001182564025 962309252 /nfs/dbraw/zinc/30/92/52/962309252.db2.gz GEJUBYYFJNUOSN-ULQDDVLXSA-N 1 1 359.470 1.484 20 30 FDEDMO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1C1CCN(CC(F)(F)F)CC1 ZINC001173668446 962547847 /nfs/dbraw/zinc/54/78/47/962547847.db2.gz GLBODXPLXCFJFK-HNNXBMFYSA-N 1 1 373.423 1.944 20 30 FDEDMO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1C1CCN(CC(F)(F)F)CC1 ZINC001173668446 962547854 /nfs/dbraw/zinc/54/78/54/962547854.db2.gz GLBODXPLXCFJFK-HNNXBMFYSA-N 1 1 373.423 1.944 20 30 FDEDMO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H](O)Cc2ccccc2)c1 ZINC001095282945 962766426 /nfs/dbraw/zinc/76/64/26/962766426.db2.gz 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FDEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccc(C#N)cc2)CC1 ZINC000136788773 173365288 /nfs/dbraw/zinc/36/52/88/173365288.db2.gz FEHSYMRVWBLWMA-QGZVFWFLSA-N 1 1 355.442 1.006 20 30 FDEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000141563983 173376586 /nfs/dbraw/zinc/37/65/86/173376586.db2.gz UKEHQVDEAJVPRI-SFHVURJKSA-N 1 1 369.469 1.125 20 30 FDEDMO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000175972112 174040595 /nfs/dbraw/zinc/04/05/95/174040595.db2.gz JMCDDKVADIRTLL-ZDUSSCGKSA-N 1 1 369.874 1.554 20 30 FDEDMO CN1CC[NH+](CCOc2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2)CC1 ZINC000176075634 174049331 /nfs/dbraw/zinc/04/93/31/174049331.db2.gz ZZGFOSODUFVYTK-UHFFFAOYSA-N 1 1 353.426 1.765 20 30 FDEDMO C[C@H]1CN=C(N2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)S1 ZINC000177216848 174115103 /nfs/dbraw/zinc/11/51/03/174115103.db2.gz KWDVHKHVDPDHBI-AWEZNQCLSA-N 1 1 357.483 1.996 20 30 FDEDMO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000177381032 174126014 /nfs/dbraw/zinc/12/60/14/174126014.db2.gz NMWCBXCADWXLJH-IBGZPJMESA-N 1 1 360.502 1.256 20 30 FDEDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000177381032 174126017 /nfs/dbraw/zinc/12/60/17/174126017.db2.gz NMWCBXCADWXLJH-IBGZPJMESA-N 1 1 360.502 1.256 20 30 FDEDMO N#Cc1ccc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000181473344 174227930 /nfs/dbraw/zinc/22/79/30/174227930.db2.gz BDKMFPZTYNLLRK-SFHVURJKSA-N 1 1 371.462 1.603 20 30 FDEDMO COCCN1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000179995793 258361065 /nfs/dbraw/zinc/36/10/65/258361065.db2.gz SQJFIHRURWGGOQ-LJQANCHMSA-N 1 1 356.470 1.754 20 30 FDEDMO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000190379163 258388477 /nfs/dbraw/zinc/38/84/77/258388477.db2.gz PNAILKXAJQDATF-YJBOKZPZSA-N 1 1 365.499 1.992 20 30 FDEDMO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000190379163 258388478 /nfs/dbraw/zinc/38/84/78/258388478.db2.gz PNAILKXAJQDATF-YJBOKZPZSA-N 1 1 365.499 1.992 20 30 FDEDMO CC[C@@H](CNC(=O)NCCn1cnc(C#N)n1)[N@H+]1CCc2ccccc2C1 ZINC000553395313 543626013 /nfs/dbraw/zinc/62/60/13/543626013.db2.gz GKOAAEIOGLBALU-KRWDZBQOSA-N 1 1 367.457 1.286 20 30 FDEDMO C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000555194507 543924392 /nfs/dbraw/zinc/92/43/92/543924392.db2.gz NMCGGTQIWGZPJW-MRXNPFEDSA-N 1 1 358.490 1.763 20 30 FDEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000555592354 543982571 /nfs/dbraw/zinc/98/25/71/543982571.db2.gz OJMIVBZMQHEHGD-OALUTQOASA-N 1 1 372.469 1.576 20 30 FDEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](O)[C@@H](N(C)CC(=O)OC(C)(C)C)C1 ZINC000556084065 544091157 /nfs/dbraw/zinc/09/11/57/544091157.db2.gz HDZGTWZJHIIOHD-JCGIZDLHSA-N 1 1 359.470 1.938 20 30 FDEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000556122651 544100618 /nfs/dbraw/zinc/10/06/18/544100618.db2.gz HTSJJRCJPMVRPZ-SJLPKXTDSA-N 1 1 365.518 1.855 20 30 FDEDMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3cnccc3C#N)cc2)CC1 ZINC000557533382 544304123 /nfs/dbraw/zinc/30/41/23/544304123.db2.gz ADLWSXKHFXKLPS-UHFFFAOYSA-N 1 1 363.421 1.271 20 30 FDEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000557766459 544343699 /nfs/dbraw/zinc/34/36/99/544343699.db2.gz GDNQRJLGBGFZES-GOSISDBHSA-N 1 1 372.469 1.134 20 30 FDEDMO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000558661780 544495332 /nfs/dbraw/zinc/49/53/32/544495332.db2.gz NQEORSIFLQGXJY-AEFFLSMTSA-N 1 1 367.453 1.661 20 30 FDEDMO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000558661780 544495337 /nfs/dbraw/zinc/49/53/37/544495337.db2.gz NQEORSIFLQGXJY-AEFFLSMTSA-N 1 1 367.453 1.661 20 30 FDEDMO C=CCn1c(COc2ccccc2F)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000558663134 544496098 /nfs/dbraw/zinc/49/60/98/544496098.db2.gz PYDQXOOSHBIESG-OAHLLOKOSA-N 1 1 373.432 1.703 20 30 FDEDMO C=CCn1c(COc2ccccc2F)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000558663134 544496100 /nfs/dbraw/zinc/49/61/00/544496100.db2.gz PYDQXOOSHBIESG-OAHLLOKOSA-N 1 1 373.432 1.703 20 30 FDEDMO Cn1ccnc1C[NH+]1CCC(C(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000558714059 544513134 /nfs/dbraw/zinc/51/31/34/544513134.db2.gz LIPWUTSQBLBERH-UHFFFAOYSA-N 1 1 354.429 1.939 20 30 FDEDMO Cn1cc[nH+]c1N1CCC(NS(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000558759070 544526509 /nfs/dbraw/zinc/52/65/09/544526509.db2.gz KGFYHPJHHAZIJC-UHFFFAOYSA-N 1 1 363.418 1.378 20 30 FDEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C[C@@H](C)C1 ZINC000560151985 544897883 /nfs/dbraw/zinc/89/78/83/544897883.db2.gz QAEUJWUWMGYPKV-MPGHIAIKSA-N 1 1 366.465 1.636 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3ncccc3S(N)(=O)=O)CC2)cc1 ZINC000301157392 259021758 /nfs/dbraw/zinc/02/17/58/259021758.db2.gz DJLFCLDCXKLSEU-UHFFFAOYSA-N 1 1 371.466 1.313 20 30 FDEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Cl ZINC000321972680 259049205 /nfs/dbraw/zinc/04/92/05/259049205.db2.gz IAOMPILCWWPVBX-STQMWFEESA-N 1 1 355.847 1.353 20 30 FDEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1Cl ZINC000321972680 259049206 /nfs/dbraw/zinc/04/92/06/259049206.db2.gz IAOMPILCWWPVBX-STQMWFEESA-N 1 1 355.847 1.353 20 30 FDEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000329042660 259074036 /nfs/dbraw/zinc/07/40/36/259074036.db2.gz TYMJNOOKBNQERY-SJORKVTESA-N 1 1 358.442 1.140 20 30 FDEDMO Cc1ncc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C#N ZINC000330197372 259132637 /nfs/dbraw/zinc/13/26/37/259132637.db2.gz RSLWJVZQZUTUID-KDOFPFPSSA-N 1 1 360.483 1.899 20 30 FDEDMO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000331908244 259227734 /nfs/dbraw/zinc/22/77/34/259227734.db2.gz ANCGBLJYMROTBX-MJGOQNOKSA-N 1 1 370.497 1.954 20 30 FDEDMO C[C@]1(F)C[NH2+]CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000333504573 259354866 /nfs/dbraw/zinc/35/48/66/259354866.db2.gz DQTKQTMZSZUJNK-APWZRJJASA-N 1 1 373.432 1.002 20 30 FDEDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000365339295 259834714 /nfs/dbraw/zinc/83/47/14/259834714.db2.gz KSHPAWUVHSXEGS-ZTFGCOKTSA-N 1 1 370.453 1.502 20 30 FDEDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)c(C#N)c3)C2)CC1 ZINC000367211804 260010676 /nfs/dbraw/zinc/01/06/76/260010676.db2.gz NNLFINZLXQLFNS-OAHLLOKOSA-N 1 1 358.417 1.324 20 30 FDEDMO C[N@@H+](C[C@@H]1CC12CCN(C(=O)NCCn1cnc(C#N)n1)CC2)C1CC1 ZINC000367576155 260063834 /nfs/dbraw/zinc/06/38/34/260063834.db2.gz OGLWRFJPDPVGTE-AWEZNQCLSA-N 1 1 357.462 1.056 20 30 FDEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@H](C4CC4)C3)CC2)o1 ZINC000367986891 260119088 /nfs/dbraw/zinc/11/90/88/260119088.db2.gz CFTHQSYJWOJDPA-INIZCTEOSA-N 1 1 357.458 1.625 20 30 FDEDMO Cc1c(Cl)cnc(N2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)c1C#N ZINC000368347042 260169429 /nfs/dbraw/zinc/16/94/29/260169429.db2.gz IYVQQCRDBAWLLF-CQSZACIVSA-N 1 1 361.877 1.906 20 30 FDEDMO COC(=O)c1cn([C@@H]2CC[N@@H+](CCCOc3ccc(C#N)cc3)C2)nn1 ZINC000368854459 260248455 /nfs/dbraw/zinc/24/84/55/260248455.db2.gz NXQIKMUEHAJQPA-OAHLLOKOSA-N 1 1 355.398 1.652 20 30 FDEDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc(C#N)nc2)[C@@H]1c1cccs1 ZINC000369539980 260386567 /nfs/dbraw/zinc/38/65/67/260386567.db2.gz LGXBINRGOQSLQG-MLGOLLRUSA-N 1 1 362.480 1.986 20 30 FDEDMO CC(C)n1nccc1NC(=O)[C@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373399468 261007679 /nfs/dbraw/zinc/00/76/79/261007679.db2.gz LNXBROJIDCRJDP-ZDUSSCGKSA-N 1 1 356.434 1.591 20 30 FDEDMO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)o1 ZINC000373476268 261013754 /nfs/dbraw/zinc/01/37/54/261013754.db2.gz VJUGOIYJPMNJGV-HZPDHXFCSA-N 1 1 373.457 1.051 20 30 FDEDMO C[C@H]1C[C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 ZINC000408144883 262088077 /nfs/dbraw/zinc/08/80/77/262088077.db2.gz OOYZYYXLMJQFRS-DOTOQJQBSA-N 1 1 363.483 1.680 20 30 FDEDMO CC[C@H]1CN(C(=O)[C@H](C)n2cnc(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000409927871 262146517 /nfs/dbraw/zinc/14/65/17/262146517.db2.gz VGPPDVQPNRRXHQ-RDJZCZTQSA-N 1 1 352.442 1.834 20 30 FDEDMO C[C@H](C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)n1cnc(C#N)n1 ZINC000409957242 262148408 /nfs/dbraw/zinc/14/84/08/262148408.db2.gz PTPSONHKBWNXFO-DNVCBOLYSA-N 1 1 352.442 1.882 20 30 FDEDMO O=C(C#CC1CC1)N1C[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@H]21 ZINC000972086400 782046525 /nfs/dbraw/zinc/04/65/25/782046525.db2.gz QCNUJUDBNLNRMS-MISYRCLQSA-N 1 1 369.509 1.866 20 30 FDEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCSC[C@@H]3C)CC2)o1 ZINC000934299380 782079150 /nfs/dbraw/zinc/07/91/50/782079150.db2.gz GLMWJBIAXFMUBG-ZDUSSCGKSA-N 1 1 363.487 1.331 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2c(Br)c(C)nn2C)C1 ZINC000931577188 805572150 /nfs/dbraw/zinc/57/21/50/805572150.db2.gz RFAKVQXXQFXKBK-NSHDSACASA-N 1 1 354.252 1.710 20 30 FDEDMO COCC[N@@H+](C)CCN1C[C@@H](Nc2ccc(Cl)c(C#N)n2)CC1=O ZINC000601177993 491898637 /nfs/dbraw/zinc/89/86/37/491898637.db2.gz HGUXCFSDYWIZIR-LBPRGKRZSA-N 1 1 351.838 1.198 20 30 FDEDMO Cn1cc(C#N)c(NC(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)n1 ZINC000610560946 492251719 /nfs/dbraw/zinc/25/17/19/492251719.db2.gz 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FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ncc(C)cc2C)n1 ZINC001130230355 938763805 /nfs/dbraw/zinc/76/38/05/938763805.db2.gz UJAXVKNHOBCCPY-GJZGRUSLSA-N 1 1 370.457 1.395 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ncc(C)cc2C)n[nH]1 ZINC001130230355 938763806 /nfs/dbraw/zinc/76/38/06/938763806.db2.gz UJAXVKNHOBCCPY-GJZGRUSLSA-N 1 1 370.457 1.395 20 30 FDEDMO C=C[C@H](CC)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130232877 938765030 /nfs/dbraw/zinc/76/50/30/938765030.db2.gz RPVWKTCERDMLSL-KBMXLJTQSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C[C@H](CC)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1 ZINC001130232877 938765032 /nfs/dbraw/zinc/76/50/32/938765032.db2.gz RPVWKTCERDMLSL-KBMXLJTQSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccccc2CC)n1 ZINC001130233028 938765295 /nfs/dbraw/zinc/76/52/95/938765295.db2.gz WAWYRYSTSRIBPH-IRXDYDNUSA-N 1 1 369.469 1.945 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccccc2CC)n[nH]1 ZINC001130233028 938765296 /nfs/dbraw/zinc/76/52/96/938765296.db2.gz WAWYRYSTSRIBPH-IRXDYDNUSA-N 1 1 369.469 1.945 20 30 FDEDMO C=C[C@@](C)(CC)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCOC)n[nH]1 ZINC001130234723 938765866 /nfs/dbraw/zinc/76/58/66/938765866.db2.gz JAKFXNXEOTYPET-DEYYWGMASA-N 1 1 365.478 1.132 20 30 FDEDMO C=C[C@@](C)(CC)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCOC)n1 ZINC001130234723 938765868 /nfs/dbraw/zinc/76/58/68/938765868.db2.gz JAKFXNXEOTYPET-DEYYWGMASA-N 1 1 365.478 1.132 20 30 FDEDMO C=C1CC(C)(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CC(C)C)n[nH]2)C1 ZINC001130234923 938766274 /nfs/dbraw/zinc/76/62/74/938766274.db2.gz PLLFHADBTPGSAK-GJZGRUSLSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C1CC(C)(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CC(C)C)n2)C1 ZINC001130234923 938766276 /nfs/dbraw/zinc/76/62/76/938766276.db2.gz PLLFHADBTPGSAK-GJZGRUSLSA-N 1 1 361.490 1.895 20 30 FDEDMO 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ZINC001130244629 938770652 /nfs/dbraw/zinc/77/06/52/938770652.db2.gz MIWKJSGGOKUBMP-STQMWFEESA-N 1 1 360.418 1.069 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2nocc2C)n[nH]1 ZINC001130244629 938770654 /nfs/dbraw/zinc/77/06/54/938770654.db2.gz MIWKJSGGOKUBMP-STQMWFEESA-N 1 1 360.418 1.069 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CC)CCCC2)[nH]1 ZINC001130246413 938771740 /nfs/dbraw/zinc/77/17/40/938771740.db2.gz KHODXVNXQJBOMB-GJZGRUSLSA-N 1 1 359.474 1.487 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)C2CCCC2)[nH]1 ZINC001130246343 938771770 /nfs/dbraw/zinc/77/17/70/938771770.db2.gz GREMWPDGWMDHBK-KBMXLJTQSA-N 1 1 359.474 1.343 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)c(C)c2)[nH]1 ZINC001130249301 938773542 /nfs/dbraw/zinc/77/35/42/938773542.db2.gz WPPJIHMRAFZHIO-IRXDYDNUSA-N 1 1 367.453 1.447 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C)c(C)c2)n[nH]1 ZINC001130249301 938773543 /nfs/dbraw/zinc/77/35/43/938773543.db2.gz WPPJIHMRAFZHIO-IRXDYDNUSA-N 1 1 367.453 1.447 20 30 FDEDMO N#Cc1ccc(N2CC[C@@H](C(=O)OCCC[NH+]3CCOCC3)C2)c(F)c1 ZINC000805585759 938784505 /nfs/dbraw/zinc/78/45/05/938784505.db2.gz QDRMKTJGTSVWKL-MRXNPFEDSA-N 1 1 361.417 1.789 20 30 FDEDMO C=CC[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)c1ccncc1 ZINC000805815571 938831679 /nfs/dbraw/zinc/83/16/79/938831679.db2.gz OENXZUWCARZBFS-DOTOQJQBSA-N 1 1 374.485 1.119 20 30 FDEDMO C=CC[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1ccncc1 ZINC000805815571 938831680 /nfs/dbraw/zinc/83/16/80/938831680.db2.gz OENXZUWCARZBFS-DOTOQJQBSA-N 1 1 374.485 1.119 20 30 FDEDMO C=CC[C@@H](NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccncc1 ZINC000805815155 938831716 /nfs/dbraw/zinc/83/17/16/938831716.db2.gz KRUWSAWDFUSFIU-ZWKOTPCHSA-N 1 1 356.470 1.948 20 30 FDEDMO CNC(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000805825951 938833822 /nfs/dbraw/zinc/83/38/22/938833822.db2.gz LCJRSKKBXSOSBW-IAGOWNOFSA-N 1 1 361.442 1.703 20 30 FDEDMO C=CCOCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001130423282 938844377 /nfs/dbraw/zinc/84/43/77/938844377.db2.gz NTWYJCXPWVYSPK-RKVPGOIHSA-N 1 1 362.474 1.443 20 30 FDEDMO C[C@@H](C#N)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C/C(Cl)=C\Cl)C1 ZINC001130531660 938900182 /nfs/dbraw/zinc/90/01/82/938900182.db2.gz BAYUACLZCYKEKE-VXUMTOOUSA-N 1 1 356.257 1.783 20 30 FDEDMO CN1CCN(Cc2ccc(C(=O)NC3(C#N)CC[NH+](C)CC3)s2)CC1 ZINC001136629990 945231981 /nfs/dbraw/zinc/23/19/81/945231981.db2.gz BXSYNENYMHXJEJ-UHFFFAOYSA-N 1 1 361.515 1.213 20 30 FDEDMO C#CCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001130573858 939874184 /nfs/dbraw/zinc/87/41/84/939874184.db2.gz CMTJKZZPBVVPNP-DOTOQJQBSA-N 1 1 369.473 1.124 20 30 FDEDMO C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnns2)C1 ZINC001130581153 939893850 /nfs/dbraw/zinc/89/38/50/939893850.db2.gz XNULKYSPQUYXAE-GOEBONIOSA-N 1 1 358.471 1.159 20 30 FDEDMO C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCCO1 ZINC000806425817 939922605 /nfs/dbraw/zinc/92/26/05/939922605.db2.gz PEKVWXRBXZBCMK-GBESFXJTSA-N 1 1 369.465 1.064 20 30 FDEDMO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1c1cn(C)cn1 ZINC001130637951 939940315 /nfs/dbraw/zinc/94/03/15/939940315.db2.gz TUKPLLXVVRMBMX-DUVNUKRYSA-N 1 1 357.462 1.399 20 30 FDEDMO CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nocc2C)C1 ZINC001130649201 939944379 /nfs/dbraw/zinc/94/43/79/939944379.db2.gz AALLLSDTSUNBGF-QFBILLFUSA-N 1 1 369.469 1.994 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C=Cc3ccco3)n[nH]2)O1 ZINC001130747586 940053306 /nfs/dbraw/zinc/05/33/06/940053306.db2.gz YUDAVMFWLFDNJR-VKGGURKZSA-N 1 1 357.414 1.723 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C=C(C)C3CC3)n[nH]2)O1 ZINC001130761779 940067505 /nfs/dbraw/zinc/06/75/05/940067505.db2.gz GJXOAQNUMXOXQU-LSALWYQZSA-N 1 1 357.458 1.610 20 30 FDEDMO C=CCCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n1 ZINC001130762412 940071305 /nfs/dbraw/zinc/07/13/05/940071305.db2.gz VCMBUZRSXOXYGS-SOUVJXGZSA-N 1 1 365.478 1.620 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CSC(C)C)n[nH]2)O1 ZINC001130757842 940082421 /nfs/dbraw/zinc/08/24/21/940082421.db2.gz ISMZUOWRQCZGCL-UONOGXRCSA-N 1 1 365.503 1.396 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cncs3)n[nH]2)O1 ZINC001130759606 940086449 /nfs/dbraw/zinc/08/64/49/940086449.db2.gz AUJRVXYGMJVEDT-NWDGAFQWSA-N 1 1 362.459 1.577 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CO[C@H](C)CC)n[nH]2)O1 ZINC001130775154 940092110 /nfs/dbraw/zinc/09/21/10/940092110.db2.gz MLAKBIZKKPMFKM-QLFBSQMISA-N 1 1 365.478 1.622 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccncc3F)n[nH]2)O1 ZINC001130770198 940108274 /nfs/dbraw/zinc/10/82/74/940108274.db2.gz XHYWGRCVAGGGMV-SMDDNHRTSA-N 1 1 360.393 1.265 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)n[nH]2)O1 ZINC001130769995 940108532 /nfs/dbraw/zinc/10/85/32/940108532.db2.gz TUUQPVIRGLDYIJ-DEQQHWRFSA-N 1 1 357.458 1.300 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnccc3C)n[nH]2)O1 ZINC001130772301 940111451 /nfs/dbraw/zinc/11/14/51/940111451.db2.gz GYJFNRGNYRGFGQ-GOEBONIOSA-N 1 1 370.457 1.824 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[C@@H](C)OC)n[nH]2)O1 ZINC001130777269 940128684 /nfs/dbraw/zinc/12/86/84/940128684.db2.gz ZRXNJGXHJYHGKH-QLFBSQMISA-N 1 1 363.462 1.069 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](O)C(C)C)n[nH]2)O1 ZINC001130778155 940130946 /nfs/dbraw/zinc/13/09/46/940130946.db2.gz IUJUHXYTMJCUNQ-SQWLQELKSA-N 1 1 365.478 1.214 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H](C)SC)n[nH]2)O1 ZINC001130781144 940136201 /nfs/dbraw/zinc/13/62/01/940136201.db2.gz QEHGJVVDLYGJTG-FRRDWIJNSA-N 1 1 351.476 1.005 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc[nH]c3CC)n[nH]2)O1 ZINC001130781240 940137016 /nfs/dbraw/zinc/13/70/16/940137016.db2.gz UXNAROFHZNSZGC-XJKSGUPXSA-N 1 1 370.457 1.458 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](OC)C3CCC3)n[nH]2)O1 ZINC001130793812 940144217 /nfs/dbraw/zinc/14/42/17/940144217.db2.gz BCWIDMZXPYKARQ-SQWLQELKSA-N 1 1 363.462 1.232 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)c(C)cn3)n[nH]2)O1 ZINC001130794099 940145609 /nfs/dbraw/zinc/14/56/09/940145609.db2.gz MHZLXMVFTZIBJD-GOEBONIOSA-N 1 1 368.441 1.189 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCC(F)F)n[nH]2)O1 ZINC001130792699 940171828 /nfs/dbraw/zinc/17/18/28/940171828.db2.gz SKNYDGRRWASIGC-NWDGAFQWSA-N 1 1 355.389 1.299 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CCC(F)CC3)n[nH]2)O1 ZINC001130804840 940176903 /nfs/dbraw/zinc/17/69/03/940176903.db2.gz PNKHOAQFBWOHHZ-PFSRBDOWSA-N 1 1 365.453 1.945 20 30 FDEDMO 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/nfs/dbraw/zinc/21/62/67/967216267.db2.gz QLCLYJIENAVDQC-FUHWJXTLSA-N 1 1 352.475 1.307 20 30 FDEDMO N#CC[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000852318778 967218407 /nfs/dbraw/zinc/21/84/07/967218407.db2.gz BATCDYXXFGRUNB-INIZCTEOSA-N 1 1 374.460 1.904 20 30 FDEDMO N#CC[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000852318778 967218413 /nfs/dbraw/zinc/21/84/13/967218413.db2.gz BATCDYXXFGRUNB-INIZCTEOSA-N 1 1 374.460 1.904 20 30 FDEDMO C#CCC[NH+]1CCN([C@@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)CC1 ZINC000776592218 967254941 /nfs/dbraw/zinc/25/49/41/967254941.db2.gz CPSMVUZIHDWCAE-KRWDZBQOSA-N 1 1 371.481 1.146 20 30 FDEDMO C#CCC[NH+]1CCN(CC(=O)Nc2oc(C)c3c2c(=O)[nH]nc3C)CC1 ZINC000776592871 967278411 /nfs/dbraw/zinc/27/84/11/967278411.db2.gz OVBTZOLIAABLSO-UHFFFAOYSA-N 1 1 357.414 1.125 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N[C@H](C)CC)C[C@H]32)nc1 ZINC001189851785 967354818 /nfs/dbraw/zinc/35/48/18/967354818.db2.gz OYUOIBNOCOKGSI-UWWQBHOKSA-N 1 1 354.454 1.124 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)N[C@H](C)CC)C[C@H]32)nc1 ZINC001189851785 967354825 /nfs/dbraw/zinc/35/48/25/967354825.db2.gz OYUOIBNOCOKGSI-UWWQBHOKSA-N 1 1 354.454 1.124 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)c4ccccc43)[C@@H]2C1 ZINC001189892075 967406793 /nfs/dbraw/zinc/40/67/93/967406793.db2.gz XJBLAIKVFFHULZ-WMLDXEAASA-N 1 1 368.437 1.684 20 30 FDEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CNC(=O)c3cccc(F)c3)[C@@H]2C1 ZINC001190042637 967512506 /nfs/dbraw/zinc/51/25/06/967512506.db2.gz RTZABWZCMMZLFV-GOEBONIOSA-N 1 1 365.836 1.841 20 30 FDEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)c3cccc(F)c3)[C@@H]2C1 ZINC001190042637 967512513 /nfs/dbraw/zinc/51/25/13/967512513.db2.gz RTZABWZCMMZLFV-GOEBONIOSA-N 1 1 365.836 1.841 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(NC(N)=O)c3)[C@@H]2C1 ZINC001190090349 967528299 /nfs/dbraw/zinc/52/82/99/967528299.db2.gz PHNVDFSCXXLUER-DOTOQJQBSA-N 1 1 358.442 1.526 20 30 FDEDMO 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20 30 FDEDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000289241682 676109459 /nfs/dbraw/zinc/10/94/59/676109459.db2.gz STUUSYPJYLCYNM-CQSZACIVSA-N 1 1 351.472 1.165 20 30 FDEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000289241682 676109462 /nfs/dbraw/zinc/10/94/62/676109462.db2.gz STUUSYPJYLCYNM-CQSZACIVSA-N 1 1 351.472 1.165 20 30 FDEDMO CCOCCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cncc(C#N)c2)[C@@H](C)C1 ZINC000289466826 676140740 /nfs/dbraw/zinc/14/07/40/676140740.db2.gz MRGVGGAUQJMIEK-WMLDXEAASA-N 1 1 366.487 1.369 20 30 FDEDMO C[C@H](C#N)CN(C)S(=O)(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000281834642 675566471 /nfs/dbraw/zinc/56/64/71/675566471.db2.gz VXLCOTZPAGYSHM-SJLPKXTDSA-N 1 1 364.515 1.777 20 30 FDEDMO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2ccc(C#N)c(Cl)c2)[N@H+](C)C1 ZINC000285200590 675802472 /nfs/dbraw/zinc/80/24/72/675802472.db2.gz VVWRSJJHAJUNMG-STQMWFEESA-N 1 1 357.863 1.551 20 30 FDEDMO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2ccc(C#N)c(Cl)c2)[N@@H+](C)C1 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364.519 1.277 20 30 FDEDMO C[C@@H]1C[NH+](CCCNS(=O)(=O)Cc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000298420702 676461113 /nfs/dbraw/zinc/46/11/13/676461113.db2.gz LGCOIHXNKNYHQQ-HUUCEWRRSA-N 1 1 351.472 1.477 20 30 FDEDMO N#Cc1cccc(CS(=O)(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000298853838 676500479 /nfs/dbraw/zinc/50/04/79/676500479.db2.gz NLMGYURTFMNXNF-UHFFFAOYSA-N 1 1 363.483 1.432 20 30 FDEDMO C[C@@H]1CCCCN1CCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000303907858 676544007 /nfs/dbraw/zinc/54/40/07/676544007.db2.gz XEBZWGDOMXZHND-OAHLLOKOSA-N 1 1 353.511 1.728 20 30 FDEDMO O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000328688773 676602386 /nfs/dbraw/zinc/60/23/86/676602386.db2.gz HUEUHUXRSOZULI-VVLHAWIVSA-N 1 1 351.491 1.685 20 30 FDEDMO CC(C)[C@H](CNC(=O)N[C@H]1CCC(=O)NC12CCC2)[NH+]1CCOCC1 ZINC000328714990 676603757 /nfs/dbraw/zinc/60/37/57/676603757.db2.gz CQUJHQUZLWEMNK-GJZGRUSLSA-N 1 1 352.479 1.888 20 30 FDEDMO CO[C@H]1C[C@@H](C(=O)N2CCC(NC(=O)c3ccsc3)CC2)[N@@H+](C)C1 ZINC000328922664 676612387 /nfs/dbraw/zinc/61/23/87/676612387.db2.gz CODOCNNTACWKGJ-GJZGRUSLSA-N 1 1 351.472 1.763 20 30 FDEDMO CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)C1 ZINC000328966138 676614273 /nfs/dbraw/zinc/61/42/73/676614273.db2.gz SMMUBRBIUXMCPC-OAGGEKHMSA-N 1 1 351.495 1.713 20 30 FDEDMO C[C@@H]1C[C@H](NC(=O)N2CCCS(=O)(=O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000329020643 676616280 /nfs/dbraw/zinc/61/62/80/676616280.db2.gz SNKSRCWAQAHCSP-WBVHZDCISA-N 1 1 365.499 1.684 20 30 FDEDMO C[C@@H]1C[C@H](NC(=O)N2CCCS(=O)(=O)CC2)C[N@H+]1Cc1ccccc1 ZINC000329020643 676616283 /nfs/dbraw/zinc/61/62/83/676616283.db2.gz SNKSRCWAQAHCSP-WBVHZDCISA-N 1 1 365.499 1.684 20 30 FDEDMO C[N@H+]1CC[C@@H]2OCCN(CC(=O)NCCOc3cccc(F)c3)[C@@H]2C1 ZINC000329020774 676616356 /nfs/dbraw/zinc/61/63/56/676616356.db2.gz LYSZNMMYNNJDCZ-SJORKVTESA-N 1 1 351.422 1.566 20 30 FDEDMO C[C@H](NC(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)C1=CC[N@@H+](C)CC1 ZINC000329247503 676628547 /nfs/dbraw/zinc/62/85/47/676628547.db2.gz WDMWFHHDUPOYRU-GJZGRUSLSA-N 1 1 372.535 1.154 20 30 FDEDMO C[C@H](NC(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1)C1=CC[N@@H+](C)CC1 ZINC000329247504 676628560 /nfs/dbraw/zinc/62/85/60/676628560.db2.gz WDMWFHHDUPOYRU-LSDHHAIUSA-N 1 1 372.535 1.154 20 30 FDEDMO CC[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@@H](C)S1(=O)=O ZINC000329296317 676631816 /nfs/dbraw/zinc/63/18/16/676631816.db2.gz STWNJPIMNPFXHO-OWCLPIDISA-N 1 1 359.536 1.776 20 30 FDEDMO Cn1nccc1[C@H]1[C@H](CNC(=O)N2C[C@H](F)C[C@H]2CO)CCC[N@H+]1C ZINC000329339780 676633989 /nfs/dbraw/zinc/63/39/89/676633989.db2.gz NXIQJWUXVAJPRZ-KNCOVGOOSA-N 1 1 353.442 1.122 20 30 FDEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CSc1nnnn1C1CCCC1 ZINC000329367613 676635568 /nfs/dbraw/zinc/63/55/68/676635568.db2.gz KZEJZMNKTUDCNL-ZDUSSCGKSA-N 1 1 353.496 1.083 20 30 FDEDMO CCO[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)[C@@]12CCCO2 ZINC000329371860 676635781 /nfs/dbraw/zinc/63/57/81/676635781.db2.gz JCZBLMKRMQNNOF-FDPKGLCPSA-N 1 1 355.479 1.014 20 30 FDEDMO C[C@H](O)CN1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)[C@H](C)C1 ZINC000329411146 676637586 /nfs/dbraw/zinc/63/75/86/676637586.db2.gz BSVDTUCHFTUJQR-SJORKVTESA-N 1 1 354.539 1.942 20 30 FDEDMO C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[C@@H]1CCCCO1 ZINC000329425239 676638173 /nfs/dbraw/zinc/63/81/73/676638173.db2.gz GRKDGQWACUMBKO-JYJNAYRXSA-N 1 1 352.479 1.096 20 30 FDEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)NCC(C)(C)N1CCS(=O)CC1)C2 ZINC000329541899 676643209 /nfs/dbraw/zinc/64/32/09/676643209.db2.gz XMLJIFIAYYXEDK-AWEZNQCLSA-N 1 1 352.504 1.553 20 30 FDEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000329618718 676646245 /nfs/dbraw/zinc/64/62/45/676646245.db2.gz DZOYLCPUMRDOIG-FZKCQIBNSA-N 1 1 359.536 1.824 20 30 FDEDMO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000329663271 676648188 /nfs/dbraw/zinc/64/81/88/676648188.db2.gz PDOTZQFSLAPIPK-VVLHAWIVSA-N 1 1 371.547 1.920 20 30 FDEDMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)[C@@H](C)C1 ZINC000329708272 676650712 /nfs/dbraw/zinc/65/07/12/676650712.db2.gz MCVVBGKAEJOJJX-TTZDDIAXSA-N 1 1 354.495 1.821 20 30 FDEDMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)C[C@H]1C ZINC000329775226 676655209 /nfs/dbraw/zinc/65/52/09/676655209.db2.gz JCNJRZSETRUERU-OWCLPIDISA-N 1 1 355.479 1.016 20 30 FDEDMO CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CCCCO2)cc[nH+]1 ZINC000329960267 676665630 /nfs/dbraw/zinc/66/56/30/676665630.db2.gz RLYOARZJPZHICZ-IHRRRGAJSA-N 1 1 351.426 1.985 20 30 FDEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000330115235 676673540 /nfs/dbraw/zinc/67/35/40/676673540.db2.gz FMNDCEZQDLGFQS-NEPJUHHUSA-N 1 1 350.385 1.685 20 30 FDEDMO CCc1nsc(N2CCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)CC2)n1 ZINC000330199662 676677843 /nfs/dbraw/zinc/67/78/43/676677843.db2.gz VSJYLGHOAFJELU-LBPRGKRZSA-N 1 1 361.475 1.348 20 30 FDEDMO CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)C1 ZINC000330335488 676684579 /nfs/dbraw/zinc/68/45/79/676684579.db2.gz RPGZJIPHZXYNGY-HZPDHXFCSA-N 1 1 372.535 1.132 20 30 FDEDMO COC(=O)[C@]1(C)C[N@H+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)C[C@H]1C ZINC000330372896 676686003 /nfs/dbraw/zinc/68/60/03/676686003.db2.gz CFFLRGJIWIYGGT-VYUIOLGVSA-N 1 1 353.341 1.098 20 30 FDEDMO COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000330377851 676686886 /nfs/dbraw/zinc/68/68/86/676686886.db2.gz QOBWYFSEAPKNOJ-IXDOHACOSA-N 1 1 372.535 1.430 20 30 FDEDMO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000330378784 676687016 /nfs/dbraw/zinc/68/70/16/676687016.db2.gz RUJBERBDGVAONS-SJLPKXTDSA-N 1 1 364.515 1.967 20 30 FDEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000330383694 676687626 /nfs/dbraw/zinc/68/76/26/676687626.db2.gz YRLDFBHUZAFJET-INIZCTEOSA-N 1 1 364.515 1.839 20 30 FDEDMO COC(=O)[C@]1(C)C[N@H+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)C[C@H]1C ZINC000330388627 676688079 /nfs/dbraw/zinc/68/80/79/676688079.db2.gz XCAOLDRCZVIGLP-SNUQEOBHSA-N 1 1 353.463 1.869 20 30 FDEDMO C[C@@H]1C[C@@H](NC(=O)c2ccccc2S(=O)(=O)CCN(C)C)CC[N@@H+]1C ZINC000330580178 676697376 /nfs/dbraw/zinc/69/73/76/676697376.db2.gz KJMACZXWUXSNLR-CABCVRRESA-N 1 1 367.515 1.809 20 30 FDEDMO C[C@@H]1C[C@@H](NC(=O)c2ccccc2S(=O)(=O)CCN(C)C)CC[N@H+]1C ZINC000330580178 676697378 /nfs/dbraw/zinc/69/73/78/676697378.db2.gz KJMACZXWUXSNLR-CABCVRRESA-N 1 1 367.515 1.809 20 30 FDEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000330588776 676697627 /nfs/dbraw/zinc/69/76/27/676697627.db2.gz MUYULYLOTMNVRQ-KGLIPLIRSA-N 1 1 351.472 1.316 20 30 FDEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000330588776 676697629 /nfs/dbraw/zinc/69/76/29/676697629.db2.gz MUYULYLOTMNVRQ-KGLIPLIRSA-N 1 1 351.472 1.316 20 30 FDEDMO COC(=O)c1cnc(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000330621702 676698408 /nfs/dbraw/zinc/69/84/08/676698408.db2.gz MRVNTOHNGQCCDW-TXEJJXNPSA-N 1 1 350.419 1.456 20 30 FDEDMO COC(=O)c1cnc(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000330621702 676698410 /nfs/dbraw/zinc/69/84/10/676698410.db2.gz MRVNTOHNGQCCDW-TXEJJXNPSA-N 1 1 350.419 1.456 20 30 FDEDMO Cc1cc(C)c(CNC(=O)N2CCC([N@@H+](C)CCCO)CC2)c(=O)[nH]1 ZINC000330870173 676707598 /nfs/dbraw/zinc/70/75/98/676707598.db2.gz QMDGPRMOIGFCKJ-UHFFFAOYSA-N 1 1 350.463 1.597 20 30 FDEDMO CN(CCC#N)S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000330905023 676709078 /nfs/dbraw/zinc/70/90/78/676709078.db2.gz USWOTJQUPQYZMF-ZFWWWQNUSA-N 1 1 356.517 1.811 20 30 FDEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H](CS(C)(=O)=O)C1 ZINC000331098750 676716669 /nfs/dbraw/zinc/71/66/69/676716669.db2.gz DTFSJAKBQKLBRP-XUWVNRHRSA-N 1 1 359.536 1.633 20 30 FDEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H]1C ZINC000331301332 676726313 /nfs/dbraw/zinc/72/63/13/676726313.db2.gz WPELSCMJOVZINL-JSGCOSHPSA-N 1 1 354.476 1.684 20 30 FDEDMO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000331965365 676735727 /nfs/dbraw/zinc/73/57/27/676735727.db2.gz IYZMJLLGBLZYGJ-PBHICJAKSA-N 1 1 363.483 1.317 20 30 FDEDMO N#CCCCS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000332661027 676743594 /nfs/dbraw/zinc/74/35/94/676743594.db2.gz WXXQCPDSTLZLEK-INIZCTEOSA-N 1 1 361.467 1.684 20 30 FDEDMO N#CCCCS(=O)(=O)c1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000332661027 676743598 /nfs/dbraw/zinc/74/35/98/676743598.db2.gz WXXQCPDSTLZLEK-INIZCTEOSA-N 1 1 361.467 1.684 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CC ZINC000363106233 676935358 /nfs/dbraw/zinc/93/53/58/676935358.db2.gz ZVQVQDQCMJGPSM-RRFJBIMHSA-N 1 1 350.463 1.252 20 30 FDEDMO N#Cc1c(F)ccc(CN[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1Cl ZINC000365495220 677359655 /nfs/dbraw/zinc/35/96/55/677359655.db2.gz XPEODVSOXVGGML-OAHLLOKOSA-N 1 1 366.868 1.847 20 30 FDEDMO N#Cc1c(F)ccc(CN[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1Cl ZINC000365495220 677359656 /nfs/dbraw/zinc/35/96/56/677359656.db2.gz XPEODVSOXVGGML-OAHLLOKOSA-N 1 1 366.868 1.847 20 30 FDEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000368594486 677500644 /nfs/dbraw/zinc/50/06/44/677500644.db2.gz WQXVZOZIMMQVHY-WMLDXEAASA-N 1 1 363.483 1.317 20 30 FDEDMO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000370297852 677562450 /nfs/dbraw/zinc/56/24/50/677562450.db2.gz MUBSTWHXNVTCPG-SJLPKXTDSA-N 1 1 364.515 1.619 20 30 FDEDMO C#CCSCCNC(=O)N(C)C1CC[NH+](Cc2cc(C)no2)CC1 ZINC000370934885 677631227 /nfs/dbraw/zinc/63/12/27/677631227.db2.gz LMFOMDIYRCSAGP-UHFFFAOYSA-N 1 1 350.488 1.955 20 30 FDEDMO C=C(C)CN(CC)C(=O)[C@H](C)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000371320971 677661274 /nfs/dbraw/zinc/66/12/74/677661274.db2.gz LOGCELBICPWJTD-RDJZCZTQSA-N 1 1 350.507 1.214 20 30 FDEDMO CN1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C[C@H]1C#N ZINC000372140523 677849721 /nfs/dbraw/zinc/84/97/21/677849721.db2.gz PAPILAFDCSPXKG-UXLLHSPISA-N 1 1 361.515 1.980 20 30 FDEDMO COCCC[N@H+]1CCCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000377333160 678520526 /nfs/dbraw/zinc/52/05/26/678520526.db2.gz BPXMQOOBVFRZMF-UHFFFAOYSA-N 1 1 351.472 1.432 20 30 FDEDMO C[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000408027490 678824539 /nfs/dbraw/zinc/82/45/39/678824539.db2.gz LNFSWIHWMNXPME-YJBOKZPZSA-N 1 1 362.499 1.205 20 30 FDEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NCC[N@H+](CC)CCC(F)(F)F ZINC000410388727 678892168 /nfs/dbraw/zinc/89/21/68/678892168.db2.gz RNANAOSGGRBUDP-GFCCVEGCSA-N 1 1 358.430 1.577 20 30 FDEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NCC[N@@H+](CC)CCC(F)(F)F ZINC000410388727 678892173 /nfs/dbraw/zinc/89/21/73/678892173.db2.gz RNANAOSGGRBUDP-GFCCVEGCSA-N 1 1 358.430 1.577 20 30 FDEDMO COC(=O)[C@H]1CN(c2ncc(Br)cc2C#N)CC[N@@H+](C)C1 ZINC000413503406 679275058 /nfs/dbraw/zinc/27/50/58/679275058.db2.gz RZTXQXCVMYXUDB-LLVKDONJSA-N 1 1 353.220 1.257 20 30 FDEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CSCc2nc(C#N)cs2)C1 ZINC000419655319 680308034 /nfs/dbraw/zinc/30/80/34/680308034.db2.gz VWIUHUYFIQCLNO-AWEZNQCLSA-N 1 1 368.528 1.721 20 30 FDEDMO C[N@@H+](CCNC(=O)C(=O)Nc1cccc(C#N)c1Br)C1CC1 ZINC000419691939 680323873 /nfs/dbraw/zinc/32/38/73/680323873.db2.gz GONYMAJMBSMPIO-UHFFFAOYSA-N 1 1 365.231 1.470 20 30 FDEDMO C=CCN(Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000420944402 680576584 /nfs/dbraw/zinc/57/65/84/680576584.db2.gz YHFDMVODAGDOBE-IBGZPJMESA-N 1 1 364.511 1.694 20 30 FDEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000437637543 681802884 /nfs/dbraw/zinc/80/28/84/681802884.db2.gz QKOFKHQQJKTNBA-QZTJIDSGSA-N 1 1 352.523 1.685 20 30 FDEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000440388774 681994758 /nfs/dbraw/zinc/99/47/58/681994758.db2.gz WFZLYKIYERTCJQ-DLBZAZTESA-N 1 1 368.499 1.168 20 30 FDEDMO CS[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000451320369 682860765 /nfs/dbraw/zinc/86/07/65/682860765.db2.gz AAXCKNAMIVMCQS-CABCVRRESA-N 1 1 364.540 1.894 20 30 FDEDMO COC[C@]1(CO)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000451929621 682970935 /nfs/dbraw/zinc/97/09/35/682970935.db2.gz MKHYQWBWBMQJDS-YVEFUNNKSA-N 1 1 351.834 1.869 20 30 FDEDMO COC[C@]1(CO)CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000451929621 682970937 /nfs/dbraw/zinc/97/09/37/682970937.db2.gz MKHYQWBWBMQJDS-YVEFUNNKSA-N 1 1 351.834 1.869 20 30 FDEDMO C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2CS(C)(=O)=O)CC1 ZINC000454466195 683319819 /nfs/dbraw/zinc/31/98/19/683319819.db2.gz PMOQBMGVBFXKSV-MRXNPFEDSA-N 1 1 357.520 1.636 20 30 FDEDMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000455115251 683398215 /nfs/dbraw/zinc/39/82/15/683398215.db2.gz WSHGOJDSMUEWJV-CYBMUJFWSA-N 1 1 358.833 2.471 20 30 FDEDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCCSCc1ccccc1C#N ZINC000457507876 683759074 /nfs/dbraw/zinc/75/90/74/683759074.db2.gz IKZHGVRJVBNENP-OAHLLOKOSA-N 1 1 362.499 1.499 20 30 FDEDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCCSCc1ccccc1C#N ZINC000457507876 683759078 /nfs/dbraw/zinc/75/90/78/683759078.db2.gz IKZHGVRJVBNENP-OAHLLOKOSA-N 1 1 362.499 1.499 20 30 FDEDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000480686204 686208536 /nfs/dbraw/zinc/20/85/36/686208536.db2.gz CTDFLUCRYFTIJL-CYBMUJFWSA-N 1 1 369.462 1.304 20 30 FDEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000480686204 686208540 /nfs/dbraw/zinc/20/85/40/686208540.db2.gz CTDFLUCRYFTIJL-CYBMUJFWSA-N 1 1 369.462 1.304 20 30 FDEDMO CC(C)[N@@H+](C)CCNC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000481046279 686285795 /nfs/dbraw/zinc/28/57/95/686285795.db2.gz ZMYSSWIMIXNRTQ-ZDUSSCGKSA-N 1 1 352.460 1.834 20 30 FDEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](CC2CCC2)[C@@H](C)CO)CC1 ZINC000483140699 686470988 /nfs/dbraw/zinc/47/09/88/686470988.db2.gz FYFFEEAQVPGMKJ-WMZOPIPTSA-N 1 1 350.507 1.162 20 30 FDEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000485254451 686701460 /nfs/dbraw/zinc/70/14/60/686701460.db2.gz LDZPXYPRVKAWJK-CXAGYDPISA-N 1 1 366.487 1.381 20 30 FDEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000485254451 686701464 /nfs/dbraw/zinc/70/14/64/686701464.db2.gz LDZPXYPRVKAWJK-CXAGYDPISA-N 1 1 366.487 1.381 20 30 FDEDMO C=CCCCS(=O)(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000489287487 687088748 /nfs/dbraw/zinc/08/87/48/687088748.db2.gz VAJKPDYGUSMAMZ-UHFFFAOYSA-N 1 1 357.520 1.159 20 30 FDEDMO Cc1ncc(S(=O)(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc1C#N ZINC000489807937 687115378 /nfs/dbraw/zinc/11/53/78/687115378.db2.gz STTMPKMLKHBYQX-ZDUSSCGKSA-N 1 1 364.471 1.136 20 30 FDEDMO Cc1ncc(S(=O)(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1C#N ZINC000489807937 687115380 /nfs/dbraw/zinc/11/53/80/687115380.db2.gz STTMPKMLKHBYQX-ZDUSSCGKSA-N 1 1 364.471 1.136 20 30 FDEDMO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000494811825 687584033 /nfs/dbraw/zinc/58/40/33/687584033.db2.gz LUQIZNOQLUIUSI-QMTHXVAHSA-N 1 1 359.455 1.492 20 30 FDEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C 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ZINC000378434299 794125103 /nfs/dbraw/zinc/12/51/03/794125103.db2.gz KIKWAVUYHXMIFE-MJGOQNOKSA-N 1 1 370.501 1.348 20 30 FDEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H](c3ccncn3)C2)CC1 ZINC000378434299 794125115 /nfs/dbraw/zinc/12/51/15/794125115.db2.gz KIKWAVUYHXMIFE-MJGOQNOKSA-N 1 1 370.501 1.348 20 30 FDEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC#C[C@@H]2CCCCO2)CC1 ZINC000893238100 794142580 /nfs/dbraw/zinc/14/25/80/794142580.db2.gz LKABBGZXSVICRB-MSOLQXFVSA-N 1 1 350.507 1.132 20 30 FDEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(NC(C)=O)c(F)c3)[C@H]2C1 ZINC001083292942 794192955 /nfs/dbraw/zinc/19/29/55/794192955.db2.gz FHYVILVENVDMOI-ZWKOTPCHSA-N 1 1 361.417 1.885 20 30 FDEDMO Cc1ccc(C#N)c(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001058810117 806321055 /nfs/dbraw/zinc/32/10/55/806321055.db2.gz HQZMHRIMVLKQRH-NRSFXHEJSA-N 1 1 353.470 1.782 20 30 FDEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(=O)[nH]c4c3CCCC4)[C@H]2C1 ZINC001083293412 794377520 /nfs/dbraw/zinc/37/75/20/794377520.db2.gz CFWBYHCMTRSNGU-ZWKOTPCHSA-N 1 1 355.438 1.215 20 30 FDEDMO C=CCOCCNC(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000378597610 794394451 /nfs/dbraw/zinc/39/44/51/794394451.db2.gz SBOTTYDWNOCURM-MRXNPFEDSA-N 1 1 363.458 1.780 20 30 FDEDMO C=CCOCCNC(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000378597610 794394467 /nfs/dbraw/zinc/39/44/67/794394467.db2.gz SBOTTYDWNOCURM-MRXNPFEDSA-N 1 1 363.458 1.780 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000974182080 794648969 /nfs/dbraw/zinc/64/89/69/794648969.db2.gz RVYFXVWDPPAIQV-ADHGMGHFSA-N 1 1 363.502 1.605 20 30 FDEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000511586528 794675153 /nfs/dbraw/zinc/67/51/53/794675153.db2.gz RPHATUUQCNZUDN-IAGOWNOFSA-N 1 1 362.474 1.797 20 30 FDEDMO CC(C)C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001105001403 794841217 /nfs/dbraw/zinc/84/12/17/794841217.db2.gz HUXOCPFRUHVZRI-IIAWOOMASA-N 1 1 360.462 1.010 20 30 FDEDMO CC(C)C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001105001403 794841224 /nfs/dbraw/zinc/84/12/24/794841224.db2.gz HUXOCPFRUHVZRI-IIAWOOMASA-N 1 1 360.462 1.010 20 30 FDEDMO Cc1cc(NC[C@H](CC(C)C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C#N)cn1 ZINC001105003196 794849748 /nfs/dbraw/zinc/84/97/48/794849748.db2.gz OXYKNFKPWGNBJY-BPQIPLTHSA-N 1 1 357.502 1.967 20 30 FDEDMO C=C(C)Cn1c(-c2ncccn2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000417506442 795255521 /nfs/dbraw/zinc/25/55/21/795255521.db2.gz PSMRRWQNPLRTOW-MRXNPFEDSA-N 1 1 369.473 1.470 20 30 FDEDMO C=CC[N@H+](CCN1CCO[C@@H](C)C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000500099759 795489917 /nfs/dbraw/zinc/48/99/17/795489917.db2.gz QUWYAWCYTCCMSA-DLBZAZTESA-N 1 1 356.474 1.932 20 30 FDEDMO C=CCN(C(=O)N[C@@H](C)C(=O)N(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364281211 795590298 /nfs/dbraw/zinc/59/02/98/795590298.db2.gz UAAWQCSVEXYSHO-FUHWJXTLSA-N 1 1 358.486 1.935 20 30 FDEDMO C#CC1(O)CCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000931146290 795660931 /nfs/dbraw/zinc/66/09/31/795660931.db2.gz CFSVBNOORASQSG-GOSISDBHSA-N 1 1 369.509 1.616 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2sccc2F)C[C@H]1C ZINC001026618423 795681375 /nfs/dbraw/zinc/68/13/75/795681375.db2.gz YEJNOSLVLFGKRP-YUELXQCFSA-N 1 1 363.458 1.562 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2sccc2F)C[C@H]1C ZINC001026618423 795681377 /nfs/dbraw/zinc/68/13/77/795681377.db2.gz YEJNOSLVLFGKRP-YUELXQCFSA-N 1 1 363.458 1.562 20 30 FDEDMO CC(C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1)=C1CCC1 ZINC001112097423 795887046 /nfs/dbraw/zinc/88/70/46/795887046.db2.gz DPBOKQHQUGERHM-CHWSQXEVSA-N 1 1 358.364 1.105 20 30 FDEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC000974482625 796048577 /nfs/dbraw/zinc/04/85/77/796048577.db2.gz VRJZUPMBGFPBBE-CEXWTWQISA-N 1 1 357.498 1.580 20 30 FDEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759898316 796080753 /nfs/dbraw/zinc/08/07/53/796080753.db2.gz KRSRNWLEXCNZJF-MGPUTAFESA-N 1 1 369.469 1.574 20 30 FDEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759898316 796080759 /nfs/dbraw/zinc/08/07/59/796080759.db2.gz KRSRNWLEXCNZJF-MGPUTAFESA-N 1 1 369.469 1.574 20 30 FDEDMO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001087428302 806752073 /nfs/dbraw/zinc/75/20/73/806752073.db2.gz XOHFQCMYSIAVDB-NXWXRZEISA-N 1 1 353.466 1.509 20 30 FDEDMO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001087428302 806752076 /nfs/dbraw/zinc/75/20/76/806752076.db2.gz XOHFQCMYSIAVDB-NXWXRZEISA-N 1 1 353.466 1.509 20 30 FDEDMO C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C[N@@H+]4CC[C@H](C)C4)C[C@H]32)cn1 ZINC000974670865 800052632 /nfs/dbraw/zinc/05/26/32/800052632.db2.gz OVSCYIFODMMAPL-KVSKMBFKSA-N 1 1 366.465 1.078 20 30 FDEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000974684249 800082908 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/nfs/dbraw/zinc/43/39/30/800433930.db2.gz DLKCZVIIQSIAIB-BRWVUGGUSA-N 1 1 363.502 1.367 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C(C)(C)C1 ZINC000975030875 800785542 /nfs/dbraw/zinc/78/55/42/800785542.db2.gz MWGVXVWSSAZEFV-GVDBMIGSSA-N 1 1 363.502 1.559 20 30 FDEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000660866134 801874580 /nfs/dbraw/zinc/87/45/80/801874580.db2.gz WOEBGSBHLCPHRE-QYZOEREBSA-N 1 1 364.534 1.827 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)CC(C)(C)C)[C@H]2C1 ZINC000975775093 802318264 /nfs/dbraw/zinc/31/82/64/802318264.db2.gz JVLQLMKIUFMXDY-BZSNNMDCSA-N 1 1 359.514 1.970 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)CC(C)(C)C)[C@H]2C1 ZINC000975775093 802318269 /nfs/dbraw/zinc/31/82/69/802318269.db2.gz JVLQLMKIUFMXDY-BZSNNMDCSA-N 1 1 359.514 1.970 20 30 FDEDMO C=CC(C)(C)C(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000975877420 802614342 /nfs/dbraw/zinc/61/43/42/802614342.db2.gz IXWZQYUQGGLWLL-BZUAXINKSA-N 1 1 351.491 1.415 20 30 FDEDMO C=CC(C)(C)C(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000975877420 802614349 /nfs/dbraw/zinc/61/43/49/802614349.db2.gz IXWZQYUQGGLWLL-BZUAXINKSA-N 1 1 351.491 1.415 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000661272742 803173114 /nfs/dbraw/zinc/17/31/14/803173114.db2.gz XMNVLWMUQLODKV-OTWHNJEPSA-N 1 1 358.486 1.445 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000661272742 803173117 /nfs/dbraw/zinc/17/31/17/803173117.db2.gz XMNVLWMUQLODKV-OTWHNJEPSA-N 1 1 358.486 1.445 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000661338377 803296385 /nfs/dbraw/zinc/29/63/85/803296385.db2.gz HWRGAGAMFNUFFF-UFYCRDLUSA-N 1 1 372.513 1.693 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000661338377 803296390 /nfs/dbraw/zinc/29/63/90/803296390.db2.gz HWRGAGAMFNUFFF-UFYCRDLUSA-N 1 1 372.513 1.693 20 30 FDEDMO C=C1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000976454162 803408353 /nfs/dbraw/zinc/40/83/53/803408353.db2.gz OVHWWHGODCPEGE-KURKYZTESA-N 1 1 363.502 1.607 20 30 FDEDMO C=C1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000976454162 803408356 /nfs/dbraw/zinc/40/83/56/803408356.db2.gz OVHWWHGODCPEGE-KURKYZTESA-N 1 1 363.502 1.607 20 30 FDEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000976538743 803489745 /nfs/dbraw/zinc/48/97/45/803489745.db2.gz HTZCGGDZBBLAQH-NUEKZKHPSA-N 1 1 357.458 1.385 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C ZINC000976539290 803491030 /nfs/dbraw/zinc/49/10/30/803491030.db2.gz NHGKSBWRLXJFSM-BVIKNXMNSA-N 1 1 371.485 1.774 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]21 ZINC000976593108 803584981 /nfs/dbraw/zinc/58/49/81/803584981.db2.gz 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CN(CCCN(C)S(=O)(=O)Cc1cccc(C#N)c1)CC[NH+](C)C ZINC000288249588 675982640 /nfs/dbraw/zinc/98/26/40/675982640.db2.gz BLOSCVGHBQYSNF-UHFFFAOYSA-N 1 1 352.504 1.203 20 30 FDEDMO C[NH+]=C(NCCN1CCCC1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000179211266 672156159 /nfs/dbraw/zinc/15/61/59/672156159.db2.gz MBQQIBSMFSODOQ-CQSZACIVSA-N 1 1 350.898 1.575 20 30 FDEDMO COCC[NH+]1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000193346045 672367188 /nfs/dbraw/zinc/36/71/88/672367188.db2.gz AXEHRKGPIZRILS-ZDUSSCGKSA-N 1 1 362.499 1.699 20 30 FDEDMO C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000245438297 672442690 /nfs/dbraw/zinc/44/26/90/672442690.db2.gz RZQBKAFCYKNLHC-SZMVWBNQSA-N 1 1 366.483 1.586 20 30 FDEDMO C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000245438297 672442692 /nfs/dbraw/zinc/44/26/92/672442692.db2.gz RZQBKAFCYKNLHC-SZMVWBNQSA-N 1 1 366.483 1.586 20 30 FDEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000288619445 676030188 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C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](OC(C)C)c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129495891 938443772 /nfs/dbraw/zinc/44/37/72/938443772.db2.gz AHUMLFJWBAAQEI-QYZOEREBSA-N 1 1 369.469 1.972 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](OC(C)C)c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129495891 938443774 /nfs/dbraw/zinc/44/37/74/938443774.db2.gz AHUMLFJWBAAQEI-QYZOEREBSA-N 1 1 369.469 1.972 20 30 FDEDMO C=CC[N@H+]1C[C@@H](NC(=O)CC(F)(F)C(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129496291 938444000 /nfs/dbraw/zinc/44/40/00/938444000.db2.gz JOVQEJGVXVMXNK-ZJUUUORDSA-N 1 1 353.295 1.393 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CC(F)(F)C(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129496291 938444001 /nfs/dbraw/zinc/44/40/01/938444001.db2.gz JOVQEJGVXVMXNK-ZJUUUORDSA-N 1 1 353.295 1.393 20 30 FDEDMO C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nccnc2C(N)=O)C1 ZINC001086623082 938447798 /nfs/dbraw/zinc/44/77/98/938447798.db2.gz JJNDCKGPTJQWRH-JKSUJKDBSA-N 1 1 365.437 1.349 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](C)OCC(C)C)C[C@@H]1n1ccnn1 ZINC001129638326 938475890 /nfs/dbraw/zinc/47/58/90/938475890.db2.gz SVVPZWLKXMUIPY-ZNMIVQPWSA-N 1 1 355.870 1.433 20 30 FDEDMO C=CCCC(=O)N1C[C@@H]([NH2+]Cc2c(C)noc2CC)[C@@H](n2ccnn2)C1 ZINC001129670961 938479363 /nfs/dbraw/zinc/47/93/63/938479363.db2.gz BZVLELLWDRVDKU-CVEARBPZSA-N 1 1 358.446 1.645 20 30 FDEDMO C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001086624473 938486868 /nfs/dbraw/zinc/48/68/68/938486868.db2.gz GWGJZVQHAVSOSE-XUVXKRRUSA-N 1 1 371.481 1.394 20 30 FDEDMO C#CCCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cn2)[C@@H](n2ccnn2)C1 ZINC001129756850 938501619 /nfs/dbraw/zinc/50/16/19/938501619.db2.gz KOLSZSXQUWWVGS-MSOLQXFVSA-N 1 1 370.432 1.548 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000804646688 938502846 /nfs/dbraw/zinc/50/28/46/938502846.db2.gz MJQQZPXSHJRJPL-INIZCTEOSA-N 1 1 362.861 1.487 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000804646688 938502848 /nfs/dbraw/zinc/50/28/48/938502848.db2.gz MJQQZPXSHJRJPL-INIZCTEOSA-N 1 1 362.861 1.487 20 30 FDEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001086624913 938516029 /nfs/dbraw/zinc/51/60/29/938516029.db2.gz AQANKEQJCUZRSO-ZCNNSNEGSA-N 1 1 355.482 1.315 20 30 FDEDMO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001086624913 938516030 /nfs/dbraw/zinc/51/60/30/938516030.db2.gz AQANKEQJCUZRSO-ZCNNSNEGSA-N 1 1 355.482 1.315 20 30 FDEDMO C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2cc(C)ns2)[C@@H](n2ccnn2)C1 ZINC001129834384 938533736 /nfs/dbraw/zinc/53/37/36/938533736.db2.gz WDNGSTMJEZQWMP-CVEARBPZSA-N 1 1 358.471 1.388 20 30 FDEDMO C=C(C)CCC(=O)N1C[C@@H]([NH2+]Cc2cncc(F)c2)[C@@H](n2ccnn2)C1 ZINC001129884041 938538584 /nfs/dbraw/zinc/53/85/84/938538584.db2.gz HZUPARPKHAWMQB-SJORKVTESA-N 1 1 358.421 1.710 20 30 FDEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCC)cc1 ZINC000804777437 938565816 /nfs/dbraw/zinc/56/58/16/938565816.db2.gz FJAKUGDWGAPHOB-INIZCTEOSA-N 1 1 363.483 1.202 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3n[nH]cc32)C[C@@H]1n1ccnn1 ZINC001129954655 938576784 /nfs/dbraw/zinc/57/67/84/938576784.db2.gz YLQABBSJTAIXAP-SJORKVTESA-N 1 1 351.414 1.386 20 30 FDEDMO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001086626608 938577621 /nfs/dbraw/zinc/57/76/21/938577621.db2.gz WJPJNTIYMHZIEX-PKOBYXMFSA-N 1 1 362.433 1.402 20 30 FDEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001086626608 938577623 /nfs/dbraw/zinc/57/76/23/938577623.db2.gz WJPJNTIYMHZIEX-PKOBYXMFSA-N 1 1 362.433 1.402 20 30 FDEDMO C=C(C)C[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001129976631 938601018 /nfs/dbraw/zinc/60/10/18/938601018.db2.gz TTYOVPKMMUAFLP-IMJJTQAJSA-N 1 1 360.487 1.879 20 30 FDEDMO C#CCCCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000805053474 938654035 /nfs/dbraw/zinc/65/40/35/938654035.db2.gz RFZZPGIMMYKGIP-ROUUACIJSA-N 1 1 350.484 1.202 20 30 FDEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(F)F)n1 ZINC001130175498 938723714 /nfs/dbraw/zinc/72/37/14/938723714.db2.gz MNPJADWPKUOWKS-SRVKXCTJSA-N 1 1 357.405 1.503 20 30 FDEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(F)F)n[nH]1 ZINC001130175498 938723716 /nfs/dbraw/zinc/72/37/16/938723716.db2.gz MNPJADWPKUOWKS-SRVKXCTJSA-N 1 1 357.405 1.503 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C=Cc2ccco2)n1 ZINC001130177497 938724895 /nfs/dbraw/zinc/72/48/95/938724895.db2.gz CYGBGVHEXKLVJK-WHJWBVKISA-N 1 1 357.414 1.375 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=Cc2ccco2)n[nH]1 ZINC001130177497 938724898 /nfs/dbraw/zinc/72/48/98/938724898.db2.gz CYGBGVHEXKLVJK-WHJWBVKISA-N 1 1 357.414 1.375 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccoc2C)n1 ZINC001130187801 938734051 /nfs/dbraw/zinc/73/40/51/938734051.db2.gz JYHHBGRTGCCKEG-GJZGRUSLSA-N 1 1 359.430 1.674 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccoc2C)n[nH]1 ZINC001130187801 938734054 /nfs/dbraw/zinc/73/40/54/938734054.db2.gz JYHHBGRTGCCKEG-GJZGRUSLSA-N 1 1 359.430 1.674 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](CC)OCC)n1 ZINC001130191008 938736559 /nfs/dbraw/zinc/73/65/59/938736559.db2.gz YOEUTTQXSVYZRF-ZNMIVQPWSA-N 1 1 365.478 1.274 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](CC)OCC)n[nH]1 ZINC001130191008 938736561 /nfs/dbraw/zinc/73/65/61/938736561.db2.gz YOEUTTQXSVYZRF-ZNMIVQPWSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCC[C@@H](C)O)n[nH]1 ZINC001130192936 938737344 /nfs/dbraw/zinc/73/73/44/938737344.db2.gz BNTMKHAYQPPVKB-ILXRZTDVSA-N 1 1 365.478 1.010 20 30 FDEDMO C=CCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCC[C@@H](C)O)n1 ZINC001130192936 938737345 /nfs/dbraw/zinc/73/73/45/938737345.db2.gz BNTMKHAYQPPVKB-ILXRZTDVSA-N 1 1 365.478 1.010 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cscc2C)[nH]1 ZINC001130195888 938739025 /nfs/dbraw/zinc/73/90/25/938739025.db2.gz HKBZUPIBJPSGQN-JSGCOSHPSA-N 1 1 359.455 1.200 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cscc2C)n[nH]1 ZINC001130195888 938739026 /nfs/dbraw/zinc/73/90/26/938739026.db2.gz HKBZUPIBJPSGQN-JSGCOSHPSA-N 1 1 359.455 1.200 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnccc2C)n1 ZINC001130196064 938739409 /nfs/dbraw/zinc/73/94/09/938739409.db2.gz PWLPDCHPWDWFBC-HOCLYGCPSA-N 1 1 370.457 1.476 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnccc2C)n[nH]1 ZINC001130196064 938739411 /nfs/dbraw/zinc/73/94/11/938739411.db2.gz PWLPDCHPWDWFBC-HOCLYGCPSA-N 1 1 370.457 1.476 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccsc2)n1 ZINC001130182799 938741558 /nfs/dbraw/zinc/74/15/58/938741558.db2.gz CGMJOGODPXOJOF-KBPBESRZSA-N 1 1 361.471 1.834 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccsc2)n[nH]1 ZINC001130182799 938741560 /nfs/dbraw/zinc/74/15/60/938741560.db2.gz CGMJOGODPXOJOF-KBPBESRZSA-N 1 1 361.471 1.834 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCSC)n1 ZINC001130183250 938742659 /nfs/dbraw/zinc/74/26/59/938742659.db2.gz YKFFADCNOBRGHQ-KBPBESRZSA-N 1 1 367.519 1.602 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCSC)n[nH]1 ZINC001130183250 938742661 /nfs/dbraw/zinc/74/26/61/938742661.db2.gz YKFFADCNOBRGHQ-KBPBESRZSA-N 1 1 367.519 1.602 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc[nH]c2CC)[nH]1 ZINC001130207937 938747271 /nfs/dbraw/zinc/74/72/71/938747271.db2.gz XKWVYWMGEWBZQC-HOCLYGCPSA-N 1 1 370.457 1.111 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)[nH]1 ZINC001130213303 938750376 /nfs/dbraw/zinc/75/03/76/938750376.db2.gz ZFIGHJFPVZYJJJ-JONQDZQNSA-N 1 1 373.501 1.589 20 30 FDEDMO C=C(C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+][C@@H](C)COC)n[nH]1 ZINC001130216315 938752590 /nfs/dbraw/zinc/75/25/90/938752590.db2.gz SVAARRLGONILMN-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=C(C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+][C@@H](C)COC)n1 ZINC001130216315 938752593 /nfs/dbraw/zinc/75/25/93/938752593.db2.gz SVAARRLGONILMN-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(F)c2C)[nH]1 ZINC001130216493 938752997 /nfs/dbraw/zinc/75/29/97/938752997.db2.gz YSZKFSWGHVADGQ-HOCLYGCPSA-N 1 1 371.416 1.278 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccc(F)c2C)n[nH]1 ZINC001130216493 938752999 /nfs/dbraw/zinc/75/29/99/938752999.db2.gz YSZKFSWGHVADGQ-HOCLYGCPSA-N 1 1 371.416 1.278 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)/C=C\C(C)(C)C)n1 ZINC001130202782 938755487 /nfs/dbraw/zinc/75/54/87/938755487.db2.gz KPAPYIASUSMZFL-SKJVMOOOSA-N 1 1 359.474 1.509 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=CC(C)(C)C)n[nH]1 ZINC001130202782 938755488 /nfs/dbraw/zinc/75/54/88/938755488.db2.gz KPAPYIASUSMZFL-SKJVMOOOSA-N 1 1 359.474 1.509 20 30 FDEDMO 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ZINC001092525164 955327672 /nfs/dbraw/zinc/32/76/72/955327672.db2.gz KAAOHHCLDVISKM-ZYHUDNBSSA-N 1 1 354.248 1.994 20 30 FDEDMO C=C(Br)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C)ncn2)[C@H](C)C1 ZINC001092547224 955384611 /nfs/dbraw/zinc/38/46/11/955384611.db2.gz OEARBVOJYCBNFA-ZWNOBZJWSA-N 1 1 353.264 1.991 20 30 FDEDMO C=C(Br)C[N@H+]1C[C@@H](CNC(=O)c2cc(C)ncn2)[C@H](C)C1 ZINC001092547224 955384625 /nfs/dbraw/zinc/38/46/25/955384625.db2.gz OEARBVOJYCBNFA-ZWNOBZJWSA-N 1 1 353.264 1.991 20 30 FDEDMO CC(C)Cn1ncnc1C[N@H+]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1 ZINC001092551113 955400945 /nfs/dbraw/zinc/40/09/45/955400945.db2.gz JZFANUCVWJZXQC-HUUCEWRRSA-N 1 1 369.473 1.632 20 30 FDEDMO CC(C)Cn1ncnc1C[N@@H+]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1 ZINC001092551113 955400947 /nfs/dbraw/zinc/40/09/47/955400947.db2.gz JZFANUCVWJZXQC-HUUCEWRRSA-N 1 1 369.473 1.632 20 30 FDEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1cncnc1 ZINC001092558666 955444509 /nfs/dbraw/zinc/44/45/09/955444509.db2.gz QQGVBBVNRZKPFL-CRAIPNDOSA-N 1 1 352.413 1.965 20 30 FDEDMO Cc1c[nH+]cn1CC(=O)NCC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C ZINC001092558520 955444570 /nfs/dbraw/zinc/44/45/70/955444570.db2.gz UUAIVIHQGPJHQW-UKRRQHHQSA-N 1 1 353.430 1.132 20 30 FDEDMO CC(=O)N1CC(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001092567936 955480246 /nfs/dbraw/zinc/48/02/46/955480246.db2.gz AXHXSGYXOWEKTA-RDTXWAMCSA-N 1 1 354.454 1.221 20 30 FDEDMO CC(C)c1nnc(C[N@H+]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)n1C ZINC001092532225 955497453 /nfs/dbraw/zinc/49/74/53/955497453.db2.gz RIVGWXZEEGSHFN-UKRRQHHQSA-N 1 1 369.473 1.636 20 30 FDEDMO CC(C)c1nnc(C[N@@H+]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)n1C ZINC001092532225 955497461 /nfs/dbraw/zinc/49/74/61/955497461.db2.gz RIVGWXZEEGSHFN-UKRRQHHQSA-N 1 1 369.473 1.636 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1CCNC(=O)C1 ZINC001092536554 955516821 /nfs/dbraw/zinc/51/68/21/955516821.db2.gz IBOVKSMCFSDMRK-FHLIZLRMSA-N 1 1 354.454 1.269 20 30 FDEDMO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](CNC(=O)c2ncc[nH]2)[C@H](C)C1 ZINC001092597689 955600896 /nfs/dbraw/zinc/60/08/96/955600896.db2.gz PRXGPXHHZXGKAS-CZUORRHYSA-N 1 1 353.426 1.788 20 30 FDEDMO Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001092598179 955603197 /nfs/dbraw/zinc/60/31/97/955603197.db2.gz PBNILFWKEVKDGH-GFOCRRMGSA-N 1 1 370.501 1.576 20 30 FDEDMO C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001092598956 955608266 /nfs/dbraw/zinc/60/82/66/955608266.db2.gz HNXSJBLWMLLGEG-BFYDXBDKSA-N 1 1 356.474 1.411 20 30 FDEDMO Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CCNC(=O)C[N@H+]3CCC[C@H]3C)C2)n1 ZINC001092583990 955730509 /nfs/dbraw/zinc/73/05/09/955730509.db2.gz BQOWAUJJUCBHMB-DJIMGWMZSA-N 1 1 370.501 1.720 20 30 FDEDMO CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)[C@H](C)C1 ZINC001092615306 955823357 /nfs/dbraw/zinc/82/33/57/955823357.db2.gz DHFGNYRYRUTUQT-NCXUSEDFSA-N 1 1 354.498 1.861 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cncc(OC)n2)C[C@H]1C ZINC001092617318 955829893 /nfs/dbraw/zinc/82/98/93/955829893.db2.gz KFDRZRWLTXQMBI-AHCXZYCDSA-N 1 1 374.485 1.651 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ncc(C)cn2)C[C@H]1C ZINC001092617459 955832383 /nfs/dbraw/zinc/83/23/83/955832383.db2.gz QSMDXRKXPAUHIY-TVFCKZIOSA-N 1 1 358.486 1.950 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ncc(C)cn2)C[C@H]1C ZINC001092617459 955832395 /nfs/dbraw/zinc/83/23/95/955832395.db2.gz QSMDXRKXPAUHIY-TVFCKZIOSA-N 1 1 358.486 1.950 20 30 FDEDMO C=C(Br)C[N@@H+]1C[C@@H](CNC(=O)c2cn[nH]c(=O)c2)[C@H](C)C1 ZINC001092702749 956101968 /nfs/dbraw/zinc/10/19/68/956101968.db2.gz PEHRNANMQKJNFX-BXKDBHETSA-N 1 1 355.236 1.389 20 30 FDEDMO C=C(Br)C[N@H+]1C[C@@H](CNC(=O)c2cn[nH]c(=O)c2)[C@H](C)C1 ZINC001092702749 956101974 /nfs/dbraw/zinc/10/19/74/956101974.db2.gz PEHRNANMQKJNFX-BXKDBHETSA-N 1 1 355.236 1.389 20 30 FDEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001092688816 956192628 /nfs/dbraw/zinc/19/26/28/956192628.db2.gz BAZYRNIDGAGCDO-SUMDDJOVSA-N 1 1 370.497 1.834 20 30 FDEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001092688816 956192631 /nfs/dbraw/zinc/19/26/31/956192631.db2.gz BAZYRNIDGAGCDO-SUMDDJOVSA-N 1 1 370.497 1.834 20 30 FDEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001092690021 956199501 /nfs/dbraw/zinc/19/95/01/956199501.db2.gz WXSCALXXKZSIQO-UIFIKXQLSA-N 1 1 364.493 1.840 20 30 FDEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3cc(C)cc(C)n3)[C@H](C)C2)C1=O ZINC001092757677 956288605 /nfs/dbraw/zinc/28/86/05/956288605.db2.gz FSAQQGWGROENMB-SZVBFZGTSA-N 1 1 370.497 1.783 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001092759323 956294419 /nfs/dbraw/zinc/29/44/19/956294419.db2.gz SOJXOCAVEJAUET-ZTFGCOKTSA-N 1 1 354.454 1.269 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001092760898 956299875 /nfs/dbraw/zinc/29/98/75/956299875.db2.gz SSEDVODHVGCNFD-MGPQQGTHSA-N 1 1 360.483 1.330 20 30 FDEDMO C=C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)c1ccccc1 ZINC001110136408 956370537 /nfs/dbraw/zinc/37/05/37/956370537.db2.gz ATDYLQWGMAYXBX-YRXWBPOGSA-N 1 1 351.454 1.969 20 30 FDEDMO COc1cnc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2C)nc1 ZINC001092810226 956385847 /nfs/dbraw/zinc/38/58/47/956385847.db2.gz NCZGDDWGECBVET-CHWSQXEVSA-N 1 1 371.466 1.916 20 30 FDEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(=O)n(C)c1 ZINC001092768556 956388234 /nfs/dbraw/zinc/38/82/34/956388234.db2.gz MDNCAWVQMILBGA-YLJYHZDGSA-N 1 1 363.461 1.735 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC3CCCC3)c2)C1 ZINC001197280998 972196109 /nfs/dbraw/zinc/19/61/09/972196109.db2.gz YGLUEEWYLGQAQS-QZTJIDSGSA-N 1 1 362.474 1.051 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC3CCCC3)c2)C1 ZINC001197280998 972196111 /nfs/dbraw/zinc/19/61/11/972196111.db2.gz YGLUEEWYLGQAQS-QZTJIDSGSA-N 1 1 362.474 1.051 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001092920878 956790160 /nfs/dbraw/zinc/79/01/60/956790160.db2.gz IJHYIKSKRLKVKI-IUODEOHRSA-N 1 1 369.400 1.279 20 30 FDEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3ccc(Cl)[nH]3)[C@H](C)C2)C1=O ZINC001092941770 956863687 /nfs/dbraw/zinc/86/36/87/956863687.db2.gz UWLHILYMTIWYMU-UMVBOHGHSA-N 1 1 364.877 1.753 20 30 FDEDMO C#CCOc1ccccc1NC(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000773135835 956896721 /nfs/dbraw/zinc/89/67/21/956896721.db2.gz DJSKQTUMIRZIQY-INIZCTEOSA-N 1 1 373.453 1.110 20 30 FDEDMO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)nc1C)C2 ZINC001110138463 956927983 /nfs/dbraw/zinc/92/79/83/956927983.db2.gz SDGAJBFBUYUFRU-MVJTYMMSSA-N 1 1 356.470 1.724 20 30 FDEDMO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)nc1C)C2 ZINC001110138463 956927991 /nfs/dbraw/zinc/92/79/91/956927991.db2.gz SDGAJBFBUYUFRU-MVJTYMMSSA-N 1 1 356.470 1.724 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1C ZINC001092981713 956986060 /nfs/dbraw/zinc/98/60/60/956986060.db2.gz KQVARVGXSWMTRL-XLNTUCKNSA-N 1 1 358.482 1.954 20 30 FDEDMO Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 ZINC001092990713 957063962 /nfs/dbraw/zinc/06/39/62/957063962.db2.gz WPWPDVUTOXEHNQ-ZACQAIPSSA-N 1 1 365.441 1.560 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccc(F)cc2F)C1 ZINC001197420779 972243241 /nfs/dbraw/zinc/24/32/41/972243241.db2.gz ZYNOGSYNINHIRY-IAGOWNOFSA-N 1 1 354.397 1.261 20 30 FDEDMO C=CCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3cnc(C)nc3)C[C@H]2C)nn1 ZINC001093034791 957251735 /nfs/dbraw/zinc/25/17/35/957251735.db2.gz DGZNXTXYKRLHRT-CZUORRHYSA-N 1 1 355.446 1.060 20 30 FDEDMO C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(OC)cc3)C[C@H]2C)nn1 ZINC001093035181 957253016 /nfs/dbraw/zinc/25/30/16/957253016.db2.gz QZRSOJRSMCSSCT-NVXWUHKLSA-N 1 1 369.469 1.971 20 30 FDEDMO C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3nnc(C4CC4)o3)C[C@H]2C)nn1 ZINC001093035205 957254136 /nfs/dbraw/zinc/25/41/36/957254136.db2.gz RVRRLAJVGKHDOM-TZMCWYRMSA-N 1 1 371.445 1.222 20 30 FDEDMO C=CCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3nnc(C4CC4)o3)C[C@H]2C)nn1 ZINC001093035205 957254143 /nfs/dbraw/zinc/25/41/43/957254143.db2.gz RVRRLAJVGKHDOM-TZMCWYRMSA-N 1 1 371.445 1.222 20 30 FDEDMO C#C[C@H](NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCO1 ZINC000773144280 957265243 /nfs/dbraw/zinc/26/52/43/957265243.db2.gz FVRXHGIENSVRRT-RBUKOAKNSA-N 1 1 357.454 1.499 20 30 FDEDMO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)[C@H](C)C1 ZINC001093089150 957512483 /nfs/dbraw/zinc/51/24/83/957512483.db2.gz AHNJAAHRUJRQIK-BPLDGKMQSA-N 1 1 367.881 1.365 20 30 FDEDMO CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C)nn1 ZINC001093089878 957522618 /nfs/dbraw/zinc/52/26/18/957522618.db2.gz IXSHTCWJBRXUPB-SJLPKXTDSA-N 1 1 351.454 1.647 20 30 FDEDMO 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GRUYICSOMUBQNW-CXAGYDPISA-N 1 1 363.421 1.302 20 30 FDEDMO CCc1ccc(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)nc1 ZINC001077704248 907012602 /nfs/dbraw/zinc/01/26/02/907012602.db2.gz JVGWXINLVJGGKM-WOJBJXKFSA-N 1 1 364.449 1.420 20 30 FDEDMO CCc1ccc(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)nc1 ZINC001077704248 907012606 /nfs/dbraw/zinc/01/26/06/907012606.db2.gz JVGWXINLVJGGKM-WOJBJXKFSA-N 1 1 364.449 1.420 20 30 FDEDMO CCc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2OC)nn1C ZINC001082397764 907515643 /nfs/dbraw/zinc/51/56/43/907515643.db2.gz QWPLCMFDODMTAA-RTBURBONSA-N 1 1 367.453 1.483 20 30 FDEDMO CCc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2OC)nn1C ZINC001082397764 907515664 /nfs/dbraw/zinc/51/56/64/907515664.db2.gz QWPLCMFDODMTAA-RTBURBONSA-N 1 1 367.453 1.483 20 30 FDEDMO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CC12CCOCC2 ZINC001082401062 907545158 /nfs/dbraw/zinc/54/51/58/907545158.db2.gz ZEPIIINFMSWWDC-GUDVDZBRSA-N 1 1 369.465 1.690 20 30 FDEDMO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CC12CCOCC2 ZINC001082401062 907545168 /nfs/dbraw/zinc/54/51/68/907545168.db2.gz ZEPIIINFMSWWDC-GUDVDZBRSA-N 1 1 369.465 1.690 20 30 FDEDMO O=S(=O)(c1ccc(N=NC2CC[N@H+]3CCC[C@H]23)nc1)N1CCCCC1 ZINC000765569630 907624638 /nfs/dbraw/zinc/62/46/38/907624638.db2.gz LPXSMVKLWDYFLU-MRXNPFEDSA-N 1 1 363.487 1.892 20 30 FDEDMO COc1cccc(-c2nnc(C[NH2+][C@@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C)o2)c1 ZINC001082451079 907730552 /nfs/dbraw/zinc/73/05/52/907730552.db2.gz PEZXTXVKLLYCHT-XJKCOSOUSA-N 1 1 369.425 1.841 20 30 FDEDMO C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csc(-c3ncccn3)n2)C1 ZINC001082448111 907813569 /nfs/dbraw/zinc/81/35/69/907813569.db2.gz DOKKQEZVRGRQBP-YRGRVCCFSA-N 1 1 356.455 1.696 20 30 FDEDMO COc1ccc(-c2nnc(C[NH2+][C@@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C)o2)cc1 ZINC001082448663 907816641 /nfs/dbraw/zinc/81/66/41/907816641.db2.gz YLKGBQVEPJQQCB-XJKCOSOUSA-N 1 1 369.425 1.841 20 30 FDEDMO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC001082483712 907906374 /nfs/dbraw/zinc/90/63/74/907906374.db2.gz CXYHHFWAGHDYKT-SSKCKEOISA-N 1 1 369.400 1.302 20 30 FDEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1nnc(C2CCC2)n1C ZINC001082480032 907947677 /nfs/dbraw/zinc/94/76/77/907947677.db2.gz ANYNYVSXABCTTJ-MLGOLLRUSA-N 1 1 367.457 1.533 20 30 FDEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1nnc(C2CC2)n1C1CC1 ZINC001082504581 908116343 /nfs/dbraw/zinc/11/63/43/908116343.db2.gz JWOJBRRPLPIPTP-CXAGYDPISA-N 1 1 353.470 1.840 20 30 FDEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]2O)cc1 ZINC001077797766 908138712 /nfs/dbraw/zinc/13/87/12/908138712.db2.gz GZWKORJKWIXJEB-RTBURBONSA-N 1 1 356.466 1.910 20 30 FDEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ccc(F)cc3)C[C@H]2O)nn1 ZINC001077801348 908303052 /nfs/dbraw/zinc/30/30/52/908303052.db2.gz NXBHIFJQNHQMFU-XGWLTEMNSA-N 1 1 359.405 1.139 20 30 FDEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ccc(F)cc3)C[C@H]2O)nn1 ZINC001077801348 908303069 /nfs/dbraw/zinc/30/30/69/908303069.db2.gz NXBHIFJQNHQMFU-XGWLTEMNSA-N 1 1 359.405 1.139 20 30 FDEDMO COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000265611294 908869847 /nfs/dbraw/zinc/86/98/47/908869847.db2.gz NUCJJKBYVPXEQO-LJQANCHMSA-N 1 1 371.485 1.106 20 30 FDEDMO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1OC)OCC ZINC001212354665 909070359 /nfs/dbraw/zinc/07/03/59/909070359.db2.gz GAFAOQPTDBWGNM-CEXWTWQISA-N 1 1 368.518 1.990 20 30 FDEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)[C@H](OC)C1 ZINC001212365616 909211640 /nfs/dbraw/zinc/21/16/40/909211640.db2.gz BOLORFLYKZKNRB-ARFHVFGLSA-N 1 1 367.490 1.310 20 30 FDEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCCNC(=O)C2CC2)[C@H](OC)C1 ZINC001212365801 909215613 /nfs/dbraw/zinc/21/56/13/909215613.db2.gz MYJKYCNHCGLZAA-QZTJIDSGSA-N 1 1 365.518 1.855 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C(C)C)nc2C)C[C@@H]1O ZINC001083790162 909522416 /nfs/dbraw/zinc/52/24/16/909522416.db2.gz ROPSQJGAGUJARL-LMCOJAPRSA-N 1 1 373.497 1.766 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(C)C)nc2C)C[C@@H]1O ZINC001083790162 909522420 /nfs/dbraw/zinc/52/24/20/909522420.db2.gz ROPSQJGAGUJARL-LMCOJAPRSA-N 1 1 373.497 1.766 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1csnc1C ZINC000997769301 909649503 /nfs/dbraw/zinc/64/95/03/909649503.db2.gz JORNHXILJBNNQW-IWCQGFGOSA-N 1 1 372.494 1.411 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1csnc1C ZINC000997769301 909649515 /nfs/dbraw/zinc/64/95/15/909649515.db2.gz JORNHXILJBNNQW-IWCQGFGOSA-N 1 1 372.494 1.411 20 30 FDEDMO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc4n3CCCC4)C2)c1 ZINC001082730169 909865109 /nfs/dbraw/zinc/86/51/09/909865109.db2.gz DYNANDQOMOVNIC-RHSMWYFYSA-N 1 1 364.453 1.241 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ocnc2-c2ccccc2)[C@H](OC)C1 ZINC001212381875 909972186 /nfs/dbraw/zinc/97/21/86/909972186.db2.gz MZJZKJQLIFLFKF-IAGOWNOFSA-N 1 1 371.437 1.973 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2ocnc2-c2ccccc2)[C@H](OC)C1 ZINC001212381875 909972188 /nfs/dbraw/zinc/97/21/88/909972188.db2.gz MZJZKJQLIFLFKF-IAGOWNOFSA-N 1 1 371.437 1.973 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCC[N@@H+](CC(=O)NC2CC2)CC1 ZINC000998131519 910431451 /nfs/dbraw/zinc/43/14/51/910431451.db2.gz SZRUIDFAHOCMRZ-KSZLIROESA-N 1 1 363.502 1.559 20 30 FDEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3noc4c3COCC4)C2)cn1 ZINC001082870874 910521546 /nfs/dbraw/zinc/52/15/46/910521546.db2.gz PQTIXPVJEGQDPJ-FZKQIMNGSA-N 1 1 366.421 1.374 20 30 FDEDMO C#CCC1(C(=O)N[C@@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@H]2OC)CCC1 ZINC001212393400 910664879 /nfs/dbraw/zinc/66/48/79/910664879.db2.gz MRTVZXJBFKQLIH-RCCFBDPRSA-N 1 1 364.486 1.191 20 30 FDEDMO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@@H](O)c3ccccc3)C2)CC1 ZINC001082941490 911017430 /nfs/dbraw/zinc/01/74/30/911017430.db2.gz SOPDOYJJKDYRNT-DUXKGJEZSA-N 1 1 369.509 1.502 20 30 FDEDMO C=C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2CCC)C1)c1ccccc1 ZINC001082937059 911019987 /nfs/dbraw/zinc/01/99/87/911019987.db2.gz JAPBLJUWFOQEHY-BPQIPLTHSA-N 1 1 368.485 1.989 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2C)C[C@H]1O ZINC001077821781 911140053 /nfs/dbraw/zinc/14/00/53/911140053.db2.gz GFWPQFWZCYKRNC-NMLBUPMWSA-N 1 1 358.482 1.946 20 30 FDEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)c2cccc3c2oc(=O)n3C)[C@H](OC)C1 ZINC001212406449 911405564 /nfs/dbraw/zinc/40/55/64/911405564.db2.gz TYKUAFKCDRXEDP-GDBMZVCRSA-N 1 1 359.426 1.527 20 30 FDEDMO C[C@H](C#N)C(=O)N1CCO[C@@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)C[C@@H]21 ZINC001083024550 911595298 /nfs/dbraw/zinc/59/52/98/911595298.db2.gz RKFWODSXBOCMSC-DKSSEZFCSA-N 1 1 355.438 1.235 20 30 FDEDMO C[C@H](C#N)C(=O)N1CCO[C@@H]2C[N@H+](CCOc3cccc(Cl)c3)C[C@@H]21 ZINC001083026668 911609681 /nfs/dbraw/zinc/60/96/81/911609681.db2.gz IQPXCIURECHQDW-XOKHGSTOSA-N 1 1 363.845 1.790 20 30 FDEDMO C[C@H](C#N)C(=O)N1CCO[C@@H]2C[N@@H+](CCOc3cccc(Cl)c3)C[C@@H]21 ZINC001083026668 911609686 /nfs/dbraw/zinc/60/96/86/911609686.db2.gz IQPXCIURECHQDW-XOKHGSTOSA-N 1 1 363.845 1.790 20 30 FDEDMO Cc1nn(C)cc1C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001083027181 911613377 /nfs/dbraw/zinc/61/33/77/911613377.db2.gz CGOMXOAVWUKIHV-RBUKOAKNSA-N 1 1 365.437 1.326 20 30 FDEDMO Cc1nn(C)cc1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001083027181 911613393 /nfs/dbraw/zinc/61/33/93/911613393.db2.gz CGOMXOAVWUKIHV-RBUKOAKNSA-N 1 1 365.437 1.326 20 30 FDEDMO N#Cc1c[nH]c(C(=O)N2CCO[C@@H]3C[N@H+](CCc4ccns4)C[C@@H]32)c1 ZINC001083040301 911761375 /nfs/dbraw/zinc/76/13/75/911761375.db2.gz GJLQFCBMIZHCSC-JKSUJKDBSA-N 1 1 357.439 1.111 20 30 FDEDMO N#Cc1c[nH]c(C(=O)N2CCO[C@@H]3C[N@@H+](CCc4ccns4)C[C@@H]32)c1 ZINC001083040301 911761380 /nfs/dbraw/zinc/76/13/80/911761380.db2.gz GJLQFCBMIZHCSC-JKSUJKDBSA-N 1 1 357.439 1.111 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@@H+]2CC[C@@H](C)C2)nc1 ZINC000998952008 911903302 /nfs/dbraw/zinc/90/33/02/911903302.db2.gz JOJINKMMHOTBOK-JZGRTCEGSA-N 1 1 366.465 1.266 20 30 FDEDMO C=CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H](C)OC)C[C@@H]32)cc1 ZINC001083123857 911917859 /nfs/dbraw/zinc/91/78/59/911917859.db2.gz WWLUJGLPSYKRPC-ZYSHUDEJSA-N 1 1 360.454 1.812 20 30 FDEDMO C=CCn1cccc1C(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]21 ZINC001083106326 912048413 /nfs/dbraw/zinc/04/84/13/912048413.db2.gz VYUWAZSESZBZTA-NZSAHSFTSA-N 1 1 359.470 1.626 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-c4cn[nH]c4)cn3)[C@H]2C1 ZINC001083124946 912089516 /nfs/dbraw/zinc/08/95/16/912089516.db2.gz XRMNWVBXLDPYGE-ZWKOTPCHSA-N 1 1 353.426 1.573 20 30 FDEDMO 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GVUNPDWLGSDFTJ-QZTJIDSGSA-N 1 1 366.469 1.895 20 30 FDEDMO CN1CC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)=NC1=O ZINC001085320911 923852956 /nfs/dbraw/zinc/85/29/56/923852956.db2.gz WMRLCGQWQVMQTP-HZPDHXFCSA-N 1 1 353.426 1.828 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C(C)C)nc1 ZINC001085398581 924448567 /nfs/dbraw/zinc/44/85/67/924448567.db2.gz NOUWPEUWDKWOBH-HZPDHXFCSA-N 1 1 367.457 1.461 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C2CC2)nc1 ZINC001085398713 924449882 /nfs/dbraw/zinc/44/98/82/924449882.db2.gz WAZTUXKNLOISPE-HZPDHXFCSA-N 1 1 365.441 1.215 20 30 FDEDMO COc1ccc(CN2CC[C@@H]2CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1C#N ZINC001085605680 924957284 /nfs/dbraw/zinc/95/72/84/924957284.db2.gz QCUOOSDDMRFESW-ATZDWAIDSA-N 1 1 370.497 1.940 20 30 FDEDMO C=C(Cl)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001098398104 925571089 /nfs/dbraw/zinc/57/10/89/925571089.db2.gz JCTQBIAXZNWHQE-HUUCEWRRSA-N 1 1 352.866 1.551 20 30 FDEDMO C=C(Cl)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001098398104 925571099 /nfs/dbraw/zinc/57/10/99/925571099.db2.gz JCTQBIAXZNWHQE-HUUCEWRRSA-N 1 1 352.866 1.551 20 30 FDEDMO C=C(Cl)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001098398104 925571108 /nfs/dbraw/zinc/57/11/08/925571108.db2.gz JCTQBIAXZNWHQE-HUUCEWRRSA-N 1 1 352.866 1.551 20 30 FDEDMO C#CCCN1CCO[C@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001108231597 925713137 /nfs/dbraw/zinc/71/31/37/925713137.db2.gz YCPMUVPSJGAGIN-RZUBCFFCSA-N 1 1 369.509 1.562 20 30 FDEDMO COc1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)cc1Cl ZINC000741456011 925779599 /nfs/dbraw/zinc/77/95/99/925779599.db2.gz OBVOWJVBCMVCDB-UHFFFAOYSA-N 1 1 370.906 1.869 20 30 FDEDMO CC(=NN1CC[NH+](C)CC1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000741760297 925849692 /nfs/dbraw/zinc/84/96/92/925849692.db2.gz XBTXAYNFERKLIF-UHFFFAOYSA-N 1 1 363.405 1.994 20 30 FDEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)C1 ZINC001006287848 926249700 /nfs/dbraw/zinc/24/97/00/926249700.db2.gz YJUYDKKIVPDSON-CRNXPOROSA-N 1 1 355.442 1.090 20 30 FDEDMO C#CCOc1cc(F)ccc1NC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000743195574 926289673 /nfs/dbraw/zinc/28/96/73/926289673.db2.gz YDWFDFNFIIVPJK-UHFFFAOYSA-N 1 1 362.449 1.987 20 30 FDEDMO C#CCOc1ccc(F)cc1NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000743201959 926291658 /nfs/dbraw/zinc/29/16/58/926291658.db2.gz SRNYAIWUSMHJMY-UHFFFAOYSA-N 1 1 362.449 1.985 20 30 FDEDMO CC[N@@H+](C)C[C@@H]1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000743399766 926347980 /nfs/dbraw/zinc/34/79/80/926347980.db2.gz XORAZHHPQNXLSM-OXJNMPFZSA-N 1 1 369.469 1.556 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001086223515 926352824 /nfs/dbraw/zinc/35/28/24/926352824.db2.gz SWLZHDREABAGPI-IVSAIRAKSA-N 1 1 362.478 1.220 20 30 FDEDMO CC[C@H](CO)[NH+]1CCN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000744419147 926658918 /nfs/dbraw/zinc/65/89/18/926658918.db2.gz NPDDDEGZNYFION-CABCVRRESA-N 1 1 372.494 1.861 20 30 FDEDMO C#CCN(CC#CC)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000745836540 927434642 /nfs/dbraw/zinc/43/46/42/927434642.db2.gz BNRPTDGFAQXDKX-LJQANCHMSA-N 1 1 352.482 1.865 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001066549427 927563937 /nfs/dbraw/zinc/56/39/37/927563937.db2.gz ZXBOIOPQTRMPJD-BBWFWOEESA-N 1 1 365.518 1.805 20 30 FDEDMO C=CCOCc1nn(C)c2c1C[N@H+]([C@H]1CC[C@H](C(=O)OCC)OC1)CC2 ZINC001169394742 928547282 /nfs/dbraw/zinc/54/72/82/928547282.db2.gz FQDHMALZNKNNRC-KBXCAEBGSA-N 1 1 363.458 1.592 20 30 FDEDMO C=CCOCc1nn(C)c2c1C[N@@H+]([C@H]1CC[C@H](C(=O)OCC)OC1)CC2 ZINC001169394742 928547295 /nfs/dbraw/zinc/54/72/95/928547295.db2.gz FQDHMALZNKNNRC-KBXCAEBGSA-N 1 1 363.458 1.592 20 30 FDEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2ncccn2)[C@@H](n2ccnn2)C1 ZINC001129332814 928690101 /nfs/dbraw/zinc/69/01/01/928690101.db2.gz JENPEUFXPJALTN-ZACQAIPSSA-N 1 1 369.473 1.397 20 30 FDEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cccc2)[C@@H](n2ccnn2)C1 ZINC001129342709 928870680 /nfs/dbraw/zinc/87/06/80/928870680.db2.gz VBVRITVMSOHCCK-KURKYZTESA-N 1 1 356.474 1.866 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cn(C(C)C)nn2)[C@@H](n2ccnn2)C1 ZINC001129348179 928924950 /nfs/dbraw/zinc/92/49/50/928924950.db2.gz LZYOYXPEBUCPQJ-ZBFHGGJFSA-N 1 1 358.450 1.072 20 30 FDEDMO C=CCN1CC[C@]2(CCC[N@H+](C3CCC(S(C)(=O)=O)CC3)C2)C1=O ZINC001169882363 928941522 /nfs/dbraw/zinc/94/15/22/928941522.db2.gz MDBICVGKMSODFG-HTWSVDAQSA-N 1 1 354.516 1.843 20 30 FDEDMO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2[C@H](C(N)=O)c2ccc(C#N)cc2)cn1 ZINC000766947525 929008744 /nfs/dbraw/zinc/00/87/44/929008744.db2.gz VWDFPGZIUCEOIC-KURKYZTESA-N 1 1 353.426 1.406 20 30 FDEDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2[C@H](C(N)=O)c2ccc(C#N)cc2)cn1 ZINC000766947525 929008759 /nfs/dbraw/zinc/00/87/59/929008759.db2.gz VWDFPGZIUCEOIC-KURKYZTESA-N 1 1 353.426 1.406 20 30 FDEDMO C[N@@H+](CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@@H]1CCSC1 ZINC000767068790 929066627 /nfs/dbraw/zinc/06/66/27/929066627.db2.gz LFMNBKCCNCRSKE-KGLIPLIRSA-N 1 1 368.503 1.395 20 30 FDEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnccn1)C2 ZINC001108873435 929409241 /nfs/dbraw/zinc/40/92/41/929409241.db2.gz LCUGLPZIGQXBAG-DFGXFYAUSA-N 1 1 371.485 1.625 20 30 FDEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnccn1)C2 ZINC001108873435 929409248 /nfs/dbraw/zinc/40/92/48/929409248.db2.gz LCUGLPZIGQXBAG-DFGXFYAUSA-N 1 1 371.485 1.625 20 30 FDEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cccn1)C2 ZINC001108925779 929507157 /nfs/dbraw/zinc/50/71/57/929507157.db2.gz DATZVQNGFPSIKM-MHORFTMASA-N 1 1 373.501 1.418 20 30 FDEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cccn1)C2 ZINC001108925779 929507168 /nfs/dbraw/zinc/50/71/68/929507168.db2.gz DATZVQNGFPSIKM-MHORFTMASA-N 1 1 373.501 1.418 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCSC)C2 ZINC001108916955 929524599 /nfs/dbraw/zinc/52/45/99/929524599.db2.gz SQMUJJOGFBRGKK-PMPSAXMXSA-N 1 1 351.516 1.662 20 30 FDEDMO C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCSC)C2 ZINC001108916955 929524601 /nfs/dbraw/zinc/52/46/01/929524601.db2.gz SQMUJJOGFBRGKK-PMPSAXMXSA-N 1 1 351.516 1.662 20 30 FDEDMO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(C2CCC2)C1=O ZINC001108952364 929567762 /nfs/dbraw/zinc/56/77/62/929567762.db2.gz XBGCVCMKJQPGGX-FXUDXRNXSA-N 1 1 362.499 1.118 20 30 FDEDMO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(C2CCC2)C1=O ZINC001108952364 929567768 /nfs/dbraw/zinc/56/77/68/929567768.db2.gz XBGCVCMKJQPGGX-FXUDXRNXSA-N 1 1 362.499 1.118 20 30 FDEDMO CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(F)F)C2 ZINC001109530927 929691938 /nfs/dbraw/zinc/69/19/38/929691938.db2.gz GFBYXBKKRJLCQP-RDBSUJKOSA-N 1 1 356.417 1.515 20 30 FDEDMO 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/nfs/dbraw/zinc/75/28/03/938752803.db2.gz VQRDBBRPMGPNDU-RYUDHWBXSA-N 1 1 355.870 1.682 20 30 FDEDMO C=C(Cl)C(C)(C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC)n1 ZINC001130216379 938752804 /nfs/dbraw/zinc/75/28/04/938752804.db2.gz VQRDBBRPMGPNDU-RYUDHWBXSA-N 1 1 355.870 1.682 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccns2)n1 ZINC001130216473 938753066 /nfs/dbraw/zinc/75/30/66/938753066.db2.gz YHDFKPLATYKPSU-RYUDHWBXSA-N 1 1 362.459 1.229 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccns2)n[nH]1 ZINC001130216473 938753068 /nfs/dbraw/zinc/75/30/68/938753068.db2.gz YHDFKPLATYKPSU-RYUDHWBXSA-N 1 1 362.459 1.229 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)COC)n1 ZINC001130202619 938755024 /nfs/dbraw/zinc/75/50/24/938755024.db2.gz FQNGADJKNRWDEB-KKUMJFAQSA-N 1 1 365.478 1.132 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)COC)n[nH]1 ZINC001130202619 938755026 /nfs/dbraw/zinc/75/50/26/938755026.db2.gz FQNGADJKNRWDEB-KKUMJFAQSA-N 1 1 365.478 1.132 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2[nH]c(C)cc2C)[nH]1 ZINC001130223467 938757501 /nfs/dbraw/zinc/75/75/01/938757501.db2.gz VQUGVJZAVRKBBB-GJZGRUSLSA-N 1 1 370.457 1.165 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)[nH]c2C)[nH]1 ZINC001130240055 938758586 /nfs/dbraw/zinc/75/85/86/938758586.db2.gz GKDHSJJWMYYGHX-HOCLYGCPSA-N 1 1 370.457 1.165 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)[nH]1 ZINC001130224853 938759007 /nfs/dbraw/zinc/75/90/07/938759007.db2.gz FRAVPBSPAXEZDX-MRNSRZSKSA-N 1 1 371.485 1.343 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnco2)n1 ZINC001130225043 938759230 /nfs/dbraw/zinc/75/92/30/938759230.db2.gz PJEFHNKGKWZQHD-STQMWFEESA-N 1 1 360.418 1.151 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnco2)n[nH]1 ZINC001130225043 938759231 /nfs/dbraw/zinc/75/92/31/938759231.db2.gz PJEFHNKGKWZQHD-STQMWFEESA-N 1 1 360.418 1.151 20 30 FDEDMO C=CC(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCOCC)n[nH]1 ZINC001130227529 938761257 /nfs/dbraw/zinc/76/12/57/938761257.db2.gz CIGRHZSEXMQYBT-KBPBESRZSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CC(C)(C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCOCC)n1 ZINC001130227529 938761258 /nfs/dbraw/zinc/76/12/58/938761258.db2.gz CIGRHZSEXMQYBT-KBPBESRZSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](F)C(C)C)n1 ZINC001130227788 938761937 /nfs/dbraw/zinc/76/19/37/938761937.db2.gz PCKIBBRLNXEPNG-KCQAQPDRSA-N 1 1 353.442 1.453 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](F)C(C)C)n[nH]1 ZINC001130227788 938761938 /nfs/dbraw/zinc/76/19/38/938761938.db2.gz PCKIBBRLNXEPNG-KCQAQPDRSA-N 1 1 353.442 1.453 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2CC=CCC2)n1 ZINC001130229775 938763293 /nfs/dbraw/zinc/76/32/93/938763293.db2.gz FKKHTIYUHNMFCF-IKGGRYGDSA-N 1 1 371.485 1.653 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H]2CC=CCC2)n[nH]1 ZINC001130229775 938763294 /nfs/dbraw/zinc/76/32/94/938763294.db2.gz FKKHTIYUHNMFCF-IKGGRYGDSA-N 1 1 371.485 1.653 20 30 FDEDMO CC#CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130229786 938763307 /nfs/dbraw/zinc/76/33/07/938763307.db2.gz GBKJMQFYWWRCGQ-HOTGVXAUSA-N 1 1 359.474 1.487 20 30 FDEDMO CC#CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1 ZINC001130229786 938763308 /nfs/dbraw/zinc/76/33/08/938763308.db2.gz GBKJMQFYWWRCGQ-HOTGVXAUSA-N 1 1 359.474 1.487 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CCCC)CC2)[nH]1 ZINC001130234636 938766006 /nfs/dbraw/zinc/76/60/06/938766006.db2.gz FPZYKLJGJAQSDG-GJZGRUSLSA-N 1 1 359.474 1.487 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2Cc3ccccc32)n1 ZINC001130237715 938767180 /nfs/dbraw/zinc/76/71/80/938767180.db2.gz BBFBVGGINIIBDS-ULQDDVLXSA-N 1 1 367.453 1.409 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2Cc3ccccc32)n[nH]1 ZINC001130237715 938767182 /nfs/dbraw/zinc/76/71/82/938767182.db2.gz BBFBVGGINIIBDS-ULQDDVLXSA-N 1 1 367.453 1.409 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2occc2CC)n1 ZINC001130242187 938769657 /nfs/dbraw/zinc/76/96/57/938769657.db2.gz KZHUXFSMJLPUAO-GJZGRUSLSA-N 1 1 371.441 1.376 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2occc2CC)n[nH]1 ZINC001130242187 938769658 /nfs/dbraw/zinc/76/96/58/938769658.db2.gz KZHUXFSMJLPUAO-GJZGRUSLSA-N 1 1 371.441 1.376 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CC)CC2)[nH]1 ZINC001130242458 938769967 /nfs/dbraw/zinc/76/99/67/938769967.db2.gz XXYOGZORNWLADZ-STQMWFEESA-N 1 1 367.881 1.826 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c[nH]cc2C2CC2)[nH]1 ZINC001130244654 938770638 /nfs/dbraw/zinc/77/06/38/938770638.db2.gz MZZVCTPFBNBOFX-BBRMVZONSA-N 1 1 368.441 1.036 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c[nH]cc2C2CC2)n[nH]1 ZINC001130244654 938770640 /nfs/dbraw/zinc/77/06/40/938770640.db2.gz MZZVCTPFBNBOFX-BBRMVZONSA-N 1 1 368.441 1.036 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(F)cc2C)[nH]1 ZINC001130247231 938772383 /nfs/dbraw/zinc/77/23/83/938772383.db2.gz ZLHMVCGDYHIBFV-HOTGVXAUSA-N 1 1 371.416 1.278 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(F)cc2C)n[nH]1 ZINC001130247231 938772384 /nfs/dbraw/zinc/77/23/84/938772384.db2.gz ZLHMVCGDYHIBFV-HOTGVXAUSA-N 1 1 371.416 1.278 20 30 FDEDMO C=C(Cl)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCOCC)CC1 ZINC001130278846 938788855 /nfs/dbraw/zinc/78/88/55/938788855.db2.gz GQWGKMNBIFFAIH-QAPCUYQASA-N 1 1 371.909 1.641 20 30 FDEDMO C[C@H]1CC[N@H+](CCC(=O)N(C)CCC#N)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805787924 938823894 /nfs/dbraw/zinc/82/38/94/938823894.db2.gz CSUFGEGZBOVGJI-OBJOEFQTSA-N 1 1 362.396 1.526 20 30 FDEDMO C[C@H]1CC[N@@H+](CCC(=O)N(C)CCC#N)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805787924 938823900 /nfs/dbraw/zinc/82/39/00/938823900.db2.gz CSUFGEGZBOVGJI-OBJOEFQTSA-N 1 1 362.396 1.526 20 30 FDEDMO C=CC[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1ccncc1 ZINC000805815180 938831779 /nfs/dbraw/zinc/83/17/79/938831779.db2.gz ZQKDXZXWXJIEMF-NVXWUHKLSA-N 1 1 374.485 1.119 20 30 FDEDMO C=CC[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)c1ccncc1 ZINC000805815180 938831783 /nfs/dbraw/zinc/83/17/83/938831783.db2.gz ZQKDXZXWXJIEMF-NVXWUHKLSA-N 1 1 374.485 1.119 20 30 FDEDMO CC(C)[C@@H](C#N)N1CC[NH+](C[C@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000822784655 945221010 /nfs/dbraw/zinc/22/10/10/945221010.db2.gz DRBCHLOYKMAGLR-HZPDHXFCSA-N 1 1 354.495 1.380 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](OCC)C2CC2)C[C@H]1c1cn(C)cn1 ZINC001130594651 939901743 /nfs/dbraw/zinc/90/17/43/939901743.db2.gz SZZSHTJXEGFLFC-UAGQMJEPSA-N 1 1 366.893 1.872 20 30 FDEDMO CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC#N)C1 ZINC001130699015 939993301 /nfs/dbraw/zinc/99/33/01/939993301.db2.gz ZKGFUKRKEQLQBN-FUHWJXTLSA-N 1 1 360.506 1.340 20 30 FDEDMO C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCCO1 ZINC000806788975 940050507 /nfs/dbraw/zinc/05/05/07/940050507.db2.gz ZZSFNGIBFCLCSQ-BZSNNMDCSA-N 1 1 361.486 1.197 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccc(C)c3)n[nH]2)O1 ZINC001130756335 940077647 /nfs/dbraw/zinc/07/76/47/940077647.db2.gz AVDUJUYEIWLMPC-DLBZAZTESA-N 1 1 367.453 1.876 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCCC(C)=O)n[nH]2)O1 ZINC001130756539 940079681 /nfs/dbraw/zinc/07/96/81/940079681.db2.gz MSZBNXIETKFUEC-LSDHHAIUSA-N 1 1 363.462 1.566 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCOC(C)C)n[nH]2)O1 ZINC001130758359 940084294 /nfs/dbraw/zinc/08/42/94/940084294.db2.gz YWRXATQLGKSIJQ-LSDHHAIUSA-N 1 1 365.478 1.622 20 30 FDEDMO CCOC(=O)C1C[NH2+]CCC1=Nc1ccc(CN(C)C(C)=NC#N)cn1 ZINC001170513327 940093721 /nfs/dbraw/zinc/09/37/21/940093721.db2.gz IJSBOVFXNDNCIC-LPYMAVHISA-N 1 1 356.430 1.635 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COC(C)C)n[nH]2)O1 ZINC001130765438 940096577 /nfs/dbraw/zinc/09/65/77/940096577.db2.gz SONBBHSIKJWBMJ-UONOGXRCSA-N 1 1 351.451 1.232 20 30 FDEDMO C=CCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCC[C@@H](C)O)O2)n1 ZINC001130767366 940100878 /nfs/dbraw/zinc/10/08/78/940100878.db2.gz GMBXZYLPXMUHGY-QLFBSQMISA-N 1 1 365.478 1.358 20 30 FDEDMO C=CCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+][C@@H](C)COC)O2)n1 ZINC001130767563 940101306 /nfs/dbraw/zinc/10/13/06/940101306.db2.gz LYVNURZKKJBDAT-MELADBBJSA-N 1 1 351.451 1.232 20 30 FDEDMO C[C@@H](C#N)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]Cc3ccccc3)O2)n1 ZINC001130769773 940106851 /nfs/dbraw/zinc/10/68/51/940106851.db2.gz NYUJISKNHPIRHL-CWRNSKLLSA-N 1 1 368.441 1.590 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)n[nH]2)O1 ZINC001130770195 940108318 /nfs/dbraw/zinc/10/83/18/940108318.db2.gz XHNFSMRRPNXWMA-DEQQHWRFSA-N 1 1 359.474 1.853 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cncc(C)c3)n[nH]2)O1 ZINC001130772420 940112474 /nfs/dbraw/zinc/11/24/74/940112474.db2.gz MEQNRDROGTVVBR-LSDHHAIUSA-N 1 1 356.430 1.434 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)CSC)n[nH]2)O1 ZINC001130772655 940113435 /nfs/dbraw/zinc/11/34/35/940113435.db2.gz WPJWOISDNHUSRE-RWMBFGLXSA-N 1 1 353.492 1.416 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(=O)C(C)(C)C)n[nH]2)O1 ZINC001130772754 940113978 /nfs/dbraw/zinc/11/39/78/940113978.db2.gz ZYZMMKMWKIWCEU-QWHCGFSZSA-N 1 1 363.462 1.422 20 30 FDEDMO O=C(C#CC1CC1)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCC3CC3)O2)n1 ZINC001130785494 940119942 /nfs/dbraw/zinc/11/99/42/940119942.db2.gz QODBVWIHIJCJRJ-JKSUJKDBSA-N 1 1 357.458 1.444 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C#CC3CC3)n[nH]2)O1 ZINC001130785705 940120534 /nfs/dbraw/zinc/12/05/34/940120534.db2.gz XGLWXLLTDYGBEM-JKSUJKDBSA-N 1 1 357.458 1.610 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C=Cc3ccc[nH]3)n[nH]2)O1 ZINC001130777183 940127755 /nfs/dbraw/zinc/12/77/55/940127755.db2.gz VUWGOSAPBCKXAD-DNWYELSFSA-N 1 1 356.430 1.458 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[C@@H](C)OC)n[nH]2)O1 ZINC001130777032 940127991 /nfs/dbraw/zinc/12/79/91/940127991.db2.gz SGPQNTMJWHNTII-QLFBSQMISA-N 1 1 365.478 1.622 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c(C)coc3C)n[nH]2)O1 ZINC001130781219 940136396 /nfs/dbraw/zinc/13/63/96/940136396.db2.gz UIYPFHHNUSXMGY-LSDHHAIUSA-N 1 1 371.441 1.778 20 30 FDEDMO C#CCCCNC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000806911437 940138795 /nfs/dbraw/zinc/13/87/95/940138795.db2.gz BZZHTJJSDMOOGI-XUVXKRRUSA-N 1 1 367.493 1.933 20 30 FDEDMO C#CCCCNC(=O)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000806912132 940139834 /nfs/dbraw/zinc/13/98/34/940139834.db2.gz WCILPMIWCKIMDR-IEBWSBKVSA-N 1 1 355.482 1.933 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3n[nH]cc3C)n[nH]2)O1 ZINC001130783478 940143019 /nfs/dbraw/zinc/14/30/19/940143019.db2.gz ZZAMXPDLTODYSJ-QWHCGFSZSA-N 1 1 359.434 1.152 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](CCC)OC)n[nH]2)O1 ZINC001130794407 940146397 /nfs/dbraw/zinc/14/63/97/940146397.db2.gz VFYKIEDUWDFFBB-BFHYXJOUSA-N 1 1 351.451 1.232 20 30 FDEDMO C#CCC1(C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCF)O3)n2)CCC1 ZINC001130790174 940162699 /nfs/dbraw/zinc/16/26/99/940162699.db2.gz LDPKVCSMAUZXOR-UONOGXRCSA-N 1 1 363.437 1.394 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(CC)o3)n[nH]2)O1 ZINC001130790310 940163706 /nfs/dbraw/zinc/16/37/06/940163706.db2.gz SOCQCXPHVLLHKD-LSDHHAIUSA-N 1 1 371.441 1.723 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3C[C@H]3C3CC3)n[nH]2)O1 ZINC001130792733 940172619 /nfs/dbraw/zinc/17/26/19/940172619.db2.gz VUVAMBFTDGGTQA-YHUYYLMFSA-N 1 1 357.458 1.300 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)c3ccco3)n[nH]2)O1 ZINC001130806525 940181259 /nfs/dbraw/zinc/18/12/59/940181259.db2.gz FBBRUULBVBEVBM-VNHYZAJKSA-N 1 1 357.414 1.261 20 30 FDEDMO C=C1CC(C)(C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CC4CC4)O3)n2)C1 ZINC001130809027 940185319 /nfs/dbraw/zinc/18/53/19/940185319.db2.gz CSPATXMAFIUAQO-LSDHHAIUSA-N 1 1 359.474 1.997 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC(C)(F)F)n[nH]2)O1 ZINC001130809164 940186701 /nfs/dbraw/zinc/18/67/01/940186701.db2.gz KIHIFBZLTOYZOS-NWDGAFQWSA-N 1 1 357.405 1.852 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)C(C)(F)F)n[nH]2)O1 ZINC001130809406 940188540 /nfs/dbraw/zinc/18/85/40/940188540.db2.gz WWEYROQYYYTPOO-GRYCIOLGSA-N 1 1 357.405 1.708 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@](C)(C=C)CC)n[nH]2)O1 ZINC001130802094 940195938 /nfs/dbraw/zinc/19/59/38/940195938.db2.gz BPKOPMBNUAGDHP-KHYOSLBOSA-N 1 1 359.474 1.856 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3conc3CC)n[nH]2)O1 ZINC001130802191 940196138 /nfs/dbraw/zinc/19/61/38/940196138.db2.gz GWFNULIJOLPQJH-SMDDNHRTSA-N 1 1 360.418 1.281 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(Cl)[nH]3)n[nH]2)O1 ZINC001130802210 940196978 /nfs/dbraw/zinc/19/69/78/940196978.db2.gz IHSTZARFTVFUGV-CMPLNLGQSA-N 1 1 362.821 1.159 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3ccco3)n[nH]2)O1 ZINC001130813156 940211869 /nfs/dbraw/zinc/21/18/69/940211869.db2.gz KBIAYMWQAFVZJC-LSDHHAIUSA-N 1 1 357.414 1.090 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ncccn3)n[nH]2)O1 ZINC001130813409 940212616 /nfs/dbraw/zinc/21/26/16/940212616.db2.gz OMCUEYQZIVIPCZ-UONOGXRCSA-N 1 1 371.445 1.301 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H](C)CC(C)C)n[nH]2)O1 ZINC001130815813 940216254 /nfs/dbraw/zinc/21/62/54/940216254.db2.gz ASTCIWYVADDDBD-HRCADAONSA-N 1 1 361.490 1.936 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H](C)C3CC3)n[nH]2)O1 ZINC001130820283 940227683 /nfs/dbraw/zinc/22/76/83/940227683.db2.gz RGBBFOMUVVPZCK-VNQPRFMTSA-N 1 1 359.474 1.690 20 30 FDEDMO CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC#Cc3ccccc3)n[nH]2)O1 ZINC001130820389 940227697 /nfs/dbraw/zinc/22/76/97/940227697.db2.gz VRSPSSPIUQBLQK-DLBZAZTESA-N 1 1 367.453 1.692 20 30 FDEDMO C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc(CC(C)C)[nH]2)C[C@H]1c1cncn1C ZINC001130991300 940413474 /nfs/dbraw/zinc/41/34/74/940413474.db2.gz CLNKZNHQTRBRLW-NVXWUHKLSA-N 1 1 368.485 1.563 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH]ncc32)C[C@H]1c1cncn1C ZINC001130994329 940417345 /nfs/dbraw/zinc/41/73/45/940417345.db2.gz UHFLEKSBXYGQPP-QGPMSJSTSA-N 1 1 368.485 1.723 20 30 FDEDMO C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1c1cncn1C ZINC001131040143 940468034 /nfs/dbraw/zinc/46/80/34/940468034.db2.gz OAUJURGPSDUKBP-HZPDHXFCSA-N 1 1 371.489 1.791 20 30 FDEDMO C=C[C@@H](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001131057588 940477986 /nfs/dbraw/zinc/47/79/86/940477986.db2.gz ODCLSXWPBJUCRZ-USXIJHARSA-N 1 1 371.489 1.235 20 30 FDEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001131055647 940481678 /nfs/dbraw/zinc/48/16/78/940481678.db2.gz GLWVQDMCJJHYBO-DJIMGWMZSA-N 1 1 371.489 1.235 20 30 FDEDMO C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)[nH]n2)C[C@H]1c1cncn1C ZINC001131073571 940490278 /nfs/dbraw/zinc/49/02/78/940490278.db2.gz IEZAEVFDXYDKBU-RHSMWYFYSA-N 1 1 354.458 1.488 20 30 FDEDMO CN(C)CC[N@@H+](C)CCCN(C)S(=O)(=O)c1cccc(F)c1C#N ZINC000808335151 940542562 /nfs/dbraw/zinc/54/25/62/940542562.db2.gz ROAGZGXGCZDNPZ-UHFFFAOYSA-N 1 1 356.467 1.201 20 30 FDEDMO CN(CCCN(C)S(=O)(=O)c1cccc(F)c1C#N)CC[NH+](C)C ZINC000808335151 940542563 /nfs/dbraw/zinc/54/25/63/940542563.db2.gz ROAGZGXGCZDNPZ-UHFFFAOYSA-N 1 1 356.467 1.201 20 30 FDEDMO CC(C)C#CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CC4CCC4)C[C@H]32)C1 ZINC001131307093 940548954 /nfs/dbraw/zinc/54/89/54/940548954.db2.gz IRLLZDBGSNETBA-KSZLIROESA-N 1 1 359.470 1.552 20 30 FDEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C=C(CC)CC)C1 ZINC001131307509 940549161 /nfs/dbraw/zinc/54/91/61/940549161.db2.gz VUTKWWCMHUFXDZ-KSZLIROESA-N 1 1 359.470 1.862 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C=C(CC)CC)C1 ZINC001131307509 940549163 /nfs/dbraw/zinc/54/91/63/940549163.db2.gz VUTKWWCMHUFXDZ-KSZLIROESA-N 1 1 359.470 1.862 20 30 FDEDMO C=CCOCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CC4CCC4)C[C@H]32)C1 ZINC001131307585 940549298 /nfs/dbraw/zinc/54/92/98/940549298.db2.gz XPMMJADZAMUROK-BBWFWOEESA-N 1 1 363.458 1.095 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001131316316 940550998 /nfs/dbraw/zinc/55/09/98/940550998.db2.gz DZRARKOLJNFPEF-OAGGEKHMSA-N 1 1 365.474 1.341 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001131316316 940550999 /nfs/dbraw/zinc/55/09/99/940550999.db2.gz DZRARKOLJNFPEF-OAGGEKHMSA-N 1 1 365.474 1.341 20 30 FDEDMO C=CCCOCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](C(C)C)C[C@H]32)C1 ZINC001131322992 940551763 /nfs/dbraw/zinc/55/17/63/940551763.db2.gz JWHVZRQWOHNDLU-XHSDSOJGSA-N 1 1 351.447 1.093 20 30 FDEDMO C=CCCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001131369624 940557739 /nfs/dbraw/zinc/55/77/39/940557739.db2.gz QBKOLLXHSDCHIO-BCDMZGRMSA-N 1 1 361.486 1.027 20 30 FDEDMO C=CCC[C@H](C)N1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001131361800 940558704 /nfs/dbraw/zinc/55/87/04/940558704.db2.gz DRSZFRXQJWNWCN-RCCFBDPRSA-N 1 1 364.534 1.332 20 30 FDEDMO C=CCC[C@H](C)N1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001131361800 940558705 /nfs/dbraw/zinc/55/87/05/940558705.db2.gz DRSZFRXQJWNWCN-RCCFBDPRSA-N 1 1 364.534 1.332 20 30 FDEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1 ZINC000808765539 940593002 /nfs/dbraw/zinc/59/30/02/940593002.db2.gz JLJSVQWEEGFITI-INIZCTEOSA-N 1 1 363.483 1.883 20 30 FDEDMO C=CCN(C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000808900900 940650411 /nfs/dbraw/zinc/65/04/11/940650411.db2.gz ZSZVXJDVPJWAAV-IBGZPJMESA-N 1 1 373.497 1.817 20 30 FDEDMO C=C(Br)CNC(=O)C(=O)NCC[N@@H+](CC)CCC(F)(F)F ZINC000809068954 940723070 /nfs/dbraw/zinc/72/30/70/940723070.db2.gz RKCRMAKBSJLGBA-UHFFFAOYSA-N 1 1 374.201 1.402 20 30 FDEDMO C=C(Br)CNC(=O)C(=O)NCC[N@H+](CC)CCC(F)(F)F ZINC000809068954 940723073 /nfs/dbraw/zinc/72/30/73/940723073.db2.gz RKCRMAKBSJLGBA-UHFFFAOYSA-N 1 1 374.201 1.402 20 30 FDEDMO C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2CCN(CC#C)CC2)CC1 ZINC001131608791 940788651 /nfs/dbraw/zinc/78/86/51/940788651.db2.gz NKTULOXJBJZAIT-RTWAWAEBSA-N 1 1 371.525 1.341 20 30 FDEDMO C#C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000809310451 940814796 /nfs/dbraw/zinc/81/47/96/940814796.db2.gz JLYYKOPKKAPPOH-FHWLQOOXSA-N 1 1 369.465 1.016 20 30 FDEDMO COc1ccc(CNC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1C#N ZINC000809504719 940846810 /nfs/dbraw/zinc/84/68/10/940846810.db2.gz RUEXHYRPRCDVIM-QGZVFWFLSA-N 1 1 370.453 1.316 20 30 FDEDMO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1)C1CC1 ZINC000810072128 940946053 /nfs/dbraw/zinc/94/60/53/940946053.db2.gz RCKGKFWCNQOOOZ-IAQYHMDHSA-N 1 1 360.380 1.185 20 30 FDEDMO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1)C1CC1 ZINC000810072128 940946054 /nfs/dbraw/zinc/94/60/54/940946054.db2.gz RCKGKFWCNQOOOZ-IAQYHMDHSA-N 1 1 360.380 1.185 20 30 FDEDMO C#C[C@@H](C)N(C)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000812033761 941179539 /nfs/dbraw/zinc/17/95/39/941179539.db2.gz DOZQKFCJGWDDNU-QAPCUYQASA-N 1 1 356.470 1.547 20 30 FDEDMO COc1ccc(CNC(=O)N(C)CCC[N@@H+](C)CCN(C)C)cc1C#N ZINC000812177497 941185938 /nfs/dbraw/zinc/18/59/38/941185938.db2.gz HXIBTBZLARLDSG-UHFFFAOYSA-N 1 1 361.490 1.592 20 30 FDEDMO COc1ccc(CNC(=O)N(C)CCCN(C)CC[NH+](C)C)cc1C#N ZINC000812177497 941185939 /nfs/dbraw/zinc/18/59/39/941185939.db2.gz HXIBTBZLARLDSG-UHFFFAOYSA-N 1 1 361.490 1.592 20 30 FDEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1 ZINC000812345230 941196101 /nfs/dbraw/zinc/19/61/01/941196101.db2.gz WQLMSFVHPPOCJS-CVEARBPZSA-N 1 1 363.483 1.175 20 30 FDEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001195278457 970809346 /nfs/dbraw/zinc/80/93/46/970809346.db2.gz VBBHBFZCICGDQH-IXDOHACOSA-N 1 1 350.434 1.623 20 30 FDEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001195278457 970809350 /nfs/dbraw/zinc/80/93/50/970809350.db2.gz VBBHBFZCICGDQH-IXDOHACOSA-N 1 1 350.434 1.623 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000814140887 941561249 /nfs/dbraw/zinc/56/12/49/941561249.db2.gz PVYVBFRNQIKKJF-JKSUJKDBSA-N 1 1 361.486 1.990 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000814140887 941561252 /nfs/dbraw/zinc/56/12/52/941561252.db2.gz PVYVBFRNQIKKJF-JKSUJKDBSA-N 1 1 361.486 1.990 20 30 FDEDMO C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000747979944 941727440 /nfs/dbraw/zinc/72/74/40/941727440.db2.gz NPFNIVOHGGMOMH-IBGZPJMESA-N 1 1 368.481 1.432 20 30 FDEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCNC(=O)CC3)CC2)cc1 ZINC000814841873 941729589 /nfs/dbraw/zinc/72/95/89/941729589.db2.gz LESHWLDNGAVJTC-GOSISDBHSA-N 1 1 354.454 1.509 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCNC(=O)CC3)CC2)cc1 ZINC000814841873 941729590 /nfs/dbraw/zinc/72/95/90/941729590.db2.gz LESHWLDNGAVJTC-GOSISDBHSA-N 1 1 354.454 1.509 20 30 FDEDMO CC(C)(C)OC(=O)N1CC2(CC(=NNCCC[NH+]3CCOCC3)C2)C1 ZINC000814923381 941739250 /nfs/dbraw/zinc/73/92/50/941739250.db2.gz GIMZGVORBNMTNE-UHFFFAOYSA-N 1 1 352.479 1.685 20 30 FDEDMO C#CC[N@@H+](C)CCCNc1ncc(C(=O)N2CCOCC2)cc1Cl ZINC000814929631 941739903 /nfs/dbraw/zinc/73/99/03/941739903.db2.gz NIFRGSGLYZMEEX-UHFFFAOYSA-N 1 1 350.850 1.574 20 30 FDEDMO C#CCNC(=O)CC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000815021526 941755494 /nfs/dbraw/zinc/75/54/94/941755494.db2.gz PYPGFHSKRBPBSU-UHFFFAOYSA-N 1 1 363.845 1.003 20 30 FDEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(F)c(Br)c1 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GVWQMQNIDZMZAZ-IAGOWNOFSA-N 1 1 370.457 1.184 20 30 FDEDMO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2COCCN2CCCC)[C@H](C)C1 ZINC001092856081 956702630 /nfs/dbraw/zinc/70/26/30/956702630.db2.gz WDEYRUIUCNQAFT-DJIMGWMZSA-N 1 1 357.926 1.924 20 30 FDEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@H]1CCC(=O)N1C ZINC001092903733 956846714 /nfs/dbraw/zinc/84/67/14/956846714.db2.gz UAUDYPVHIBDGLD-SZVBFZGTSA-N 1 1 371.456 1.482 20 30 FDEDMO C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+](Cc3nnc(CC)o3)C[C@H]2C)c1 ZINC001092952507 956886007 /nfs/dbraw/zinc/88/60/07/956886007.db2.gz LPVNIFMJBPOCNP-CZUORRHYSA-N 1 1 353.426 1.506 20 30 FDEDMO C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](Cc3nnc(CC)o3)C[C@H]2C)c1 ZINC001092952507 956886021 /nfs/dbraw/zinc/88/60/21/956886021.db2.gz LPVNIFMJBPOCNP-CZUORRHYSA-N 1 1 353.426 1.506 20 30 FDEDMO C=C1CCC(C(=O)NC[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]2C)CC1 ZINC001092935133 956953767 /nfs/dbraw/zinc/95/37/67/956953767.db2.gz REKJPXWOJHNCOK-BHIYHBOVSA-N 1 1 360.502 1.675 20 30 FDEDMO 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ZINC001093063859 957299284 /nfs/dbraw/zinc/29/92/84/957299284.db2.gz AOSMBVNTILXUDR-IUODEOHRSA-N 1 1 354.414 1.183 20 30 FDEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](C)C1 ZINC001093063859 957299287 /nfs/dbraw/zinc/29/92/87/957299287.db2.gz AOSMBVNTILXUDR-IUODEOHRSA-N 1 1 354.414 1.183 20 30 FDEDMO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](C)C1 ZINC001093063859 957299290 /nfs/dbraw/zinc/29/92/90/957299290.db2.gz AOSMBVNTILXUDR-IUODEOHRSA-N 1 1 354.414 1.183 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)c1ccncn1 ZINC001093066612 957311444 /nfs/dbraw/zinc/31/14/44/957311444.db2.gz HGPUBLYVFRBRQZ-CZUORRHYSA-N 1 1 353.401 1.985 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)c1cccnn1 ZINC001093074339 957334743 /nfs/dbraw/zinc/33/47/43/957334743.db2.gz DGIPXLDERZHXEK-CZUORRHYSA-N 1 1 353.401 1.985 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)c1cccnn1 ZINC001093075076 957336149 /nfs/dbraw/zinc/33/61/49/957336149.db2.gz UXMQFFVZHVNDEV-NVXWUHKLSA-N 1 1 365.437 1.877 20 30 FDEDMO C=C(Br)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)[C@H](C)C1 ZINC001093085138 957368692 /nfs/dbraw/zinc/36/86/92/957368692.db2.gz RBBPCSZZTXJULT-BXKDBHETSA-N 1 1 369.263 1.320 20 30 FDEDMO C=C(Br)C[N@H+]1C[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)[C@H](C)C1 ZINC001093085138 957368702 /nfs/dbraw/zinc/36/87/02/957368702.db2.gz RBBPCSZZTXJULT-BXKDBHETSA-N 1 1 369.263 1.320 20 30 FDEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1CN(c1ccc(C#N)nn1)C2 ZINC001093108749 957397053 /nfs/dbraw/zinc/39/70/53/957397053.db2.gz WWUHJHANCOVLAG-VPWXQRGCSA-N 1 1 368.485 1.698 20 30 FDEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3c[nH]nc3C3CC3)[C@H](C)C2)C1=O ZINC001093099622 957405365 /nfs/dbraw/zinc/40/53/65/957405365.db2.gz FLNKFGULDFRVDP-UNEWFSDZSA-N 1 1 371.485 1.372 20 30 FDEDMO CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(c1cncc(C#N)n1)C2 ZINC001093092011 957539579 /nfs/dbraw/zinc/53/95/79/957539579.db2.gz YZOQCDMSDLJXCX-KXBFYZLASA-N 1 1 356.474 1.555 20 30 FDEDMO CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccncc2C#N)C1 ZINC001093114565 957554237 /nfs/dbraw/zinc/55/42/37/957554237.db2.gz MWPYTRBZWLOKTR-UKRRQHHQSA-N 1 1 369.391 1.518 20 30 FDEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2nccnc2C#N)C1 ZINC001093124320 957588067 /nfs/dbraw/zinc/58/80/67/957588067.db2.gz ZYINAZARPSJENN-KXBFYZLASA-N 1 1 356.474 1.729 20 30 FDEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]([C@H]3CCN(CC=C)C3=O)C[C@H]2C)cn1 ZINC001093142779 957639604 /nfs/dbraw/zinc/63/96/04/957639604.db2.gz BPMPIYXKJLQWBD-SUMDDJOVSA-N 1 1 366.465 1.148 20 30 FDEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cn3cccn3)on2)C1 ZINC001197574998 972289937 /nfs/dbraw/zinc/28/99/37/972289937.db2.gz KGZSLYPKLDPLQC-IAOVAPTHSA-N 1 1 359.430 1.049 20 30 FDEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cnn(C)c3)o2)C1 ZINC001197567543 972306624 /nfs/dbraw/zinc/30/66/24/972306624.db2.gz ROFNHHIRHBTGQQ-FVQBIDKESA-N 1 1 358.442 1.810 20 30 FDEDMO C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 ZINC001093378706 958017157 /nfs/dbraw/zinc/01/71/57/958017157.db2.gz RXTLPRCQNCLDOX-FGTMMUONSA-N 1 1 357.498 1.614 20 30 FDEDMO C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3nc[nH]n3)[C@H]2C(C)C)C[C@H]1O ZINC001093439019 958072930 /nfs/dbraw/zinc/07/29/30/958072930.db2.gz IMBHCKKTSDXQQY-VVWQDTPRSA-N 1 1 361.490 1.280 20 30 FDEDMO C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc4c[nH]nc43)[C@@H]2C(C)C)C[C@H]1O ZINC001093460259 958189373 /nfs/dbraw/zinc/18/93/73/958189373.db2.gz RAVGLPHOFFHGFK-VGUOSERISA-N 1 1 366.465 1.776 20 30 FDEDMO CC(C)[C@@H]1N(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@]12C[C@@H](O)[C@H](NCC#N)C2 ZINC001093465423 958203759 /nfs/dbraw/zinc/20/37/59/958203759.db2.gz JOOBZJUJYRBUSQ-HBXLWWENSA-N 1 1 362.518 1.208 20 30 FDEDMO C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnccc3N(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001093470947 958232000 /nfs/dbraw/zinc/23/20/00/958232000.db2.gz AQJMMBSKUMHYQR-RBAQFSTRSA-N 1 1 370.497 1.361 20 30 FDEDMO C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)c3c[nH]cn3)[C@H]2C(C)C)C[C@H]1O ZINC001093471759 958235435 /nfs/dbraw/zinc/23/54/35/958235435.db2.gz GNYDYHQZBPCOCW-RNKNFESXSA-N 1 1 360.502 1.839 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2cc3ccccc3o2)C1 ZINC001197637714 972350271 /nfs/dbraw/zinc/35/02/71/972350271.db2.gz YFLRXCFMHFFUIO-USXIJHARSA-N 1 1 358.438 1.900 20 30 FDEDMO C[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001093701693 958570087 /nfs/dbraw/zinc/57/00/87/958570087.db2.gz VETVCVFRSPTVMR-CHWSQXEVSA-N 1 1 358.471 1.555 20 30 FDEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001093722411 958597814 /nfs/dbraw/zinc/59/78/14/958597814.db2.gz ACHCZOYXPWZZIA-CHWSQXEVSA-N 1 1 370.461 1.126 20 30 FDEDMO C#C[C@@H](NC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCO1 ZINC000773219139 958849501 /nfs/dbraw/zinc/84/95/01/958849501.db2.gz KYBFXESHVMAJCW-RTBURBONSA-N 1 1 374.460 1.428 20 30 FDEDMO C=C1CC(C)(C(=O)N2C[C@@H](C[NH2+]Cc3nnn(C(C)(C)C)n3)[C@H](C)C2)C1 ZINC001094026982 959549163 /nfs/dbraw/zinc/54/91/63/959549163.db2.gz QOZFGIHBMCLUBF-HUUCEWRRSA-N 1 1 360.506 1.969 20 30 FDEDMO C=CCn1cc(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3noc(C)n3)[C@H](C)C2)nn1 ZINC001094095118 959770452 /nfs/dbraw/zinc/77/04/52/959770452.db2.gz GIEMJVGRAJAGRX-YRGRVCCFSA-N 1 1 359.434 1.214 20 30 FDEDMO C#C[C@@H]([NH2+]CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)[C@@H]1CCCO1 ZINC000775789652 972479579 /nfs/dbraw/zinc/47/95/79/972479579.db2.gz MIWJFZXAKLGBEH-MOPGFXCFSA-N 1 1 369.465 1.178 20 30 FDEDMO C=C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1)c1ccccc1 ZINC001094237287 960150094 /nfs/dbraw/zinc/15/00/94/960150094.db2.gz ZRQYUQLXDCCLLS-OIISXLGYSA-N 1 1 354.458 1.364 20 30 FDEDMO C=C(Cl)CN1CC(n2cc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)nn2)C1 ZINC001094293083 960256483 /nfs/dbraw/zinc/25/64/83/960256483.db2.gz WRQNNGWWCCYSRB-JKSUJKDBSA-N 1 1 366.897 1.234 20 30 FDEDMO 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C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(Cl)cn3)[C@H]2C)C1=O ZINC001088993987 865962982 /nfs/dbraw/zinc/96/29/82/865962982.db2.gz MKPSEUNOSUBUPG-INWMFGNUSA-N 1 1 362.861 1.715 20 30 FDEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(Cl)cn3)[C@H]2C)C1=O ZINC001088993987 865962985 /nfs/dbraw/zinc/96/29/85/865962985.db2.gz MKPSEUNOSUBUPG-INWMFGNUSA-N 1 1 362.861 1.715 20 30 FDEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](CCN2CCCC2=O)[C@@H]1C ZINC001089005355 866003395 /nfs/dbraw/zinc/00/33/95/866003395.db2.gz FLBJGUANLIYJLI-APWZRJJASA-N 1 1 353.466 1.412 20 30 FDEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@H]1OC ZINC001212193736 866017489 /nfs/dbraw/zinc/01/74/89/866017489.db2.gz KATWDZQRSWKQBY-GGPKGHCWSA-N 1 1 368.518 1.868 20 30 FDEDMO COc1nccnc1N=NCc1cc(C)n(CC[NH+]2CCOCC2)c1C ZINC000763411372 881934271 /nfs/dbraw/zinc/93/42/71/881934271.db2.gz ITGSPUWTFCLNSX-UHFFFAOYSA-N 1 1 358.446 1.682 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3ccccc3OC)[C@H]2C)C1=O ZINC001089025166 866126082 /nfs/dbraw/zinc/12/60/82/866126082.db2.gz QPXMIEUXQYTNIS-NJAFHUGGSA-N 1 1 371.481 1.604 20 30 FDEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cn(C(C)C)nc2C)C[C@H]1OC ZINC001212194809 866273200 /nfs/dbraw/zinc/27/32/00/866273200.db2.gz XSGLTJRASKEXNY-ZHALLVOQSA-N 1 1 364.490 1.415 20 30 FDEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cn(C(C)C)nc2C)C[C@H]1OC ZINC001212194809 866273218 /nfs/dbraw/zinc/27/32/18/866273218.db2.gz XSGLTJRASKEXNY-ZHALLVOQSA-N 1 1 364.490 1.415 20 30 FDEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccc(C)s3)[C@H]2C)C1=O ZINC001089059971 866390655 /nfs/dbraw/zinc/39/06/55/866390655.db2.gz LKJLTIUHACLBGH-HYVNUMGLSA-N 1 1 361.511 1.965 20 30 FDEDMO C=CCCCC(=O)N1C[C@@H](Nc2cc(C)[nH+]c(C)n2)[C@@H](n2ccnn2)C1 ZINC001089092456 866916537 /nfs/dbraw/zinc/91/65/37/866916537.db2.gz MZSWQHAVQIRIFJ-CVEARBPZSA-N 1 1 355.446 1.905 20 30 FDEDMO C=C1CCC(C(=O)N2C[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)[C@H](OC)C2)CC1 ZINC000946775689 882069410 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KXNQZXGHWLTUCT-CVEARBPZSA-N 1 1 361.446 1.254 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC001033431771 882513924 /nfs/dbraw/zinc/51/39/24/882513924.db2.gz IHKOHWWEHKBHNB-XHSDSOJGSA-N 1 1 352.866 1.660 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC001033431771 882513935 /nfs/dbraw/zinc/51/39/35/882513935.db2.gz IHKOHWWEHKBHNB-XHSDSOJGSA-N 1 1 352.866 1.660 20 30 FDEDMO COCC#CCN1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495889 872518931 /nfs/dbraw/zinc/51/89/31/872518931.db2.gz SJUBFAXQZVHSAF-QZTJIDSGSA-N 1 1 365.518 1.105 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC001033498228 882628816 /nfs/dbraw/zinc/62/88/16/882628816.db2.gz VJNOYOBUYHBKIK-FHWLQOOXSA-N 1 1 371.481 1.799 20 30 FDEDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)Cc2c(C)cc(C#N)cc2C)C1 ZINC000914407405 872755373 /nfs/dbraw/zinc/75/53/73/872755373.db2.gz JUSUVABDEQDQOF-INIZCTEOSA-N 1 1 351.472 1.315 20 30 FDEDMO C=C(Br)CNC(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000914418460 872794475 /nfs/dbraw/zinc/79/44/75/872794475.db2.gz LHPZAUGDPYTMKP-BHPKHCPMSA-N 1 1 360.296 1.674 20 30 FDEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc3c(n2)OCCO3)[C@H](OC)C1 ZINC001212510135 873098325 /nfs/dbraw/zinc/09/83/25/873098325.db2.gz WZACKQZSPFYJFC-YSVLISHTSA-N 1 1 361.442 1.637 20 30 FDEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1 ZINC000992893995 873101513 /nfs/dbraw/zinc/10/15/13/873101513.db2.gz ANZWKPTZNCLDAL-WAOWUJCRSA-N 1 1 357.498 1.580 20 30 FDEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cn3cccnc3n2)[C@H](OC)C1 ZINC001212509637 873108339 /nfs/dbraw/zinc/10/83/39/873108339.db2.gz HINCFCCBHCZTKB-NVXWUHKLSA-N 1 1 357.458 1.905 20 30 FDEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1 ZINC001003372288 873239334 /nfs/dbraw/zinc/23/93/34/873239334.db2.gz SCAXKACRGXYWDD-LMSBXDPUSA-N 1 1 369.469 1.622 20 30 FDEDMO CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@]2(C)C1 ZINC000992938105 873343900 /nfs/dbraw/zinc/34/39/00/873343900.db2.gz DERKSULVXCIDLF-YZVOILCLSA-N 1 1 357.458 1.473 20 30 FDEDMO CCOC1CC(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083719101 873507904 /nfs/dbraw/zinc/50/79/04/873507904.db2.gz POWDSAZWEANBHX-GMNCBBECSA-N 1 1 357.454 1.425 20 30 FDEDMO CCOC1CC(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083719101 873507912 /nfs/dbraw/zinc/50/79/12/873507912.db2.gz POWDSAZWEANBHX-GMNCBBECSA-N 1 1 357.454 1.425 20 30 FDEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)cc1 ZINC001003535967 873675022 /nfs/dbraw/zinc/67/50/22/873675022.db2.gz JNDQIDVXXZTTJH-RBUKOAKNSA-N 1 1 353.466 1.586 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)c3cncc(C#N)n3)C2)CC[N@H+]1C ZINC001061281072 873728610 /nfs/dbraw/zinc/72/86/10/873728610.db2.gz NHBNADOLNZPOMW-IXDOHACOSA-N 1 1 356.474 1.506 20 30 FDEDMO 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C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@@H]1n1ccnn1 ZINC001128830842 883757271 /nfs/dbraw/zinc/75/72/71/883757271.db2.gz ZNVSSJSDAFODPS-XWIAVFTESA-N 1 1 363.425 1.461 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2csc(COC)n2)C1 ZINC000999429030 912754059 /nfs/dbraw/zinc/75/40/59/912754059.db2.gz WERUIBOOSXRJST-GDVJOBBMSA-N 1 1 365.499 1.960 20 30 FDEDMO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001128838874 883816851 /nfs/dbraw/zinc/81/68/51/883816851.db2.gz QLXXBEQOWHRHCH-MSOLQXFVSA-N 1 1 371.489 1.722 20 30 FDEDMO CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC001034246398 883999973 /nfs/dbraw/zinc/99/99/73/883999973.db2.gz FVVOUCDPHYEWAR-ZHALLVOQSA-N 1 1 358.486 1.975 20 30 FDEDMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC#Cc2ccccc2)C1 ZINC001034255853 884003010 /nfs/dbraw/zinc/00/30/10/884003010.db2.gz DLGFRJIJROGCSG-IHPCNDPISA-N 1 1 356.466 1.813 20 30 FDEDMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001034255853 884003025 /nfs/dbraw/zinc/00/30/25/884003025.db2.gz DLGFRJIJROGCSG-IHPCNDPISA-N 1 1 356.466 1.813 20 30 FDEDMO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@@H]1n1ccnn1 ZINC001128939601 884184437 /nfs/dbraw/zinc/18/44/37/884184437.db2.gz UCJWLKAEWZYKNY-MSOLQXFVSA-N 1 1 355.417 1.762 20 30 FDEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@@H]1n1ccnn1 ZINC001128939601 884184451 /nfs/dbraw/zinc/18/44/51/884184451.db2.gz UCJWLKAEWZYKNY-MSOLQXFVSA-N 1 1 355.417 1.762 20 30 FDEDMO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)C[C@@H]1n1ccnn1 ZINC001128958071 884453097 /nfs/dbraw/zinc/45/30/97/884453097.db2.gz OPGJEJVAQQTTLA-MOPGFXCFSA-N 1 1 367.453 1.632 20 30 FDEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)cc2)C[C@@H]1n1ccnn1 ZINC001128958071 884453103 /nfs/dbraw/zinc/45/31/03/884453103.db2.gz OPGJEJVAQQTTLA-MOPGFXCFSA-N 1 1 367.453 1.632 20 30 FDEDMO CCc1nc(C#N)cc(N2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001061757894 884460042 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VELVSTAKRWDZLZ-MSOLQXFVSA-N 1 1 361.405 1.410 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](OCC)C2=CCCC2)[C@@H](n2ccnn2)C1 ZINC001128985883 884736412 /nfs/dbraw/zinc/73/64/12/884736412.db2.gz WTEKIYHEKLJBHX-CEXWTWQISA-N 1 1 371.485 1.548 20 30 FDEDMO C#CCNC(=O)C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccc(OC)c1 ZINC000766121259 884858532 /nfs/dbraw/zinc/85/85/32/884858532.db2.gz OJNHOOWADLHFMH-HXUWFJFHSA-N 1 1 352.434 1.980 20 30 FDEDMO C#CCNC(=O)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(OC)c1 ZINC000766121259 884858540 /nfs/dbraw/zinc/85/85/40/884858540.db2.gz OJNHOOWADLHFMH-HXUWFJFHSA-N 1 1 352.434 1.980 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(CC)n2)C1 ZINC000999523477 912882769 /nfs/dbraw/zinc/88/27/69/912882769.db2.gz JHVUSFMWUPWNLJ-KXIUCKCTSA-N 1 1 361.490 1.748 20 30 FDEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Oc2cccc(F)c2)[C@@H](n2ccnn2)C1 ZINC001129009684 885052833 /nfs/dbraw/zinc/05/28/33/885052833.db2.gz KZDLSZYTQFWUFU-XYPHTWIQSA-N 1 1 359.405 1.412 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Oc2cccc(F)c2)[C@@H](n2ccnn2)C1 ZINC001129009684 885052850 /nfs/dbraw/zinc/05/28/50/885052850.db2.gz KZDLSZYTQFWUFU-XYPHTWIQSA-N 1 1 359.405 1.412 20 30 FDEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Oc2cccc(F)c2)[C@@H](n2ccnn2)C1 ZINC001129009501 885066414 /nfs/dbraw/zinc/06/64/14/885066414.db2.gz CHQSUPPXYISQQB-QGTPRVQTSA-N 1 1 371.416 1.250 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Oc2cccc(F)c2)[C@@H](n2ccnn2)C1 ZINC001129009501 885066426 /nfs/dbraw/zinc/06/64/26/885066426.db2.gz CHQSUPPXYISQQB-QGTPRVQTSA-N 1 1 371.416 1.250 20 30 FDEDMO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129014399 885120949 /nfs/dbraw/zinc/12/09/49/885120949.db2.gz IUMRALYCCMKQGA-BNOWGMLFSA-N 1 1 355.870 1.433 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(C[NH2+]Cc2cn(C)nn2)cc1 ZINC001034826736 885233877 /nfs/dbraw/zinc/23/38/77/885233877.db2.gz VUMBCYJCZGVVSC-OALUTQOASA-N 1 1 369.469 1.702 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc3occc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001129020200 885252875 /nfs/dbraw/zinc/25/28/75/885252875.db2.gz OMNKEBMQQQFPFI-CVEARBPZSA-N 1 1 370.413 1.210 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cc3occc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001129020200 885252893 /nfs/dbraw/zinc/25/28/93/885252893.db2.gz OMNKEBMQQQFPFI-CVEARBPZSA-N 1 1 370.413 1.210 20 30 FDEDMO C=CCCOCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001078990484 885332112 /nfs/dbraw/zinc/33/21/12/885332112.db2.gz IDHHVYUGOHSBCC-KZNAEPCWSA-N 1 1 365.518 1.759 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)CC(F)F)[C@@H](n2ccnn2)C1 ZINC001129053410 885584061 /nfs/dbraw/zinc/58/40/61/885584061.db2.gz YHZCUNOCEJQLRJ-KFWWJZLASA-N 1 1 371.432 1.504 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)CC(C)(C)C1 ZINC001089493388 885669079 /nfs/dbraw/zinc/66/90/79/885669079.db2.gz WAWQSTSJRLQEFA-ZACQAIPSSA-N 1 1 363.502 1.417 20 30 FDEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H](n2ccnn2)C1 ZINC001129079399 885687793 /nfs/dbraw/zinc/68/77/93/885687793.db2.gz IXYVVBJYUQRHNU-MSOLQXFVSA-N 1 1 365.441 1.776 20 30 FDEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)c2n[nH]c3c2CCCC3)[C@@H](n2ccnn2)C1 ZINC001129090123 885718383 /nfs/dbraw/zinc/71/83/83/885718383.db2.gz VUNMOZCOYSMEKR-SJORKVTESA-N 1 1 369.473 1.502 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc3c2CCCC3)[C@@H](n2ccnn2)C1 ZINC001129090123 885718394 /nfs/dbraw/zinc/71/83/94/885718394.db2.gz VUNMOZCOYSMEKR-SJORKVTESA-N 1 1 369.473 1.502 20 30 FDEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)c2[nH]nc3c2CCCC3)[C@@H](n2ccnn2)C1 ZINC001129090123 885718401 /nfs/dbraw/zinc/71/84/01/885718401.db2.gz VUNMOZCOYSMEKR-SJORKVTESA-N 1 1 369.473 1.502 20 30 FDEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccnc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001129098337 885730523 /nfs/dbraw/zinc/73/05/23/885730523.db2.gz IGAJRWPNOFIRLX-IMJJTQAJSA-N 1 1 371.445 1.087 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2ccnc(C)n2)[C@@H](n2ccnn2)C1 ZINC001129133593 885828924 /nfs/dbraw/zinc/82/89/24/885828924.db2.gz BLKIFSXGZWYUAI-MSOLQXFVSA-N 1 1 369.473 1.317 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2ccc(C)n2)[C@@H](n2ccnn2)C1 ZINC001129147700 885876344 /nfs/dbraw/zinc/87/63/44/885876344.db2.gz MFGCVFXWUHGVFB-KURKYZTESA-N 1 1 371.489 1.742 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](OCC)C2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129148014 885880115 /nfs/dbraw/zinc/88/01/15/885880115.db2.gz VRZGOQJPVUFAAP-SQNIBIBYSA-N 1 1 361.490 1.791 20 30 FDEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](OCC)C2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129148014 885880124 /nfs/dbraw/zinc/88/01/24/885880124.db2.gz VRZGOQJPVUFAAP-SQNIBIBYSA-N 1 1 361.490 1.791 20 30 FDEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)CCc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001129153473 885885380 /nfs/dbraw/zinc/88/53/80/885885380.db2.gz BCMLTSQTCRGYKV-MSOLQXFVSA-N 1 1 354.458 1.614 20 30 FDEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)C3(c4ccccc4)CC3)[C@@H](O)C2)c1 ZINC001084027985 912993094 /nfs/dbraw/zinc/99/30/94/912993094.db2.gz AUUUELFJRXKSDY-UXHICEINSA-N 1 1 361.445 1.951 20 30 FDEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)C3(c4ccccc4)CC3)[C@@H](O)C2)c1 ZINC001084027985 912993095 /nfs/dbraw/zinc/99/30/95/912993095.db2.gz AUUUELFJRXKSDY-UXHICEINSA-N 1 1 361.445 1.951 20 30 FDEDMO C=C1CC(C)(C(=O)NC[C@@H]2COCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001061885614 886170873 /nfs/dbraw/zinc/17/08/73/886170873.db2.gz RVEKCJJJBBJZFM-IXDOHACOSA-N 1 1 363.502 1.417 20 30 FDEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3cccnc32)[C@@H](n2ccnn2)C1 ZINC001129199945 886315306 /nfs/dbraw/zinc/31/53/06/886315306.db2.gz PQCGOJYZMGATDO-KURKYZTESA-N 1 1 366.469 1.711 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(C[NH+]([C@@H](C)C(=O)N(C)C)C2)CC1 ZINC001035707150 886339488 /nfs/dbraw/zinc/33/94/88/886339488.db2.gz DNAUJAUDDNPTIM-BBWFWOEESA-N 1 1 363.502 1.369 20 30 FDEDMO 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ZBLAOIYKPQBYEU-IDHHARJASA-N 1 1 351.491 1.367 20 30 FDEDMO C=C[C@](C)(CC)C(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001080466463 905474343 /nfs/dbraw/zinc/47/43/43/905474343.db2.gz ZBLAOIYKPQBYEU-IDHHARJASA-N 1 1 351.491 1.367 20 30 FDEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C2CCN(C(=O)C(C)C)CC2)[C@H](OC)C1 ZINC001082009753 905544337 /nfs/dbraw/zinc/54/43/37/905544337.db2.gz SNBIXOXRRLOMJT-IAGOWNOFSA-N 1 1 351.491 1.273 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@H]2OC)cc1 ZINC001082013056 905558236 /nfs/dbraw/zinc/55/82/36/905558236.db2.gz XOSYNILYZNCLMK-RTBURBONSA-N 1 1 352.438 1.339 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cn(C)nc3C)C[C@H]2OC)cc1 ZINC001082013056 905558246 /nfs/dbraw/zinc/55/82/46/905558246.db2.gz XOSYNILYZNCLMK-RTBURBONSA-N 1 1 352.438 1.339 20 30 FDEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)COC[C@@H]3CCOC3)CCC[C@@H]12 ZINC001107564423 905664945 /nfs/dbraw/zinc/66/49/45/905664945.db2.gz VLMKHEZNHUYCRY-QWFCFKBJSA-N 1 1 364.486 1.050 20 30 FDEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cnccc3C)C[C@H]2C)nn1 ZINC001080584659 905746444 /nfs/dbraw/zinc/74/64/44/905746444.db2.gz ITDUAUHHEKGCFQ-NVXWUHKLSA-N 1 1 354.458 1.808 20 30 FDEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2C)nn1 ZINC001080589671 905758109 /nfs/dbraw/zinc/75/81/09/905758109.db2.gz GAPSFSNCOFJMAQ-OWCLPIDISA-N 1 1 361.490 1.719 20 30 FDEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC/C=C/CNc2ncc(C#N)cc2Cl)O1 ZINC001107578075 905772447 /nfs/dbraw/zinc/77/24/47/905772447.db2.gz KYPZSUQVTCNTIV-RRSPZVPKSA-N 1 1 363.849 1.410 20 30 FDEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC/C=C/CNc2ncc(C#N)cc2Cl)O1 ZINC001107578075 905772451 /nfs/dbraw/zinc/77/24/51/905772451.db2.gz KYPZSUQVTCNTIV-RRSPZVPKSA-N 1 1 363.849 1.410 20 30 FDEDMO C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)c3cn(CCC)nn3)CCC[C@@H]12 ZINC001107588565 905798565 /nfs/dbraw/zinc/79/85/65/905798565.db2.gz LZNPQBSWVOLSLD-IEBWSBKVSA-N 1 1 361.490 1.865 20 30 FDEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)Cn3c(C)cc(C)nc3=O)CCC[C@@H]12 ZINC001107591053 905814350 /nfs/dbraw/zinc/81/43/50/905814350.db2.gz PTZIXARZHLGSJH-YLJYHZDGSA-N 1 1 358.486 1.797 20 30 FDEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCc3scnc3C)C[C@H]2OC)c1 ZINC001082116874 905827104 /nfs/dbraw/zinc/82/71/04/905827104.db2.gz BBOVKKJXEAOODL-IAGOWNOFSA-N 1 1 370.478 1.500 20 30 FDEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ncoc3C3CC3)CCC[C@@H]12 ZINC001107596385 905855441 /nfs/dbraw/zinc/85/54/41/905855441.db2.gz CTHSWVPXUUSWTM-AUUYWEPGSA-N 1 1 371.441 1.166 20 30 FDEDMO N#Cc1ccccc1C[N@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]n3)CCC[C@@H]12 ZINC001107604612 905948484 /nfs/dbraw/zinc/94/84/84/905948484.db2.gz ZIYITIWSLFLUAE-YLJYHZDGSA-N 1 1 364.453 1.780 20 30 FDEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@]2(CNC(=O)Cc3nnc[nH]3)CCC[C@@H]12 ZINC001107604612 905948488 /nfs/dbraw/zinc/94/84/88/905948488.db2.gz ZIYITIWSLFLUAE-YLJYHZDGSA-N 1 1 364.453 1.780 20 30 FDEDMO N#Cc1ccccc1C[N@H+]1CC[C@@]2(CNC(=O)Cc3nnc[nH]3)CCC[C@@H]12 ZINC001107604612 905948496 /nfs/dbraw/zinc/94/84/96/905948496.db2.gz ZIYITIWSLFLUAE-YLJYHZDGSA-N 1 1 364.453 1.780 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@H]1OC ZINC001082146425 905982835 /nfs/dbraw/zinc/98/28/35/905982835.db2.gz DUIZNMATRNWGLO-IZBJGVDFSA-N 1 1 373.497 1.659 20 30 FDEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](C[C@H]3COc4ccccc4O3)C[C@H]2O)C1 ZINC001077643546 906093653 /nfs/dbraw/zinc/09/36/53/906093653.db2.gz FZADZGHYMSUKMW-ARFHVFGLSA-N 1 1 358.438 1.344 20 30 FDEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](C[C@H]3COc4ccccc4O3)C[C@H]2O)C1 ZINC001077643546 906093672 /nfs/dbraw/zinc/09/36/72/906093672.db2.gz FZADZGHYMSUKMW-ARFHVFGLSA-N 1 1 358.438 1.344 20 30 FDEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 ZINC001107627946 906095991 /nfs/dbraw/zinc/09/59/91/906095991.db2.gz JKHPNXHEWHGGTQ-OGHNNQOOSA-N 1 1 368.865 1.088 20 30 FDEDMO CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)Cn1nccc1C ZINC001082189783 906121702 /nfs/dbraw/zinc/12/17/02/906121702.db2.gz NRLCSSVGBAKNJO-QZTJIDSGSA-N 1 1 353.426 1.079 20 30 FDEDMO CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)Cn1nccc1C ZINC001082189783 906121713 /nfs/dbraw/zinc/12/17/13/906121713.db2.gz NRLCSSVGBAKNJO-QZTJIDSGSA-N 1 1 353.426 1.079 20 30 FDEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCCCN1C(N)=O ZINC001080756108 906146760 /nfs/dbraw/zinc/14/67/60/906146760.db2.gz IWELLHRPVDEGBG-QRQLOZEOSA-N 1 1 368.481 1.408 20 30 FDEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCCCN1C(N)=O ZINC001080756108 906146765 /nfs/dbraw/zinc/14/67/65/906146765.db2.gz IWELLHRPVDEGBG-QRQLOZEOSA-N 1 1 368.481 1.408 20 30 FDEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](C[C@H](Cc3ccccc3)OC)C[C@H]2O)C1 ZINC001077643913 906163998 /nfs/dbraw/zinc/16/39/98/906163998.db2.gz LHHFPCHHEJMNRV-IPMKNSEASA-N 1 1 358.482 1.762 20 30 FDEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)COc3ccc(C(N)=O)cc3)CCC[C@@H]12 ZINC001107638839 906186460 /nfs/dbraw/zinc/18/64/60/906186460.db2.gz OTHGWBNPCMQEHC-WIYYLYMNSA-N 1 1 369.465 1.548 20 30 FDEDMO C=CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCc1ccnn1C)CC2 ZINC001107650933 906226932 /nfs/dbraw/zinc/22/69/32/906226932.db2.gz MTFWDTZTMSEQBV-ILZDJORESA-N 1 1 360.502 1.915 20 30 FDEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)CS(C)(=O)=O)CCC[C@@H]12 ZINC001107650860 906227538 /nfs/dbraw/zinc/22/75/38/906227538.db2.gz LMVVWHXCXBWAMF-CRAIPNDOSA-N 1 1 356.532 1.994 20 30 FDEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCCOC(C)C)CCC[C@@H]12 ZINC001107652351 906242414 /nfs/dbraw/zinc/24/24/14/906242414.db2.gz PLHJLGFHHCOEQU-YLJYHZDGSA-N 1 1 365.518 1.855 20 30 FDEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccc(F)s3)CCC[C@@H]12 ZINC001107649160 906280782 /nfs/dbraw/zinc/28/07/82/906280782.db2.gz JQAAYSYPPNAUMF-RDTXWAMCSA-N 1 1 363.458 1.611 20 30 FDEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC(C)C)C(N)=O)CCC[C@@H]12 ZINC001107656482 906299241 /nfs/dbraw/zinc/29/92/41/906299241.db2.gz SMWJYAPKVRADPJ-SQGPQFPESA-N 1 1 363.502 1.145 20 30 FDEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C)c3)C[C@H]2OC)nn1 ZINC001082219121 906323666 /nfs/dbraw/zinc/32/36/66/906323666.db2.gz WBVMDKAIVRRFGE-IEBWSBKVSA-N 1 1 369.469 1.792 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H](O)c3ccccc3F)C[C@H]2C)nc1 ZINC001080810705 906364388 /nfs/dbraw/zinc/36/43/88/906364388.db2.gz ZAPLJSBPGPSKMO-XMCHAPAWSA-N 1 1 367.424 1.986 20 30 FDEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2cn3cccc(C)c3n2)[C@H](OC)C1 ZINC001082238762 906367120 /nfs/dbraw/zinc/36/71/20/906367120.db2.gz JYIXKWPSWZQJEP-QZTJIDSGSA-N 1 1 356.470 1.967 20 30 FDEDMO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1c(C)n[nH]c1C ZINC001082246099 906401924 /nfs/dbraw/zinc/40/19/24/906401924.db2.gz QKPZLOZBQFUFSM-IAGOWNOFSA-N 1 1 353.426 1.527 20 30 FDEDMO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1c(C)n[nH]c1C ZINC001082246099 906401937 /nfs/dbraw/zinc/40/19/37/906401937.db2.gz QKPZLOZBQFUFSM-IAGOWNOFSA-N 1 1 353.426 1.527 20 30 FDEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2csc(-c3nc[nH]n3)n2)[C@H](OC)C1 ZINC001082231252 906435632 /nfs/dbraw/zinc/43/56/32/906435632.db2.gz GDEVLOMVAQGXDS-DGCLKSJQSA-N 1 1 362.459 1.323 20 30 FDEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cncnc3C3CC3)C2)C1=O ZINC001080871928 906535978 /nfs/dbraw/zinc/53/59/78/906535978.db2.gz WPUUJJAKYXFHGR-KBRIMQKVSA-N 1 1 369.469 1.191 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cncnc3C3CC3)C2)C1=O ZINC001080871928 906535994 /nfs/dbraw/zinc/53/59/94/906535994.db2.gz WPUUJJAKYXFHGR-KBRIMQKVSA-N 1 1 369.469 1.191 20 30 FDEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N(C)C1 ZINC001081005366 906924476 /nfs/dbraw/zinc/92/44/76/906924476.db2.gz IDJFWNPZDVPTMB-XJKCOSOUSA-N 1 1 360.483 1.425 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N(C)C1 ZINC001081005366 906924480 /nfs/dbraw/zinc/92/44/80/906924480.db2.gz IDJFWNPZDVPTMB-XJKCOSOUSA-N 1 1 360.483 1.425 20 30 FDEDMO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc1 ZINC001077704992 907013233 /nfs/dbraw/zinc/01/32/33/907013233.db2.gz UMVRHUVGEHSMHX-HDMKZQKVSA-N 1 1 357.454 1.012 20 30 FDEDMO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc1 ZINC001077704992 907013240 /nfs/dbraw/zinc/01/32/40/907013240.db2.gz UMVRHUVGEHSMHX-HDMKZQKVSA-N 1 1 357.454 1.012 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCCN1C(N)=O ZINC001081045264 907098200 /nfs/dbraw/zinc/09/82/00/907098200.db2.gz KANUZTPOFWYBHX-XYPHTWIQSA-N 1 1 355.442 1.038 20 30 FDEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c(c3)CCO4)C2)c1 ZINC001077719139 907158067 /nfs/dbraw/zinc/15/80/67/907158067.db2.gz SJRWYKLYXBPANT-RTBURBONSA-N 1 1 363.417 1.468 20 30 FDEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c(c3)CCO4)C2)c1 ZINC001077719139 907158077 /nfs/dbraw/zinc/15/80/77/907158077.db2.gz SJRWYKLYXBPANT-RTBURBONSA-N 1 1 363.417 1.468 20 30 FDEDMO C[C@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001081098435 907162114 /nfs/dbraw/zinc/16/21/14/907162114.db2.gz BXGCADDWQBUNCW-XOKHGSTOSA-N 1 1 365.441 1.252 20 30 FDEDMO C[C@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2ncnn2CCF)C1 ZINC001081098657 907163964 /nfs/dbraw/zinc/16/39/64/907163964.db2.gz IZOHZAXYPSCQSG-HYVNUMGLSA-N 1 1 370.432 1.491 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C(=O)C(C)C)[C@H](OC)C1 ZINC001082382375 907365339 /nfs/dbraw/zinc/36/53/39/907365339.db2.gz ATSCUYZAFPMZNV-BRWVUGGUSA-N 1 1 351.491 1.415 20 30 FDEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN(C(=O)CCC)C2)[C@H](OC)C1 ZINC001082383134 907374239 /nfs/dbraw/zinc/37/42/39/907374239.db2.gz JVJKMYBMCQYIAV-RCCFBDPRSA-N 1 1 365.518 1.807 20 30 FDEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@H]2c3ccccc3NC2=O)[C@H](OC)C1 ZINC001082394073 907476875 /nfs/dbraw/zinc/47/68/75/907476875.db2.gz TUDVPPJZBVQCLK-CGTJXYLNSA-N 1 1 357.454 1.894 20 30 FDEDMO CC#CC[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@H]2OCC[C@H]2C)C1 ZINC001127898588 907589925 /nfs/dbraw/zinc/58/99/25/907589925.db2.gz UPUZXKRJPALOBN-AYBZRNKSSA-N 1 1 357.454 1.599 20 30 FDEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]Cc1ncnn1C(C)(C)C ZINC001082464237 907897465 /nfs/dbraw/zinc/89/74/65/907897465.db2.gz HHQMWMNGQZHAQY-IUODEOHRSA-N 1 1 355.446 1.483 20 30 FDEDMO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)n1C1CC1 ZINC001082483416 907905441 /nfs/dbraw/zinc/90/54/41/907905441.db2.gz BNBWEDFQVQFORB-BDJLRTHQSA-N 1 1 353.430 1.372 20 30 FDEDMO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]Cc1noc2c1COCC2 ZINC001082484012 907909004 /nfs/dbraw/zinc/90/90/04/907909004.db2.gz ZXLHKJXMTFRGQP-BDJLRTHQSA-N 1 1 355.398 1.197 20 30 FDEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1cn(CC2CC2)nn1 ZINC001082480115 907947514 /nfs/dbraw/zinc/94/75/14/907947514.db2.gz HAFULRCTBFJDKK-SJKOYZFVSA-N 1 1 353.430 1.138 20 30 FDEDMO C[C@H](NC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000921555448 908072118 /nfs/dbraw/zinc/07/21/18/908072118.db2.gz OYGVORVWZOACBC-UAGQMJEPSA-N 1 1 372.473 1.258 20 30 FDEDMO 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ZINC000805047839 938651566 /nfs/dbraw/zinc/65/15/66/938651566.db2.gz DDLKAGWLUBSFQG-OALUTQOASA-N 1 1 369.575 1.999 20 30 FDEDMO C#CCCCS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000805047839 938651568 /nfs/dbraw/zinc/65/15/68/938651568.db2.gz DDLKAGWLUBSFQG-OALUTQOASA-N 1 1 369.575 1.999 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130133741 938708355 /nfs/dbraw/zinc/70/83/55/938708355.db2.gz AUMCRMNDDSVPRO-MSOLQXFVSA-N 1 1 369.856 1.814 20 30 FDEDMO CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#Cc2ccccc2)[nH]1 ZINC001130177621 938725196 /nfs/dbraw/zinc/72/51/96/938725196.db2.gz LJKZPKMYCUKLSL-IRXDYDNUSA-N 1 1 367.453 1.345 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccccc2C)[nH]1 ZINC001130177740 938725569 /nfs/dbraw/zinc/72/55/69/938725569.db2.gz RTWSXBBUSKWFJO-HOTGVXAUSA-N 1 1 353.426 1.138 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccccc2C)n[nH]1 ZINC001130177740 938725571 /nfs/dbraw/zinc/72/55/71/938725571.db2.gz RTWSXBBUSKWFJO-HOTGVXAUSA-N 1 1 353.426 1.138 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccnc2)n1 ZINC001130180006 938727236 /nfs/dbraw/zinc/72/72/36/938727236.db2.gz WIWRLNCAMUWIFM-HOTGVXAUSA-N 1 1 370.457 1.558 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccnc2)n[nH]1 ZINC001130180006 938727238 /nfs/dbraw/zinc/72/72/38/938727238.db2.gz WIWRLNCAMUWIFM-HOTGVXAUSA-N 1 1 370.457 1.558 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ccsc2)n1 ZINC001130181905 938729254 /nfs/dbraw/zinc/72/92/54/938729254.db2.gz WQYCCICBPGBRBO-KBPBESRZSA-N 1 1 361.471 1.373 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2ccsc2)n[nH]1 ZINC001130181905 938729255 /nfs/dbraw/zinc/72/92/55/938729255.db2.gz WQYCCICBPGBRBO-KBPBESRZSA-N 1 1 361.471 1.373 20 30 FDEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COCC)n1 ZINC001130187954 938734525 /nfs/dbraw/zinc/73/45/25/938734525.db2.gz RWMWLKYVJQQILM-ILXRZTDVSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COCC)n[nH]1 ZINC001130187954 938734526 /nfs/dbraw/zinc/73/45/26/938734526.db2.gz RWMWLKYVJQQILM-ILXRZTDVSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ncccc2C)n1 ZINC001130195936 938739161 /nfs/dbraw/zinc/73/91/61/938739161.db2.gz JLALVKSXNDQYSM-KBPBESRZSA-N 1 1 356.430 1.086 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ncccc2C)n[nH]1 ZINC001130195936 938739163 /nfs/dbraw/zinc/73/91/63/938739163.db2.gz JLALVKSXNDQYSM-KBPBESRZSA-N 1 1 356.430 1.086 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cncc(C)c2)n1 ZINC001130196134 938739515 /nfs/dbraw/zinc/73/95/15/938739515.db2.gz UBXUVGDXGLDWBS-GJZGRUSLSA-N 1 1 356.430 1.086 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cncc(C)c2)n[nH]1 ZINC001130196134 938739516 /nfs/dbraw/zinc/73/95/16/938739516.db2.gz UBXUVGDXGLDWBS-GJZGRUSLSA-N 1 1 356.430 1.086 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)=C2CCCC2)[nH]1 ZINC001130198371 938740082 /nfs/dbraw/zinc/74/00/82/938740082.db2.gz INVFJWMCRDIAEG-IRXDYDNUSA-N 1 1 371.485 1.797 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC=CCC2)[nH]1 ZINC001130182973 938741946 /nfs/dbraw/zinc/74/19/46/938741946.db2.gz JLIJGMZCYUDLPY-JYJNAYRXSA-N 1 1 357.458 1.263 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)SC)n1 ZINC001130185119 938744476 /nfs/dbraw/zinc/74/44/76/938744476.db2.gz XOVIRXUHASGIEC-AGIUHOORSA-N 1 1 353.492 1.211 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)SC)n[nH]1 ZINC001130185119 938744478 /nfs/dbraw/zinc/74/44/78/938744478.db2.gz XOVIRXUHASGIEC-AGIUHOORSA-N 1 1 353.492 1.211 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2coc(C)c2)[nH]1 ZINC001130205154 938745929 /nfs/dbraw/zinc/74/59/29/938745929.db2.gz SHRKIBXDZVUJEO-GJZGRUSLSA-N 1 1 357.414 1.122 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC(C)(C)C2)n1 ZINC001130207951 938747299 /nfs/dbraw/zinc/74/72/99/938747299.db2.gz XWKCNJQVOODTTL-GJZGRUSLSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CC(C)(C)C2)n[nH]1 ZINC001130207951 938747300 /nfs/dbraw/zinc/74/73/00/938747300.db2.gz XWKCNJQVOODTTL-GJZGRUSLSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC2(C)C)[nH]1 ZINC001130200546 938754200 /nfs/dbraw/zinc/75/42/00/938754200.db2.gz PMLWDSNNYJIKIA-AVGNSLFASA-N 1 1 367.881 1.682 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2C=CCCC2)[nH]1 ZINC001130221075 938756439 /nfs/dbraw/zinc/75/64/39/938756439.db2.gz SNVZTAWVJYRVTB-JYJNAYRXSA-N 1 1 357.458 1.263 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)C(C)(C)C)[nH]1 ZINC001130225090 938759334 /nfs/dbraw/zinc/75/93/34/938759334.db2.gz RVWVKWJFTCIAAV-KBPBESRZSA-N 1 1 361.490 1.589 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C3CC3)CCC2)[nH]1 ZINC001130229975 938763538 /nfs/dbraw/zinc/76/35/38/938763538.db2.gz KYFWBQUTINYUHN-HOTGVXAUSA-N 1 1 371.485 1.487 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C(C)(F)F)n1 ZINC001130238059 938767337 /nfs/dbraw/zinc/76/73/37/938767337.db2.gz RAXYWGIXLRUBTB-SRVKXCTJSA-N 1 1 357.405 1.360 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)C(C)(F)F)n[nH]1 ZINC001130238059 938767340 /nfs/dbraw/zinc/76/73/40/938767340.db2.gz RAXYWGIXLRUBTB-SRVKXCTJSA-N 1 1 357.405 1.360 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CF)CCC2)n1 ZINC001130238183 938767731 /nfs/dbraw/zinc/76/77/31/938767731.db2.gz XTLZRHYYXQDDDL-STQMWFEESA-N 1 1 351.426 1.209 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(CF)CCC2)n[nH]1 ZINC001130238183 938767733 /nfs/dbraw/zinc/76/77/33/938767733.db2.gz XTLZRHYYXQDDDL-STQMWFEESA-N 1 1 351.426 1.209 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC23CCCC3)n1 ZINC001130244163 938770272 /nfs/dbraw/zinc/77/02/72/938770272.db2.gz CGRCBPYSVHAZIJ-KKUMJFAQSA-N 1 1 359.474 1.649 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC23CCCC3)n[nH]1 ZINC001130244163 938770274 /nfs/dbraw/zinc/77/02/74/938770274.db2.gz CGRCBPYSVHAZIJ-KKUMJFAQSA-N 1 1 359.474 1.649 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)C2CCCC2)[nH]1 ZINC001130246342 938771873 /nfs/dbraw/zinc/77/18/73/938771873.db2.gz GREMWPDGWMDHBK-BPUTZDHNSA-N 1 1 359.474 1.343 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)c2cccnc2)n1 ZINC001130249162 938773464 /nfs/dbraw/zinc/77/34/64/938773464.db2.gz MWQZQEGCTZRRRS-BPUTZDHNSA-N 1 1 370.457 1.268 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)c2cccnc2)n[nH]1 ZINC001130249162 938773467 /nfs/dbraw/zinc/77/34/67/938773467.db2.gz MWQZQEGCTZRRRS-BPUTZDHNSA-N 1 1 370.457 1.268 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(Cl)no2)n1 ZINC001130249225 938773646 /nfs/dbraw/zinc/77/36/46/938773646.db2.gz QLBJELOUHSZEBW-ONGXEEELSA-N 1 1 366.809 1.024 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(Cl)no2)n[nH]1 ZINC001130249225 938773648 /nfs/dbraw/zinc/77/36/48/938773648.db2.gz QLBJELOUHSZEBW-ONGXEEELSA-N 1 1 366.809 1.024 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ccc[nH]2)n1 ZINC001130251160 938774320 /nfs/dbraw/zinc/77/43/20/938774320.db2.gz FSGFUISLKCYLDE-GJZGRUSLSA-N 1 1 358.446 1.030 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2ccc[nH]2)n[nH]1 ZINC001130251160 938774322 /nfs/dbraw/zinc/77/43/22/938774322.db2.gz FSGFUISLKCYLDE-GJZGRUSLSA-N 1 1 358.446 1.030 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccoc2C(C)C)[nH]1 ZINC001130253846 938775505 /nfs/dbraw/zinc/77/55/05/938775505.db2.gz SEUNXYIXAXRMJP-ZFWWWQNUSA-N 1 1 371.441 1.546 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccoc2C(C)C)n[nH]1 ZINC001130253846 938775507 /nfs/dbraw/zinc/77/55/07/938775507.db2.gz SEUNXYIXAXRMJP-ZFWWWQNUSA-N 1 1 371.441 1.546 20 30 FDEDMO C=C(Cl)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)OCC)CC1 ZINC001130276461 938787317 /nfs/dbraw/zinc/78/73/17/938787317.db2.gz BFWSZZPBDALAFM-UNEWFSDZSA-N 1 1 371.909 1.639 20 30 FDEDMO C=C(Cl)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H](C)OC)CC1 ZINC001130285114 938789895 /nfs/dbraw/zinc/78/98/95/938789895.db2.gz APIGOEWYHJNAKA-SIIHOXLZSA-N 1 1 371.909 1.639 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2(CCOC)CC2)C[C@H]1c1cn(C)cn1 ZINC001130607651 939919399 /nfs/dbraw/zinc/91/93/99/939919399.db2.gz HFTSLQXOFKTCDU-GOEBONIOSA-N 1 1 366.893 1.873 20 30 FDEDMO CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001130644375 939952432 /nfs/dbraw/zinc/95/24/32/939952432.db2.gz OYIZNJPDWLRYSN-DOTOQJQBSA-N 1 1 369.473 1.124 20 30 FDEDMO C=CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@H]1c1cn(C)cn1 ZINC001130712866 939999783 /nfs/dbraw/zinc/99/97/83/939999783.db2.gz OYIGPFASSNENQV-DOTOQJQBSA-N 1 1 370.501 1.971 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCC3CCCC3)n[nH]2)O1 ZINC001130753236 940062837 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CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001090328500 901713796 /nfs/dbraw/zinc/71/37/96/901713796.db2.gz JOANNIKUXLMVNI-FUHWJXTLSA-N 1 1 370.501 1.897 20 30 FDEDMO C=CCC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001065160991 901889867 /nfs/dbraw/zinc/88/98/67/901889867.db2.gz JWQHCYFQQBPTLS-OWCLPIDISA-N 1 1 351.491 1.273 20 30 FDEDMO N#Cc1ccc(N2CC[C@@H]([NH+]3CCN(C(=O)[C@@H]4C[C@H]4C4CC4)CC3)C2)cn1 ZINC001065198258 901907256 /nfs/dbraw/zinc/90/72/56/901907256.db2.gz NFIIAWFVDHVELR-HSALFYBXSA-N 1 1 365.481 1.722 20 30 FDEDMO C=C(C)CN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001079129761 901936277 /nfs/dbraw/zinc/93/62/77/901936277.db2.gz FPATVWGQEQKTIB-VAMGGRTRSA-N 1 1 357.498 1.731 20 30 FDEDMO C#CCCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2CC[NH+](C)CC2)C1 ZINC001079142731 901950878 /nfs/dbraw/zinc/95/08/78/901950878.db2.gz QXMGBSVGGLPEDF-NHCUHLMSSA-N 1 1 369.509 1.425 20 30 FDEDMO 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ZINC001189439356 966991113 /nfs/dbraw/zinc/99/11/13/966991113.db2.gz OLRXTLFXLJRDPG-WCQYABFASA-N 1 1 369.263 1.521 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3n[nH]cc3Br)[C@@H]2C1 ZINC001189439356 966991114 /nfs/dbraw/zinc/99/11/14/966991114.db2.gz OLRXTLFXLJRDPG-WCQYABFASA-N 1 1 369.263 1.521 20 30 FDEDMO COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4[nH]c(C)nc4c3)[C@@H]2C1 ZINC001189544297 967034437 /nfs/dbraw/zinc/03/44/37/967034437.db2.gz ODJSVKULWUWSAT-QFBILLFUSA-N 1 1 352.438 1.667 20 30 FDEDMO COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4[nH]c(C)nc4c3)[C@@H]2C1 ZINC001189544297 967034441 /nfs/dbraw/zinc/03/44/41/967034441.db2.gz ODJSVKULWUWSAT-QFBILLFUSA-N 1 1 352.438 1.667 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(CCC)on3)[C@@H]2C1 ZINC001189598098 967067991 /nfs/dbraw/zinc/06/79/91/967067991.db2.gz OOCMALFPJPXTOW-JKIFEVAISA-N 1 1 360.458 1.464 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cc(CCC)on3)[C@@H]2C1 ZINC001189598098 967068003 /nfs/dbraw/zinc/06/80/03/967068003.db2.gz OOCMALFPJPXTOW-JKIFEVAISA-N 1 1 360.458 1.464 20 30 FDEDMO C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cncn4)n3)[C@@H]2C1 ZINC001189590419 967092532 /nfs/dbraw/zinc/09/25/32/967092532.db2.gz IZKCKGKWHYASAW-DOTOQJQBSA-N 1 1 352.442 1.775 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]ccc1C1CC1)C2 ZINC001110644595 967115392 /nfs/dbraw/zinc/11/53/92/967115392.db2.gz RZQVGTMYVMGLPL-WNOSKKOXSA-N 1 1 356.470 1.918 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]ccc1C1CC1)C2 ZINC001110644595 967115397 /nfs/dbraw/zinc/11/53/97/967115397.db2.gz RZQVGTMYVMGLPL-WNOSKKOXSA-N 1 1 356.470 1.918 20 30 FDEDMO CC[C@@H](C)n1ncc(C(=O)N2CC[C@H]3C[N@H+](CC#CCOC)C[C@H]32)c1C ZINC001189701259 967196631 /nfs/dbraw/zinc/19/66/31/967196631.db2.gz XTIBHUMGKMRMFC-HHXXYDBFSA-N 1 1 358.486 1.959 20 30 FDEDMO CC[C@@H](C)n1ncc(C(=O)N2CC[C@H]3C[N@@H+](CC#CCOC)C[C@H]32)c1C ZINC001189701259 967196639 /nfs/dbraw/zinc/19/66/39/967196639.db2.gz XTIBHUMGKMRMFC-HHXXYDBFSA-N 1 1 358.486 1.959 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(N4CCCC4)nn3)[C@@H]2C1 ZINC001189748164 967219902 /nfs/dbraw/zinc/21/99/02/967219902.db2.gz CPPIKGIULZFXTD-FUHWJXTLSA-N 1 1 371.485 1.426 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(C(C)C)c3)[C@@H]2C1 ZINC001189756071 967230819 /nfs/dbraw/zinc/23/08/19/967230819.db2.gz SOXIQSCGAGUAOQ-HLLBOEOZSA-N 1 1 359.474 1.301 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(C(C)C)c3)[C@@H]2C1 ZINC001189756071 967230829 /nfs/dbraw/zinc/23/08/29/967230829.db2.gz SOXIQSCGAGUAOQ-HLLBOEOZSA-N 1 1 359.474 1.301 20 30 FDEDMO C#CCC[NH+]1CCN(CC(=O)N(C)Cc2cccc(OC)c2OC)CC1 ZINC000776593558 967279791 /nfs/dbraw/zinc/27/97/91/967279791.db2.gz LINVWBMEDOEGPL-UHFFFAOYSA-N 1 1 359.470 1.303 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H](CC)CC3)[C@@H]2C1 ZINC001189865951 967317257 /nfs/dbraw/zinc/31/72/57/967317257.db2.gz SYXZVUISXSFMAX-VPAKFMSCSA-N 1 1 359.514 1.873 20 30 FDEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H](CC)CC3)[C@@H]2C1 ZINC001189865951 967317266 /nfs/dbraw/zinc/31/72/66/967317266.db2.gz SYXZVUISXSFMAX-VPAKFMSCSA-N 1 1 359.514 1.873 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H](CC)CC3)[C@@H]2C1 ZINC001189865948 967317339 /nfs/dbraw/zinc/31/73/39/967317339.db2.gz SYXZVUISXSFMAX-IEWDOMPSSA-N 1 1 359.514 1.873 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H](CC)CC3)[C@@H]2C1 ZINC001189865948 967317353 /nfs/dbraw/zinc/31/73/53/967317353.db2.gz SYXZVUISXSFMAX-IEWDOMPSSA-N 1 1 359.514 1.873 20 30 FDEDMO CCCNC(=O)CCC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001189842902 967342114 /nfs/dbraw/zinc/34/21/14/967342114.db2.gz CZEVSOPTJKIMBL-RBUKOAKNSA-N 1 1 368.481 1.897 20 30 FDEDMO CCCNC(=O)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001189842902 967342126 /nfs/dbraw/zinc/34/21/26/967342126.db2.gz CZEVSOPTJKIMBL-RBUKOAKNSA-N 1 1 368.481 1.897 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N[C@@H](C)CCC)C[C@H]32)cn1 ZINC001189851184 967351687 /nfs/dbraw/zinc/35/16/87/967351687.db2.gz FWPYHGDWGWNMOX-VDZJLULYSA-N 1 1 368.481 1.514 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)N[C@@H](C)CCC)C[C@H]32)cn1 ZINC001189851184 967351692 /nfs/dbraw/zinc/35/16/92/967351692.db2.gz FWPYHGDWGWNMOX-VDZJLULYSA-N 1 1 368.481 1.514 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)C(=O)N(CC)CC)C[C@H]32)cn1 ZINC001189851707 967353708 /nfs/dbraw/zinc/35/37/08/967353708.db2.gz NXRXBZCMYHQMHC-HHXXYDBFSA-N 1 1 368.481 1.466 20 30 FDEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4ccccc4c3)[C@@H]2C1 ZINC001189930841 967384554 /nfs/dbraw/zinc/38/45/54/967384554.db2.gz IBVARJHZIGDUBQ-VQTJNVASSA-N 1 1 361.445 1.736 20 30 FDEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4ccccc4c3)[C@@H]2C1 ZINC001189930841 967384562 /nfs/dbraw/zinc/38/45/62/967384562.db2.gz IBVARJHZIGDUBQ-VQTJNVASSA-N 1 1 361.445 1.736 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3occ4c3CCCC4)[C@@H]2C1 ZINC001189936915 967437365 /nfs/dbraw/zinc/43/73/65/967437365.db2.gz NUUWQCWWPZGFBU-RVKKMQEKSA-N 1 1 371.481 1.995 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3occ4c3CCCC4)[C@@H]2C1 ZINC001189936915 967437374 /nfs/dbraw/zinc/43/73/74/967437374.db2.gz NUUWQCWWPZGFBU-RVKKMQEKSA-N 1 1 371.481 1.995 20 30 FDEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCCCC)C[C@H]21 ZINC001189942596 967444819 /nfs/dbraw/zinc/44/48/19/967444819.db2.gz UOLNRTUVVHRRMZ-VQTJNVASSA-N 1 1 367.493 1.659 20 30 FDEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCCCC)C[C@H]21 ZINC001189942596 967444829 /nfs/dbraw/zinc/44/48/29/967444829.db2.gz UOLNRTUVVHRRMZ-VQTJNVASSA-N 1 1 367.493 1.659 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2COC(=O)C2)C3)s1 ZINC001095312565 967533647 /nfs/dbraw/zinc/53/36/47/967533647.db2.gz DBQWVYDPVYRFLX-MPTQWLOMSA-N 1 1 359.451 1.794 20 30 FDEDMO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2COC(=O)C2)C3)s1 ZINC001095312565 967533661 /nfs/dbraw/zinc/53/36/61/967533661.db2.gz DBQWVYDPVYRFLX-MPTQWLOMSA-N 1 1 359.451 1.794 20 30 FDEDMO COC(=O)C1(C#N)CCN(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000852701138 967544675 /nfs/dbraw/zinc/54/46/75/967544675.db2.gz MVHYRCUMFIMVKS-KRWDZBQOSA-N 1 1 370.453 1.749 20 30 FDEDMO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3sc(C)nc3C)[C@@H]2C1 ZINC001190082962 967549625 /nfs/dbraw/zinc/54/96/25/967549625.db2.gz YRXHZPVRVMBBCA-AEGPPILISA-N 1 1 362.499 1.597 20 30 FDEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3sc(C)nc3C)[C@@H]2C1 ZINC001190082962 967549626 /nfs/dbraw/zinc/54/96/26/967549626.db2.gz YRXHZPVRVMBBCA-AEGPPILISA-N 1 1 362.499 1.597 20 30 FDEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOC[C@H]2CCCCO2)c1 ZINC001110423483 967633920 /nfs/dbraw/zinc/63/39/20/967633920.db2.gz OYLYLCMUQDISMV-MTNOOBJLSA-N 1 1 372.469 1.807 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)N(CC)C2CC2)C1 ZINC001190229615 967644469 /nfs/dbraw/zinc/64/44/69/967644469.db2.gz JRUHRRYLVTVWQH-KURKYZTESA-N 1 1 363.502 1.511 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(=O)N(CC)C2CC2)C1 ZINC001190229615 967644470 /nfs/dbraw/zinc/64/44/70/967644470.db2.gz JRUHRRYLVTVWQH-KURKYZTESA-N 1 1 363.502 1.511 20 30 FDEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c4ncccc34)[C@@H]2C1 ZINC001190204012 967658203 /nfs/dbraw/zinc/65/82/03/967658203.db2.gz MYDYIZSETUEVMY-GRDNDAEWSA-N 1 1 367.453 1.400 20 30 FDEDMO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ncc4n3CCCC4)[C@@H]2C1 ZINC001190241226 967689616 /nfs/dbraw/zinc/68/96/16/967689616.db2.gz SFIJOOYYYDDRAU-YQQAZPJKSA-N 1 1 371.485 1.056 20 30 FDEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ncc4n3CCCC4)[C@@H]2C1 ZINC001190241226 967689622 /nfs/dbraw/zinc/68/96/22/967689622.db2.gz SFIJOOYYYDDRAU-YQQAZPJKSA-N 1 1 371.485 1.056 20 30 FDEDMO CC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC#Cc3ccccc3)[C@@H]2C1 ZINC001190305517 967721113 /nfs/dbraw/zinc/72/11/13/967721113.db2.gz RPPJQFCKSYDNDZ-RBUKOAKNSA-N 1 1 367.493 1.876 20 30 FDEDMO CC(C)(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC#Cc3ccccc3)[C@@H]2C1 ZINC001190305517 967721121 /nfs/dbraw/zinc/72/11/21/967721121.db2.gz RPPJQFCKSYDNDZ-RBUKOAKNSA-N 1 1 367.493 1.876 20 30 FDEDMO C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCS(=O)(=O)N(C)C)[C@@H]2C1 ZINC001190312508 967725669 /nfs/dbraw/zinc/72/56/69/967725669.db2.gz WTNZBEKOPYIVFB-DLBZAZTESA-N 1 1 371.547 1.547 20 30 FDEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C=C)c3ccccc3)[C@@H]2C1 ZINC001190282600 967736029 /nfs/dbraw/zinc/73/60/29/967736029.db2.gz UBEDACHFFIMPQP-GBESFXJTSA-N 1 1 353.466 1.791 20 30 FDEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C=C)c3ccccc3)[C@@H]2C1 ZINC001190282600 967736034 /nfs/dbraw/zinc/73/60/34/967736034.db2.gz UBEDACHFFIMPQP-GBESFXJTSA-N 1 1 353.466 1.791 20 30 FDEDMO 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C#CCC1(C(=O)N2C[C@@H]([NH2+]Cc3ccns3)[C@@H](n3ccnn3)C2)CCC1 ZINC001129894314 938555443 /nfs/dbraw/zinc/55/54/43/938555443.db2.gz AFIHMSVZFMQGEF-CVEARBPZSA-N 1 1 370.482 1.470 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)c2[nH]nc3ccc(C)cc32)C[C@@H]1n1ccnn1 ZINC001129924600 938570246 /nfs/dbraw/zinc/57/02/46/938570246.db2.gz BVGONOCDOQNKCQ-SJORKVTESA-N 1 1 365.441 1.694 20 30 FDEDMO C=C(C[NH+](C)C)C(=O)Nc1cc(S(C)(=O)=O)ccc1OCCOC ZINC000804826934 938588848 /nfs/dbraw/zinc/58/88/48/938588848.db2.gz ISEMFUONCMXMGY-UHFFFAOYSA-N 1 1 356.444 1.172 20 30 FDEDMO C#CC[C@H](Cc1ccccc1)NC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000804910478 938603909 /nfs/dbraw/zinc/60/39/09/938603909.db2.gz BTTGRBZMICUPPG-HXUWFJFHSA-N 1 1 356.514 1.948 20 30 FDEDMO C#CC[C@H](Cc1ccccc1)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000805073620 938667947 /nfs/dbraw/zinc/66/79/47/938667947.db2.gz QAXSLGOZDUNYRA-RBUKOAKNSA-N 1 1 370.497 1.508 20 30 FDEDMO C=CCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C/C=C/Cl)n[nH]1 ZINC001130193114 938737874 /nfs/dbraw/zinc/73/78/74/938737874.db2.gz JBPFNJVJWDAOAN-YUZRODSESA-N 1 1 353.854 1.602 20 30 FDEDMO C=CCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C/C=C/Cl)n1 ZINC001130193114 938737876 /nfs/dbraw/zinc/73/78/76/938737876.db2.gz JBPFNJVJWDAOAN-YUZRODSESA-N 1 1 353.854 1.602 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ocnc2C)n1 ZINC001130198685 938740975 /nfs/dbraw/zinc/74/09/75/938740975.db2.gz VOYGUNSDPPYZEK-STQMWFEESA-N 1 1 360.418 1.069 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ocnc2C)n[nH]1 ZINC001130198685 938740977 /nfs/dbraw/zinc/74/09/77/938740977.db2.gz VOYGUNSDPPYZEK-STQMWFEESA-N 1 1 360.418 1.069 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2occc2C)n1 ZINC001130182784 938741494 /nfs/dbraw/zinc/74/14/94/938741494.db2.gz BMDKHEHSSGFBEW-KBPBESRZSA-N 1 1 359.430 1.674 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2occc2C)n[nH]1 ZINC001130182784 938741496 /nfs/dbraw/zinc/74/14/96/938741496.db2.gz BMDKHEHSSGFBEW-KBPBESRZSA-N 1 1 359.430 1.674 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[nH]1 ZINC001130209625 938747565 /nfs/dbraw/zinc/74/75/65/938747565.db2.gz HTYJSAIEZIOZEP-HMDCTGQHSA-N 1 1 369.469 1.119 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC(C)=C(C)C2)[nH]1 ZINC001130213130 938750272 /nfs/dbraw/zinc/75/02/72/938750272.db2.gz VFVXPQDLFCCPNW-IKGGRYGDSA-N 1 1 371.485 1.653 20 30 FDEDMO C=C(C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C/C=C\Cl)n[nH]1 ZINC001130215946 938752350 /nfs/dbraw/zinc/75/23/50/938752350.db2.gz JHEBOZXRHQVKKH-ALKAVYSUSA-N 1 1 367.881 1.992 20 30 FDEDMO C=C(C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C/C=C\Cl)n1 ZINC001130215946 938752351 /nfs/dbraw/zinc/75/23/51/938752351.db2.gz JHEBOZXRHQVKKH-ALKAVYSUSA-N 1 1 367.881 1.992 20 30 FDEDMO C#CCC1(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCC=C)n[nH]2)CCC1 ZINC001130216374 938752820 /nfs/dbraw/zinc/75/28/20/938752820.db2.gz VFZDZLOQPNRGQK-HOTGVXAUSA-N 1 1 371.485 1.653 20 30 FDEDMO C#CCC1(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCC=C)n2)CCC1 ZINC001130216374 938752821 /nfs/dbraw/zinc/75/28/21/938752821.db2.gz VFZDZLOQPNRGQK-HOTGVXAUSA-N 1 1 371.485 1.653 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](C)SC)[nH]1 ZINC001130200232 938753791 /nfs/dbraw/zinc/75/37/91/938753791.db2.gz DRJPJMDEKAWAEN-IHRRRGAJSA-N 1 1 365.503 1.048 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CO[C@@H](C)CC)n1 ZINC001130200581 938754340 /nfs/dbraw/zinc/75/43/40/938754340.db2.gz RPRFQCRVAGATMA-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CO[C@@H](C)CC)n[nH]1 ZINC001130200581 938754342 /nfs/dbraw/zinc/75/43/42/938754342.db2.gz RPRFQCRVAGATMA-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2CCC)n1 ZINC001130239911 938756149 /nfs/dbraw/zinc/75/61/49/938756149.db2.gz CVHQVQYWEIZMRW-QXSJWSMHSA-N 1 1 361.490 1.895 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]2CCC)n[nH]1 ZINC001130239911 938756150 /nfs/dbraw/zinc/75/61/50/938756150.db2.gz CVHQVQYWEIZMRW-QXSJWSMHSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)cc(C)n2)n1 ZINC001130221146 938756768 /nfs/dbraw/zinc/75/67/68/938756768.db2.gz WUOQIHVIAQAIJG-HOCLYGCPSA-N 1 1 370.457 1.395 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)cc(C)n2)n[nH]1 ZINC001130221146 938756770 /nfs/dbraw/zinc/75/67/70/938756770.db2.gz WUOQIHVIAQAIJG-HOCLYGCPSA-N 1 1 370.457 1.395 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCC23CC3)n1 ZINC001130221161 938756832 /nfs/dbraw/zinc/75/68/32/938756832.db2.gz XMYPNEDCZAJTEP-KKUMJFAQSA-N 1 1 359.474 1.649 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CCCC23CC3)n[nH]1 ZINC001130221161 938756833 /nfs/dbraw/zinc/75/68/33/938756833.db2.gz XMYPNEDCZAJTEP-KKUMJFAQSA-N 1 1 359.474 1.649 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c(C)oc(C)c2C)[nH]1 ZINC001130223481 938757436 /nfs/dbraw/zinc/75/74/36/938757436.db2.gz WKOMSKCOXVJXTA-GJZGRUSLSA-N 1 1 371.441 1.348 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c(C)oc(C)c2C)n[nH]1 ZINC001130223481 938757437 /nfs/dbraw/zinc/75/74/37/938757437.db2.gz WKOMSKCOXVJXTA-GJZGRUSLSA-N 1 1 371.441 1.348 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2C[C@H]2C2CC2)[nH]1 ZINC001130227660 938761674 /nfs/dbraw/zinc/76/16/74/938761674.db2.gz JGDLJDFZYCTVAW-QAETUUGQSA-N 1 1 371.485 1.343 20 30 FDEDMO COc1cc(C#N)ccc1OCCOC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000805521550 938765219 /nfs/dbraw/zinc/76/52/19/938765219.db2.gz RKNZNEFDDUKZQQ-CQSZACIVSA-N 1 1 350.440 1.926 20 30 FDEDMO COc1cc(C#N)ccc1OCCOC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000805521550 938765220 /nfs/dbraw/zinc/76/52/20/938765220.db2.gz RKNZNEFDDUKZQQ-CQSZACIVSA-N 1 1 350.440 1.926 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@](C)(C=C)CC)n1 ZINC001130234646 938765993 /nfs/dbraw/zinc/76/59/93/938765993.db2.gz GCHOYGCFXGGTQS-DOXZYTNZSA-N 1 1 359.474 1.509 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@](C)(C=C)CC)n[nH]1 ZINC001130234646 938765994 /nfs/dbraw/zinc/76/59/94/938765994.db2.gz GCHOYGCFXGGTQS-DOXZYTNZSA-N 1 1 359.474 1.509 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C(C)(F)F)n1 ZINC001130237808 938767112 /nfs/dbraw/zinc/76/71/12/938767112.db2.gz FOXSBCKQARNAPN-AVGNSLFASA-N 1 1 371.432 1.750 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)C(C)(F)F)n[nH]1 ZINC001130237808 938767115 /nfs/dbraw/zinc/76/71/15/938767115.db2.gz FOXSBCKQARNAPN-AVGNSLFASA-N 1 1 371.432 1.750 20 30 FDEDMO C=CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)OC)n[nH]1 ZINC001130237779 938767167 /nfs/dbraw/zinc/76/71/67/938767167.db2.gz DMNDTNGZIQJMOJ-ILXRZTDVSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)OC)n1 ZINC001130237779 938767169 /nfs/dbraw/zinc/76/71/69/938767169.db2.gz DMNDTNGZIQJMOJ-ILXRZTDVSA-N 1 1 365.478 1.274 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ccco2)n1 ZINC001130246393 938771884 /nfs/dbraw/zinc/77/18/84/938771884.db2.gz JEHJAZBEAODXEH-GJZGRUSLSA-N 1 1 359.430 1.295 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2ccco2)n[nH]1 ZINC001130246393 938771885 /nfs/dbraw/zinc/77/18/85/938771885.db2.gz JEHJAZBEAODXEH-GJZGRUSLSA-N 1 1 359.430 1.295 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[C@H](C)CC2)[nH]1 ZINC001130247203 938772387 /nfs/dbraw/zinc/77/23/87/938772387.db2.gz YGTFBWCMJOUVBV-VGWMRTNUSA-N 1 1 359.474 1.343 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C)CC(C)C)[nH]1 ZINC001130248945 938773234 /nfs/dbraw/zinc/77/32/34/938773234.db2.gz BJMLGYJQAQCZHA-JYJNAYRXSA-N 1 1 361.490 1.589 20 30 FDEDMO C=C(Cl)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCF)CC1 ZINC001130295944 938798459 /nfs/dbraw/zinc/79/84/59/938798459.db2.gz YXXZIODGKCKWAJ-PBHICJAKSA-N 1 1 359.873 1.964 20 30 FDEDMO C=C[C@@](C)(O)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=C)Cl)C1 ZINC001130573974 939874487 /nfs/dbraw/zinc/87/44/87/939874487.db2.gz IYSRIACFLJEYQS-YSVLISHTSA-N 1 1 352.866 1.384 20 30 FDEDMO CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccon2)C1 ZINC001130644241 939952614 /nfs/dbraw/zinc/95/26/14/939952614.db2.gz LHMQUVQMTAMSRN-FUHWJXTLSA-N 1 1 355.442 1.686 20 30 FDEDMO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(CC)n2)C[C@H]1O ZINC001090490816 939972385 /nfs/dbraw/zinc/97/23/85/939972385.db2.gz YLABHKPIESJEFG-CHWSQXEVSA-N 1 1 352.866 1.792 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCOCCOC)C[C@H]1c1cn(C)cn1 ZINC001130737012 940038273 /nfs/dbraw/zinc/03/82/73/940038273.db2.gz UOTFXCRPAHMMHT-GOEBONIOSA-N 1 1 370.881 1.110 20 30 FDEDMO C=C(C)[C@@H](CC(=O)N[C@@H]1CN(c2cc(CC)[nH+]c(C)n2)C[C@H]1O)OCC ZINC001090493313 940038322 /nfs/dbraw/zinc/03/83/22/940038322.db2.gz NZVMQCXOGMNWOQ-BRWVUGGUSA-N 1 1 362.474 1.384 20 30 FDEDMO C=CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=C)Cl)C1 ZINC001130741638 940039181 /nfs/dbraw/zinc/03/91/81/940039181.db2.gz LMLLOVQTVWSWOE-OFQRWUPVSA-N 1 1 352.866 1.648 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3sccc3C)n[nH]2)O1 ZINC001130747173 940052521 /nfs/dbraw/zinc/05/25/21/940052521.db2.gz REXJMSANFHDZKI-QWHCGFSZSA-N 1 1 359.455 1.548 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(F)cc3)n[nH]2)O1 ZINC001130749811 940057686 /nfs/dbraw/zinc/05/76/86/940057686.db2.gz ROPNEZSCGKBANJ-JKSUJKDBSA-N 1 1 371.416 1.707 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccs3)n[nH]2)O1 ZINC001130753067 940061915 /nfs/dbraw/zinc/06/19/15/940061915.db2.gz PBFLOUPIPSGUFD-QWHCGFSZSA-N 1 1 359.455 1.629 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](CC)OC)n[nH]2)O1 ZINC001130761643 940067340 /nfs/dbraw/zinc/06/73/40/940067340.db2.gz FIXHNOGKAPHSGR-RRFJBIMHSA-N 1 1 365.478 1.622 20 30 FDEDMO C=CCCO[C@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCC)O2)n1 ZINC001130761853 940068149 /nfs/dbraw/zinc/06/81/49/940068149.db2.gz HQSDPUUZDXOYNK-QLFBSQMISA-N 1 1 365.478 1.622 20 30 FDEDMO C=CCCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC)O2)n1 ZINC001130762403 940070532 /nfs/dbraw/zinc/07/05/32/940070532.db2.gz USUGMAUBASLNEL-MELADBBJSA-N 1 1 351.451 1.232 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)oc3C)n[nH]2)O1 ZINC001130756433 940078970 /nfs/dbraw/zinc/07/89/70/940078970.db2.gz GYHCMLCHJJMAIB-GOEBONIOSA-N 1 1 371.441 1.778 20 30 FDEDMO CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C#N)[nH]3)n[nH]2)O1 ZINC001130775144 940091932 /nfs/dbraw/zinc/09/19/32/940091932.db2.gz MDEDSZIJRAAAGO-DZGCQCFKSA-N 1 1 371.445 1.544 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)SC)n[nH]2)O1 ZINC001130767201 940099921 /nfs/dbraw/zinc/09/99/21/940099921.db2.gz CIVZEKSTZFFWKX-FRRDWIJNSA-N 1 1 353.492 1.558 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnc(C)[nH]3)n[nH]2)O1 ZINC001130772402 940112410 /nfs/dbraw/zinc/11/24/10/940112410.db2.gz LFHRYMFCBPGKGP-GXTWGEPZSA-N 1 1 359.434 1.152 20 30 FDEDMO C#CCO[C@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCC)O2)n1 ZINC001130785492 940120121 /nfs/dbraw/zinc/12/01/21/940120121.db2.gz QIVNGNFTUPXPSK-QLFBSQMISA-N 1 1 363.462 1.069 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ncc[nH]3)n[nH]2)O1 ZINC001130781069 940135541 /nfs/dbraw/zinc/13/55/41/940135541.db2.gz NGWXSVNRUBWRHI-QWHCGFSZSA-N 1 1 359.434 1.234 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CC(C)(C)C3)n[nH]2)O1 ZINC001130780985 940135820 /nfs/dbraw/zinc/13/58/20/940135820.db2.gz JHKNKJDELQNSRS-LSDHHAIUSA-N 1 1 359.474 1.690 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3nccc(C)n3)n[nH]2)O1 ZINC001130783470 940142945 /nfs/dbraw/zinc/14/29/45/940142945.db2.gz ZLKOKVFOXUYILH-UONOGXRCSA-N 1 1 371.445 1.219 20 30 FDEDMO C=C[C@H](CC)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n1 ZINC001130796075 940149149 /nfs/dbraw/zinc/14/91/49/940149149.db2.gz HCPCPTUXMFWSMQ-OWCLPIDISA-N 1 1 359.474 1.856 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3[nH]c(C)cc3C)n[nH]2)O1 ZINC001130789962 940161660 /nfs/dbraw/zinc/16/16/60/940161660.db2.gz AGVIUOSNQWLORO-UONOGXRCSA-N 1 1 356.430 1.123 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cncc(CC)c3)n[nH]2)O1 ZINC001130792563 940170526 /nfs/dbraw/zinc/17/05/26/940170526.db2.gz KMFWMZZQQLWFND-JKSUJKDBSA-N 1 1 370.457 1.688 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C=C)cc3)n[nH]2)O1 ZINC001130806927 940181521 /nfs/dbraw/zinc/18/15/21/940181521.db2.gz NECZGBPWTODDFF-DLBZAZTESA-N 1 1 365.437 1.821 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3OCC[C@H]3C)n[nH]2)O1 ZINC001130809192 940186408 /nfs/dbraw/zinc/18/64/08/940186408.db2.gz LQJQPBCTEHTSLO-CTASWTNQSA-N 1 1 363.462 1.232 20 30 FDEDMO 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352.394 1.542 20 30 FDEDMO Cn1cc(I)c(C[NH2+]C[C@@H](O)CC2(C#N)CC2)n1 ZINC000600734507 553309004 /nfs/dbraw/zinc/30/90/04/553309004.db2.gz CRMNWOUOWRKSDE-VIFPVBQESA-N 1 1 360.199 1.169 20 30 FDEDMO Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000601304884 553372114 /nfs/dbraw/zinc/37/21/14/553372114.db2.gz QOCFBIGOYAAOHC-UHFFFAOYSA-N 1 1 368.478 1.312 20 30 FDEDMO C[NH+](C)C1(CS(=O)(=O)N2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000601306596 553372398 /nfs/dbraw/zinc/37/23/98/553372398.db2.gz MGMDXFJZMGTEMG-UHFFFAOYSA-N 1 1 362.499 1.494 20 30 FDEDMO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3c(C)cc(F)cc3C#N)[C@H]2C1 ZINC000601421841 553401383 /nfs/dbraw/zinc/40/13/83/553401383.db2.gz LPXJNQRVEYTEJN-JKSUJKDBSA-N 1 1 367.446 1.490 20 30 FDEDMO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3c(C)cc(F)cc3C#N)[C@H]2C1 ZINC000601421841 553401385 /nfs/dbraw/zinc/40/13/85/553401385.db2.gz LPXJNQRVEYTEJN-JKSUJKDBSA-N 1 1 367.446 1.490 20 30 FDEDMO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000601482593 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CN(C)C(=O)Nc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000481708800 568091082 /nfs/dbraw/zinc/09/10/82/568091082.db2.gz CGTWWHNXQDHAIZ-QGZVFWFLSA-N 1 1 351.410 1.968 20 30 FDEDMO C#CCC[NH+]1CCN(CC(=O)Nc2sc(C)c(C)c2C(=O)OC)CC1 ZINC000272044013 674408331 /nfs/dbraw/zinc/40/83/31/674408331.db2.gz RNPVVTNGDVGXLE-UHFFFAOYSA-N 1 1 363.483 1.731 20 30 FDEDMO Cc1cccc2c(NCCNc3ccc(C#N)cn3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737408705 599270192 /nfs/dbraw/zinc/27/01/92/599270192.db2.gz KLZSWHOGKFOTIY-UHFFFAOYSA-N 1 1 371.408 1.936 20 30 FDEDMO CNC(=O)C[NH+]1CCC(Nc2ccc(Br)cc2C#N)CC1 ZINC000272822637 674477792 /nfs/dbraw/zinc/47/77/92/674477792.db2.gz JHFXIOPCQODPRK-UHFFFAOYSA-N 1 1 351.248 1.943 20 30 FDEDMO C#CC[N@@H+](C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[C@H]1CCc2ccccc21 ZINC000819701441 607442074 /nfs/dbraw/zinc/44/20/74/607442074.db2.gz HOEHXRLUBSKGKS-KSSFIOAISA-N 1 1 374.452 1.728 20 30 FDEDMO C=CCS(=O)(=O)CCNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000273036477 674498809 /nfs/dbraw/zinc/49/88/09/674498809.db2.gz ZSRCPBYIPUZDFV-NVXWUHKLSA-N 1 1 365.499 1.549 20 30 FDEDMO C=CCS(=O)(=O)CCNC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000273036477 674498810 /nfs/dbraw/zinc/49/88/10/674498810.db2.gz ZSRCPBYIPUZDFV-NVXWUHKLSA-N 1 1 365.499 1.549 20 30 FDEDMO Cc1cccc2c(NCCNc3ncccc3C#N)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822335332 606460705 /nfs/dbraw/zinc/46/07/05/606460705.db2.gz JXLSUSTWRCGQNY-UHFFFAOYSA-N 1 1 371.408 1.936 20 30 FDEDMO C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1cccc(C#N)c1F ZINC000825934330 608414950 /nfs/dbraw/zinc/41/49/50/608414950.db2.gz MXQDXHLXSJMCFD-UHFFFAOYSA-N 1 1 355.381 1.247 20 30 FDEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)c(OC)c1 ZINC000276875348 674789949 /nfs/dbraw/zinc/78/99/49/674789949.db2.gz LXHVFAROCQXGEJ-LZQZEXGQSA-N 1 1 351.443 1.509 20 30 FDEDMO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000278383351 675130498 /nfs/dbraw/zinc/13/04/98/675130498.db2.gz LTBCOVCRORKLGV-OAHLLOKOSA-N 1 1 363.483 1.741 20 30 FDEDMO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000278383351 675130501 /nfs/dbraw/zinc/13/05/01/675130501.db2.gz LTBCOVCRORKLGV-OAHLLOKOSA-N 1 1 363.483 1.741 20 30 FDEDMO N#C[C@H](c1ccccc1)N1CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000091621896 671512247 /nfs/dbraw/zinc/51/22/47/671512247.db2.gz QDXCIXCUSOFQKC-OAHLLOKOSA-N 1 1 354.376 1.937 20 30 FDEDMO Cc1ccc(CNC(=O)CON=C(N)C[N@@H+]2CCCC[C@@H]2C)cc1F ZINC000106437867 671607113 /nfs/dbraw/zinc/60/71/13/671607113.db2.gz SNJWDMMGVFRQKB-AWEZNQCLSA-N 1 1 350.438 1.914 20 30 FDEDMO C#CCSCCNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000173283733 672078755 /nfs/dbraw/zinc/07/87/55/672078755.db2.gz QUXMCWUBQUIACB-QGZVFWFLSA-N 1 1 360.527 1.863 20 30 FDEDMO Cc1cc(C#N)ccc1S(=O)(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000288286014 675987678 /nfs/dbraw/zinc/98/76/78/675987678.db2.gz FKXWUSNTJROYIG-UHFFFAOYSA-N 1 1 352.504 1.371 20 30 FDEDMO Cc1cc(C#N)ccc1S(=O)(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000288286014 675987680 /nfs/dbraw/zinc/98/76/80/675987680.db2.gz FKXWUSNTJROYIG-UHFFFAOYSA-N 1 1 352.504 1.371 20 30 FDEDMO CCOC[C@H]1CCC[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000245943711 672475299 /nfs/dbraw/zinc/47/52/99/672475299.db2.gz BCCDKHJCRPXBRF-ZWKOTPCHSA-N 1 1 350.507 1.427 20 30 FDEDMO CC[NH+]=C(NC[C@H]1CN(C)CCN1C)N1CCC(OC(C)(C)C)CC1 ZINC000261848368 672682454 /nfs/dbraw/zinc/68/24/54/672682454.db2.gz XRZFVTGHWPOGHY-INIZCTEOSA-N 1 1 353.555 1.477 20 30 FDEDMO C[NH+]=C(NCC1(N2CCSCC2)CCCC1)N1CCO[C@@H](COC)C1 ZINC000261973547 672705346 /nfs/dbraw/zinc/70/53/46/672705346.db2.gz QOKLRTGMSHGQOS-MRXNPFEDSA-N 1 1 370.563 1.271 20 30 FDEDMO C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000266710769 673179604 /nfs/dbraw/zinc/17/96/04/673179604.db2.gz YANOUIAMHWODSP-GFCCVEGCSA-N 1 1 354.332 1.726 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cncc(C#N)c1 ZINC000289383908 676127663 /nfs/dbraw/zinc/12/76/63/676127663.db2.gz CPXYFQGNVRCNBT-KDOFPFPSSA-N 1 1 356.451 1.752 20 30 FDEDMO C[C@@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)C(=O)N(C)CCC#N ZINC000280623841 675441593 /nfs/dbraw/zinc/44/15/93/675441593.db2.gz WVDNZWJZVLSIDL-YPMHNXCESA-N 1 1 359.348 1.969 20 30 FDEDMO C[NH+](C)Cc1cc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)ccc1Cl ZINC000281615085 675537097 /nfs/dbraw/zinc/53/70/97/675537097.db2.gz CTNIGBYRIGJRCJ-CYBMUJFWSA-N 1 1 350.806 1.091 20 30 FDEDMO C[C@@H](CC#N)N(C)S(=O)(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000282146814 675605041 /nfs/dbraw/zinc/60/50/41/675605041.db2.gz AABHCYAEQQTDNG-HNNXBMFYSA-N 1 1 364.515 1.892 20 30 FDEDMO COc1cccc([C@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)[NH+](C)C)c1 ZINC000282789721 675640917 /nfs/dbraw/zinc/64/09/17/675640917.db2.gz JEZPATQHMPPEOP-BBRMVZONSA-N 1 1 354.476 1.224 20 30 FDEDMO C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000282810888 675642209 /nfs/dbraw/zinc/64/22/09/675642209.db2.gz ZDXNIELAQIBGJG-DOTOQJQBSA-N 1 1 350.488 1.577 20 30 FDEDMO C[C@H](CC#N)N(C)S(=O)(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000283017780 675647424 /nfs/dbraw/zinc/64/74/24/675647424.db2.gz PFDVSOGFTSDJAN-HZPDHXFCSA-N 1 1 352.504 1.965 20 30 FDEDMO C[C@H](CC#N)N(C)S(=O)(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000283040599 675647629 /nfs/dbraw/zinc/64/76/29/675647629.db2.gz RHIJMNNKIBQKTK-CQSZACIVSA-N 1 1 351.476 1.114 20 30 FDEDMO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000283663553 675660086 /nfs/dbraw/zinc/66/00/86/675660086.db2.gz XPQLTVVGPWTRHT-CABCVRRESA-N 1 1 354.476 1.732 20 30 FDEDMO CS(=O)(=O)N1CCC[C@H](C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000292047643 676280959 /nfs/dbraw/zinc/28/09/59/676280959.db2.gz AYEHLSYAOLKDRG-CVEARBPZSA-N 1 1 364.471 1.078 20 30 FDEDMO CS(=O)(=O)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000292360131 676296654 /nfs/dbraw/zinc/29/66/54/676296654.db2.gz WCOASUSDZKIEED-GFCCVEGCSA-N 1 1 369.874 1.907 20 30 FDEDMO N#CCCOCC[N@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000293320877 676345077 /nfs/dbraw/zinc/34/50/77/676345077.db2.gz CIRDHSHIYFSBAE-UHFFFAOYSA-N 1 1 355.435 1.452 20 30 FDEDMO N#CCCOCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000293320877 676345078 /nfs/dbraw/zinc/34/50/78/676345078.db2.gz CIRDHSHIYFSBAE-UHFFFAOYSA-N 1 1 355.435 1.452 20 30 FDEDMO COC[C@]1(C(=O)OC)CC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000295056378 676399094 /nfs/dbraw/zinc/39/90/94/676399094.db2.gz BLLUDCIKPNNJLF-KRWDZBQOSA-N 1 1 365.817 1.662 20 30 FDEDMO COC[C@]1(C(=O)OC)CC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000295056378 676399099 /nfs/dbraw/zinc/39/90/99/676399099.db2.gz BLLUDCIKPNNJLF-KRWDZBQOSA-N 1 1 365.817 1.662 20 30 FDEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H](CC)c1cccc(S(N)(=O)=O)c1 ZINC000296299775 676417559 /nfs/dbraw/zinc/41/75/59/676417559.db2.gz JGAIQHQJGUKVOL-INIZCTEOSA-N 1 1 366.487 1.039 20 30 FDEDMO CCCS(=O)(=O)CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000299101825 676516959 /nfs/dbraw/zinc/51/69/59/676516959.db2.gz AFLSCDKKWUMYJB-UHFFFAOYSA-N 1 1 351.472 1.273 20 30 FDEDMO C[C@H]1CCCN(CCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000303871580 676543265 /nfs/dbraw/zinc/54/32/65/676543265.db2.gz BRZZFJFYYBOCBA-HNNXBMFYSA-N 1 1 353.511 1.586 20 30 FDEDMO COCCNC(=[NH2+])NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000304016463 676544080 /nfs/dbraw/zinc/54/40/80/676544080.db2.gz WPJMYEPJYMILFS-UHFFFAOYSA-N 1 1 353.898 1.403 20 30 FDEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)C1 ZINC000328721120 676603978 /nfs/dbraw/zinc/60/39/78/676603978.db2.gz WPMHELCDCNWKAA-IXDOHACOSA-N 1 1 353.507 1.790 20 30 FDEDMO C[N@H+]1CCN(CCNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CC1(C)C ZINC000328718278 676603991 /nfs/dbraw/zinc/60/39/91/676603991.db2.gz PTHGEKONRYKDGY-MRXNPFEDSA-N 1 1 350.507 1.618 20 30 FDEDMO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000328895062 676611366 /nfs/dbraw/zinc/61/13/66/676611366.db2.gz VZHKCSXPLKJFCI-ZIAGYGMSSA-N 1 1 352.504 1.896 20 30 FDEDMO CO[C@@H]1C[C@@H](c2nnc[nH]2)N(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000328938105 676612897 /nfs/dbraw/zinc/61/28/97/676612897.db2.gz JYPNWTUGWMCHBF-CABCVRRESA-N 1 1 350.467 1.396 20 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JCUPJBOKEPXBOD-OWCLPIDISA-N 1 1 350.484 1.880 20 30 FDEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@@H]1O ZINC001083967781 912910405 /nfs/dbraw/zinc/91/04/05/912910405.db2.gz XYWIWBVSVAIPGS-MSOLQXFVSA-N 1 1 357.454 1.449 20 30 FDEDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[C@H]1C ZINC000498548539 885238595 /nfs/dbraw/zinc/23/85/95/885238595.db2.gz AMPUODJSOGRYDQ-KGLIPLIRSA-N 1 1 352.442 1.881 20 30 FDEDMO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129029942 885345662 /nfs/dbraw/zinc/34/56/62/885345662.db2.gz QIZLXWRPIXVVRQ-KURKYZTESA-N 1 1 361.490 1.793 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ncnn1CC(F)F ZINC001035057864 885528282 /nfs/dbraw/zinc/52/82/82/885528282.db2.gz YKLXOFYNSHOHMQ-MCIONIFRSA-N 1 1 369.416 1.215 20 30 FDEDMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCC[C@H](C#N)C1 ZINC000919296352 885532703 /nfs/dbraw/zinc/53/27/03/885532703.db2.gz IYOASQYBWMINRP-DLBZAZTESA-N 1 1 356.474 1.537 20 30 FDEDMO 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C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@@H](n2ccnn2)C1 ZINC001129119270 885791722 /nfs/dbraw/zinc/79/17/22/885791722.db2.gz ZTCHMYLSNIDNHL-AXSMETJDSA-N 1 1 357.458 1.009 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)N(C)CCOCCNc2ccc(C#N)nc2)CC[N@H+]1C ZINC001127499973 885811273 /nfs/dbraw/zinc/81/12/73/885811273.db2.gz JMZOIUIHHKXYEO-ZWKOTPCHSA-N 1 1 359.474 1.570 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2(C3CC3)CCC2)[C@@H](n2ccnn2)C1 ZINC001129133755 885830299 /nfs/dbraw/zinc/83/02/99/885830299.db2.gz JRYUPQJPZIFWQP-SJORKVTESA-N 1 1 359.474 1.403 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)C2(C3CC3)CCC2)[C@@H](n2ccnn2)C1 ZINC001129133755 885830311 /nfs/dbraw/zinc/83/03/11/885830311.db2.gz JRYUPQJPZIFWQP-SJORKVTESA-N 1 1 359.474 1.403 20 30 FDEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CCc2c(C)nn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001129139879 885843987 /nfs/dbraw/zinc/84/39/87/885843987.db2.gz YHHKDNPATWRTCZ-MSOLQXFVSA-N 1 1 371.489 1.179 20 30 FDEDMO 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Cn1cc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cccc(C#N)c4)[C@H]3C2)nn1 ZINC001084934701 918531586 /nfs/dbraw/zinc/53/15/86/918531586.db2.gz SDLCLHXQZQHDPC-AEFFLSMTSA-N 1 1 350.426 1.423 20 30 FDEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@H]4CCCN4C)[nH]n3)C[C@@H]21 ZINC001084946440 918660264 /nfs/dbraw/zinc/66/02/64/918660264.db2.gz LJBOCAJHURJONR-LZQZEXGQSA-N 1 1 355.486 1.736 20 30 FDEDMO CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@H]4CCCN4C)n[nH]3)C[C@@H]21 ZINC001084946440 918660270 /nfs/dbraw/zinc/66/02/70/918660270.db2.gz LJBOCAJHURJONR-LZQZEXGQSA-N 1 1 355.486 1.736 20 30 FDEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@H]4CCCN4C)n[nH]3)C[C@@H]21 ZINC001084946440 918660277 /nfs/dbraw/zinc/66/02/77/918660277.db2.gz LJBOCAJHURJONR-LZQZEXGQSA-N 1 1 355.486 1.736 20 30 FDEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(-c4cccnc4)nn3)C[C@@H]21 ZINC001084954095 918760650 /nfs/dbraw/zinc/76/06/50/918760650.db2.gz MCSHCBOWGNYEJK-QAPCUYQASA-N 1 1 350.426 1.222 20 30 FDEDMO CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC000731895990 918764941 /nfs/dbraw/zinc/76/49/41/918764941.db2.gz FGGNMFSPQZPWAJ-OOESYIKTSA-N 1 1 364.471 1.390 20 30 FDEDMO C=C(Cl)CN1CC[C@@H]2CCN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@@H]21 ZINC001084957612 918840885 /nfs/dbraw/zinc/84/08/85/918840885.db2.gz KKXJSENWROVXFT-IXDOHACOSA-N 1 1 365.909 1.489 20 30 FDEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](Cn3cccn3)N(C)C)C[C@@H]21 ZINC001084957612 918840902 /nfs/dbraw/zinc/84/09/02/918840902.db2.gz KKXJSENWROVXFT-IXDOHACOSA-N 1 1 365.909 1.489 20 30 FDEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](Cn3cccn3)N(C)C)C[C@@H]21 ZINC001084957612 918840906 /nfs/dbraw/zinc/84/09/06/918840906.db2.gz KKXJSENWROVXFT-IXDOHACOSA-N 1 1 365.909 1.489 20 30 FDEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cccnc3)[C@H]2C1 ZINC001084961136 918907011 /nfs/dbraw/zinc/90/70/11/918907011.db2.gz NCWAZKUSPYHPIL-AABGKKOBSA-N 1 1 352.482 1.602 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000732054662 918965793 /nfs/dbraw/zinc/96/57/93/918965793.db2.gz ARKZTYLTQAPTEE-SFHVURJKSA-N 1 1 354.454 1.897 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000732054662 918965800 /nfs/dbraw/zinc/96/58/00/918965800.db2.gz ARKZTYLTQAPTEE-SFHVURJKSA-N 1 1 354.454 1.897 20 30 FDEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3coc(S(N)(=O)=O)c3)C[C@@H]21 ZINC001084974654 919037188 /nfs/dbraw/zinc/03/71/88/919037188.db2.gz NIGBQILXAKQEPK-OCCSQVGLSA-N 1 1 353.444 1.040 20 30 FDEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]21 ZINC001084978537 919063491 /nfs/dbraw/zinc/06/34/91/919063491.db2.gz XISXRBXAUIBGLD-AYBZRNKSSA-N 1 1 366.465 1.507 20 30 FDEDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000732200662 919241352 /nfs/dbraw/zinc/24/13/52/919241352.db2.gz HFUQFIKOGSAANG-NFAWXSAZSA-N 1 1 363.421 1.809 20 30 FDEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C[C@@H]21 ZINC001085005026 919504109 /nfs/dbraw/zinc/50/41/09/919504109.db2.gz CLXLLWHCNXYISG-JLSDUUJJSA-N 1 1 352.438 1.117 20 30 FDEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C[C@@H]21 ZINC001085005472 919507510 /nfs/dbraw/zinc/50/75/10/919507510.db2.gz XOHKTMFHKJGFTQ-BVGQSLNGSA-N 1 1 370.428 1.256 20 30 FDEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C[C@@H]21 ZINC001085005472 919507516 /nfs/dbraw/zinc/50/75/16/919507516.db2.gz XOHKTMFHKJGFTQ-BVGQSLNGSA-N 1 1 370.428 1.256 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cn(C)nc3C)[C@H]2C1 ZINC001085037350 919962903 /nfs/dbraw/zinc/96/29/03/919962903.db2.gz ALIWEQLHBJTVJG-YSHGAJCASA-N 1 1 358.486 1.742 20 30 FDEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cn(C)nc3C(F)(F)F)C[C@@H]21 ZINC001085044155 920006815 /nfs/dbraw/zinc/00/68/15/920006815.db2.gz CUXOADGTAGBFCX-OCCSQVGLSA-N 1 1 354.376 1.999 20 30 FDEDMO C=CCn1cc(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccns4)[C@H]3C2)nn1 ZINC001085051831 920097907 /nfs/dbraw/zinc/09/79/07/920097907.db2.gz LPMFVSDDPPZGIP-CJNGLKHVSA-N 1 1 358.471 1.657 20 30 FDEDMO C=CCn1cc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccns4)[C@H]3C2)nn1 ZINC001085051831 920097921 /nfs/dbraw/zinc/09/79/21/920097921.db2.gz LPMFVSDDPPZGIP-CJNGLKHVSA-N 1 1 358.471 1.657 20 30 FDEDMO C=CCn1cc(C(=O)N2CC[C@H]3CC[N@H+](Cc4cnccc4C)[C@H]3C2)nn1 ZINC001085051772 920098235 /nfs/dbraw/zinc/09/82/35/920098235.db2.gz HWJZBPKBZDLZDV-APWZRJJASA-N 1 1 366.469 1.904 20 30 FDEDMO C=CCn1cc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cc(C)n(C)n4)[C@H]3C2)nn1 ZINC001085051890 920100875 /nfs/dbraw/zinc/10/08/75/920100875.db2.gz OZDDUUSNYCCWGC-QAPCUYQASA-N 1 1 369.473 1.243 20 30 FDEDMO C=CCn1cc(C(=O)N2CC[C@H]3CC[N@H+](Cc4cc(C)n(C)n4)[C@H]3C2)nn1 ZINC001085051890 920100881 /nfs/dbraw/zinc/10/08/81/920100881.db2.gz OZDDUUSNYCCWGC-QAPCUYQASA-N 1 1 369.473 1.243 20 30 FDEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C[C@H]4CCC(=O)N4)C[C@@H]32)c1 ZINC001085055612 920183357 /nfs/dbraw/zinc/18/33/57/920183357.db2.gz QTTXEPQOZQXISF-QRVBRYPASA-N 1 1 366.465 1.650 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C[C@H]4CCC(=O)N4)C[C@@H]32)cc1 ZINC001085055716 920184915 /nfs/dbraw/zinc/18/49/15/920184915.db2.gz VNYSWVRNSUOQRP-QRVBRYPASA-N 1 1 366.465 1.650 20 30 FDEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4nc[nH]n4)C[C@@H]32)c1 ZINC001085059264 920271045 /nfs/dbraw/zinc/27/10/45/920271045.db2.gz GUIDDHJNHINIHP-CJNGLKHVSA-N 1 1 354.389 1.552 20 30 FDEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CCN(C(=O)c4nc[nH]n4)C[C@@H]32)c1 ZINC001085059264 920271056 /nfs/dbraw/zinc/27/10/56/920271056.db2.gz GUIDDHJNHINIHP-CJNGLKHVSA-N 1 1 354.389 1.552 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CCN(C(=O)c4oncc4C)C[C@@H]32)C1=O ZINC001085067758 920381233 /nfs/dbraw/zinc/38/12/33/920381233.db2.gz PPUARRXSHLKGNY-JYJNAYRXSA-N 1 1 358.442 1.306 20 30 FDEDMO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C[C@@H]21 ZINC001085069605 920437257 /nfs/dbraw/zinc/43/72/57/920437257.db2.gz WQYQVRHOODFBIM-ZACQAIPSSA-N 1 1 354.516 1.700 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CCN4CCCC4=O)[C@H]3C2)nc1 ZINC001085078334 920542185 /nfs/dbraw/zinc/54/21/85/920542185.db2.gz NTOWYIWOYRNIFE-MJGOQNOKSA-N 1 1 366.465 1.222 20 30 FDEDMO CC(C)[C@H](C[NH+](C)C)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000733167583 920718032 /nfs/dbraw/zinc/71/80/32/920718032.db2.gz WFMQSGKUJUUCFS-INIZCTEOSA-N 1 1 351.472 1.175 20 30 FDEDMO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(CC#Cc4ccccc4)[C@H]3C2)C1 ZINC001085092784 920807833 /nfs/dbraw/zinc/80/78/33/920807833.db2.gz PXLKRLMGFQCFAP-NJYVYQBISA-N 1 1 351.494 1.913 20 30 FDEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(CC#Cc4ccccc4)[C@H]3C2)C1 ZINC001085092784 920807847 /nfs/dbraw/zinc/80/78/47/920807847.db2.gz PXLKRLMGFQCFAP-NJYVYQBISA-N 1 1 351.494 1.913 20 30 FDEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c(c3)[nH]c(=O)n4C)C[C@@H]21 ZINC001085101541 920926118 /nfs/dbraw/zinc/92/61/18/920926118.db2.gz PJQIKMNYYHJTIK-KDOFPFPSSA-N 1 1 352.438 1.839 20 30 FDEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(OC)ncnc3OC)C[C@@H]21 ZINC001085105818 920978817 /nfs/dbraw/zinc/97/88/17/920978817.db2.gz IGPWSIGYVXHIHP-CABCVRRESA-N 1 1 360.458 1.996 20 30 FDEDMO C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2cc(C)n[nH]2)C1=O ZINC001085166753 921961193 /nfs/dbraw/zinc/96/11/93/921961193.db2.gz QKJNEWJGXYCBIX-ZACQAIPSSA-N 1 1 359.474 1.065 20 30 FDEDMO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)[nH]1)c1nnnn1C1CC1 ZINC001085174254 921971299 /nfs/dbraw/zinc/97/12/99/921971299.db2.gz FKLJBFVEOFVMJC-NILFDRSVSA-N 1 1 368.445 1.600 20 30 FDEDMO C=CCOCC(=O)N1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001066218689 922616166 /nfs/dbraw/zinc/61/61/66/922616166.db2.gz MLIYOEARJFCBBD-YESZJQIVSA-N 1 1 351.491 1.417 20 30 FDEDMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)Nc1nc(C#N)c(Cl)s1 ZINC001098366368 923010477 /nfs/dbraw/zinc/01/04/77/923010477.db2.gz NXVHVJKQEGTTOR-IQJOONFLSA-N 1 1 357.867 1.304 20 30 FDEDMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)Nc1nc(C#N)c(Cl)s1 ZINC001098366368 923010484 /nfs/dbraw/zinc/01/04/84/923010484.db2.gz NXVHVJKQEGTTOR-IQJOONFLSA-N 1 1 357.867 1.304 20 30 FDEDMO C#CCOc1ccccc1CNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000734671566 923612564 /nfs/dbraw/zinc/61/25/64/923612564.db2.gz RNMNITUZOTUKJM-IBGZPJMESA-N 1 1 370.497 1.620 20 30 FDEDMO C#CCOc1ccccc1CNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000734671573 923613263 /nfs/dbraw/zinc/61/32/63/923613263.db2.gz RNMNITUZOTUKJM-LJQANCHMSA-N 1 1 370.497 1.620 20 30 FDEDMO C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1=NC(=O)N(C)C1 ZINC001085320703 923850582 /nfs/dbraw/zinc/85/05/82/923850582.db2.gz MBZBARXIKZDTGI-GHMZBOCLSA-N 1 1 357.252 1.665 20 30 FDEDMO COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ncn[nH]1 ZINC001085368458 924270272 /nfs/dbraw/zinc/27/02/72/924270272.db2.gz WOSFURLYFKOPGD-HUUCEWRRSA-N 1 1 354.414 1.516 20 30 FDEDMO COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1nc[nH]n1 ZINC001085368458 924270281 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ZINC001129449348 938420008 /nfs/dbraw/zinc/42/00/08/938420008.db2.gz LYBDFCMJRVZICW-MSOLQXFVSA-N 1 1 354.458 1.911 20 30 FDEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)CCOc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129433520 938423055 /nfs/dbraw/zinc/42/30/55/938423055.db2.gz DGGJJSFBBPMHRE-MSOLQXFVSA-N 1 1 353.426 1.112 20 30 FDEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)COc2ccc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001129433670 938423681 /nfs/dbraw/zinc/42/36/81/938423681.db2.gz LGCUISAAVNGORM-MSOLQXFVSA-N 1 1 369.469 1.892 20 30 FDEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)COc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129438345 938425540 /nfs/dbraw/zinc/42/55/40/938425540.db2.gz SDDZXQOONFURCM-JQHSSLGASA-N 1 1 355.442 1.521 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)COc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129438345 938425545 /nfs/dbraw/zinc/42/55/45/938425545.db2.gz SDDZXQOONFURCM-JQHSSLGASA-N 1 1 355.442 1.521 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2nc(C)c(C)s2)[C@@H](n2ccnn2)C1 ZINC001129438608 938425603 /nfs/dbraw/zinc/42/56/03/938425603.db2.gz XPIYPCBALIKFNZ-CABCVRRESA-N 1 1 360.487 1.973 20 30 FDEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)c2ncc3n2CCCC3)[C@@H](n2ccnn2)C1 ZINC001129441107 938426592 /nfs/dbraw/zinc/42/65/92/938426592.db2.gz MTZSGYUXTOFTKK-SJORKVTESA-N 1 1 369.473 1.432 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)OCCOCC)[C@@H](n2ccnn2)C1 ZINC001129470584 938430333 /nfs/dbraw/zinc/43/03/33/938430333.db2.gz LLQMFJNNSFHBBQ-ZACQAIPSSA-N 1 1 365.478 1.027 20 30 FDEDMO C=CCCOCC(=O)N[C@@H]1C[N@H+](CC/C=C/CCC)C[C@@H]1n1ccnn1 ZINC001129477057 938433076 /nfs/dbraw/zinc/43/30/76/938433076.db2.gz XNEOFNNMBHRHBY-YQJUVHNHSA-N 1 1 361.490 1.959 20 30 FDEDMO C=CC[N@H+]1C[C@@H](NC(=O)CCc2cccc(F)c2F)[C@@H](n2ccnn2)C1 ZINC001129490837 938442265 /nfs/dbraw/zinc/44/22/65/938442265.db2.gz QRPNMFXUKMRXDN-CVEARBPZSA-N 1 1 361.396 1.717 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CCc2cccc(F)c2F)[C@@H](n2ccnn2)C1 ZINC001129490837 938442266 /nfs/dbraw/zinc/44/22/66/938442266.db2.gz QRPNMFXUKMRXDN-CVEARBPZSA-N 1 1 361.396 1.717 20 30 FDEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CC(F)(F)C(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129490896 938442902 /nfs/dbraw/zinc/44/29/02/938442902.db2.gz UCZPPEKSUVMIIE-MNOVXSKESA-N 1 1 367.322 1.783 20 30 FDEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CCc2cncc(F)c2)[C@@H](n2ccnn2)C1 ZINC001129495978 938443781 /nfs/dbraw/zinc/44/37/81/938443781.db2.gz BYUKEBMSTIVSFQ-SJORKVTESA-N 1 1 358.421 1.363 20 30 FDEDMO C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001086622939 938445829 /nfs/dbraw/zinc/44/58/29/938445829.db2.gz AXJFALLUXAZDNU-RBUKOAKNSA-N 1 1 368.481 1.385 20 30 FDEDMO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCN2C(=O)CCC)C1 ZINC001086625037 938509054 /nfs/dbraw/zinc/50/90/54/938509054.db2.gz HSGOZWMEQXZVPX-ZCNNSNEGSA-N 1 1 367.493 1.995 20 30 FDEDMO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCN2C(=O)CCC)C1 ZINC001086625037 938509055 /nfs/dbraw/zinc/50/90/55/938509055.db2.gz HSGOZWMEQXZVPX-ZCNNSNEGSA-N 1 1 367.493 1.995 20 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C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccccc2O)n[nH]1 ZINC001130186381 938731959 /nfs/dbraw/zinc/73/19/59/938731959.db2.gz AESUDJGBGBNLDF-ZFWWWQNUSA-N 1 1 357.414 1.088 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)no2)n1 ZINC001130187189 938732640 /nfs/dbraw/zinc/73/26/40/938732640.db2.gz VUMUGSTUXPFVHG-JSGCOSHPSA-N 1 1 360.418 1.069 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)no2)n[nH]1 ZINC001130187189 938732641 /nfs/dbraw/zinc/73/26/41/938732641.db2.gz VUMUGSTUXPFVHG-JSGCOSHPSA-N 1 1 360.418 1.069 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C)nc2)n1 ZINC001130187300 938733226 /nfs/dbraw/zinc/73/32/26/938733226.db2.gz ZLOWTGMXGGPORD-HOTGVXAUSA-N 1 1 370.457 1.476 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C)nc2)n[nH]1 ZINC001130187300 938733228 /nfs/dbraw/zinc/73/32/28/938733228.db2.gz ZLOWTGMXGGPORD-HOTGVXAUSA-N 1 1 370.457 1.476 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2scnc2C)n1 ZINC001130188102 938734849 /nfs/dbraw/zinc/73/48/49/938734849.db2.gz ZCHMZGNXPFFUMF-RYUDHWBXSA-N 1 1 362.459 1.148 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2scnc2C)n[nH]1 ZINC001130188102 938734851 /nfs/dbraw/zinc/73/48/51/938734851.db2.gz ZCHMZGNXPFFUMF-RYUDHWBXSA-N 1 1 362.459 1.148 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC(F)(F)C2)n1 ZINC001130198237 938740220 /nfs/dbraw/zinc/74/02/20/938740220.db2.gz BCUPLTAYGJXDJL-STQMWFEESA-N 1 1 369.416 1.504 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CC(F)(F)C2)n[nH]1 ZINC001130198237 938740222 /nfs/dbraw/zinc/74/02/22/938740222.db2.gz BCUPLTAYGJXDJL-STQMWFEESA-N 1 1 369.416 1.504 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccccc2)[nH]1 ZINC001130182763 938741636 /nfs/dbraw/zinc/74/16/36/938741636.db2.gz ALXUMPHBJILERN-HOTGVXAUSA-N 1 1 353.426 1.220 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2=CCCCCC2)n1 ZINC001130204635 938745432 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BGPVJPWORFSVEU-HOTGVXAUSA-N 1 1 370.457 1.015 20 30 FDEDMO C=C(C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@@H](F)CC)n[nH]1 ZINC001130216330 938752632 /nfs/dbraw/zinc/75/26/32/938752632.db2.gz TYQNZYYMBQVOGP-KKUMJFAQSA-N 1 1 367.469 1.987 20 30 FDEDMO C=C(C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@@H](F)CC)n1 ZINC001130216330 938752635 /nfs/dbraw/zinc/75/26/35/938752635.db2.gz TYQNZYYMBQVOGP-KKUMJFAQSA-N 1 1 367.469 1.987 20 30 FDEDMO C=C(C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)OC)n[nH]1 ZINC001130216202 938752717 /nfs/dbraw/zinc/75/27/17/938752717.db2.gz QNGVHSNMYDGZHB-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=C(C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)OC)n1 ZINC001130216202 938752718 /nfs/dbraw/zinc/75/27/18/938752718.db2.gz QNGVHSNMYDGZHB-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](CC)SC)n1 ZINC001130200197 938753721 /nfs/dbraw/zinc/75/37/21/938753721.db2.gz CYBLGMRZODRQRC-MELADBBJSA-N 1 1 367.519 1.601 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](CC)SC)n[nH]1 ZINC001130200197 938753722 /nfs/dbraw/zinc/75/37/22/938753722.db2.gz CYBLGMRZODRQRC-MELADBBJSA-N 1 1 367.519 1.601 20 30 FDEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)CC)n1 ZINC001130203031 938755495 /nfs/dbraw/zinc/75/54/95/938755495.db2.gz QCNVLEVRIKNWKB-KKUMJFAQSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)CC)n[nH]1 ZINC001130203031 938755494 /nfs/dbraw/zinc/75/54/94/938755494.db2.gz QCNVLEVRIKNWKB-KKUMJFAQSA-N 1 1 365.478 1.132 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccncc2CC)n1 ZINC001130222701 938756873 /nfs/dbraw/zinc/75/68/73/938756873.db2.gz AJWKNJWBZCFDRR-HOTGVXAUSA-N 1 1 370.457 1.340 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccncc2CC)n[nH]1 ZINC001130222701 938756875 /nfs/dbraw/zinc/75/68/75/938756875.db2.gz AJWKNJWBZCFDRR-HOTGVXAUSA-N 1 1 370.457 1.340 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)CC(F)F)n1 ZINC001130224921 938758800 /nfs/dbraw/zinc/75/88/00/938758800.db2.gz ITAFUVPCSZYEGM-WOPDTQHZSA-N 1 1 357.405 1.360 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)CC(F)F)n[nH]1 ZINC001130224921 938758801 /nfs/dbraw/zinc/75/88/01/938758801.db2.gz ITAFUVPCSZYEGM-WOPDTQHZSA-N 1 1 357.405 1.360 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2cncc(C)c2)n1 ZINC001130224976 938759244 /nfs/dbraw/zinc/75/92/44/938759244.db2.gz LHDLBSUOIZAWRV-HOTGVXAUSA-N 1 1 370.457 1.015 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2cncc(C)c2)n[nH]1 ZINC001130224976 938759245 /nfs/dbraw/zinc/75/92/45/938759245.db2.gz LHDLBSUOIZAWRV-HOTGVXAUSA-N 1 1 370.457 1.015 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC2(C)C)n1 ZINC001130230507 938764317 /nfs/dbraw/zinc/76/43/17/938764317.db2.gz YEKFGGVMUWIVBY-ZNMIVQPWSA-N 1 1 359.474 1.343 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CCC2(C)C)n[nH]1 ZINC001130230507 938764318 /nfs/dbraw/zinc/76/43/18/938764318.db2.gz YEKFGGVMUWIVBY-ZNMIVQPWSA-N 1 1 359.474 1.343 20 30 FDEDMO C=C[C@H](CC)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130232409 938765154 /nfs/dbraw/zinc/76/51/54/938765154.db2.gz GIUPHKOBRGPIJU-RDBSUJKOSA-N 1 1 353.442 1.455 20 30 FDEDMO C=C[C@H](CC)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130232409 938765156 /nfs/dbraw/zinc/76/51/56/938765156.db2.gz GIUPHKOBRGPIJU-RDBSUJKOSA-N 1 1 353.442 1.455 20 30 FDEDMO C=C[C@@H](CC)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130232407 938765168 /nfs/dbraw/zinc/76/51/68/938765168.db2.gz GIUPHKOBRGPIJU-IHRRRGAJSA-N 1 1 353.442 1.455 20 30 FDEDMO C=C[C@@H](CC)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130232407 938765170 /nfs/dbraw/zinc/76/51/70/938765170.db2.gz GIUPHKOBRGPIJU-IHRRRGAJSA-N 1 1 353.442 1.455 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c[nH]cc2C)n1 ZINC001130249090 938773240 /nfs/dbraw/zinc/77/32/40/938773240.db2.gz JFNDSYXIMBQKHI-ZFWWWQNUSA-N 1 1 358.446 1.409 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c[nH]cc2C)n[nH]1 ZINC001130249090 938773241 /nfs/dbraw/zinc/77/32/41/938773241.db2.gz JFNDSYXIMBQKHI-ZFWWWQNUSA-N 1 1 358.446 1.409 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)CCOC)n1 ZINC001130251133 938774179 /nfs/dbraw/zinc/77/41/79/938774179.db2.gz CYEFFGDVXGTARF-KKUMJFAQSA-N 1 1 365.478 1.132 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)CCOC)n[nH]1 ZINC001130251133 938774182 /nfs/dbraw/zinc/77/41/82/938774182.db2.gz CYEFFGDVXGTARF-KKUMJFAQSA-N 1 1 365.478 1.132 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H](C)C2CC2)n1 ZINC001130251234 938774450 /nfs/dbraw/zinc/77/44/50/938774450.db2.gz JIIUKZLLFPWDMS-BPUTZDHNSA-N 1 1 359.474 1.343 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H](C)C2CC2)n[nH]1 ZINC001130251234 938774452 /nfs/dbraw/zinc/77/44/52/938774452.db2.gz JIIUKZLLFPWDMS-BPUTZDHNSA-N 1 1 359.474 1.343 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)OCC=C)n1 ZINC001130251402 938774854 /nfs/dbraw/zinc/77/48/54/938774854.db2.gz RYGJDIKMSJFOMU-ILXRZTDVSA-N 1 1 363.462 1.050 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)OCC=C)n[nH]1 ZINC001130251402 938774857 /nfs/dbraw/zinc/77/48/57/938774857.db2.gz RYGJDIKMSJFOMU-ILXRZTDVSA-N 1 1 363.462 1.050 20 30 FDEDMO C=CCCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCC)n[nH]1 ZINC001130253703 938775543 /nfs/dbraw/zinc/77/55/43/938775543.db2.gz LAVUWPDCKLLGCM-GJZGRUSLSA-N 1 1 365.478 1.276 20 30 FDEDMO C=CCCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCC)n1 ZINC001130253703 938775545 /nfs/dbraw/zinc/77/55/45/938775545.db2.gz LAVUWPDCKLLGCM-GJZGRUSLSA-N 1 1 365.478 1.276 20 30 FDEDMO N#Cc1ccc(C[NH+]2CCC3(CC2)COCC(=O)N3)c(Br)c1 ZINC001137633751 938795684 /nfs/dbraw/zinc/79/56/84/938795684.db2.gz AKSBDURDWWLSNV-UHFFFAOYSA-N 1 1 364.243 1.802 20 30 FDEDMO CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O ZINC001090485460 938874316 /nfs/dbraw/zinc/87/43/16/938874316.db2.gz WNTQAEOAEVQJHA-NVXWUHKLSA-N 1 1 368.441 1.029 20 30 FDEDMO C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2coc(C)n2)C1 ZINC001130578573 939891089 /nfs/dbraw/zinc/89/10/89/939891089.db2.gz UJFBUTGGMNNFER-FUHWJXTLSA-N 1 1 355.442 1.604 20 30 FDEDMO C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nocc2C)C1 ZINC001130580489 939892801 /nfs/dbraw/zinc/89/28/01/939892801.db2.gz HWAPOGRUDQOGBV-MAUKXSAKSA-N 1 1 355.442 1.604 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3c[nH]nc32)C[C@H]1c1cn(C)cn1 ZINC001130590312 939896811 /nfs/dbraw/zinc/89/68/11/939896811.db2.gz JOMOBOBWHKVDTA-XYJFISCASA-N 1 1 368.485 1.723 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC2(COC)CC2)C[C@H]1c1cn(C)cn1 ZINC001130594341 939901583 /nfs/dbraw/zinc/90/15/83/939901583.db2.gz CLGAFAJIFVJEQM-GOEBONIOSA-N 1 1 366.893 1.873 20 30 FDEDMO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1c1cn(C)cn1 ZINC001130675594 939973441 /nfs/dbraw/zinc/97/34/41/939973441.db2.gz XFSXIYGLPAUFHB-UWWQBHOKSA-N 1 1 371.489 1.410 20 30 FDEDMO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130675594 939973445 /nfs/dbraw/zinc/97/34/45/939973445.db2.gz XFSXIYGLPAUFHB-UWWQBHOKSA-N 1 1 371.489 1.410 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130675629 939973541 /nfs/dbraw/zinc/97/35/41/939973541.db2.gz ZDGVQEWMCONUOB-QXAKKESOSA-N 1 1 359.518 1.448 20 30 FDEDMO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130690124 939980015 /nfs/dbraw/zinc/98/00/15/939980015.db2.gz YBVZGJFYLLNDMN-VDZJLULYSA-N 1 1 370.501 1.872 20 30 FDEDMO C=C(Cl)CN[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1cn(C)cn1 ZINC001130708252 940013988 /nfs/dbraw/zinc/01/39/88/940013988.db2.gz FJPWKGDYUJSCAE-GOEBONIOSA-N 1 1 353.898 1.398 20 30 FDEDMO C=C(C)[C@H](CC(=O)N[C@@H]1CN(c2cc(CC)[nH+]c(C)n2)C[C@H]1O)OCC ZINC001090493314 940038350 /nfs/dbraw/zinc/03/83/50/940038350.db2.gz NZVMQCXOGMNWOQ-ZACQAIPSSA-N 1 1 362.474 1.384 20 30 FDEDMO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c1 ZINC000806806260 940059426 /nfs/dbraw/zinc/05/94/26/940059426.db2.gz ANECWSIBVSHLTQ-KRWDZBQOSA-N 1 1 374.485 1.966 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCSC)n[nH]2)O1 ZINC001130758155 940083680 /nfs/dbraw/zinc/08/36/80/940083680.db2.gz UNGFJRJPEMMLDP-QWHCGFSZSA-N 1 1 351.476 1.007 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C)nc3)n[nH]2)O1 ZINC001130759831 940087187 /nfs/dbraw/zinc/08/71/87/940087187.db2.gz OUBNVUNLVWSIRK-JKSUJKDBSA-N 1 1 370.457 1.824 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)SC)n[nH]2)O1 ZINC001130767244 940100864 /nfs/dbraw/zinc/10/08/64/940100864.db2.gz FJPVLPBXDXIISC-RWMBFGLXSA-N 1 1 351.476 1.005 20 30 FDEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C[C@H](C)CC)O2)n1 ZINC001130767494 940101348 /nfs/dbraw/zinc/10/13/48/940101348.db2.gz KXLOWPVOGHSZSB-QLFBSQMISA-N 1 1 365.478 1.479 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)SC)n[nH]2)O1 ZINC001130767609 940102129 /nfs/dbraw/zinc/10/21/29/940102129.db2.gz ONIKHICJMJBDRS-MELADBBJSA-N 1 1 367.519 1.948 20 30 FDEDMO C[C@@H](C#N)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCCCF)O2)n1 ZINC001130769651 940106952 /nfs/dbraw/zinc/10/69/52/940106952.db2.gz MXIFAAOFXDMSDD-MELADBBJSA-N 1 1 366.441 1.530 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc4occc4[nH]3)n[nH]2)O1 ZINC001130785562 940120450 /nfs/dbraw/zinc/12/04/50/940120450.db2.gz VJULHMGXBRZDIS-SMDDNHRTSA-N 1 1 370.413 1.805 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[C@H](C)OC)n[nH]2)O1 ZINC001130777260 940128521 /nfs/dbraw/zinc/12/85/21/940128521.db2.gz ZCOWHTKFDFPSIC-SOUVJXGZSA-N 1 1 365.478 1.622 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C#CC(C)C)n[nH]2)O1 ZINC001130780996 940135763 /nfs/dbraw/zinc/13/57/63/940135763.db2.gz JWYYJVMETYSAKF-JKSUJKDBSA-N 1 1 359.474 1.856 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H](C)SC)n[nH]2)O1 ZINC001130781005 940135881 /nfs/dbraw/zinc/13/58/81/940135881.db2.gz KLZRAQZUVPEHAC-MELADBBJSA-N 1 1 365.503 1.396 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H](C)SC)n[nH]2)O1 ZINC001130781213 940136423 /nfs/dbraw/zinc/13/64/23/940136423.db2.gz UFKATZUXTQWHFJ-FRRDWIJNSA-N 1 1 353.492 1.558 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(CCF)CC3)n[nH]2)O1 ZINC001130794575 940146416 /nfs/dbraw/zinc/14/64/16/940146416.db2.gz ZYZGHPARXKZBGY-UONOGXRCSA-N 1 1 363.437 1.394 20 30 FDEDMO C=C(C)C[C@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n1 ZINC001130796550 940151710 /nfs/dbraw/zinc/15/17/10/940151710.db2.gz XPAXONWOWDOWFM-HRCADAONSA-N 1 1 359.474 1.856 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3C[C@H]3CC(C)C)n[nH]2)O1 ZINC001130807262 940182606 /nfs/dbraw/zinc/18/26/06/940182606.db2.gz VNLUCVSXXBGELF-QKPAOTATSA-N 1 1 359.474 1.546 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](CC(C)C)OC)n[nH]2)O1 ZINC001130808998 940184187 /nfs/dbraw/zinc/18/41/87/940184187.db2.gz BQEVVXAMVCUIGB-ZNMIVQPWSA-N 1 1 365.478 1.478 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3Cc4ccccc43)n[nH]2)O1 ZINC001130799801 940194434 /nfs/dbraw/zinc/19/44/34/940194434.db2.gz YKUXJICHVZNFGI-BHYGNILZSA-N 1 1 367.453 1.757 20 30 FDEDMO C=CCO[C@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n1 ZINC001130822440 940203071 /nfs/dbraw/zinc/20/30/71/940203071.db2.gz IZSJFNTZPUXPMZ-VHDGCEQUSA-N 1 1 363.462 1.232 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC34CCCC4)n[nH]2)O1 ZINC001130812904 940210980 /nfs/dbraw/zinc/21/09/80/940210980.db2.gz FENUXYOGWBVPPO-RRFJBIMHSA-N 1 1 359.474 1.997 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)c3ccccc3)n[nH]2)O1 ZINC001130816350 940218354 /nfs/dbraw/zinc/21/83/54/940218354.db2.gz SDUDFPPKOFGIMK-BHYGNILZSA-N 1 1 367.453 1.668 20 30 FDEDMO C#Cc1ccc(C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CC=C)O3)n2)cn1 ZINC001130817603 940222754 /nfs/dbraw/zinc/22/27/54/940222754.db2.gz VTAWQRPXYOBFOL-JKSUJKDBSA-N 1 1 366.425 1.107 20 30 FDEDMO COc1ccc(CNC(=O)C(=O)NCCCCn2cc[nH+]c2C)cc1C#N ZINC000807384152 940341490 /nfs/dbraw/zinc/34/14/90/940341490.db2.gz YXCHWUDMJKENHR-UHFFFAOYSA-N 1 1 369.425 1.285 20 30 FDEDMO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1c1cncn1C ZINC001130956611 940361311 /nfs/dbraw/zinc/36/13/11/940361311.db2.gz ARLZLQZBVBEFSL-HUUCEWRRSA-N 1 1 357.462 1.021 20 30 FDEDMO Cc1nc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cncn2C)cs1 ZINC001130991360 940413538 /nfs/dbraw/zinc/41/35/38/940413538.db2.gz FYXVCIXGQLJDRZ-IAGOWNOFSA-N 1 1 371.510 1.929 20 30 FDEDMO Cc1conc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1cncn1C ZINC001130985781 940423307 /nfs/dbraw/zinc/42/33/07/940423307.db2.gz PKIDLOZOXNVAAK-NVXWUHKLSA-N 1 1 369.469 1.850 20 30 FDEDMO 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VLEKLTWEVKRYAZ-WBVHZDCISA-N 1 1 374.485 1.910 20 30 FDEDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000329438982 824786713 /nfs/dbraw/zinc/78/67/13/824786713.db2.gz JOXYDOBUWDKSCK-ROUUACIJSA-N 1 1 358.486 1.975 20 30 FDEDMO O=C(NC[C@H]1CCc2[nH+]ccn2C1)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329485612 824829676 /nfs/dbraw/zinc/82/96/76/824829676.db2.gz QUSHPPDYTYNRGY-CVEARBPZSA-N 1 1 374.489 1.629 20 30 FDEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)C[C@@H]2C1 ZINC001087989906 824931686 /nfs/dbraw/zinc/93/16/86/824931686.db2.gz BVHQMJVCNSESBU-KGLIPLIRSA-N 1 1 353.426 1.091 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC000984826491 825033874 /nfs/dbraw/zinc/03/38/74/825033874.db2.gz USMDGWYQXMIRKV-TUVASFSCSA-N 1 1 362.478 1.004 20 30 FDEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)C[C@@H]2C1 ZINC001088000054 825059163 /nfs/dbraw/zinc/05/91/63/825059163.db2.gz NSGGQMLMDJQOIS-SFNKJDCFSA-N 1 1 356.470 1.394 20 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N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]2C1 ZINC001088022727 825353960 /nfs/dbraw/zinc/35/39/60/825353960.db2.gz WWLMSBPOXYZCQA-UHOSZYNNSA-N 1 1 366.465 1.365 20 30 FDEDMO Cc1cnn(C[C@@H]2CN(C([O-])=[NH+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCO2)c1 ZINC000329793474 825459334 /nfs/dbraw/zinc/45/93/34/825459334.db2.gz BBVSGPSRXXTAQY-FBVQUNGASA-N 1 1 361.490 1.822 20 30 FDEDMO Cc1cnn(C[C@@H]2CN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCO2)c1 ZINC000329793474 825459338 /nfs/dbraw/zinc/45/93/38/825459338.db2.gz BBVSGPSRXXTAQY-FBVQUNGASA-N 1 1 361.490 1.822 20 30 FDEDMO Cc1cnn(C[C@@H]2CN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCO2)c1 ZINC000329793474 825459343 /nfs/dbraw/zinc/45/93/43/825459343.db2.gz BBVSGPSRXXTAQY-FBVQUNGASA-N 1 1 361.490 1.822 20 30 FDEDMO COc1ccccc1[C@H](CNC(=O)N1CCN2C(=O)NC[C@@H]2C1)[NH+](C)C ZINC000329793887 825459671 /nfs/dbraw/zinc/45/96/71/825459671.db2.gz BMWDJSMRPAMBTK-HIFRSBDPSA-N 1 1 361.446 1.126 20 30 FDEDMO 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/nfs/dbraw/zinc/86/20/14/864862014.db2.gz DYXXIDSYBKVFMK-GUDVDZBRSA-N 1 1 362.445 1.348 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)cc2)C[C@@H]1O ZINC001083848081 881818923 /nfs/dbraw/zinc/81/89/23/881818923.db2.gz KKAUHBXLIOJBMI-YRPNKDGESA-N 1 1 374.481 1.728 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)C[C@@H]1O ZINC001083848081 881818939 /nfs/dbraw/zinc/81/89/39/881818939.db2.gz KKAUHBXLIOJBMI-YRPNKDGESA-N 1 1 374.481 1.728 20 30 FDEDMO Cc1ccn(CC(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)n1 ZINC001088866421 864952514 /nfs/dbraw/zinc/95/25/14/864952514.db2.gz QBKSOKOUOFBURJ-APWZRJJASA-N 1 1 354.429 1.961 20 30 FDEDMO Cc1ccn(CC(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)n1 ZINC001088866421 864952515 /nfs/dbraw/zinc/95/25/15/864952515.db2.gz QBKSOKOUOFBURJ-APWZRJJASA-N 1 1 354.429 1.961 20 30 FDEDMO COc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)n1 ZINC001088900269 865315692 /nfs/dbraw/zinc/31/56/92/865315692.db2.gz AYJDEEZQLAQAPP-WBMJQRKESA-N 1 1 369.400 1.889 20 30 FDEDMO COc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)n1 ZINC001088900269 865315706 /nfs/dbraw/zinc/31/57/06/865315706.db2.gz AYJDEEZQLAQAPP-WBMJQRKESA-N 1 1 369.400 1.889 20 30 FDEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3oc(C)nc3C)[C@@H]2C)nn1 ZINC001088911116 865398272 /nfs/dbraw/zinc/39/82/72/865398272.db2.gz ZRVDMFXUDOHOSR-HIFRSBDPSA-N 1 1 358.446 1.852 20 30 FDEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3oc(C)nc3C)[C@@H]2C)nn1 ZINC001088911116 865398288 /nfs/dbraw/zinc/39/82/88/865398288.db2.gz ZRVDMFXUDOHOSR-HIFRSBDPSA-N 1 1 358.446 1.852 20 30 FDEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)C[C@H]3CCC(=O)N3)[C@H]2C)cc1C#N ZINC001088916646 865425959 /nfs/dbraw/zinc/42/59/59/865425959.db2.gz ZQWFFKLIMRGWIB-XYPHTWIQSA-N 1 1 370.453 1.315 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1O ZINC001083848674 881872923 /nfs/dbraw/zinc/87/29/23/881872923.db2.gz ROQPNLLODSYSHS-RDGPPVDQSA-N 1 1 362.445 1.858 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1O ZINC001083848674 881872934 /nfs/dbraw/zinc/87/29/34/881872934.db2.gz ROQPNLLODSYSHS-RDGPPVDQSA-N 1 1 362.445 1.858 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnoc3C3CC3)[C@H]2C)C1=O ZINC001088953962 865690077 /nfs/dbraw/zinc/69/00/77/865690077.db2.gz XPAWKZDHFUWJLW-UHOFOFEASA-N 1 1 358.442 1.532 20 30 FDEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnoc3C3CC3)[C@H]2C)C1=O ZINC001088953962 865690085 /nfs/dbraw/zinc/69/00/85/865690085.db2.gz XPAWKZDHFUWJLW-UHOFOFEASA-N 1 1 358.442 1.532 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCN2C(N)=O)CC[N@@H+]1Cc1ccccc1C#N ZINC001088971728 865809355 /nfs/dbraw/zinc/80/93/55/865809355.db2.gz AFFWDQUHFSCARZ-JLSDUUJJSA-N 1 1 369.469 1.570 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCN2C(N)=O)CC[N@H+]1Cc1ccccc1C#N ZINC001088971728 865809360 /nfs/dbraw/zinc/80/93/60/865809360.db2.gz AFFWDQUHFSCARZ-JLSDUUJJSA-N 1 1 369.469 1.570 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088977859 865854308 /nfs/dbraw/zinc/85/43/08/865854308.db2.gz QPIGBBVUCHSTLA-XYPHTWIQSA-N 1 1 364.453 1.560 20 30 FDEDMO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)C1 ZINC001098180713 865870312 /nfs/dbraw/zinc/87/03/12/865870312.db2.gz LQXYZUNVGHXIHU-AXUOBQJMSA-N 1 1 366.465 1.648 20 30 FDEDMO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(C#N)c2)C1 ZINC001098180713 865870339 /nfs/dbraw/zinc/87/03/39/865870339.db2.gz LQXYZUNVGHXIHU-AXUOBQJMSA-N 1 1 366.465 1.648 20 30 FDEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1OC ZINC001212193363 865943781 /nfs/dbraw/zinc/94/37/81/865943781.db2.gz DDPHHJFHSSAGOX-GGPKGHCWSA-N 1 1 362.470 1.598 20 30 FDEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001212193379 865946835 /nfs/dbraw/zinc/94/68/35/865946835.db2.gz DPJQDDRTCGPVDQ-JFIYKMOQSA-N 1 1 352.862 1.983 20 30 FDEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001212193379 865946841 /nfs/dbraw/zinc/94/68/41/865946841.db2.gz DPJQDDRTCGPVDQ-JFIYKMOQSA-N 1 1 352.862 1.983 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)[C@@H]2C)nc1 ZINC001088990510 865948973 /nfs/dbraw/zinc/94/89/73/865948973.db2.gz APPPWWUPWYVWFC-BMFZPTHFSA-N 1 1 350.426 1.035 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC[C@@H](C)C3)[C@@H]2C)cn1 ZINC001088991406 865957827 /nfs/dbraw/zinc/95/78/27/865957827.db2.gz YLJDDQRMGZOPEX-MDZRGWNJSA-N 1 1 368.481 1.514 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC[C@@H](C)C3)[C@@H]2C)cn1 ZINC001088991406 865957831 /nfs/dbraw/zinc/95/78/31/865957831.db2.gz YLJDDQRMGZOPEX-MDZRGWNJSA-N 1 1 368.481 1.514 20 30 FDEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1OC ZINC001212194418 866086537 /nfs/dbraw/zinc/08/65/37/866086537.db2.gz RTVAOPJXKHVCEN-CPUCHLNUSA-N 1 1 353.488 1.137 20 30 FDEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(COC)cc3)[C@H]2C)C1=O ZINC001089029994 866161616 /nfs/dbraw/zinc/16/16/16/866161616.db2.gz FYPOEJIXUDGTOH-MNEFBYGVSA-N 1 1 371.481 1.813 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(COC)cc3)[C@H]2C)C1=O ZINC001089029994 866161620 /nfs/dbraw/zinc/16/16/20/866161620.db2.gz FYPOEJIXUDGTOH-MNEFBYGVSA-N 1 1 371.481 1.813 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1Cc1ccc(OCC#N)cc1 ZINC001089037936 866206626 /nfs/dbraw/zinc/20/66/26/866206626.db2.gz XCXTUUBLEBISGO-SUMDDJOVSA-N 1 1 356.470 1.620 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1Cc1ccc(OCC#N)cc1 ZINC001089037936 866206642 /nfs/dbraw/zinc/20/66/42/866206642.db2.gz XCXTUUBLEBISGO-SUMDDJOVSA-N 1 1 356.470 1.620 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2cncc(C(N)=O)c2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001089045812 866278714 /nfs/dbraw/zinc/27/87/14/866278714.db2.gz IPOVFQIRQFSFRB-ACJLOTCBSA-N 1 1 363.421 1.445 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ncc4n3CCCC4)[C@H]2C)C1=O ZINC001089049727 866319520 /nfs/dbraw/zinc/31/95/20/866319520.db2.gz ZTVSYXBHULHTNF-PVAVHDDUSA-N 1 1 371.485 1.199 20 30 FDEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ncc4n3CCCC4)[C@H]2C)C1=O ZINC001089049727 866319533 /nfs/dbraw/zinc/31/95/33/866319533.db2.gz ZTVSYXBHULHTNF-PVAVHDDUSA-N 1 1 371.485 1.199 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2cccc(C(N)=O)n2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001089067053 866455773 /nfs/dbraw/zinc/45/57/73/866455773.db2.gz NPZMZBGTMOMZIB-CJNGLKHVSA-N 1 1 363.421 1.445 20 30 FDEDMO C[C@@H]1CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@H](C)[N@H+]1CCO ZINC000456227248 866789688 /nfs/dbraw/zinc/78/96/88/866789688.db2.gz CJFZPUVUAHCISJ-GASCZTMLSA-N 1 1 353.426 1.271 20 30 FDEDMO C[C@@H]1CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@H](C)[N@@H+]1CCO ZINC000456227248 866789698 /nfs/dbraw/zinc/78/96/98/866789698.db2.gz CJFZPUVUAHCISJ-GASCZTMLSA-N 1 1 353.426 1.271 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2cc(C(N)=O)ccn2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001089090708 866836944 /nfs/dbraw/zinc/83/69/44/866836944.db2.gz DXYFQKSPTVETSC-DYVFJYSZSA-N 1 1 363.421 1.445 20 30 FDEDMO C=CCC[C@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)C(=O)OCC ZINC000456598344 866978259 /nfs/dbraw/zinc/97/82/59/866978259.db2.gz AUEGRNTZDWIVLT-ZDUSSCGKSA-N 1 1 359.430 1.662 20 30 FDEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CC[C@@H]2C1 ZINC000946776385 882077704 /nfs/dbraw/zinc/07/77/04/882077704.db2.gz MPTQFNNFISZFKY-XWTMOSNGSA-N 1 1 363.502 1.369 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCCC1)CC2 ZINC000992184783 868216346 /nfs/dbraw/zinc/21/63/46/868216346.db2.gz XNTCJAMXHNZADW-YZLZLFLDSA-N 1 1 361.486 1.313 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3nncn3C)C[C@H]2CC1 ZINC000946786035 882171411 /nfs/dbraw/zinc/17/14/11/882171411.db2.gz BGECEETVOORUIU-TWMKSMIVSA-N 1 1 359.474 1.077 20 30 FDEDMO CN(Cc1cc(C#N)cs1)C(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000929667933 868788176 /nfs/dbraw/zinc/78/81/76/868788176.db2.gz XZPKKTNVQHPWNK-UHFFFAOYSA-N 1 1 370.478 1.826 20 30 FDEDMO COC(=O)C[C@]1([NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CCOC1 ZINC000464598673 868953824 /nfs/dbraw/zinc/95/38/24/868953824.db2.gz VVOKRNJJGGYNDS-HXUWFJFHSA-N 1 1 373.453 1.862 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@@H]2O)cc1 ZINC001083690996 869077902 /nfs/dbraw/zinc/07/79/02/869077902.db2.gz UPISUFMPWZPXRT-RTWAWAEBSA-N 1 1 362.429 1.673 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@@H]2O)cc1 ZINC001083690996 869077907 /nfs/dbraw/zinc/07/79/07/869077907.db2.gz UPISUFMPWZPXRT-RTWAWAEBSA-N 1 1 362.429 1.673 20 30 FDEDMO C#CCCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001078937095 882293841 /nfs/dbraw/zinc/29/38/41/882293841.db2.gz TXTTXWFXRAXNDG-FGTMMUONSA-N 1 1 363.502 1.349 20 30 FDEDMO C#CCCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001078937095 882293864 /nfs/dbraw/zinc/29/38/64/882293864.db2.gz TXTTXWFXRAXNDG-FGTMMUONSA-N 1 1 363.502 1.349 20 30 FDEDMO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000272011313 869964817 /nfs/dbraw/zinc/96/48/17/869964817.db2.gz TWXZCGXGEHKYLT-UHFFFAOYSA-N 1 1 352.442 1.529 20 30 FDEDMO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCc1ccc(C#N)cc1)C2 ZINC000914053168 870485465 /nfs/dbraw/zinc/48/54/65/870485465.db2.gz QQBDNLFHJUXXPP-MLYOOKFZSA-N 1 1 356.470 1.837 20 30 FDEDMO C#CC[C@@H](CO)NC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000914090048 870690754 /nfs/dbraw/zinc/69/07/54/870690754.db2.gz XENWBDBNBLQLTQ-OALUTQOASA-N 1 1 358.486 1.049 20 30 FDEDMO C#CC[C@@H](CO)NC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000914090048 870690763 /nfs/dbraw/zinc/69/07/63/870690763.db2.gz XENWBDBNBLQLTQ-OALUTQOASA-N 1 1 358.486 1.049 20 30 FDEDMO C#CC[C@@H](CO)NC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000914090048 870690771 /nfs/dbraw/zinc/69/07/71/870690771.db2.gz XENWBDBNBLQLTQ-OALUTQOASA-N 1 1 358.486 1.049 20 30 FDEDMO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCC(=O)N=S(C)(C)=O)C(C)C ZINC000914125464 870939660 /nfs/dbraw/zinc/93/96/60/870939660.db2.gz GABANBSXOVCVOQ-AWEZNQCLSA-N 1 1 358.508 1.238 20 30 FDEDMO C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C)nc1 ZINC000994389945 882520269 /nfs/dbraw/zinc/52/02/69/882520269.db2.gz LLISOAONIGVDLQ-JOCBIADPSA-N 1 1 368.481 1.227 20 30 FDEDMO COCC[N@@H+](C)CCCNC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000914176358 871689465 /nfs/dbraw/zinc/68/94/65/871689465.db2.gz FGFAHXOBXRPNJR-KRWDZBQOSA-N 1 1 374.489 1.507 20 30 FDEDMO C[N@@H+](CC(=O)N1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@]2(C)C1)C1CCC1 ZINC000992741038 871727925 /nfs/dbraw/zinc/72/79/25/871727925.db2.gz QLHPULMFGDDDLX-QRWLVFNGSA-N 1 1 369.469 1.291 20 30 FDEDMO C=CCC[C@H](C)[N@@H+]1CCn2ncc(CNC(=O)[C@H]3OCCO[C@H]3C)c2C1 ZINC001128387253 872510249 /nfs/dbraw/zinc/51/02/49/872510249.db2.gz RNYXHDNCGAGHSC-MPGHIAIKSA-N 1 1 362.474 1.474 20 30 FDEDMO C=CCC[C@H](C)[N@H+]1CCn2ncc(CNC(=O)[C@H]3OCCO[C@H]3C)c2C1 ZINC001128387253 872510261 /nfs/dbraw/zinc/51/02/61/872510261.db2.gz RNYXHDNCGAGHSC-MPGHIAIKSA-N 1 1 362.474 1.474 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC001033498031 882628911 /nfs/dbraw/zinc/62/89/11/882628911.db2.gz RQYLUJJVOHFUGH-QYZOEREBSA-N 1 1 371.481 1.799 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCN2CCCC2=O)C1 ZINC001033500142 882634913 /nfs/dbraw/zinc/63/49/13/882634913.db2.gz VNKFGNXWFNONJC-LNLFQRSKSA-N 1 1 363.502 1.513 20 30 FDEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1 ZINC000992890955 873118954 /nfs/dbraw/zinc/11/89/54/873118954.db2.gz VKLHKZMMCHSTDS-WAOWUJCRSA-N 1 1 357.498 1.581 20 30 FDEDMO C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@]3(C)C2)cc1 ZINC000992933332 873263023 /nfs/dbraw/zinc/26/30/23/873263023.db2.gz CAQYEVXYFCXVQT-JQVVWYNYSA-N 1 1 365.477 1.540 20 30 FDEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](N(C)c3ccc(C#N)cn3)C2)O1 ZINC001061283944 873776339 /nfs/dbraw/zinc/77/63/39/873776339.db2.gz RMRZKIZMPCOKHL-DJIMGWMZSA-N 1 1 357.458 1.100 20 30 FDEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](N(C)c3ccc(C#N)cn3)C2)O1 ZINC001061283944 873776346 /nfs/dbraw/zinc/77/63/46/873776346.db2.gz RMRZKIZMPCOKHL-DJIMGWMZSA-N 1 1 357.458 1.100 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc[nH]c1C ZINC001003674327 874003198 /nfs/dbraw/zinc/00/31/98/874003198.db2.gz FBGKDGDGHKOMAY-BGTYHANMSA-N 1 1 354.454 1.282 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc[nH]c1C ZINC001003674327 874003215 /nfs/dbraw/zinc/00/32/15/874003215.db2.gz FBGKDGDGHKOMAY-BGTYHANMSA-N 1 1 354.454 1.282 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccoc1C ZINC001003674204 874003550 /nfs/dbraw/zinc/00/35/50/874003550.db2.gz ASCOIQJRSNUMNA-BGTYHANMSA-N 1 1 355.438 1.547 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccoc1C ZINC001003674204 874003571 /nfs/dbraw/zinc/00/35/71/874003571.db2.gz ASCOIQJRSNUMNA-BGTYHANMSA-N 1 1 355.438 1.547 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(C2CC2)CCC1 ZINC001003676069 874011542 /nfs/dbraw/zinc/01/15/42/874011542.db2.gz FDJYCSQUYHLQJN-YRXWBPOGSA-N 1 1 369.509 1.912 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(C2CC2)CCC1 ZINC001003676069 874011563 /nfs/dbraw/zinc/01/15/63/874011563.db2.gz FDJYCSQUYHLQJN-YRXWBPOGSA-N 1 1 369.509 1.912 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cncc(C)c1 ZINC001003675586 874011951 /nfs/dbraw/zinc/01/19/51/874011951.db2.gz XWVCJHWOECNUPS-YRXWBPOGSA-N 1 1 366.465 1.349 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cncc(C)c1 ZINC001003675586 874011970 /nfs/dbraw/zinc/01/19/70/874011970.db2.gz XWVCJHWOECNUPS-YRXWBPOGSA-N 1 1 366.465 1.349 20 30 FDEDMO C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3ccn(C)c3)[nH]n2)C[C@H]1C ZINC001106229808 874020632 /nfs/dbraw/zinc/02/06/32/874020632.db2.gz HMRWHRCZRRALLT-NVXWUHKLSA-N 1 1 371.485 1.916 20 30 FDEDMO N#CCSCC(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1n1ccnn1 ZINC001128723990 882877317 /nfs/dbraw/zinc/87/73/17/882877317.db2.gz OTNQLDBGMPYKJM-KGLIPLIRSA-N 1 1 354.455 1.016 20 30 FDEDMO COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2[nH]nc3ccc(C)cc32)C[C@H]1C ZINC001106371347 874947059 /nfs/dbraw/zinc/94/70/59/874947059.db2.gz XLXQZCVYAHUDNA-HZPDHXFCSA-N 1 1 354.454 1.819 20 30 FDEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CCc2cc(OC)c(OC)c(OC)c2)C1 ZINC000923598555 882904657 /nfs/dbraw/zinc/90/46/57/882904657.db2.gz VVCDRTJGPJJLTF-MRXNPFEDSA-N 1 1 360.454 1.859 20 30 FDEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCc2cc(OC)c(OC)c(OC)c2)C1 ZINC000923598555 882904659 /nfs/dbraw/zinc/90/46/59/882904659.db2.gz VVCDRTJGPJJLTF-MRXNPFEDSA-N 1 1 360.454 1.859 20 30 FDEDMO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3cncn3c2)C[C@H]1C ZINC001106431699 875283561 /nfs/dbraw/zinc/28/35/61/875283561.db2.gz KOPUPNGVFVQLQE-HLLBOEOZSA-N 1 1 369.469 1.323 20 30 FDEDMO CC#CCCCC(=O)N1C[C@@H](C[NH2+]Cc2nsc(N(C)C)n2)[C@H](C)C1 ZINC001106557767 875949897 /nfs/dbraw/zinc/94/98/97/875949897.db2.gz GKSXLKIHQMZJHO-HUUCEWRRSA-N 1 1 363.531 1.982 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCOCCOC ZINC001099234022 875973637 /nfs/dbraw/zinc/97/36/37/875973637.db2.gz GCCOQYUHPLJQSZ-KSZLIROESA-N 1 1 368.518 1.847 20 30 FDEDMO C[C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001106678090 876528096 /nfs/dbraw/zinc/52/80/96/876528096.db2.gz XXTKOWCFKANFIL-NVXWUHKLSA-N 1 1 369.444 1.612 20 30 FDEDMO C[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001106678090 876528107 /nfs/dbraw/zinc/52/81/07/876528107.db2.gz XXTKOWCFKANFIL-NVXWUHKLSA-N 1 1 369.444 1.612 20 30 FDEDMO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1C ZINC001106693231 876572351 /nfs/dbraw/zinc/57/23/51/876572351.db2.gz XHSVCDIUVYEMHW-UMVBOHGHSA-N 1 1 359.474 1.276 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C(C)(C)C3CC3)C[C@]2(C)C1 ZINC000993277685 876783071 /nfs/dbraw/zinc/78/30/71/876783071.db2.gz XRNBXZSVYVSUFT-FGSXEWAUSA-N 1 1 371.525 1.827 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C(C)(C)C3CC3)C[C@]2(C)C1 ZINC000993277685 876783085 /nfs/dbraw/zinc/78/30/85/876783085.db2.gz XRNBXZSVYVSUFT-FGSXEWAUSA-N 1 1 371.525 1.827 20 30 FDEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@@H]2O)CC1 ZINC001083754576 883075262 /nfs/dbraw/zinc/07/52/62/883075262.db2.gz XOYMLNFGZAIYOG-QRVBRYPASA-N 1 1 350.503 1.835 20 30 FDEDMO CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1C#N ZINC000272291838 876931793 /nfs/dbraw/zinc/93/17/93/876931793.db2.gz FIDRNWKCWDSBIE-PBHICJAKSA-N 1 1 370.453 1.837 20 30 FDEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](CCOC)NC(=O)OC(C)(C)C)C1 ZINC000923597414 877326247 /nfs/dbraw/zinc/32/62/47/877326247.db2.gz XJASSRBPMHDJAY-GJZGRUSLSA-N 1 1 353.463 1.130 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CCOC)NC(=O)OC(C)(C)C)C1 ZINC000923597414 877326263 /nfs/dbraw/zinc/32/62/63/877326263.db2.gz XJASSRBPMHDJAY-GJZGRUSLSA-N 1 1 353.463 1.130 20 30 FDEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@H](OC)C1 ZINC001212412622 912236945 /nfs/dbraw/zinc/23/69/45/912236945.db2.gz YLBNTNZBOWXEHM-HZPDHXFCSA-N 1 1 350.463 1.675 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C(C)C)[nH]2)C1 ZINC000999195689 912256210 /nfs/dbraw/zinc/25/62/10/912256210.db2.gz UAMLNXZHUIXTOE-OAGGEKHMSA-N 1 1 361.490 1.990 20 30 FDEDMO N#Cc1ccc(F)c(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000922343136 877800987 /nfs/dbraw/zinc/80/09/87/877800987.db2.gz KERQENNOFUJXFO-INIZCTEOSA-N 1 1 360.433 1.224 20 30 FDEDMO CCc1ccc(C#CC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000922346388 877829894 /nfs/dbraw/zinc/82/98/94/877829894.db2.gz SRHFHIHEYBJGQM-NRFANRHFSA-N 1 1 369.509 1.513 20 30 FDEDMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@]3(C)C2)C1 ZINC000993438183 878197491 /nfs/dbraw/zinc/19/74/91/878197491.db2.gz LUMGLQXHJNVRIT-PTSWNOGYSA-N 1 1 369.469 1.149 20 30 FDEDMO Cc1cccc(N2CCC(NS(=O)(=O)c3cnc(C)c(C#N)c3)CC2)[nH+]1 ZINC000489498617 878218694 /nfs/dbraw/zinc/21/86/94/878218694.db2.gz MWIQMVIMXKHCRT-UHFFFAOYSA-N 1 1 371.466 1.912 20 30 FDEDMO Cc1onc(CC(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)c1C#N ZINC000499862187 878300112 /nfs/dbraw/zinc/30/01/12/878300112.db2.gz MXWGMQRKAOBXRB-AWEZNQCLSA-N 1 1 368.441 1.119 20 30 FDEDMO Cc1onc(CC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)c1C#N ZINC000499930296 878573455 /nfs/dbraw/zinc/57/34/55/878573455.db2.gz MZMRNXSEXLAJOP-UHFFFAOYSA-N 1 1 368.441 1.121 20 30 FDEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)cc1 ZINC000946589025 878860896 /nfs/dbraw/zinc/86/08/96/878860896.db2.gz APLMYEIDHGERSP-FCGDIQPGSA-N 1 1 368.437 1.894 20 30 FDEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC[C@@H]3C2)cc1 ZINC000946589025 878860908 /nfs/dbraw/zinc/86/09/08/878860908.db2.gz APLMYEIDHGERSP-FCGDIQPGSA-N 1 1 368.437 1.894 20 30 FDEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC[C@@H]3C2)cc1 ZINC000946589025 878860913 /nfs/dbraw/zinc/86/09/13/878860913.db2.gz APLMYEIDHGERSP-FCGDIQPGSA-N 1 1 368.437 1.894 20 30 FDEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@]23C[C@H]2COC3)C1 ZINC001033094210 878898636 /nfs/dbraw/zinc/89/86/36/878898636.db2.gz TUESSXZSWCNVPO-QKLQHJQFSA-N 1 1 355.438 1.636 20 30 FDEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@]23C[C@H]2COC3)C1 ZINC001033094210 878898644 /nfs/dbraw/zinc/89/86/44/878898644.db2.gz TUESSXZSWCNVPO-QKLQHJQFSA-N 1 1 355.438 1.636 20 30 FDEDMO COc1ccc(C#N)cc1CN1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033095082 878901689 /nfs/dbraw/zinc/90/16/89/878901689.db2.gz PTIRJMYKWLOFRW-AYOQOUSVSA-N 1 1 370.497 1.940 20 30 FDEDMO 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C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](Cc2cn(CC)nn2)CC1 ZINC000997308507 908227814 /nfs/dbraw/zinc/22/78/14/908227814.db2.gz FYNNSNYQUNRBJL-OLMNPRSZSA-N 1 1 361.490 1.606 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@]1(C)C[N@@H+](CC2CCOCC2)CCO1 ZINC001107952538 908394382 /nfs/dbraw/zinc/39/43/82/908394382.db2.gz GASWVGVUSBDQFP-WSTZPKSXSA-N 1 1 366.502 1.601 20 30 FDEDMO COc1ccc(CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cc1C#N ZINC000921571156 908440616 /nfs/dbraw/zinc/44/06/16/908440616.db2.gz DVSRBQVEQFAUIN-HOTGVXAUSA-N 1 1 360.483 1.946 20 30 FDEDMO C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C3CC3)nn2C)C1 ZINC001082561671 908630004 /nfs/dbraw/zinc/63/00/04/908630004.db2.gz JAGPCUBNQBYSJX-GDBMZVCRSA-N 1 1 368.485 1.930 20 30 FDEDMO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1OC)OCC ZINC001212354934 909078612 /nfs/dbraw/zinc/07/86/12/909078612.db2.gz NMYXMQFTMIWJLR-KZNAEPCWSA-N 1 1 365.474 1.978 20 30 FDEDMO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1OC)OCC 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YPJNWRNDYSFOAE-QEJZJMRPSA-N 1 1 362.478 1.479 20 30 FDEDMO C#CCCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCC#C)n[nH]1 ZINC001130204835 938745805 /nfs/dbraw/zinc/74/58/05/938745805.db2.gz MFOMIQHSZGDWED-HOTGVXAUSA-N 1 1 357.458 1.100 20 30 FDEDMO C#CCCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCC#C)n1 ZINC001130204835 938745808 /nfs/dbraw/zinc/74/58/08/938745808.db2.gz MFOMIQHSZGDWED-HOTGVXAUSA-N 1 1 357.458 1.100 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2CCC2)[nH]1 ZINC001130205249 938745985 /nfs/dbraw/zinc/74/59/85/938745985.db2.gz VPEIHLFHAWCZJA-KBPBESRZSA-N 1 1 367.881 1.826 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2cccnc2)n1 ZINC001130200556 938754228 /nfs/dbraw/zinc/75/42/28/938754228.db2.gz PZQGPGTYCJXLGL-HOTGVXAUSA-N 1 1 370.457 1.097 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2cccnc2)n[nH]1 ZINC001130200556 938754230 /nfs/dbraw/zinc/75/42/30/938754230.db2.gz PZQGPGTYCJXLGL-HOTGVXAUSA-N 1 1 370.457 1.097 20 30 FDEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=CC2CC2)[nH]1 ZINC001130202841 938755447 /nfs/dbraw/zinc/75/54/47/938755447.db2.gz LLCKIRJTPJOCEX-CTXXGXLOSA-N 1 1 365.865 1.602 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCC23CC3)[nH]1 ZINC001130221111 938756821 /nfs/dbraw/zinc/75/68/21/938756821.db2.gz VKFBRVBZBJOPGA-ZNMIVQPWSA-N 1 1 357.458 1.097 20 30 FDEDMO C=C[C@@H](CC)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CC)[nH]1 ZINC001130232523 938764959 /nfs/dbraw/zinc/76/49/59/938764959.db2.gz JVMXGWGEBJMJKN-JYJNAYRXSA-N 1 1 359.474 1.509 20 30 FDEDMO C=C1CC(C)(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CC#CC)[nH]2)C1 ZINC001130234586 938765872 /nfs/dbraw/zinc/76/58/72/938765872.db2.gz CAWVATCFSRQTJV-GJZGRUSLSA-N 1 1 357.458 1.263 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C(C)(F)F)CC2)n1 ZINC001130237917 938767405 /nfs/dbraw/zinc/76/74/05/938767405.db2.gz JVZZSSZHZXAGQM-RYUDHWBXSA-N 1 1 369.416 1.504 20 30 FDEDMO 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ZINC001130637594 939939328 /nfs/dbraw/zinc/93/93/28/939939328.db2.gz AYWKKZRXYMTTHK-FUHWJXTLSA-N 1 1 362.437 1.518 20 30 FDEDMO C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001130664138 939957093 /nfs/dbraw/zinc/95/70/93/939957093.db2.gz IOMGHYIYLFEJFX-FUHWJXTLSA-N 1 1 356.474 1.594 20 30 FDEDMO C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1c1cn(C)cn1 ZINC001130659646 939965657 /nfs/dbraw/zinc/96/56/57/939965657.db2.gz STPISQLMFCDTQZ-DZGCQCFKSA-N 1 1 358.446 1.023 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@@H](C)COC)C[C@H]1c1cn(C)cn1 ZINC001130704562 939985451 /nfs/dbraw/zinc/98/54/51/939985451.db2.gz UOTGHKGIACEDKN-IVMMDQJWSA-N 1 1 354.882 1.729 20 30 FDEDMO C#CCN[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1c1cn(C)cn1 ZINC001130728626 940017185 /nfs/dbraw/zinc/01/71/85/940017185.db2.gz IJWAFUPTGMHNES-PKOBYXMFSA-N 1 1 357.502 1.203 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC3CCCCC3)n[nH]2)O1 ZINC001130753012 940061729 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VSIMUURFEMZQDL-DEQQHWRFSA-N 1 1 357.458 1.300 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)n3cccc3)n[nH]2)O1 ZINC001130777219 940128607 /nfs/dbraw/zinc/12/86/07/940128607.db2.gz XHTMIWVPFIKOBM-OWCLPIDISA-N 1 1 370.457 1.317 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@](C)(O)C=C)n[nH]2)O1 ZINC001130778053 940131101 /nfs/dbraw/zinc/13/11/01/940131101.db2.gz CMPVQFGGOMOVOH-IYOUNJFTSA-N 1 1 363.462 1.134 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[C@@H](C)OC)n[nH]2)O1 ZINC001130778417 940132142 /nfs/dbraw/zinc/13/21/42/940132142.db2.gz XHEXDAGUVWXMCS-QLFBSQMISA-N 1 1 363.462 1.069 20 30 FDEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC(C)(C)O)n[nH]2)O1 ZINC001130782964 940142178 /nfs/dbraw/zinc/14/21/78/940142178.db2.gz HMLSAFHSFAVARB-UONOGXRCSA-N 1 1 365.478 1.358 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(C4CCC4)CCC3)n[nH]2)O1 ZINC001130794024 940144891 /nfs/dbraw/zinc/14/48/91/940144891.db2.gz IGGNOEBLSOIOGZ-JKSUJKDBSA-N 1 1 371.485 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C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)c3ccco3)n[nH]2)O1 ZINC001130807410 940182452 /nfs/dbraw/zinc/18/24/52/940182452.db2.gz WVDYSKPYHAFXSW-IJEWVQPXSA-N 1 1 371.441 1.651 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(CCC=C)CC3)n[nH]2)O1 ZINC001130802376 940197984 /nfs/dbraw/zinc/19/79/84/940197984.db2.gz QTLKKJRAHLECSH-LSDHHAIUSA-N 1 1 357.458 1.610 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3csc(C)c3)n[nH]2)O1 ZINC001130813088 940211197 /nfs/dbraw/zinc/21/11/97/940211197.db2.gz HSKHJQNMZVNYOR-UONOGXRCSA-N 1 1 359.455 1.548 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3nc(C)oc3C)n[nH]2)O1 ZINC001130813632 940212576 /nfs/dbraw/zinc/21/25/76/940212576.db2.gz VEWSLRKRTPPECI-QWHCGFSZSA-N 1 1 360.418 1.335 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(CC)cc3)n[nH]2)O1 ZINC001130817535 940222822 /nfs/dbraw/zinc/22/28/22/940222822.db2.gz RJHNGELTFYSGQM-DLBZAZTESA-N 1 1 367.453 1.740 20 30 FDEDMO C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cn(C(C)C)nn2)C1 ZINC001130935870 940332170 /nfs/dbraw/zinc/33/21/70/940332170.db2.gz PBRNEZQZXMNROZ-IAGOWNOFSA-N 1 1 371.489 1.643 20 30 FDEDMO CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cscn2)C1 ZINC001130991605 940414471 /nfs/dbraw/zinc/41/44/71/940414471.db2.gz UADAYBWZDPEVIW-HZPDHXFCSA-N 1 1 357.483 1.620 20 30 FDEDMO CC#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cc(C)on2)C1 ZINC001131046815 940475506 /nfs/dbraw/zinc/47/55/06/940475506.db2.gz WTRACSBFUHNBFF-QZTJIDSGSA-N 1 1 369.469 1.994 20 30 FDEDMO C=CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001098473896 940480006 /nfs/dbraw/zinc/48/00/06/940480006.db2.gz DGRPANCUNBKWSI-NVXWUHKLSA-N 1 1 351.491 1.010 20 30 FDEDMO C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@H+]([C@H]1CC[C@@H](C(=O)OC)C1)C2 ZINC001170542675 940515064 /nfs/dbraw/zinc/51/50/64/940515064.db2.gz KRVDXYPWCQHILX-FUHIMQAGSA-N 1 1 363.502 1.511 20 30 FDEDMO C=CCOc1ccc(/C=C\C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)cc1OC 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GFDBDXIXVDXJEM-MSOLQXFVSA-N 1 1 365.518 1.664 20 30 FDEDMO C[C@H](C#N)OCC[NH+]1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000808770382 940617672 /nfs/dbraw/zinc/61/76/72/940617672.db2.gz JBKGCTWECBYFBB-CVEARBPZSA-N 1 1 352.479 1.542 20 30 FDEDMO C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnn(C)n2)CC1 ZINC001131483313 940638906 /nfs/dbraw/zinc/63/89/06/940638906.db2.gz YCSTWGRPDOCHHW-MJGOQNOKSA-N 1 1 359.474 1.104 20 30 FDEDMO CC(C)C#CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnsn2)CC1 ZINC001131496175 940647464 /nfs/dbraw/zinc/64/74/64/940647464.db2.gz SMVYVWNSGNWVIQ-AEFFLSMTSA-N 1 1 362.499 1.683 20 30 FDEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCCC)c1 ZINC000809236867 940791238 /nfs/dbraw/zinc/79/12/38/940791238.db2.gz VGKRUXIWWOBREG-HNNXBMFYSA-N 1 1 365.499 1.448 20 30 FDEDMO C#C[C@H](NC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000809310361 940814840 /nfs/dbraw/zinc/81/48/40/940814840.db2.gz RDDJAVXCOPLYFL-FHWLQOOXSA-N 1 1 369.465 1.016 20 30 FDEDMO 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FDEDMO CC(C)[C@H](CNC(=O)NCCOc1ccc(C#N)cc1)N1CC[NH+](C)CC1 ZINC000073596036 522557777 /nfs/dbraw/zinc/55/77/77/522557777.db2.gz AYHMQUVNKUKGJY-IBGZPJMESA-N 1 1 373.501 1.508 20 30 FDEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)N1CCCC1 ZINC000074023112 522657951 /nfs/dbraw/zinc/65/79/51/522657951.db2.gz YXROCVDEYTWFHD-UHFFFAOYSA-N 1 1 360.483 1.991 20 30 FDEDMO C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[N@H+](CC)C2)c1 ZINC000063852368 522661106 /nfs/dbraw/zinc/66/11/06/522661106.db2.gz JBZSOPGNXRWPBJ-OAHLLOKOSA-N 1 1 365.499 1.613 20 30 FDEDMO CC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000074491411 522786123 /nfs/dbraw/zinc/78/61/23/522786123.db2.gz JJPJJMWUYFVSGO-IBGZPJMESA-N 1 1 355.486 1.870 20 30 FDEDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000049724509 522857890 /nfs/dbraw/zinc/85/78/90/522857890.db2.gz QNVSTUCVIWNHOE-SFHVURJKSA-N 1 1 354.454 1.256 20 30 FDEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000076240695 523052128 /nfs/dbraw/zinc/05/21/28/523052128.db2.gz PMDIFBHLGNFVHA-CYBMUJFWSA-N 1 1 359.401 1.377 20 30 FDEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CCC)C1 ZINC000076266377 523056974 /nfs/dbraw/zinc/05/69/74/523056974.db2.gz GNNFVULYOSTXIH-AWEZNQCLSA-N 1 1 361.417 1.624 20 30 FDEDMO N#CCCSc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000076317750 523076933 /nfs/dbraw/zinc/07/69/33/523076933.db2.gz INIWHMRKQVAKCB-ZDUSSCGKSA-N 1 1 358.467 1.984 20 30 FDEDMO N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000076333933 523082604 /nfs/dbraw/zinc/08/26/04/523082604.db2.gz WTJWYKSXGLTGPX-LLVKDONJSA-N 1 1 364.352 1.451 20 30 FDEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000077202354 523266056 /nfs/dbraw/zinc/26/60/56/523266056.db2.gz OXKHZSWLHREQDD-MRXNPFEDSA-N 1 1 373.501 1.607 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801448 523271599 /nfs/dbraw/zinc/27/15/99/523271599.db2.gz JQMZFPZWORCPPP-OAHLLOKOSA-N 1 1 355.442 1.471 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801448 523271609 /nfs/dbraw/zinc/27/16/09/523271609.db2.gz JQMZFPZWORCPPP-OAHLLOKOSA-N 1 1 355.442 1.471 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000052910028 523302145 /nfs/dbraw/zinc/30/21/45/523302145.db2.gz ICEVOYLHNHEJJV-LBPRGKRZSA-N 1 1 354.451 1.376 20 30 FDEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)CCc3ccccc3)CC2)o1 ZINC000053048570 523334350 /nfs/dbraw/zinc/33/43/50/523334350.db2.gz PMZXZFPMLMUJQP-UHFFFAOYSA-N 1 1 367.453 1.678 20 30 FDEDMO C[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000077731215 523434084 /nfs/dbraw/zinc/43/40/84/523434084.db2.gz SIEQUQMQDOSGSW-IBGZPJMESA-N 1 1 362.433 1.630 20 30 FDEDMO C[N@@H+](CCNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1)C1CCCC1 ZINC000077770604 523458217 /nfs/dbraw/zinc/45/82/17/523458217.db2.gz QXHDUEGHKIRCSW-UHFFFAOYSA-N 1 1 370.457 1.905 20 30 FDEDMO Cc1cc(N(CCC#N)C(=O)CN2CC[NH+](CCO)CC2)ccc1Cl ZINC000078272477 523548961 /nfs/dbraw/zinc/54/89/61/523548961.db2.gz BQFRKWFBUAIQAM-UHFFFAOYSA-N 1 1 364.877 1.505 20 30 FDEDMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)n1 ZINC000054203891 523591515 /nfs/dbraw/zinc/59/15/15/523591515.db2.gz SWWPRLKHCAIZMQ-YWZLYKJASA-N 1 1 369.469 1.849 20 30 FDEDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)n1 ZINC000054203891 523591523 /nfs/dbraw/zinc/59/15/23/523591523.db2.gz SWWPRLKHCAIZMQ-YWZLYKJASA-N 1 1 369.469 1.849 20 30 FDEDMO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000054509591 523652068 /nfs/dbraw/zinc/65/20/68/523652068.db2.gz OPSCELSBQOEQIR-KRWDZBQOSA-N 1 1 356.474 1.517 20 30 FDEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3c3ccc[nH]3)CC2)o1 ZINC000078961994 523677987 /nfs/dbraw/zinc/67/79/87/523677987.db2.gz BKGDLNNTONYXSV-KRWDZBQOSA-N 1 1 368.441 1.669 20 30 FDEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@H]3c3ccc[nH]3)CC2)o1 ZINC000078961994 523678002 /nfs/dbraw/zinc/67/80/02/523678002.db2.gz BKGDLNNTONYXSV-KRWDZBQOSA-N 1 1 368.441 1.669 20 30 FDEDMO Cc1[nH+]ccn1CCCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000054877370 523713072 /nfs/dbraw/zinc/71/30/72/523713072.db2.gz YQVFCZLXPSHYDG-UHFFFAOYSA-N 1 1 369.425 1.995 20 30 FDEDMO CCN(CCC#N)C(=O)C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000055029941 523737859 /nfs/dbraw/zinc/73/78/59/523737859.db2.gz JUUZTOJWJOOFSQ-UHFFFAOYSA-N 1 1 363.506 1.845 20 30 FDEDMO C#CCC[NH+]1CCN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)CC1 ZINC000079869911 523800712 /nfs/dbraw/zinc/80/07/12/523800712.db2.gz YXFDKAXVJTWVDP-UHFFFAOYSA-N 1 1 362.499 1.838 20 30 FDEDMO C=CCNC(=O)N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000080573761 523890990 /nfs/dbraw/zinc/89/09/90/523890990.db2.gz JLBVKTQCUZVHCF-UHFFFAOYSA-N 1 1 358.486 1.842 20 30 FDEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135756377 524168703 /nfs/dbraw/zinc/16/87/03/524168703.db2.gz WZVOGLQXRZOEGV-CVEARBPZSA-N 1 1 355.504 1.075 20 30 FDEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135756377 524168710 /nfs/dbraw/zinc/16/87/10/524168710.db2.gz WZVOGLQXRZOEGV-CVEARBPZSA-N 1 1 355.504 1.075 20 30 FDEDMO C=CC1CC[NH+](CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)CC1 ZINC000111256710 524237126 /nfs/dbraw/zinc/23/71/26/524237126.db2.gz FJOJFXUUZPXPCM-UHFFFAOYSA-N 1 1 351.472 1.787 20 30 FDEDMO C[C@H](c1ccc(NC(=O)C(=O)NCCCCC#N)cc1)[NH+]1CCOCC1 ZINC000172557916 524238151 /nfs/dbraw/zinc/23/81/51/524238151.db2.gz MNPCGMUFKAGGOA-OAHLLOKOSA-N 1 1 358.442 1.828 20 30 FDEDMO O=C(C#Cc1ccc2c(c1)OCO2)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000137527098 524241647 /nfs/dbraw/zinc/24/16/47/524241647.db2.gz DRCLIWMEPORQSX-KRWDZBQOSA-N 1 1 356.422 1.338 20 30 FDEDMO C=CCOc1ccccc1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000111493388 524291758 /nfs/dbraw/zinc/29/17/58/524291758.db2.gz VRBHHUKUIXARBT-KRWDZBQOSA-N 1 1 374.485 1.638 20 30 FDEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000111511717 524295093 /nfs/dbraw/zinc/29/50/93/524295093.db2.gz OSFNJJAAWOEFHJ-QGZVFWFLSA-N 1 1 356.474 1.659 20 30 FDEDMO C=CC[N@H+](C)[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000121610120 524307767 /nfs/dbraw/zinc/30/77/67/524307767.db2.gz INKDYKYGSPHABC-INIZCTEOSA-N 1 1 365.499 1.334 20 30 FDEDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)Cc3cccc(OCC#N)c3)CC2)C1 ZINC000089828749 524530937 /nfs/dbraw/zinc/53/09/37/524530937.db2.gz STZQYZMKZIQQFI-GOSISDBHSA-N 1 1 356.470 1.370 20 30 FDEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c(C#N)c1C ZINC000089942903 524554509 /nfs/dbraw/zinc/55/45/09/524554509.db2.gz PBTKXCVINITNLS-NSHDSACASA-N 1 1 369.429 1.837 20 30 FDEDMO Cn1ccnc1C[NH+]1CCC(C(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000174406101 524566918 /nfs/dbraw/zinc/56/69/18/524566918.db2.gz CDGSDXSSMLIQML-UHFFFAOYSA-N 1 1 355.417 1.959 20 30 FDEDMO C#CCOc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000159293712 524636680 /nfs/dbraw/zinc/63/66/80/524636680.db2.gz QJVABUDMDYCUHZ-MRXNPFEDSA-N 1 1 357.454 1.731 20 30 FDEDMO Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1C#N ZINC000174592405 524639952 /nfs/dbraw/zinc/63/99/52/524639952.db2.gz MCLPNGAVXIINJO-OAHLLOKOSA-N 1 1 358.442 1.278 20 30 FDEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000174658422 524678838 /nfs/dbraw/zinc/67/88/38/524678838.db2.gz JRLWTXNJTBNMFK-UHFFFAOYSA-N 1 1 359.474 1.032 20 30 FDEDMO C=CCNC(=O)NC(=O)C[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000174658422 524678847 /nfs/dbraw/zinc/67/88/47/524678847.db2.gz JRLWTXNJTBNMFK-UHFFFAOYSA-N 1 1 359.474 1.032 20 30 FDEDMO C=CCCC[C@H](C)[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000091538456 524720692 /nfs/dbraw/zinc/72/06/92/524720692.db2.gz JPQBDQMHURCAJU-YESZJQIVSA-N 1 1 359.536 1.703 20 30 FDEDMO COC1CCC([N@@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000091578184 524732055 /nfs/dbraw/zinc/73/20/55/524732055.db2.gz WEVNKCOZUPOHFE-ABHNRTSZSA-N 1 1 350.507 1.568 20 30 FDEDMO Cn1c(Nc2cccc(CC[N@@H+](C)C3CC3)c2)c(C#N)c(=O)n(C)c1=O ZINC000091632168 524748642 /nfs/dbraw/zinc/74/86/42/524748642.db2.gz IEOKWNZGHPQMQG-UHFFFAOYSA-N 1 1 353.426 1.336 20 30 FDEDMO Cc1cccc(NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)c1C#N ZINC000174882832 524776176 /nfs/dbraw/zinc/77/61/76/524776176.db2.gz YSSQIUIZOSYDSI-UHFFFAOYSA-N 1 1 358.442 1.110 20 30 FDEDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000123803912 524833046 /nfs/dbraw/zinc/83/30/46/524833046.db2.gz AXLGQNDORKASJP-HNNXBMFYSA-N 1 1 362.380 1.215 20 30 FDEDMO Cc1conc1NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000160356782 524867421 /nfs/dbraw/zinc/86/74/21/524867421.db2.gz BGVNDBRJGAGUTJ-UHFFFAOYSA-N 1 1 367.409 1.528 20 30 FDEDMO Cc1conc1NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000160356782 524867429 /nfs/dbraw/zinc/86/74/29/524867429.db2.gz BGVNDBRJGAGUTJ-UHFFFAOYSA-N 1 1 367.409 1.528 20 30 FDEDMO CN(CCC#N)C(=O)CC[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000092792273 524918361 /nfs/dbraw/zinc/91/83/61/524918361.db2.gz YFUZHLOGQZEJSS-UHFFFAOYSA-N 1 1 362.861 1.860 20 30 FDEDMO C[N@@H+](CCCn1ccnc1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000124237244 524937781 /nfs/dbraw/zinc/93/77/81/524937781.db2.gz HBGIMCOUPXQJOG-UHFFFAOYSA-N 1 1 363.425 1.901 20 30 FDEDMO C[C@@H](C#N)Oc1ccc(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000093821064 525004333 /nfs/dbraw/zinc/00/43/33/525004333.db2.gz YQNUGGKVYPOMTO-QFBILLFUSA-N 1 1 356.470 1.716 20 30 FDEDMO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000152802455 525010356 /nfs/dbraw/zinc/01/03/56/525010356.db2.gz ARXOBVVLMIFHMQ-WBVHZDCISA-N 1 1 370.453 1.091 20 30 FDEDMO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115599527 525034078 /nfs/dbraw/zinc/03/40/78/525034078.db2.gz GLIUUXZDFPGAGC-GOSISDBHSA-N 1 1 352.394 1.712 20 30 FDEDMO CN1CC[NH+]([C@H]2CCCCN(C(=O)c3ccccc3OCC#N)C2)CC1 ZINC000175997945 525039625 /nfs/dbraw/zinc/03/96/25/525039625.db2.gz BJFSGTOULGJDJH-KRWDZBQOSA-N 1 1 356.470 1.831 20 30 FDEDMO C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000153291563 525168993 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358.442 1.898 20 30 FDEDMO COC(=O)CC[N@H+]1CCN(C(=O)N[C@H](C)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000611374136 554629594 /nfs/dbraw/zinc/62/95/94/554629594.db2.gz FRVFNLJRERBDMD-LSDHHAIUSA-N 1 1 358.442 1.898 20 30 FDEDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc3ccccc3n2CC#N)[C@@H](C)C1 ZINC000611401338 554631209 /nfs/dbraw/zinc/63/12/09/554631209.db2.gz FPXWYSSUDUZFFV-HNNXBMFYSA-N 1 1 368.437 1.874 20 30 FDEDMO COC(=O)CC[N@H+]1CCN(C(=O)c2cc3ccccc3n2CC#N)[C@@H](C)C1 ZINC000611401338 554631210 /nfs/dbraw/zinc/63/12/10/554631210.db2.gz FPXWYSSUDUZFFV-HNNXBMFYSA-N 1 1 368.437 1.874 20 30 FDEDMO C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C[C@@H](O)C1CC1 ZINC000611430259 554632846 /nfs/dbraw/zinc/63/28/46/554632846.db2.gz VDFFGPXGWQXYTK-JKSUJKDBSA-N 1 1 362.499 1.160 20 30 FDEDMO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000611463202 554635798 /nfs/dbraw/zinc/63/57/98/554635798.db2.gz XKIIIIGCRBTUBI-SFHVURJKSA-N 1 1 371.481 1.825 20 30 FDEDMO 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1.123 20 30 FDEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000614914049 555136087 /nfs/dbraw/zinc/13/60/87/555136087.db2.gz QGMKAPXMTVTEJS-GOSISDBHSA-N 1 1 357.454 1.437 20 30 FDEDMO C[C@H](c1ccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cc1)[NH+]1CCOCC1 ZINC000615627797 555221964 /nfs/dbraw/zinc/22/19/64/555221964.db2.gz FCVURXSOCHGZKC-AUUYWEPGSA-N 1 1 374.416 1.482 20 30 FDEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2nc(C#N)c3ccccc32)C1 ZINC000617431430 555438771 /nfs/dbraw/zinc/43/87/71/555438771.db2.gz CGRFLMNLVBNORB-OAHLLOKOSA-N 1 1 355.442 1.381 20 30 FDEDMO C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000617515075 555459931 /nfs/dbraw/zinc/45/99/31/555459931.db2.gz HFMCFQZYMNKBFJ-QAPCUYQASA-N 1 1 367.453 1.913 20 30 FDEDMO C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000617515075 555459934 /nfs/dbraw/zinc/45/99/34/555459934.db2.gz HFMCFQZYMNKBFJ-QAPCUYQASA-N 1 1 367.453 1.913 20 30 FDEDMO 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361.486 1.121 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001084715626 916500193 /nfs/dbraw/zinc/50/01/93/916500193.db2.gz ONEJFVWPTHYCGE-XZKMEQPCSA-N 1 1 361.486 1.121 20 30 FDEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cn4nc(C)cc4[nH]c3=O)[C@@H]2C1 ZINC001084721302 916568319 /nfs/dbraw/zinc/56/83/19/916568319.db2.gz JQFIEKUXRKVHKZ-GDBMZVCRSA-N 1 1 355.442 1.444 20 30 FDEDMO COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ncccn4)[C@@H]3C2)cc1C#N ZINC001084733205 916656972 /nfs/dbraw/zinc/65/69/72/916656972.db2.gz DXHKVXIXJZQEDJ-NVXWUHKLSA-N 1 1 363.421 1.703 20 30 FDEDMO COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ncccn4)[C@@H]3C2)cc1C#N ZINC001084733205 916656980 /nfs/dbraw/zinc/65/69/80/916656980.db2.gz DXHKVXIXJZQEDJ-NVXWUHKLSA-N 1 1 363.421 1.703 20 30 FDEDMO O=C(Cc1ncc[nH]1)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084741225 916712849 /nfs/dbraw/zinc/71/28/49/916712849.db2.gz VBZBKSDWOJATGT-SJLPKXTDSA-N 1 1 352.413 1.676 20 30 FDEDMO 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/nfs/dbraw/zinc/49/01/94/938490194.db2.gz LONUEQYXTGJGGL-KFWWJZLASA-N 1 1 353.854 1.353 20 30 FDEDMO C#CCNc1nc(N[C@H]2CCCC[C@@H]2O)[nH+]c(N[C@H]2CCCC[C@@H]2O)n1 ZINC000804625108 938494813 /nfs/dbraw/zinc/49/48/13/938494813.db2.gz HEYLKICNKIBTTL-AJNGGQMLSA-N 1 1 360.462 1.348 20 30 FDEDMO C#CCNc1nc(N[C@H]2CCCC[C@@H]2O)nc(N[C@H]2CCCC[C@@H]2O)[nH+]1 ZINC000804625108 938494814 /nfs/dbraw/zinc/49/48/14/938494814.db2.gz HEYLKICNKIBTTL-AJNGGQMLSA-N 1 1 360.462 1.348 20 30 FDEDMO CC(C)(C)C#CC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001129822008 938521850 /nfs/dbraw/zinc/52/18/50/938521850.db2.gz ALHNNEQOEQOGRN-SJORKVTESA-N 1 1 352.442 1.264 20 30 FDEDMO Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2n2ccnn2)o1 ZINC001129822555 938522243 /nfs/dbraw/zinc/52/22/43/938522243.db2.gz XFRVKDMZGDESFG-CVEARBPZSA-N 1 1 356.430 1.084 20 30 FDEDMO C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2conc2CC)[C@@H](n2ccnn2)C1 ZINC001129830087 938523917 /nfs/dbraw/zinc/52/39/17/938523917.db2.gz UOUULDHYSGUVDO-SJORKVTESA-N 1 1 356.430 1.174 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](OCC)C2CC2)C[C@@H]1n1ccnn1 ZINC001129845663 938525581 /nfs/dbraw/zinc/52/55/81/938525581.db2.gz RTNCGNCZUFBMFP-ILXRZTDVSA-N 1 1 353.854 1.187 20 30 FDEDMO C#CCCCC(=O)N1C[C@@H]([NH2+][C@@H](C)c2cnc(C)cn2)[C@@H](n2ccnn2)C1 ZINC001129834078 938533335 /nfs/dbraw/zinc/53/33/35/938533335.db2.gz LPIGZRMHSXOMAI-JQHSSLGASA-N 1 1 367.457 1.283 20 30 FDEDMO C=C(C)CCC(=O)N1C[C@@H]([NH2+]Cc2cc(C)ncn2)[C@@H](n2ccnn2)C1 ZINC001129879102 938536549 /nfs/dbraw/zinc/53/65/49/938536549.db2.gz RPMBTOLCJGQGSG-SJORKVTESA-N 1 1 355.446 1.275 20 30 FDEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nn(CC)nc2C)C1 ZINC001086626323 938574723 /nfs/dbraw/zinc/57/47/23/938574723.db2.gz HBVVJYDOVUKGBF-ZWKOTPCHSA-N 1 1 351.454 1.828 20 30 FDEDMO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nn(CC)nc2C)C1 ZINC001086626323 938574726 /nfs/dbraw/zinc/57/47/26/938574726.db2.gz HBVVJYDOVUKGBF-ZWKOTPCHSA-N 1 1 351.454 1.828 20 30 FDEDMO CC#CCCCC(=O)N1C[C@@H]([NH2+]Cc2conc2CC)[C@@H](n2ccnn2)C1 ZINC001129972862 938591634 /nfs/dbraw/zinc/59/16/34/938591634.db2.gz PHCHXMZLUFVSAB-MSOLQXFVSA-N 1 1 370.457 1.564 20 30 FDEDMO C=C[C@H](CC)CC(=O)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1 ZINC001129978198 938593758 /nfs/dbraw/zinc/59/37/58/938593758.db2.gz VISHGGVGARAWDC-BMFZPTHFSA-N 1 1 360.487 1.879 20 30 FDEDMO C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001130022458 938620424 /nfs/dbraw/zinc/62/04/24/938620424.db2.gz AQRVVVRVTIPRAF-SJORKVTESA-N 1 1 354.458 1.817 20 30 FDEDMO C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2ocnc2C)[C@@H](n2ccnn2)C1 ZINC001130022778 938620995 /nfs/dbraw/zinc/62/09/95/938620995.db2.gz LZIPGLDPFMCLAX-CABCVRRESA-N 1 1 358.446 1.719 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(CCCCC)[nH]n2)C[C@@H]1n1ccnn1 ZINC001130040868 938627198 /nfs/dbraw/zinc/62/71/98/938627198.db2.gz PSLOVFQWLGITDX-MSOLQXFVSA-N 1 1 371.489 1.965 20 30 FDEDMO C#CC[NH2+][C@@H]1CN(C(=O)c2cc(CCCCC)[nH]n2)C[C@@H]1n1ccnn1 ZINC001130040831 938627229 /nfs/dbraw/zinc/62/72/29/938627229.db2.gz OHBCFMTVHNBKOA-SJORKVTESA-N 1 1 355.446 1.022 20 30 FDEDMO C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001086628696 938647757 /nfs/dbraw/zinc/64/77/57/938647757.db2.gz UUPCDIBJWBCXRS-PKOBYXMFSA-N 1 1 364.449 1.954 20 30 FDEDMO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001130086379 938667926 /nfs/dbraw/zinc/66/79/26/938667926.db2.gz YUQUMMXCRWRVPP-XHSDSOJGSA-N 1 1 371.489 1.675 20 30 FDEDMO C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000805073618 938667940 /nfs/dbraw/zinc/66/79/40/938667940.db2.gz QAXSLGOZDUNYRA-MOPGFXCFSA-N 1 1 370.497 1.508 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccs2)[nH]1 ZINC001130181282 938728600 /nfs/dbraw/zinc/72/86/00/938728600.db2.gz FPDCALVJXAWCGX-STQMWFEESA-N 1 1 359.455 1.282 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cncs2)n1 ZINC001130187854 938734102 /nfs/dbraw/zinc/73/41/02/938734102.db2.gz NCKDFKQIJVKMQM-RYUDHWBXSA-N 1 1 362.459 1.229 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cncs2)n[nH]1 ZINC001130187854 938734105 /nfs/dbraw/zinc/73/41/05/938734105.db2.gz NCKDFKQIJVKMQM-RYUDHWBXSA-N 1 1 362.459 1.229 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COCCC)n1 ZINC001130190488 938735433 /nfs/dbraw/zinc/73/54/33/938735433.db2.gz AYHXDVLDTDCZFY-GJZGRUSLSA-N 1 1 365.478 1.276 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COCCC)n[nH]1 ZINC001130190488 938735435 /nfs/dbraw/zinc/73/54/35/938735435.db2.gz AYHXDVLDTDCZFY-GJZGRUSLSA-N 1 1 365.478 1.276 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](C)CCC)[nH]1 ZINC001130193212 938737813 /nfs/dbraw/zinc/73/78/13/938737813.db2.gz MROBLQCNOUUNMJ-PMPSAXMXSA-N 1 1 361.490 1.733 20 30 FDEDMO CCCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C#N)n1 ZINC001130203068 938744900 /nfs/dbraw/zinc/74/49/00/938744900.db2.gz RMHSKNDDSZIMJJ-ILXRZTDVSA-N 1 1 362.478 1.623 20 30 FDEDMO CCCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)C#N)n[nH]1 ZINC001130203068 938744902 /nfs/dbraw/zinc/74/49/02/938744902.db2.gz RMHSKNDDSZIMJJ-ILXRZTDVSA-N 1 1 362.478 1.623 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C=Cc2ccc[nH]2)n1 ZINC001130204748 938745734 /nfs/dbraw/zinc/74/57/34/938745734.db2.gz IYJLJHDTHFDYKW-MIVXPEEVSA-N 1 1 370.457 1.501 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=Cc2ccc[nH]2)n[nH]1 ZINC001130204748 938745735 /nfs/dbraw/zinc/74/57/35/938745735.db2.gz IYJLJHDTHFDYKW-MIVXPEEVSA-N 1 1 370.457 1.501 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2sccc2F)n1 ZINC001130207828 938746954 /nfs/dbraw/zinc/74/69/54/938746954.db2.gz RQJVHFOQGUYRQH-JQWIXIFHSA-N 1 1 365.434 1.583 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2sccc2F)n[nH]1 ZINC001130207828 938746956 /nfs/dbraw/zinc/74/69/56/938746956.db2.gz RQJVHFOQGUYRQH-JQWIXIFHSA-N 1 1 365.434 1.583 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccoc2CC)n1 ZINC001130209515 938747644 /nfs/dbraw/zinc/74/76/44/938747644.db2.gz DXKAHHTZHYATGF-WFASDCNBSA-N 1 1 359.430 1.538 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccoc2CC)n[nH]1 ZINC001130209515 938747645 /nfs/dbraw/zinc/74/76/45/938747645.db2.gz DXKAHHTZHYATGF-WFASDCNBSA-N 1 1 359.430 1.538 20 30 FDEDMO CCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC(C)C)n1 ZINC001130209732 938747936 /nfs/dbraw/zinc/74/79/36/938747936.db2.gz MJPQPUJBOKGDNB-HOTGVXAUSA-N 1 1 361.490 1.733 20 30 FDEDMO CCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC(C)C)n[nH]1 ZINC001130209732 938747937 /nfs/dbraw/zinc/74/79/37/938747937.db2.gz MJPQPUJBOKGDNB-HOTGVXAUSA-N 1 1 361.490 1.733 20 30 FDEDMO O=C(C#CC1CC1)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CCCC2)n[nH]1 ZINC001130212935 938749949 /nfs/dbraw/zinc/74/99/49/938749949.db2.gz LIVDGWAFODADFF-IRXDYDNUSA-N 1 1 371.485 1.487 20 30 FDEDMO O=C(C#CC1CC1)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CCCC2)n1 ZINC001130212935 938749950 /nfs/dbraw/zinc/74/99/50/938749950.db2.gz LIVDGWAFODADFF-IRXDYDNUSA-N 1 1 371.485 1.487 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]2(C)CC=CCC2)[nH]1 ZINC001130212976 938750057 /nfs/dbraw/zinc/75/00/57/938750057.db2.gz NLGWEAPLCHVORL-TWOQFEAHSA-N 1 1 371.485 1.653 20 30 FDEDMO C=CC(C)(C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CC)[nH]1 ZINC001130215663 938752006 /nfs/dbraw/zinc/75/20/06/938752006.db2.gz AXPDBWAYIGMVSH-GJZGRUSLSA-N 1 1 359.474 1.509 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2C=CC=CC=C2)n1 ZINC001130216494 938753011 /nfs/dbraw/zinc/75/30/11/938753011.db2.gz YULIZVGPFLZWTA-IRXDYDNUSA-N 1 1 369.469 1.758 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2C=CC=CC=C2)n[nH]1 ZINC001130216494 938753013 /nfs/dbraw/zinc/75/30/13/938753013.db2.gz YULIZVGPFLZWTA-IRXDYDNUSA-N 1 1 369.469 1.758 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H]2C=CCCC2)n1 ZINC001130220855 938756508 /nfs/dbraw/zinc/75/65/08/938756508.db2.gz OVDGDJGUCSVJJB-ULQDDVLXSA-N 1 1 371.485 1.653 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H]2C=CCCC2)n[nH]1 ZINC001130220855 938756509 /nfs/dbraw/zinc/75/65/09/938756509.db2.gz OVDGDJGUCSVJJB-ULQDDVLXSA-N 1 1 371.485 1.653 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCC23CC3)[nH]1 ZINC001130221131 938756775 /nfs/dbraw/zinc/75/67/75/938756775.db2.gz WBYMATMXEIJGCQ-JYJNAYRXSA-N 1 1 371.485 1.487 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCC(F)F)n1 ZINC001130223106 938757066 /nfs/dbraw/zinc/75/70/66/938757066.db2.gz MEOKTNRRNJTNJW-RYUDHWBXSA-N 1 1 357.405 1.504 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCC(F)F)n[nH]1 ZINC001130223106 938757069 /nfs/dbraw/zinc/75/70/69/938757069.db2.gz MEOKTNRRNJTNJW-RYUDHWBXSA-N 1 1 357.405 1.504 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)n1 ZINC001130223418 938757432 /nfs/dbraw/zinc/75/74/32/938757432.db2.gz SNPQGCAUUMBJOB-VIQHNZTISA-N 1 1 373.501 1.895 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)n[nH]1 ZINC001130223418 938757433 /nfs/dbraw/zinc/75/74/33/938757433.db2.gz SNPQGCAUUMBJOB-VIQHNZTISA-N 1 1 373.501 1.895 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C23CCC(CC2)C3)[nH]1 ZINC001130223403 938757485 /nfs/dbraw/zinc/75/74/85/938757485.db2.gz RNDNLRNQIQGQGW-LPRCSBTHSA-N 1 1 357.458 1.097 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(F)c[nH]2)n1 ZINC001130224887 938758813 /nfs/dbraw/zinc/75/88/13/938758813.db2.gz HRYHBPCWSFIKBH-JSGCOSHPSA-N 1 1 362.409 1.240 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(F)c[nH]2)n[nH]1 ZINC001130224887 938758815 /nfs/dbraw/zinc/75/88/15/938758815.db2.gz HRYHBPCWSFIKBH-JSGCOSHPSA-N 1 1 362.409 1.240 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](CCC)OC)n1 ZINC001130225234 938759795 /nfs/dbraw/zinc/75/97/95/938759795.db2.gz YPZYUYJVVPANAI-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](CCC)OC)n[nH]1 ZINC001130225234 938759796 /nfs/dbraw/zinc/75/97/96/938759796.db2.gz YPZYUYJVVPANAI-KKUMJFAQSA-N 1 1 365.478 1.274 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2C[C@H]2C2CC2)n1 ZINC001130227799 938761741 /nfs/dbraw/zinc/76/17/41/938761741.db2.gz PVBLKFDSXSLVRP-QAETUUGQSA-N 1 1 373.501 1.895 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H]2C[C@H]2C2CC2)n[nH]1 ZINC001130227799 938761742 /nfs/dbraw/zinc/76/17/42/938761742.db2.gz PVBLKFDSXSLVRP-QAETUUGQSA-N 1 1 373.501 1.895 20 30 FDEDMO C=CC(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)OC)n[nH]1 ZINC001130227917 938762128 /nfs/dbraw/zinc/76/21/28/938762128.db2.gz VOOKJLSAEWLQLI-IHRRRGAJSA-N 1 1 365.478 1.130 20 30 FDEDMO C=CC(C)(C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)OC)n1 ZINC001130227917 938762130 /nfs/dbraw/zinc/76/21/30/938762130.db2.gz VOOKJLSAEWLQLI-IHRRRGAJSA-N 1 1 365.478 1.130 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CC)CCC2)[nH]1 ZINC001130230351 938763911 /nfs/dbraw/zinc/76/39/11/938763911.db2.gz UHZMYYBUAXHYPD-GJZGRUSLSA-N 1 1 359.474 1.487 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CC)CCC2)n1 ZINC001130230379 938764209 /nfs/dbraw/zinc/76/42/09/938764209.db2.gz VPKGKONRYBTFOL-GJZGRUSLSA-N 1 1 359.474 1.487 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(CC)CCC2)n[nH]1 ZINC001130230379 938764211 /nfs/dbraw/zinc/76/42/11/938764211.db2.gz VPKGKONRYBTFOL-GJZGRUSLSA-N 1 1 359.474 1.487 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(CCC)CC2)n1 ZINC001130232705 938765073 /nfs/dbraw/zinc/76/50/73/938765073.db2.gz OSVAGORUJKJCLV-GJZGRUSLSA-N 1 1 359.474 1.487 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(CCC)CC2)n[nH]1 ZINC001130232705 938765076 /nfs/dbraw/zinc/76/50/76/938765076.db2.gz OSVAGORUJKJCLV-GJZGRUSLSA-N 1 1 359.474 1.487 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc[nH]c2CCC)[nH]1 ZINC001130234589 938765934 /nfs/dbraw/zinc/76/59/34/938765934.db2.gz CIDQKEWBDQLEDX-HOCLYGCPSA-N 1 1 370.457 1.111 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc[nH]c2CCC)n[nH]1 ZINC001130234589 938765936 /nfs/dbraw/zinc/76/59/36/938765936.db2.gz CIDQKEWBDQLEDX-HOCLYGCPSA-N 1 1 370.457 1.111 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C)CC=CC2)n1 ZINC001130234772 938766094 /nfs/dbraw/zinc/76/60/94/938766094.db2.gz KUPVUKGDAULHPI-GJZGRUSLSA-N 1 1 357.458 1.263 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(C)CC=CC2)n[nH]1 ZINC001130234772 938766096 /nfs/dbraw/zinc/76/60/96/938766096.db2.gz KUPVUKGDAULHPI-GJZGRUSLSA-N 1 1 357.458 1.263 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC23CCCC3)[nH]1 ZINC001130244149 938770142 /nfs/dbraw/zinc/77/01/42/938770142.db2.gz BQEJDQDFYMCPHN-KKUMJFAQSA-N 1 1 357.458 1.097 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C)c(C)c2)n1 ZINC001130248955 938773171 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/nfs/dbraw/zinc/00/70/33/180007033.db2.gz KERJSEDIUQNHCR-RHSMWYFYSA-N 1 1 354.458 1.268 20 30 FDEDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000268187752 180020086 /nfs/dbraw/zinc/02/00/86/180020086.db2.gz UZFCGIQAVXAOEJ-JXFKEZNVSA-N 1 1 367.497 1.868 20 30 FDEDMO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000268225493 180029740 /nfs/dbraw/zinc/02/97/40/180029740.db2.gz REWCYBBVSAOWCX-KZULUSFZSA-N 1 1 366.469 1.749 20 30 FDEDMO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000268225495 180029783 /nfs/dbraw/zinc/02/97/83/180029783.db2.gz REWCYBBVSAOWCX-XIKOKIGWSA-N 1 1 366.469 1.749 20 30 FDEDMO C[C@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@]2(CCCOC2)O1 ZINC000528487565 539762139 /nfs/dbraw/zinc/76/21/39/539762139.db2.gz LHBUDAUNKWSAHS-HRAATJIYSA-N 1 1 368.433 1.556 20 30 FDEDMO C[C@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@]2(CCCOC2)O1 ZINC000528487565 539762144 /nfs/dbraw/zinc/76/21/44/539762144.db2.gz LHBUDAUNKWSAHS-HRAATJIYSA-N 1 1 368.433 1.556 20 30 FDEDMO COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000269008186 180197120 /nfs/dbraw/zinc/19/71/20/180197120.db2.gz LORZCDOELZDFNC-GOEBONIOSA-N 1 1 356.426 1.448 20 30 FDEDMO N#Cc1ccc(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cn1 ZINC000529003067 539798887 /nfs/dbraw/zinc/79/88/87/539798887.db2.gz XAODJPXWXKNLLY-HXUWFJFHSA-N 1 1 364.449 1.769 20 30 FDEDMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000529834877 539863079 /nfs/dbraw/zinc/86/30/79/539863079.db2.gz IHJORAGPWJOMQQ-ICSRJNTNSA-N 1 1 365.433 1.991 20 30 FDEDMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000529834877 539863082 /nfs/dbraw/zinc/86/30/82/539863082.db2.gz IHJORAGPWJOMQQ-ICSRJNTNSA-N 1 1 365.433 1.991 20 30 FDEDMO N#Cc1ccccc1OC[C@H](O)CNC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000530233625 539916387 /nfs/dbraw/zinc/91/63/87/539916387.db2.gz ZDHLXDGKAGQHBB-AABGKKOBSA-N 1 1 373.497 1.655 20 30 FDEDMO Cc1nn(C)c(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)c1C#N ZINC000530360998 539950401 /nfs/dbraw/zinc/95/04/01/539950401.db2.gz XXLUVPWRRLSXPY-INIZCTEOSA-N 1 1 355.442 1.162 20 30 FDEDMO Cc1nn(C)c(N2CC[NH+](C[C@@H](O)COc3ccc(F)cc3)CC2)c1C#N ZINC000530414180 539965197 /nfs/dbraw/zinc/96/51/97/539965197.db2.gz ZCTUVGXXSQZQKW-MRXNPFEDSA-N 1 1 373.432 1.301 20 30 FDEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000530566960 540000719 /nfs/dbraw/zinc/00/07/19/540000719.db2.gz OPAUGCGQHCMNCE-AWEZNQCLSA-N 1 1 358.442 1.742 20 30 FDEDMO C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000530806304 540046025 /nfs/dbraw/zinc/04/60/25/540046025.db2.gz KONPOPQDRATACJ-LLVKDONJSA-N 1 1 366.368 1.556 20 30 FDEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000275102924 181238820 /nfs/dbraw/zinc/23/88/20/181238820.db2.gz LFONDSQHJKRCEV-KBPBESRZSA-N 1 1 371.359 1.298 20 30 FDEDMO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@@H](Cn4ccnn4)C3)C2=O)cc1 ZINC000533549409 540262139 /nfs/dbraw/zinc/26/21/39/540262139.db2.gz CGLMNPULXUUMML-WBVHZDCISA-N 1 1 364.409 1.194 20 30 FDEDMO C=CCOc1cccnc1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000537160174 540693686 /nfs/dbraw/zinc/69/36/86/540693686.db2.gz FQWNZKIMPDPYBH-KRWDZBQOSA-N 1 1 358.486 1.889 20 30 FDEDMO C=CCCOCCCCC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000537187857 540697884 /nfs/dbraw/zinc/69/78/84/540697884.db2.gz CAGUWRPLJHJIDA-KRWDZBQOSA-N 1 1 351.491 1.514 20 30 FDEDMO CS[C@@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1[NH+](C)C ZINC000537288891 540712927 /nfs/dbraw/zinc/71/29/27/540712927.db2.gz AOFONZTVCWNORA-JKSUJKDBSA-N 1 1 353.513 1.309 20 30 FDEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@]3(CCCOC3)C2)CC1 ZINC000538147614 540816803 /nfs/dbraw/zinc/81/68/03/540816803.db2.gz NYOHBVOFRRBMAM-UYAOXDASSA-N 1 1 362.518 1.571 20 30 FDEDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC[N@H+]1C ZINC000538918986 540908490 /nfs/dbraw/zinc/90/84/90/540908490.db2.gz SQAUAEUMTODNTF-KGLIPLIRSA-N 1 1 364.471 1.043 20 30 FDEDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC[N@@H+]1C ZINC000538918986 540908493 /nfs/dbraw/zinc/90/84/93/540908493.db2.gz SQAUAEUMTODNTF-KGLIPLIRSA-N 1 1 364.471 1.043 20 30 FDEDMO C=CC[C@H](CO)CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000540387190 541053372 /nfs/dbraw/zinc/05/33/72/541053372.db2.gz QSBAGAAWRWNDFV-KRWDZBQOSA-N 1 1 374.485 1.058 20 30 FDEDMO C=CC[C@H](CO)CNC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000540414247 541055856 /nfs/dbraw/zinc/05/58/56/541055856.db2.gz WWPZOHVDGYYPOY-NZSAHSFTSA-N 1 1 361.486 1.760 20 30 FDEDMO C=CC[C@H](CO)CNC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000540414247 541055858 /nfs/dbraw/zinc/05/58/58/541055858.db2.gz WWPZOHVDGYYPOY-NZSAHSFTSA-N 1 1 361.486 1.760 20 30 FDEDMO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H]4[C@@H]3CCCN4CCO)C2=O)cc1 ZINC000934263990 781941420 /nfs/dbraw/zinc/94/14/20/781941420.db2.gz LGANVAXTSJSHRG-FHWLQOOXSA-N 1 1 354.454 1.195 20 30 FDEDMO N#Cc1ccc(N2CC[C@H](N3CC[C@H]4[C@@H]3CCC[N@H+]4CCO)C2=O)cc1 ZINC000934263990 781941424 /nfs/dbraw/zinc/94/14/24/781941424.db2.gz LGANVAXTSJSHRG-FHWLQOOXSA-N 1 1 354.454 1.195 20 30 FDEDMO N#Cc1ccc(N2CC[C@H](N3CC[C@H]4[C@@H]3CCC[N@@H+]4CCO)C2=O)cc1 ZINC000934263990 781941427 /nfs/dbraw/zinc/94/14/27/781941427.db2.gz LGANVAXTSJSHRG-FHWLQOOXSA-N 1 1 354.454 1.195 20 30 FDEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000934265862 781945069 /nfs/dbraw/zinc/94/50/69/781945069.db2.gz XLMPTBGRHFIWDD-MISYRCLQSA-N 1 1 370.497 1.853 20 30 FDEDMO Cc1onc(CC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000540925874 541115699 /nfs/dbraw/zinc/11/56/99/541115699.db2.gz YVDVKCFTMZJPNW-IBGZPJMESA-N 1 1 354.410 1.150 20 30 FDEDMO C[C@@H](C#N)CNC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000541948260 541304835 /nfs/dbraw/zinc/30/48/35/541304835.db2.gz PFQQDMWGCVINGN-HNNXBMFYSA-N 1 1 373.457 1.306 20 30 FDEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](CO)c2cccc(F)c2)CC1 ZINC000541954585 541306681 /nfs/dbraw/zinc/30/66/81/541306681.db2.gz FPHJCJMOXAVFIK-MSOLQXFVSA-N 1 1 362.449 1.141 20 30 FDEDMO C=CCNC(=O)NC(=O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000541981832 541312470 /nfs/dbraw/zinc/31/24/70/541312470.db2.gz DWFCBTFHIWWDKL-LBPRGKRZSA-N 1 1 356.220 1.084 20 30 FDEDMO C[S@@](=O)C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000542539128 541422071 /nfs/dbraw/zinc/42/20/71/541422071.db2.gz UPYWDFLESKTRTL-AVRWGWEMSA-N 1 1 355.463 1.884 20 30 FDEDMO COC(=O)COc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000543986710 541696334 /nfs/dbraw/zinc/69/63/34/541696334.db2.gz HCJGKQZYJAUDQB-UHFFFAOYSA-N 1 1 366.421 1.827 20 30 FDEDMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccc(CC#N)cc2)C1 ZINC000544145690 541721962 /nfs/dbraw/zinc/72/19/62/541721962.db2.gz SSYVRISUYAKZIV-SFHVURJKSA-N 1 1 357.454 1.986 20 30 FDEDMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccc(CC#N)cc2)C1 ZINC000544145690 541721966 /nfs/dbraw/zinc/72/19/66/541721966.db2.gz SSYVRISUYAKZIV-SFHVURJKSA-N 1 1 357.454 1.986 20 30 FDEDMO N#Cc1cccc(N2CCN(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)CC2)n1 ZINC000544854393 541843605 /nfs/dbraw/zinc/84/36/05/541843605.db2.gz LOHGNBHJHOBSRO-HNNXBMFYSA-N 1 1 354.458 1.269 20 30 FDEDMO Cc1cc(C#N)ccc1S(=O)(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000282377346 182001091 /nfs/dbraw/zinc/00/10/91/182001091.db2.gz CJEVSIYWIBGKMS-UHFFFAOYSA-N 1 1 350.488 1.171 20 30 FDEDMO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cc(C#N)ccn1 ZINC000282924983 182078090 /nfs/dbraw/zinc/07/80/90/182078090.db2.gz FNSPWHHFWCHRTE-MRXNPFEDSA-N 1 1 358.442 1.833 20 30 FDEDMO COc1cc(C#N)ccc1NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000545296465 541928522 /nfs/dbraw/zinc/92/85/22/541928522.db2.gz WCMBCAKOBODETF-GASCZTMLSA-N 1 1 372.469 1.990 20 30 FDEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NCc2cccc(C#N)c2)C1 ZINC000284059785 182352137 /nfs/dbraw/zinc/35/21/37/182352137.db2.gz QPNKMQMLCMJYTM-IYBDPMFKSA-N 1 1 356.470 1.659 20 30 FDEDMO C[C@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)C1=CC[N@@H+](C)CC1 ZINC000545480247 541982420 /nfs/dbraw/zinc/98/24/20/541982420.db2.gz FMDJGCJXPSSKQP-HNNXBMFYSA-N 1 1 354.458 1.435 20 30 FDEDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(C#N)cc2OC)CC1 ZINC000545998570 542071119 /nfs/dbraw/zinc/07/11/19/542071119.db2.gz BSKXBUGIXJPQSW-ZDUSSCGKSA-N 1 1 360.414 1.668 20 30 FDEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C(C)C)C1 ZINC000286412327 183060318 /nfs/dbraw/zinc/06/03/18/183060318.db2.gz CRKMXNRJYALLJG-SFHVURJKSA-N 1 1 372.469 1.132 20 30 FDEDMO C[C@@H](NC(=O)NCCn1cnc(C#N)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000286589285 183104463 /nfs/dbraw/zinc/10/44/63/183104463.db2.gz APFJEMFNBPGYTP-WBVHZDCISA-N 1 1 367.457 1.360 20 30 FDEDMO C[C@H](NC(=O)NCCn1cnc(C#N)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000286589273 183104606 /nfs/dbraw/zinc/10/46/06/183104606.db2.gz APFJEMFNBPGYTP-DOTOQJQBSA-N 1 1 367.457 1.360 20 30 FDEDMO CN(C[C@@H]1CC[N@@H+](C)C1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000287002102 183191143 /nfs/dbraw/zinc/19/11/43/183191143.db2.gz UDCZVDXVHCLEPJ-LLVKDONJSA-N 1 1 372.288 1.893 20 30 FDEDMO CN(C)c1[nH+]cc(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)n1C ZINC000294862736 184014723 /nfs/dbraw/zinc/01/47/23/184014723.db2.gz TWAUHDYPEAIKAI-UHFFFAOYSA-N 1 1 352.320 1.702 20 30 FDEDMO Cc1oc(NC(=O)[C@H](C)N2CCC[C@H](c3n[nH]c(=O)o3)C2)c(C#N)c1C ZINC000295356427 184062077 /nfs/dbraw/zinc/06/20/77/184062077.db2.gz OEBADFLUNVCEDU-JQWIXIFHSA-N 1 1 359.386 1.651 20 30 FDEDMO N#Cc1cccc(OCc2ccoc2C(=O)NCC[NH+]2CCC(O)CC2)c1 ZINC000296758543 184197703 /nfs/dbraw/zinc/19/77/03/184197703.db2.gz BPBVZOQBZBIOLK-UHFFFAOYSA-N 1 1 369.421 1.917 20 30 FDEDMO C[N@H+]1CCC[C@]2(CCN(S(=O)(=O)Cc3ccc(F)cc3C#N)C2)C1 ZINC000297142709 184238243 /nfs/dbraw/zinc/23/82/43/184238243.db2.gz QWQLNFULYZIJDY-KRWDZBQOSA-N 1 1 351.447 1.945 20 30 FDEDMO CN(CC1CC1)C(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000297673200 184304942 /nfs/dbraw/zinc/30/49/42/184304942.db2.gz CVTIOLOEOSUSST-UHFFFAOYSA-N 1 1 354.454 1.461 20 30 FDEDMO CN(CC1CC1)C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000297673200 184304944 /nfs/dbraw/zinc/30/49/44/184304944.db2.gz CVTIOLOEOSUSST-UHFFFAOYSA-N 1 1 354.454 1.461 20 30 FDEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000298001456 184373009 /nfs/dbraw/zinc/37/30/09/184373009.db2.gz XXRUCQFMLBRVRI-OAHLLOKOSA-N 1 1 356.470 1.896 20 30 FDEDMO C[NH+](C)CCN(C(=O)/C=C/c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000298068373 184385782 /nfs/dbraw/zinc/38/57/82/184385782.db2.gz JUKFDBGZPIJVSY-OZSKJFCKSA-N 1 1 361.467 1.149 20 30 FDEDMO C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000549290623 542862658 /nfs/dbraw/zinc/86/26/58/542862658.db2.gz BXHCLKVMHRTCDL-QGZVFWFLSA-N 1 1 371.489 1.237 20 30 FDEDMO C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000549290623 542862663 /nfs/dbraw/zinc/86/26/63/542862663.db2.gz BXHCLKVMHRTCDL-QGZVFWFLSA-N 1 1 371.489 1.237 20 30 FDEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000549827449 542949944 /nfs/dbraw/zinc/94/99/44/542949944.db2.gz OEWVRZYPENAFOV-GOEBONIOSA-N 1 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Cc1c(C#N)cccc1NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000602899787 553664853 /nfs/dbraw/zinc/66/48/53/553664853.db2.gz RBRIYUPVPZCTNF-SFHVURJKSA-N 1 1 371.485 1.785 20 30 FDEDMO COCc1ncc2c(n1)CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)C2 ZINC000602927450 553671004 /nfs/dbraw/zinc/67/10/04/553671004.db2.gz HNEHZNMIEUWUQZ-UHFFFAOYSA-N 1 1 351.410 1.882 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@](COC)(C(=O)OC(C)(C)C)C1 ZINC000602959883 553680612 /nfs/dbraw/zinc/68/06/12/553680612.db2.gz BPODYSCLSLQITH-ACJLOTCBSA-N 1 1 369.462 1.067 20 30 FDEDMO COC(=O)[C@@H]([NH2+]CCCNC(=O)c1c(F)cc(C#N)cc1F)C(C)C ZINC000603063894 553704519 /nfs/dbraw/zinc/70/45/19/553704519.db2.gz VSUOHZOOIMJLKA-HNNXBMFYSA-N 1 1 353.369 1.744 20 30 FDEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000603109696 553710386 /nfs/dbraw/zinc/71/03/86/553710386.db2.gz DUITUSVFWLYZMX-QGTPRVQTSA-N 1 1 357.454 1.941 20 30 FDEDMO CCN(CCC#N)C(=O)Cn1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1 ZINC000603207643 553732034 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FDEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000603603219 553805163 /nfs/dbraw/zinc/80/51/63/553805163.db2.gz VSPOINVZJVGTGE-QGZVFWFLSA-N 1 1 358.486 1.903 20 30 FDEDMO N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000603919467 553830056 /nfs/dbraw/zinc/83/00/56/553830056.db2.gz JQYSOYDPIVANDR-IAGOWNOFSA-N 1 1 361.467 1.216 20 30 FDEDMO C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC[N@H+](CC)C2CC2)cc1 ZINC000606092893 554043067 /nfs/dbraw/zinc/04/30/67/554043067.db2.gz BKMKFBRBVFNTGJ-UHFFFAOYSA-N 1 1 373.457 1.533 20 30 FDEDMO C[NH+](C)CCn1ccc(=NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)[nH]1 ZINC000609099546 554337530 /nfs/dbraw/zinc/33/75/30/554337530.db2.gz JDGKXCTZWFVLHE-KRWDZBQOSA-N 1 1 352.442 1.924 20 30 FDEDMO C[NH+](C)[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1ccco1 ZINC000609159049 554345028 /nfs/dbraw/zinc/34/50/28/554345028.db2.gz KLWREFRJPWJOPU-MRXNPFEDSA-N 1 1 364.409 1.952 20 30 FDEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cc(C#N)ccc2OC)CC1=O ZINC000609213770 554350062 /nfs/dbraw/zinc/35/00/62/554350062.db2.gz ICMHCHXASPQGEE-JKSUJKDBSA-N 1 1 370.453 1.838 20 30 FDEDMO N#CCn1c(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc2ccccc21 ZINC000609284959 554359555 /nfs/dbraw/zinc/35/95/55/554359555.db2.gz BCPSJNAZHNKPOZ-MJGOQNOKSA-N 1 1 352.438 1.836 20 30 FDEDMO CC[C@@](C)(C#N)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C ZINC000609447447 554377464 /nfs/dbraw/zinc/37/74/64/554377464.db2.gz MTMYDYRMQVPVDJ-IBGZPJMESA-N 1 1 352.442 1.986 20 30 FDEDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cc2ccccc2n1CC#N ZINC000609526142 554387233 /nfs/dbraw/zinc/38/72/33/554387233.db2.gz YOUXVNXGJFSNPL-UHFFFAOYSA-N 1 1 353.470 1.874 20 30 FDEDMO CC[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@H](C)CS(C)(=O)=O ZINC000609578726 554396212 /nfs/dbraw/zinc/39/62/12/554396212.db2.gz ATXDCQRPEOCIQG-ZBFHGGJFSA-N 1 1 354.472 1.247 20 30 FDEDMO CC[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@H](C)CS(C)(=O)=O ZINC000609578726 554396215 /nfs/dbraw/zinc/39/62/15/554396215.db2.gz ATXDCQRPEOCIQG-ZBFHGGJFSA-N 1 1 354.472 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FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccn(C)c3)C[C@@H]2C1 ZINC000985942405 830183129 /nfs/dbraw/zinc/18/31/29/830183129.db2.gz ICUGVDKCCAJDHF-NEWSRXKRSA-N 1 1 368.481 1.043 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccn(C)c3)C[C@@H]2C1 ZINC000985942405 830183132 /nfs/dbraw/zinc/18/31/32/830183132.db2.gz ICUGVDKCCAJDHF-NEWSRXKRSA-N 1 1 368.481 1.043 20 30 FDEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)CSCC(=O)Nc1cc(C)on1 ZINC000729809801 837434133 /nfs/dbraw/zinc/43/41/33/837434133.db2.gz PLZLXUKLLGDRFW-CYBMUJFWSA-N 1 1 351.428 1.296 20 30 FDEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CSCC(=O)Nc1cc(C)on1 ZINC000729809801 837434142 /nfs/dbraw/zinc/43/41/42/837434142.db2.gz PLZLXUKLLGDRFW-CYBMUJFWSA-N 1 1 351.428 1.296 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088462242 830496344 /nfs/dbraw/zinc/49/63/44/830496344.db2.gz MQMAYGNGLHOYBP-DYVFJYSZSA-N 1 1 358.417 1.399 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CC[N@H+]1Cc1ccc(C#N)cc1F 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QKXJNPPICFRXON-KSZLIROESA-N 1 1 359.514 1.991 20 30 FDEDMO C#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)CC[C@@H]3C2)cc1 ZINC000986470736 831732167 /nfs/dbraw/zinc/73/21/67/831732167.db2.gz OSAOPRXFIGIXEO-HSALFYBXSA-N 1 1 365.477 1.683 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CNC(=O)[C@H](C)CC)C[C@H]1C(F)(F)F ZINC001112208273 831956287 /nfs/dbraw/zinc/95/62/87/831956287.db2.gz PEABWSWTBOBANO-YUSALJHKSA-N 1 1 369.815 1.880 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1ccc2c(c1)nnn2C ZINC001088513505 832330415 /nfs/dbraw/zinc/33/04/15/832330415.db2.gz VKFNHTLSRZWMMY-DOMZBBRYSA-N 1 1 363.425 1.561 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](C)[C@H](C)c2nncn2C)CC1 ZINC001029998550 832345539 /nfs/dbraw/zinc/34/55/39/832345539.db2.gz WSRYBFXEAKWCIG-OIISXLGYSA-N 1 1 361.490 1.638 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@H+](C)[C@H](C)c2nncn2C)CC1 ZINC001029998550 832345547 /nfs/dbraw/zinc/34/55/47/832345547.db2.gz WSRYBFXEAKWCIG-OIISXLGYSA-N 1 1 361.490 1.638 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)Cc2ncnn2C)CC1 ZINC001030002191 832365490 /nfs/dbraw/zinc/36/54/90/832365490.db2.gz FEOZCUFGAGBLKT-WMZOPIPTSA-N 1 1 361.490 1.467 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[N@H+](C)Cc2ncnn2C)CC1 ZINC001030002191 832365499 /nfs/dbraw/zinc/36/54/99/832365499.db2.gz FEOZCUFGAGBLKT-WMZOPIPTSA-N 1 1 361.490 1.467 20 30 FDEDMO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC001088522955 832404428 /nfs/dbraw/zinc/40/44/28/832404428.db2.gz LBLOFQPSDRFERI-OIISXLGYSA-N 1 1 371.485 1.870 20 30 FDEDMO CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC001088522955 832404434 /nfs/dbraw/zinc/40/44/34/832404434.db2.gz LBLOFQPSDRFERI-OIISXLGYSA-N 1 1 371.485 1.870 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2COCCN2C)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088531351 832470099 /nfs/dbraw/zinc/47/00/99/832470099.db2.gz FCEAKDFMQMGSCY-JEBQAFNWSA-N 1 1 360.433 1.107 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2COCCN2C)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088531351 832470107 /nfs/dbraw/zinc/47/01/07/832470107.db2.gz FCEAKDFMQMGSCY-JEBQAFNWSA-N 1 1 360.433 1.107 20 30 FDEDMO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H]1C)n1cncn1 ZINC001088530723 832479128 /nfs/dbraw/zinc/47/91/28/832479128.db2.gz IKIBNEPADFDNJA-VKJFTORMSA-N 1 1 368.441 1.521 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1CC(=O)N1CCCCCC1 ZINC001088533150 832488315 /nfs/dbraw/zinc/48/83/15/832488315.db2.gz CARIFZOJUXPXJW-PBHICJAKSA-N 1 1 357.458 1.482 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CC(=O)N1CCCCCC1 ZINC001088533150 832488318 /nfs/dbraw/zinc/48/83/18/832488318.db2.gz CARIFZOJUXPXJW-PBHICJAKSA-N 1 1 357.458 1.482 20 30 FDEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@H]2C)cn1 ZINC000987974159 833851664 /nfs/dbraw/zinc/85/16/64/833851664.db2.gz GCXPRFIPXOCWQM-MNEFBYGVSA-N 1 1 368.481 1.655 20 30 FDEDMO C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC000988322071 834374653 /nfs/dbraw/zinc/37/46/53/834374653.db2.gz JPEQTHJYRURLSY-VQHPVUNQSA-N 1 1 358.486 1.734 20 30 FDEDMO CC(=NNC1=[NH+]CCN1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000841662357 834407203 /nfs/dbraw/zinc/40/72/03/834407203.db2.gz WQPQRTVZNQRMID-UHFFFAOYSA-N 1 1 352.192 1.053 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088562302 834568380 /nfs/dbraw/zinc/56/83/80/834568380.db2.gz OHZHGCRAHUVTFH-ACJLOTCBSA-N 1 1 355.417 1.753 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088562302 834568389 /nfs/dbraw/zinc/56/83/89/834568389.db2.gz OHZHGCRAHUVTFH-ACJLOTCBSA-N 1 1 355.417 1.753 20 30 FDEDMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NCC(C)(C)CC#N)CC2)C1 ZINC000459262020 834900592 /nfs/dbraw/zinc/90/05/92/834900592.db2.gz SYWVWGBWQLKNRN-KRWDZBQOSA-N 1 1 365.522 1.363 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088574249 834917484 /nfs/dbraw/zinc/91/74/84/834917484.db2.gz LFKUQOJVUDVADC-VVWQDTPRSA-N 1 1 371.456 1.671 20 30 FDEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088574249 834917485 /nfs/dbraw/zinc/91/74/85/834917485.db2.gz LFKUQOJVUDVADC-VVWQDTPRSA-N 1 1 371.456 1.671 20 30 FDEDMO N#CCOc1cc(F)ccc1NC(=S)NCCC[NH+]1CCOCC1 ZINC000760280674 835294817 /nfs/dbraw/zinc/29/48/17/835294817.db2.gz CNHXGQGPGBJZDE-UHFFFAOYSA-N 1 1 352.435 1.737 20 30 FDEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000532948788 835572632 /nfs/dbraw/zinc/57/26/32/835572632.db2.gz MAHFFJHLUFNRKL-UHFFFAOYSA-N 1 1 354.454 1.212 20 30 FDEDMO CC(C)N1C[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)[C@@H]2C)CC1=O ZINC001088601608 835945188 /nfs/dbraw/zinc/94/51/88/835945188.db2.gz GXGQCVLJJFCRBT-MNEFBYGVSA-N 1 1 368.481 1.894 20 30 FDEDMO CCN1C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)[C@@H]2C)CC1=O ZINC001088602364 835948284 /nfs/dbraw/zinc/94/82/84/835948284.db2.gz FGMQAUPRIJUYRZ-IOASZLSFSA-N 1 1 360.483 1.567 20 30 FDEDMO CCN1C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)[C@@H]2C)CC1=O ZINC001088602364 835948288 /nfs/dbraw/zinc/94/82/88/835948288.db2.gz FGMQAUPRIJUYRZ-IOASZLSFSA-N 1 1 360.483 1.567 20 30 FDEDMO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1OC ZINC001211994522 836014959 /nfs/dbraw/zinc/01/49/59/836014959.db2.gz BPZDZMLTKLDBMB-MGPQQGTHSA-N 1 1 350.406 1.065 20 30 FDEDMO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1OC ZINC001211994522 836014962 /nfs/dbraw/zinc/01/49/62/836014962.db2.gz BPZDZMLTKLDBMB-MGPQQGTHSA-N 1 1 350.406 1.065 20 30 FDEDMO COC[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1OC ZINC001212013178 836277147 /nfs/dbraw/zinc/27/71/47/836277147.db2.gz YWCIMPMALHTGTH-BMGDILEWSA-N 1 1 361.442 1.187 20 30 FDEDMO COC[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1OC ZINC001212013178 836277158 /nfs/dbraw/zinc/27/71/58/836277158.db2.gz YWCIMPMALHTGTH-BMGDILEWSA-N 1 1 361.442 1.187 20 30 FDEDMO 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KMQGFFOEBKFIML-SJORKVTESA-N 1 1 354.458 1.735 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CC(F)(F)C2)CCO1 ZINC001035371140 885929098 /nfs/dbraw/zinc/92/90/98/885929098.db2.gz XAXAQUMEAFMKRW-OAGGEKHMSA-N 1 1 358.429 1.830 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CC(F)(F)C2)CCO1 ZINC001035371140 885929109 /nfs/dbraw/zinc/92/91/09/885929109.db2.gz XAXAQUMEAFMKRW-OAGGEKHMSA-N 1 1 358.429 1.830 20 30 FDEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](CCC)c2ccccn2)[C@@H](n2ccnn2)C1 ZINC001129200264 886318126 /nfs/dbraw/zinc/31/81/26/886318126.db2.gz SSUPVFMYDGBTSN-JQHSSLGASA-N 1 1 354.458 1.785 20 30 FDEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CCC)c2ccccn2)[C@@H](n2ccnn2)C1 ZINC001129200264 886318141 /nfs/dbraw/zinc/31/81/41/886318141.db2.gz SSUPVFMYDGBTSN-JQHSSLGASA-N 1 1 354.458 1.785 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C2CCC(OC)CC2)[C@@H](n2ccnn2)C1 ZINC001129209527 886567966 /nfs/dbraw/zinc/56/79/66/886567966.db2.gz INENYLUDFZVSQW-HIEASXQVSA-N 1 1 361.490 1.791 20 30 FDEDMO C=CCCOCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001060740861 886669253 /nfs/dbraw/zinc/66/92/53/886669253.db2.gz YDBQAXVQNMPFQO-BRSBDYLESA-N 1 1 365.518 1.711 20 30 FDEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CCOC(C)C)C[C@@H]2n2ccnn2)CC1 ZINC001129228299 886706830 /nfs/dbraw/zinc/70/68/30/886706830.db2.gz MEIGIKSMUBKWOI-MSOLQXFVSA-N 1 1 361.490 1.791 20 30 FDEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1n1ccnn1 ZINC001129238706 886746082 /nfs/dbraw/zinc/74/60/82/886746082.db2.gz GIDSRMWAIHKSIP-ZIFCJYIRSA-N 1 1 371.489 1.198 20 30 FDEDMO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)CC(C)(C)CC#N)C2 ZINC000920275551 886803465 /nfs/dbraw/zinc/80/34/65/886803465.db2.gz SRHNLOBANIKPDH-KCYZZUKISA-N 1 1 357.520 1.325 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C(F)F)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001129248926 886822818 /nfs/dbraw/zinc/82/28/18/886822818.db2.gz RXGKZVOCQMHEKU-KGLIPLIRSA-N 1 1 365.388 1.560 20 30 FDEDMO C=C(C)CCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001060743692 886839479 /nfs/dbraw/zinc/83/94/79/886839479.db2.gz STSKMILYAOSLKD-BRSBDYLESA-N 1 1 365.518 1.853 20 30 FDEDMO C=C(C)CCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001060743692 886839492 /nfs/dbraw/zinc/83/94/92/886839492.db2.gz STSKMILYAOSLKD-BRSBDYLESA-N 1 1 365.518 1.853 20 30 FDEDMO C=CCOC[C@@H]1NC(=O)N(c2ccc(CC[NH+]3CCOCC3)cc2)C1=O ZINC000804203294 886917020 /nfs/dbraw/zinc/91/70/20/886917020.db2.gz PGUVXCWNZGNKRX-KRWDZBQOSA-N 1 1 359.426 1.189 20 30 FDEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)c2ocnc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001129262051 886956405 /nfs/dbraw/zinc/95/64/05/886956405.db2.gz LNMCQNHBQFXCEY-CABCVRRESA-N 1 1 356.430 1.765 20 30 FDEDMO Cc1nc(N(C)C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ccc1C#N ZINC001062185921 886967739 /nfs/dbraw/zinc/96/77/39/886967739.db2.gz ANHDBNXQOIVADE-JFIYKMOQSA-N 1 1 355.486 1.887 20 30 FDEDMO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)CSCC#N)CC[N@H+]1C ZINC001062241353 887002005 /nfs/dbraw/zinc/00/20/05/887002005.db2.gz LSJJPTWKOLOKJE-RBSFLKMASA-N 1 1 352.504 1.081 20 30 FDEDMO C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000920613162 887091340 /nfs/dbraw/zinc/09/13/40/887091340.db2.gz HMSAQFCGYGDDFY-CQSZACIVSA-N 1 1 374.441 1.550 20 30 FDEDMO Cc1nc(C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1C#N ZINC000195458386 887348214 /nfs/dbraw/zinc/34/82/14/887348214.db2.gz KMYURSQCZSYTCN-IYBDPMFKSA-N 1 1 355.486 1.892 20 30 FDEDMO C[N@H+]1CCN(CCNc2nccc(C#N)c2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000370531212 887641603 /nfs/dbraw/zinc/64/16/03/887641603.db2.gz MTDVLZWXXMKUTR-KRWDZBQOSA-N 1 1 366.425 2.262 20 30 FDEDMO C[N@@H+]1CC[C@H](NC(=O)Nc2ccn(CCC#N)n2)[C@H]1c1ccc(F)cc1 ZINC000373754070 887657293 /nfs/dbraw/zinc/65/72/93/887657293.db2.gz NIZOZFBTOVAABS-DOTOQJQBSA-N 1 1 356.405 2.503 20 30 FDEDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccn(CCC#N)n2)[C@H]1c1ccc(F)cc1 ZINC000373754070 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C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ncccc3C)C[C@H]2C)nn1 ZINC001080584645 905745921 /nfs/dbraw/zinc/74/59/21/905745921.db2.gz IJTWPSZYKKZRGB-NVXWUHKLSA-N 1 1 354.458 1.808 20 30 FDEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cncc(Cl)c3)C2)C1=O ZINC001080617116 905804419 /nfs/dbraw/zinc/80/44/19/905804419.db2.gz AUEPJSDOOUBYNK-DAXOMENPSA-N 1 1 362.861 1.572 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cncc(Cl)c3)C2)C1=O ZINC001080617116 905804431 /nfs/dbraw/zinc/80/44/31/905804431.db2.gz AUEPJSDOOUBYNK-DAXOMENPSA-N 1 1 362.861 1.572 20 30 FDEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3c[nH]nc3C3CC3)CCC[C@@H]12 ZINC001107594564 905879909 /nfs/dbraw/zinc/87/99/09/905879909.db2.gz OKGBYYBIVBHNBT-OXQOHEQNSA-N 1 1 371.485 1.564 20 30 FDEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cccn3)CCC[C@@H]12 ZINC001107601410 905914626 /nfs/dbraw/zinc/91/46/26/905914626.db2.gz PPNRXWTWOGKBSE-QWFCFKBJSA-N 1 1 358.486 1.845 20 30 FDEDMO CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001082134083 905936624 /nfs/dbraw/zinc/93/66/24/905936624.db2.gz ZJHQJQHAFKTIEV-ATZDWAIDSA-N 1 1 356.470 1.358 20 30 FDEDMO C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NC(C)C)CC3)cn1 ZINC001107610409 905969407 /nfs/dbraw/zinc/96/94/07/905969407.db2.gz YPDYNMVARMELMU-WIYYLYMNSA-N 1 1 368.481 1.562 20 30 FDEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]cc3C3CC3)C2)C1=O ZINC001080692754 905985564 /nfs/dbraw/zinc/98/55/64/905985564.db2.gz COOSBHIULOZULX-FSPWUOQZSA-N 1 1 356.470 1.729 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]cc3C3CC3)C2)C1=O ZINC001080692754 905985566 /nfs/dbraw/zinc/98/55/66/905985566.db2.gz COOSBHIULOZULX-FSPWUOQZSA-N 1 1 356.470 1.729 20 30 FDEDMO COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3nonc3C)C2)cc1C#N ZINC001080697828 905995735 /nfs/dbraw/zinc/99/57/35/905995735.db2.gz WMACHZMVPDRVCN-SJKOYZFVSA-N 1 1 369.425 1.438 20 30 FDEDMO COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3nonc3C)C2)cc1C#N ZINC001080697828 905995740 /nfs/dbraw/zinc/99/57/40/905995740.db2.gz WMACHZMVPDRVCN-SJKOYZFVSA-N 1 1 369.425 1.438 20 30 FDEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cc(Cl)no3)CCC[C@@H]12 ZINC001107617278 906014476 /nfs/dbraw/zinc/01/44/76/906014476.db2.gz BUWMCWOJKBJACW-CXAGYDPISA-N 1 1 366.849 1.605 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnoc3C(C)C)C2)C1=O ZINC001080708564 906021056 /nfs/dbraw/zinc/02/10/56/906021056.db2.gz KHVBQQWRNFBPOM-FVQBIDKESA-N 1 1 360.458 1.635 20 30 FDEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnoc3C(C)C)C2)C1=O ZINC001080708564 906021064 /nfs/dbraw/zinc/02/10/64/906021064.db2.gz KHVBQQWRNFBPOM-FVQBIDKESA-N 1 1 360.458 1.635 20 30 FDEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)Cc3c(C)nc(C)[nH]c3=O)CCC[C@@H]12 ZINC001107631433 906076400 /nfs/dbraw/zinc/07/64/00/906076400.db2.gz LJIRRGMEQFBNDM-YLJYHZDGSA-N 1 1 356.470 1.726 20 30 FDEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3ccccc3F)CCC[C@@H]12 ZINC001107631744 906078854 /nfs/dbraw/zinc/07/88/54/906078854.db2.gz CCVOJEATPQNGKT-WIYYLYMNSA-N 1 1 371.456 1.940 20 30 FDEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N3CCOCC3)CCC[C@@H]12 ZINC001107639937 906192062 /nfs/dbraw/zinc/19/20/62/906192062.db2.gz GIZRPSBJXXVUEK-SFHLNBCPSA-N 1 1 359.514 1.481 20 30 FDEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C)C[C@H]2O)c1 ZINC001077647649 906201431 /nfs/dbraw/zinc/20/14/31/906201431.db2.gz FHUHFSULTGNUCJ-RTBURBONSA-N 1 1 353.397 1.486 20 30 FDEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C)C[C@H]2O)c1 ZINC001077647649 906201447 /nfs/dbraw/zinc/20/14/47/906201447.db2.gz FHUHFSULTGNUCJ-RTBURBONSA-N 1 1 353.397 1.486 20 30 FDEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3ccccn3)CCC[C@@H]12 ZINC001107640789 906201551 /nfs/dbraw/zinc/20/15/51/906201551.db2.gz KASCXWWILNGYSX-YLJYHZDGSA-N 1 1 356.470 1.748 20 30 FDEDMO C=CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N(CC)CC)CC2 ZINC001107650558 906225347 /nfs/dbraw/zinc/22/53/47/906225347.db2.gz FMRXOGSHHWTNCA-MBOZVWFJSA-N 1 1 365.518 1.807 20 30 FDEDMO C=CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCCC)CC2 ZINC001107651178 906229387 /nfs/dbraw/zinc/22/93/87/906229387.db2.gz SNKAXKVZIIFSKQ-FRQCXROJSA-N 1 1 351.491 1.465 20 30 FDEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@H]2O)c1 ZINC001077650180 906239656 /nfs/dbraw/zinc/23/96/56/906239656.db2.gz WUSQWIRYAXEDFW-RTBURBONSA-N 1 1 369.396 1.056 20 30 FDEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCOc3cccc(F)c3)C[C@H]2O)c1 ZINC001077650180 906239674 /nfs/dbraw/zinc/23/96/74/906239674.db2.gz WUSQWIRYAXEDFW-RTBURBONSA-N 1 1 369.396 1.056 20 30 FDEDMO C[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080779464 906244789 /nfs/dbraw/zinc/24/47/89/906244789.db2.gz OUJJXBJOXDDLGV-SPYBWZPUSA-N 1 1 358.461 1.976 20 30 FDEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)COC[C@H]3CCCO3)CCC[C@@H]12 ZINC001107654555 906252390 /nfs/dbraw/zinc/25/23/90/906252390.db2.gz CFLBFDFBQYRQSV-QWFCFKBJSA-N 1 1 364.486 1.193 20 30 FDEDMO C=CCCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N(C)C1CC1)CC2 ZINC001107649355 906284260 /nfs/dbraw/zinc/28/42/60/906284260.db2.gz UKFLNRDOYGUKBL-YLJYHZDGSA-N 1 1 363.502 1.561 20 30 FDEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1C ZINC001080805424 906287880 /nfs/dbraw/zinc/28/78/80/906287880.db2.gz RKDKNLYQGVIVLP-RHSMWYFYSA-N 1 1 353.426 1.077 20 30 FDEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1C ZINC001080805424 906287900 /nfs/dbraw/zinc/28/79/00/906287900.db2.gz RKDKNLYQGVIVLP-RHSMWYFYSA-N 1 1 353.426 1.077 20 30 FDEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCc4ccccc43)C[C@H]2OC)nn1 ZINC001082212636 906295249 /nfs/dbraw/zinc/29/52/49/906295249.db2.gz AWBFBQHADRJVBO-NZSAHSFTSA-N 1 1 367.453 1.581 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cc(OC)ccn3)C[C@H]2C)nc1 ZINC001080808343 906299033 /nfs/dbraw/zinc/29/90/33/906299033.db2.gz VDNAZGZONZYRTC-AUUYWEPGSA-N 1 1 350.422 1.717 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(OC)ccn3)C[C@H]2C)nc1 ZINC001080808343 906299054 /nfs/dbraw/zinc/29/90/54/906299054.db2.gz VDNAZGZONZYRTC-AUUYWEPGSA-N 1 1 350.422 1.717 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1OC ZINC001082217623 906317257 /nfs/dbraw/zinc/31/72/57/906317257.db2.gz DNMRGSORSBSWHZ-MANSERQUSA-N 1 1 366.502 1.600 20 30 FDEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]2OC)nn1 ZINC001082218791 906321252 /nfs/dbraw/zinc/32/12/52/906321252.db2.gz DHEOCFWUFXOVGY-IEBWSBKVSA-N 1 1 369.469 1.792 20 30 FDEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]2OC)nn1 ZINC001082218791 906321273 /nfs/dbraw/zinc/32/12/73/906321273.db2.gz DHEOCFWUFXOVGY-IEBWSBKVSA-N 1 1 369.469 1.792 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]2C)cn1 ZINC001080809509 906322371 /nfs/dbraw/zinc/32/23/71/906322371.db2.gz VROSRFFAOWIAJX-ZMYBRWDISA-N 1 1 366.465 1.266 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]2C)cn1 ZINC001080809509 906322379 /nfs/dbraw/zinc/32/23/79/906322379.db2.gz VROSRFFAOWIAJX-ZMYBRWDISA-N 1 1 366.465 1.266 20 30 FDEDMO COc1cc[nH]c(=O)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001080792204 906329031 /nfs/dbraw/zinc/32/90/31/906329031.db2.gz QBLBZTXLGLPWHP-CZUORRHYSA-N 1 1 366.421 1.918 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(OC)n3)C[C@H]2C)cn1 ZINC001080810489 906363331 /nfs/dbraw/zinc/36/33/31/906363331.db2.gz OSYNRTVIJIYCJB-RDTXWAMCSA-N 1 1 350.422 1.717 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(OC)n3)C[C@H]2C)cn1 ZINC001080810489 906363341 /nfs/dbraw/zinc/36/33/41/906363341.db2.gz OSYNRTVIJIYCJB-RDTXWAMCSA-N 1 1 350.422 1.717 20 30 FDEDMO C[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)C1 ZINC001098181177 906559146 /nfs/dbraw/zinc/55/91/46/906559146.db2.gz ZVILQILGGQVOIA-PIKADFDJSA-N 1 1 366.465 1.648 20 30 FDEDMO C[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2)C1 ZINC001098181177 906559167 /nfs/dbraw/zinc/55/91/67/906559167.db2.gz ZVILQILGGQVOIA-PIKADFDJSA-N 1 1 366.465 1.648 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001082301216 906671348 /nfs/dbraw/zinc/67/13/48/906671348.db2.gz IGGORBQGUHGTMZ-BBWFWOEESA-N 1 1 351.491 1.417 20 30 FDEDMO CCn1cnc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2OC)c1 ZINC001082328903 906780720 /nfs/dbraw/zinc/78/07/20/906780720.db2.gz RLBXEXYMHWXYQW-SJLPKXTDSA-N 1 1 353.426 1.404 20 30 FDEDMO CCn1cnc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2OC)c1 ZINC001082328903 906780736 /nfs/dbraw/zinc/78/07/36/906780736.db2.gz RLBXEXYMHWXYQW-SJLPKXTDSA-N 1 1 353.426 1.404 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]2OC)nc1 ZINC001082333737 906828755 /nfs/dbraw/zinc/82/87/55/906828755.db2.gz XBTJRLYBERKWCQ-DJIMGWMZSA-N 1 1 363.408 1.927 20 30 FDEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H](OC)C3CCCC3)C[C@H]2OC)cn1 ZINC001082333896 906830451 /nfs/dbraw/zinc/83/04/51/906830451.db2.gz GUHYQQUAOVMBIS-VAMGGRTRSA-N 1 1 371.481 1.697 20 30 FDEDMO C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)nc1 ZINC000997004130 906891507 /nfs/dbraw/zinc/89/15/07/906891507.db2.gz MIFBBOCIXBGODV-NFBPCRFFSA-N 1 1 366.465 1.265 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C(C)C)nc2C)C[C@H]1O ZINC001077694431 906895325 /nfs/dbraw/zinc/89/53/25/906895325.db2.gz ROPSQJGAGUJARL-AFYVEPGGSA-N 1 1 373.497 1.766 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(C)C)nc2C)C[C@H]1O ZINC001077694431 906895343 /nfs/dbraw/zinc/89/53/43/906895343.db2.gz ROPSQJGAGUJARL-AFYVEPGGSA-N 1 1 373.497 1.766 20 30 FDEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cccc(NC(=O)NC)c2)[C@H](OC)C1 ZINC001082326716 906908916 /nfs/dbraw/zinc/90/89/16/906908916.db2.gz OGQVKTOBZKYMLJ-IAGOWNOFSA-N 1 1 360.458 1.833 20 30 FDEDMO CO[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001082326759 906908997 /nfs/dbraw/zinc/90/89/97/906908997.db2.gz PPGUENZQXAIFBS-KBRIMQKVSA-N 1 1 362.499 1.277 20 30 FDEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C)nc3C)C2)C1=O ZINC001080988311 906955308 /nfs/dbraw/zinc/95/53/08/906955308.db2.gz MYKMRBXDHABTCE-XWIAVFTESA-N 1 1 356.470 1.535 20 30 FDEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C)nc3C)C2)C1=O ZINC001080988311 906955316 /nfs/dbraw/zinc/95/53/16/906955316.db2.gz MYKMRBXDHABTCE-XWIAVFTESA-N 1 1 356.470 1.535 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C ZINC000997030382 906962765 /nfs/dbraw/zinc/96/27/65/906962765.db2.gz YXQLLUVUUKCFCV-KSIDHJATSA-N 1 1 369.469 1.478 20 30 FDEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ccc(C(N)=O)cn1 ZINC001081032187 906991982 /nfs/dbraw/zinc/99/19/82/906991982.db2.gz JJNYLJHECSLWCC-BDJLRTHQSA-N 1 1 369.450 1.364 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ccc(C(N)=O)cn1 ZINC001081032187 906991987 /nfs/dbraw/zinc/99/19/87/906991987.db2.gz JJNYLJHECSLWCC-BDJLRTHQSA-N 1 1 369.450 1.364 20 30 FDEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cccc(C(N)=O)n1 ZINC001081016577 907029100 /nfs/dbraw/zinc/02/91/00/907029100.db2.gz RTBXJBOVFGZOMQ-FZKQIMNGSA-N 1 1 363.421 1.302 20 30 FDEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cccc4c3OCC4)C2)c1 ZINC001077714903 907110640 /nfs/dbraw/zinc/11/06/40/907110640.db2.gz LPGWWCKQJATFQR-RTBURBONSA-N 1 1 363.417 1.468 20 30 FDEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cccc4c3OCC4)C2)c1 ZINC001077714903 907110651 /nfs/dbraw/zinc/11/06/51/907110651.db2.gz LPGWWCKQJATFQR-RTBURBONSA-N 1 1 363.417 1.468 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000997081878 907233655 /nfs/dbraw/zinc/23/36/55/907233655.db2.gz AAMCRFVDZLYFQW-HOTGVXAUSA-N 1 1 350.488 1.990 20 30 FDEDMO CO[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371298 907235637 /nfs/dbraw/zinc/23/56/37/907235637.db2.gz BCFYEAIICBMLSD-QZTJIDSGSA-N 1 1 371.416 1.218 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](Cc2cnnn2C)CC1 ZINC000997086829 907265440 /nfs/dbraw/zinc/26/54/40/907265440.db2.gz XJJFLGFVKYYICL-OLMNPRSZSA-N 1 1 361.490 1.513 20 30 FDEDMO C=CCOc1ccc(CC(=O)N[C@@H]2C[N@H+](C[C@H](C)OC)C[C@H]2OC)cc1 ZINC001082387273 907419991 /nfs/dbraw/zinc/41/99/91/907419991.db2.gz VSVMOXYAYGYZHM-KFKAGJAMSA-N 1 1 362.470 1.644 20 30 FDEDMO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](Oc3cnccc3CNCC#N)C2)CC[N@H+]1C ZINC001127888186 907483577 /nfs/dbraw/zinc/48/35/77/907483577.db2.gz KURJHUYIERXIIV-OKZBNKHCSA-N 1 1 371.485 1.405 20 30 FDEDMO C#CCNCc1ccncc1O[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001127888200 907484081 /nfs/dbraw/zinc/48/40/81/907484081.db2.gz LNJOWKPTBGIIHX-BPQIPLTHSA-N 1 1 356.470 1.124 20 30 FDEDMO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3=COCCC3)[C@H](OC)C2)cc1C#N ZINC001081429215 907636490 /nfs/dbraw/zinc/63/64/90/907636490.db2.gz FVDCBNLAZGYYBR-IEBWSBKVSA-N 1 1 371.437 1.577 20 30 FDEDMO COc1ccc(C[N@H+]2C[C@@H](NC(=O)C3=COCCC3)[C@H](OC)C2)cc1C#N ZINC001081429215 907636497 /nfs/dbraw/zinc/63/64/97/907636497.db2.gz FVDCBNLAZGYYBR-IEBWSBKVSA-N 1 1 371.437 1.577 20 30 FDEDMO CO[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1ocnc1C ZINC001081493747 907690498 /nfs/dbraw/zinc/69/04/98/907690498.db2.gz VVBLAQYYLUDONP-IAGOWNOFSA-N 1 1 370.409 1.515 20 30 FDEDMO CO[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1ocnc1C ZINC001081493747 907690524 /nfs/dbraw/zinc/69/05/24/907690524.db2.gz VVBLAQYYLUDONP-IAGOWNOFSA-N 1 1 370.409 1.515 20 30 FDEDMO CCCn1c(C)nnc1C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC001082464317 907896750 /nfs/dbraw/zinc/89/67/50/907896750.db2.gz JZMYMFPCEUGBNT-MLGOLLRUSA-N 1 1 355.446 1.447 20 30 FDEDMO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC001082483778 907907634 /nfs/dbraw/zinc/90/76/34/907907634.db2.gz IQAKFCNNPOARJP-BXUZGUMPSA-N 1 1 355.446 1.552 20 30 FDEDMO C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NCc1ccccc1C#N ZINC001082515106 908182533 /nfs/dbraw/zinc/18/25/33/908182533.db2.gz AIHFBOKDHPZOAI-UIAACRFSSA-N 1 1 352.482 1.837 20 30 FDEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3CC)C[C@H]2O)nn1 ZINC001077802529 908347614 /nfs/dbraw/zinc/34/76/14/908347614.db2.gz MFDMEJMZNYUUBF-SJLPKXTDSA-N 1 1 355.442 1.002 20 30 FDEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ccccc3C)C[C@H]2O)nn1 ZINC001077802602 908348407 /nfs/dbraw/zinc/34/84/07/908348407.db2.gz PGMVZYGSOOKXFO-YXJHDRRASA-N 1 1 355.442 1.309 20 30 FDEDMO C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CN(CC#Cc3ccccc3)CCO2)CC[N@H+]1C ZINC001107954640 908490098 /nfs/dbraw/zinc/49/00/98/908490098.db2.gz UBGIODFAQDLTIS-UZKOGDIHSA-N 1 1 369.509 1.585 20 30 FDEDMO C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001082561438 908629016 /nfs/dbraw/zinc/62/90/16/908629016.db2.gz QVKGSZQPQKTCGR-HUUCEWRRSA-N 1 1 370.457 1.046 20 30 FDEDMO C[C@H]1C[C@@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C[N@H+]1C1CC1 ZINC000267908978 908734730 /nfs/dbraw/zinc/73/47/30/908734730.db2.gz LIIUKCRVTRMRKU-GOEBONIOSA-N 1 1 354.458 1.410 20 30 FDEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)[C@H](OC)C1 ZINC001212365892 909215567 /nfs/dbraw/zinc/21/55/67/909215567.db2.gz QSDYEXNBTKIBMH-BZUAXINKSA-N 1 1 365.474 1.086 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cnn(C(C)(C)C)c2C)[C@H](OC)C1 ZINC001212367988 909241206 /nfs/dbraw/zinc/24/12/06/909241206.db2.gz CGQACUFFAPLRRE-IAGOWNOFSA-N 1 1 364.490 1.578 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2cc(C)ccc2C)C[C@@H]1O ZINC001083789925 909463563 /nfs/dbraw/zinc/46/35/63/909463563.db2.gz FPARWGFQIXVYKD-YRXWBPOGSA-N 1 1 374.481 1.435 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2cc(C)ccc2C)C[C@@H]1O ZINC001083789925 909463574 /nfs/dbraw/zinc/46/35/74/909463574.db2.gz FPARWGFQIXVYKD-YRXWBPOGSA-N 1 1 374.481 1.435 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(F)cc1 ZINC000997769049 909660591 /nfs/dbraw/zinc/66/05/91/909660591.db2.gz GSSBNSPZBLFWBV-XWSJACJDSA-N 1 1 369.440 1.785 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(F)cc1 ZINC000997769049 909660599 /nfs/dbraw/zinc/66/05/99/909660599.db2.gz GSSBNSPZBLFWBV-XWSJACJDSA-N 1 1 369.440 1.785 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1cncs1 ZINC000997770448 909667217 /nfs/dbraw/zinc/66/72/17/909667217.db2.gz XYQJSZHSQMEMQC-IWCQGFGOSA-N 1 1 372.494 1.031 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1cncs1 ZINC000997770448 909667232 /nfs/dbraw/zinc/66/72/32/909667232.db2.gz XYQJSZHSQMEMQC-IWCQGFGOSA-N 1 1 372.494 1.031 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cscn1 ZINC000997770546 909667578 /nfs/dbraw/zinc/66/75/78/909667578.db2.gz ZMNBJUQNVJYBEJ-VRKREXBASA-N 1 1 358.467 1.102 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cscn1 ZINC000997770546 909667589 /nfs/dbraw/zinc/66/75/89/909667589.db2.gz ZMNBJUQNVJYBEJ-VRKREXBASA-N 1 1 358.467 1.102 20 30 FDEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(C)CCCC1 ZINC000997775240 909669199 /nfs/dbraw/zinc/66/91/99/909669199.db2.gz VQODEAYJZRRKPI-OWSLCNJRSA-N 1 1 357.498 1.912 20 30 FDEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(C)CCCC1 ZINC000997775240 909669204 /nfs/dbraw/zinc/66/92/04/909669204.db2.gz VQODEAYJZRRKPI-OWSLCNJRSA-N 1 1 357.498 1.912 20 30 FDEDMO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)c3nnc(CC)[nH]3)C2)c1 ZINC001082730437 909866209 /nfs/dbraw/zinc/86/62/09/909866209.db2.gz UTZRDRAYPZABCO-XJKCOSOUSA-N 1 1 352.442 1.555 20 30 FDEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C)n2C2CC2)C1 ZINC001082751860 909998364 /nfs/dbraw/zinc/99/83/64/909998364.db2.gz COERRCZKSULNFD-YYQUZTFQSA-N 1 1 359.474 1.449 20 30 FDEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001082795194 910180344 /nfs/dbraw/zinc/18/03/44/910180344.db2.gz JIWXTGFVBNSCOT-VUNQQRPYSA-N 1 1 373.501 1.990 20 30 FDEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)n2nnnc2C(C)(C)C)[C@H](OC)C1 ZINC001212387006 910181900 /nfs/dbraw/zinc/18/19/00/910181900.db2.gz NENJDJRZKDWDFK-RBSFLKMASA-N 1 1 364.494 1.313 20 30 FDEDMO C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C)oc3C)C2)nn1 ZINC001082796565 910184622 /nfs/dbraw/zinc/18/46/22/910184622.db2.gz AOMCZOIYWCOSFC-MLGOLLRUSA-N 1 1 358.446 1.709 20 30 FDEDMO C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2nnc(C)o2)C1 ZINC001082869152 910511043 /nfs/dbraw/zinc/51/10/43/910511043.db2.gz TULGTHYIWBIZSS-XJKCOSOUSA-N 1 1 369.425 1.596 20 30 FDEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncnn3CCC)C2)cn1 ZINC001082870253 910517424 /nfs/dbraw/zinc/51/74/24/910517424.db2.gz KCFCHFYNRYZWNA-RHSMWYFYSA-N 1 1 352.442 1.315 20 30 FDEDMO 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ZINC001082936907 911019653 /nfs/dbraw/zinc/01/96/53/911019653.db2.gz CXIOALNFYSGSMD-FHLIZLRMSA-N 1 1 366.469 1.914 20 30 FDEDMO C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2c[nH+]cc2C)C3)nc1 ZINC000998467370 911069890 /nfs/dbraw/zinc/06/98/90/911069890.db2.gz UQSFBOBLMCKKLK-NJAFHUGGSA-N 1 1 363.421 1.130 20 30 FDEDMO COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000273150725 911135330 /nfs/dbraw/zinc/13/53/30/911135330.db2.gz HQTOYOVXZVAQEE-HNNXBMFYSA-N 1 1 362.430 1.426 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2)C[C@H]1O ZINC001077821951 911155046 /nfs/dbraw/zinc/15/50/46/911155046.db2.gz PWMVULKFEDMERF-NMLBUPMWSA-N 1 1 358.482 1.946 20 30 FDEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)C4CCCCC4)[C@H]3C2)C1=O ZINC001082984963 911323697 /nfs/dbraw/zinc/32/36/97/911323697.db2.gz DLPOGKLZBATURL-FGTMMUONSA-N 1 1 361.486 1.265 20 30 FDEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)c4ccccc4C)[C@H]3C2)C1=O ZINC001082985632 911325668 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FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2occc2C(C)C)[nH]1 ZINC001130230128 938763602 /nfs/dbraw/zinc/76/36/02/938763602.db2.gz NHUPAWXRHAPJHN-GJZGRUSLSA-N 1 1 371.441 1.546 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2occc2C(C)C)n[nH]1 ZINC001130230128 938763604 /nfs/dbraw/zinc/76/36/04/938763604.db2.gz NHUPAWXRHAPJHN-GJZGRUSLSA-N 1 1 371.441 1.546 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](CC(C)C)OC)n1 ZINC001130232454 938764952 /nfs/dbraw/zinc/76/49/52/938764952.db2.gz IDLGNXHMIUYRRZ-KKUMJFAQSA-N 1 1 365.478 1.130 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](CC(C)C)OC)n[nH]1 ZINC001130232454 938764954 /nfs/dbraw/zinc/76/49/54/938764954.db2.gz IDLGNXHMIUYRRZ-KKUMJFAQSA-N 1 1 365.478 1.130 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2CC(C)C)n1 ZINC001130237821 938767223 /nfs/dbraw/zinc/76/72/23/938767223.db2.gz FZJFSLQIAFCHKW-TWMKSMIVSA-N 1 1 373.501 1.589 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]2CC(C)C)n[nH]1 ZINC001130237821 938767224 /nfs/dbraw/zinc/76/72/24/938767224.db2.gz FZJFSLQIAFCHKW-TWMKSMIVSA-N 1 1 373.501 1.589 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC(C)(C)C2)n1 ZINC001130240656 938768870 /nfs/dbraw/zinc/76/88/70/938768870.db2.gz XZUVUNNNRDYQFL-KKUMJFAQSA-N 1 1 361.490 1.895 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CCC(C)(C)C2)n[nH]1 ZINC001130240656 938768871 /nfs/dbraw/zinc/76/88/71/938768871.db2.gz XZUVUNNNRDYQFL-KKUMJFAQSA-N 1 1 361.490 1.895 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)c2ccc(C)o2)[nH]1 ZINC001130242459 938769857 /nfs/dbraw/zinc/76/98/57/938769857.db2.gz YEFQRVYEHQTYAF-DZKIICNBSA-N 1 1 371.441 1.221 20 30 FDEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCCCSCC#N)CC1=O ZINC000805542185 938770358 /nfs/dbraw/zinc/77/03/58/938770358.db2.gz IOWGRKTVNHWTLM-HUUCEWRRSA-N 1 1 353.488 1.509 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ccc(C)nc2)n1 ZINC001130249255 938773591 /nfs/dbraw/zinc/77/35/91/938773591.db2.gz SWGXHGPIIWUPFR-HOTGVXAUSA-N 1 1 370.457 1.015 20 30 FDEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2ccc(C)nc2)n[nH]1 ZINC001130249255 938773592 /nfs/dbraw/zinc/77/35/92/938773592.db2.gz SWGXHGPIIWUPFR-HOTGVXAUSA-N 1 1 370.457 1.015 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(C)c2C)[nH]1 ZINC001130249158 938773747 /nfs/dbraw/zinc/77/37/47/938773747.db2.gz MTEFADDLKMKZFR-IRXDYDNUSA-N 1 1 367.453 1.447 20 30 FDEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccc(C)c2C)n[nH]1 ZINC001130249158 938773749 /nfs/dbraw/zinc/77/37/49/938773749.db2.gz MTEFADDLKMKZFR-IRXDYDNUSA-N 1 1 367.453 1.447 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1cn(C)cn1 ZINC001130502342 938885187 /nfs/dbraw/zinc/88/51/87/938885187.db2.gz IMAOLWXEEFEUAV-GXTWGEPZSA-N 1 1 353.879 1.313 20 30 FDEDMO CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nccs2)C1 ZINC001130583559 939883496 /nfs/dbraw/zinc/88/34/96/939883496.db2.gz GDMMMIPYVOLWSQ-GOEBONIOSA-N 1 1 357.483 1.620 20 30 FDEDMO Cc1nnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cn(C)cn2)[nH]1 ZINC001130590177 939896095 /nfs/dbraw/zinc/89/60/95/939896095.db2.gz CVOAJIBVPSTRJR-UKPHBRMFSA-N 1 1 369.473 1.151 20 30 FDEDMO C#CCC1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]Cc3ccon3)C2)CCC1 ZINC001130610637 939908040 /nfs/dbraw/zinc/90/80/40/939908040.db2.gz OSNUTGNGJNVVPE-FUHWJXTLSA-N 1 1 367.453 1.686 20 30 FDEDMO C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3n[nH]cc32)C[C@H]1c1cn(C)cn1 ZINC001130637916 939940189 /nfs/dbraw/zinc/94/01/89/939940189.db2.gz RTANWLCZHZZWOQ-QFBILLFUSA-N 1 1 362.437 1.518 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)F)[nH]n2)C[C@H]1c1cn(C)cn1 ZINC001130672078 939971100 /nfs/dbraw/zinc/97/11/00/939971100.db2.gz FVNXPKBLSMUTJO-XHDPSFHLSA-N 1 1 364.400 1.855 20 30 FDEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](C)OCCOC)C[C@H]1c1cn(C)cn1 ZINC001130685103 939974410 /nfs/dbraw/zinc/97/44/10/939974410.db2.gz DLNOGULYNYZBBX-OFQRWUPVSA-N 1 1 370.881 1.108 20 30 FDEDMO CC#CCN[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130704376 939985018 /nfs/dbraw/zinc/98/50/18/939985018.db2.gz MPGRDIDPCDYFEA-AZUAARDMSA-N 1 1 371.529 1.448 20 30 FDEDMO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]cnc3C2)C[C@H]1c1cn(C)cn1 ZINC001130708333 940014035 /nfs/dbraw/zinc/01/40/35/940014035.db2.gz JSEOPUDQVDYSDE-YZVOILCLSA-N 1 1 368.485 1.408 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C=Cc3ccco3)n[nH]2)O1 ZINC001130746579 940051805 /nfs/dbraw/zinc/05/18/05/940051805.db2.gz GECYWWZODMGZEW-LTSYXSSYSA-N 1 1 369.425 1.560 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccccn3)n[nH]2)O1 ZINC001130749666 940056403 /nfs/dbraw/zinc/05/64/03/940056403.db2.gz LNXDFNKYYRCVOV-DZGCQCFKSA-N 1 1 356.430 1.516 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ncccc3C)n[nH]2)O1 ZINC001130774718 940091300 /nfs/dbraw/zinc/09/13/00/940091300.db2.gz AFBYTGGNXBBXJW-LSDHHAIUSA-N 1 1 370.457 1.824 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)OCC3CC3)n[nH]2)O1 ZINC001130765331 940095538 /nfs/dbraw/zinc/09/55/38/940095538.db2.gz NURHBMVKYYHQNX-VHDGCEQUSA-N 1 1 363.462 1.232 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](CC)OCC)n[nH]2)O1 ZINC001130765517 940096883 /nfs/dbraw/zinc/09/68/83/940096883.db2.gz WGGFVEPSLCKNRA-RRFJBIMHSA-N 1 1 363.462 1.069 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(F)nc3)n[nH]2)O1 ZINC001130767227 940100814 /nfs/dbraw/zinc/10/08/14/940100814.db2.gz DVIVVUBXKRMWQW-QWHCGFSZSA-N 1 1 360.393 1.265 20 30 FDEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)COC)n[nH]2)O1 ZINC001130769389 940106610 /nfs/dbraw/zinc/10/66/10/940106610.db2.gz HLZQUIBIFIYXHR-HZSPNIEDSA-N 1 1 351.451 1.089 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cscc3C)n[nH]2)O1 ZINC001130769824 940107588 /nfs/dbraw/zinc/10/75/88/940107588.db2.gz PUXIVGHRTLSSGK-GXTWGEPZSA-N 1 1 359.455 1.548 20 30 FDEDMO CC(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C#N)c[nH]3)n[nH]2)O1 ZINC001130770269 940109138 /nfs/dbraw/zinc/10/91/38/940109138.db2.gz ZGLRGWRVPJWTOA-DZGCQCFKSA-N 1 1 371.445 1.400 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3ccncc3C)n[nH]2)O1 ZINC001130785006 940118889 /nfs/dbraw/zinc/11/88/89/940118889.db2.gz AIFIFAJTAXOLFY-JKSUJKDBSA-N 1 1 370.457 1.363 20 30 FDEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(C(F)F)CC3)n[nH]2)O1 ZINC001130785406 940120165 /nfs/dbraw/zinc/12/01/65/940120165.db2.gz KVJVWGAMNWXNOT-NWDGAFQWSA-N 1 1 367.400 1.299 20 30 FDEDMO C=C[C@@](C)(CCOC)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC)O2)n1 ZINC001130794496 940146421 /nfs/dbraw/zinc/14/64/21/940146421.db2.gz WFBBGGULUIDSOG-IYOUNJFTSA-N 1 1 365.478 1.479 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](CCC)OCC)n[nH]2)O1 ZINC001130796088 940149884 /nfs/dbraw/zinc/14/98/84/940149884.db2.gz HTRAETCPVAFFDP-ZNMIVQPWSA-N 1 1 365.478 1.622 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccn3CC=C)n[nH]2)O1 ZINC001130790124 940162428 /nfs/dbraw/zinc/16/24/28/940162428.db2.gz IVNUBDQMKLYUGE-GOEBONIOSA-N 1 1 368.441 1.165 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c(C)cncc3C)n[nH]2)O1 ZINC001130792380 940169988 /nfs/dbraw/zinc/16/99/88/940169988.db2.gz AUGCMJTZVFAMMH-LSDHHAIUSA-N 1 1 368.441 1.189 20 30 FDEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccsn3)n[nH]2)O1 ZINC001130792571 940171614 /nfs/dbraw/zinc/17/16/14/940171614.db2.gz KUHFSYMXDAIUNM-WCQYABFASA-N 1 1 362.459 1.577 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccccc3CC)n[nH]2)O1 ZINC001130804754 940176361 /nfs/dbraw/zinc/17/63/61/940176361.db2.gz NUTRCVHOLYKDSL-DOTOQJQBSA-N 1 1 367.453 1.740 20 30 FDEDMO C#Cc1cncc(C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCC)O3)n2)c1 ZINC001130805189 940177677 /nfs/dbraw/zinc/17/76/77/940177677.db2.gz XHJWSYQCGLIZMF-JKSUJKDBSA-N 1 1 368.441 1.331 20 30 FDEDMO C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccnnc3)n[nH]2)O1 ZINC001130809122 940185568 /nfs/dbraw/zinc/18/55/68/940185568.db2.gz IBWBIIIBCNIQRH-LSDHHAIUSA-N 1 1 371.445 1.301 20 30 FDEDMO C=C1CC(C)(C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCOC)O3)n2)C1 ZINC001130809160 940186589 /nfs/dbraw/zinc/18/65/89/940186589.db2.gz KDVZTTGKAKRTIU-UONOGXRCSA-N 1 1 363.462 1.233 20 30 FDEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccn(C)c3C)n[nH]2)O1 ZINC001130802296 940196587 /nfs/dbraw/zinc/19/65/87/940196587.db2.gz MTLGQTOFIOYUQA-DZGCQCFKSA-N 1 1 358.446 1.377 20 30 FDEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)CC(C)(C)C)n[nH]2)O1 ZINC001130813838 940213266 /nfs/dbraw/zinc/21/32/66/940213266.db2.gz ZIXKVHKIUDZVDK-SOUVJXGZSA-N 1 1 361.490 1.936 20 30 FDEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3nccs3)n[nH]2)O1 ZINC001130813851 940213365 /nfs/dbraw/zinc/21/33/65/940213365.db2.gz ZUXAHONCWDJSFV-NWDGAFQWSA-N 1 1 360.443 1.024 20 30 FDEDMO C=CCCOCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC(=C)C)O2)n1 ZINC001130820410 940227908 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/nfs/dbraw/zinc/47/12/82/968471282.db2.gz YYPJOMGFCQMPFB-RPCOJDIESA-N 1 1 363.502 1.317 20 30 FDEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001191402061 968471290 /nfs/dbraw/zinc/47/12/90/968471290.db2.gz YYPJOMGFCQMPFB-RPCOJDIESA-N 1 1 363.502 1.317 20 30 FDEDMO C#CCCN(CCOC)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000853974837 968487553 /nfs/dbraw/zinc/48/75/53/968487553.db2.gz QTUINWCVJGYYHU-IBGZPJMESA-N 1 1 359.470 1.435 20 30 FDEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3nccnc3c1)C2 ZINC001110675284 968512555 /nfs/dbraw/zinc/51/25/55/968512555.db2.gz OEAIEMJCGRCMOA-INMHGKMJSA-N 1 1 351.410 1.010 20 30 FDEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3nccnc3c1)C2 ZINC001110675284 968512562 /nfs/dbraw/zinc/51/25/62/968512562.db2.gz OEAIEMJCGRCMOA-INMHGKMJSA-N 1 1 351.410 1.010 20 30 FDEDMO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1O ZINC001191614979 968621454 /nfs/dbraw/zinc/62/14/54/968621454.db2.gz SKFQYYIIILADCI-BHIYHBOVSA-N 1 1 368.518 1.726 20 30 FDEDMO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2C)C[C@H]1O ZINC001191622276 968627089 /nfs/dbraw/zinc/62/70/89/968627089.db2.gz GZAXETZZYATLQQ-KZNAEPCWSA-N 1 1 362.470 1.516 20 30 FDEDMO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2C)C[C@H]1O ZINC001191622276 968627093 /nfs/dbraw/zinc/62/70/93/968627093.db2.gz GZAXETZZYATLQQ-KZNAEPCWSA-N 1 1 362.470 1.516 20 30 FDEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2cccs2)C1 ZINC001111565314 968632326 /nfs/dbraw/zinc/63/23/26/968632326.db2.gz XPSRQJQSFMZQOF-VCBZYWHSSA-N 1 1 359.495 1.399 20 30 FDEDMO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3Cl)C[C@H]1O ZINC001191771377 968739641 /nfs/dbraw/zinc/73/96/41/968739641.db2.gz MGWXDASIJAFHPD-IXDOHACOSA-N 1 1 350.846 1.691 20 30 FDEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3c2cccc3Cl)C[C@H]1O ZINC001191771377 968739645 /nfs/dbraw/zinc/73/96/45/968739645.db2.gz MGWXDASIJAFHPD-IXDOHACOSA-N 1 1 350.846 1.691 20 30 FDEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+](C/C=C/c2ccc(Cl)cc2)C[C@H]1O ZINC001191772365 968740105 /nfs/dbraw/zinc/74/01/05/968740105.db2.gz ZIQGUDVOTJMBAJ-MULDZMIYSA-N 1 1 350.846 1.717 20 30 FDEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](C/C=C/c2ccc(Cl)cc2)C[C@H]1O ZINC001191772365 968740117 /nfs/dbraw/zinc/74/01/17/968740117.db2.gz ZIQGUDVOTJMBAJ-MULDZMIYSA-N 1 1 350.846 1.717 20 30 FDEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC(F)(F)F)C2)cc1 ZINC001192028633 968914970 /nfs/dbraw/zinc/91/49/70/968914970.db2.gz KKCVXBFAHVQDET-HUUCEWRRSA-N 1 1 371.359 1.593 20 30 FDEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC(F)(F)F)C2)cc1 ZINC001192028633 968914975 /nfs/dbraw/zinc/91/49/75/968914975.db2.gz KKCVXBFAHVQDET-HUUCEWRRSA-N 1 1 371.359 1.593 20 30 FDEDMO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001192078504 968923238 /nfs/dbraw/zinc/92/32/38/968923238.db2.gz JJVRKZKHHKQGKJ-QZTJIDSGSA-N 1 1 366.433 1.349 20 30 FDEDMO C=CCOCCCC(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001192078504 968923244 /nfs/dbraw/zinc/92/32/44/968923244.db2.gz JJVRKZKHHKQGKJ-QZTJIDSGSA-N 1 1 366.433 1.349 20 30 FDEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001192333179 969069123 /nfs/dbraw/zinc/06/91/23/969069123.db2.gz RJGFHAXIOOIZPZ-KURKYZTESA-N 1 1 363.502 1.655 20 30 FDEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](CCO)[C@@H](C)c2ccccc2)CC1 ZINC001192391571 969107395 /nfs/dbraw/zinc/10/73/95/969107395.db2.gz SGGKCTZEMMLGAO-ICSRJNTNSA-N 1 1 372.513 1.734 20 30 FDEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](CCO)[C@@H](C)c2ccccc2)CC1 ZINC001192391571 969107401 /nfs/dbraw/zinc/10/74/01/969107401.db2.gz SGGKCTZEMMLGAO-ICSRJNTNSA-N 1 1 372.513 1.734 20 30 FDEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)C[C@H]1O ZINC001192530696 969175677 /nfs/dbraw/zinc/17/56/77/969175677.db2.gz PWDUAIJPODQOIM-IIDMSEBBSA-N 1 1 354.397 1.613 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCN2CCCC2=O)C1 ZINC001192794581 969301905 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352.381 1.325 20 30 FDEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)F)c2)C[C@H]1O ZINC001192886723 969349269 /nfs/dbraw/zinc/34/92/69/969349269.db2.gz XQISUWIKGAGNKC-HZPDHXFCSA-N 1 1 352.381 1.325 20 30 FDEDMO C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O ZINC001192925190 969383719 /nfs/dbraw/zinc/38/37/19/969383719.db2.gz XECHMGQSYYMHJL-RTBURBONSA-N 1 1 368.518 1.727 20 30 FDEDMO C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC001193075662 969451295 /nfs/dbraw/zinc/45/12/95/969451295.db2.gz JFHKIAUDFFRRPH-UAFMIMERSA-N 1 1 358.482 1.934 20 30 FDEDMO COC(=O)c1cn([C@@H]2CCC[N@@H+](C[C@H](O)c3cccc(C#N)c3)C2)nn1 ZINC001193055539 969460453 /nfs/dbraw/zinc/46/04/53/969460453.db2.gz XNJMRXMBVXTGOX-WBVHZDCISA-N 1 1 355.398 1.307 20 30 FDEDMO C[C@H](C#N)S(=O)(=O)N1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001193118090 969482507 /nfs/dbraw/zinc/48/25/07/969482507.db2.gz LHQRHGLOJLVCNI-CABCVRRESA-N 1 1 367.471 1.577 20 30 FDEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)C[C@H]1O ZINC001193337204 969642067 /nfs/dbraw/zinc/64/20/67/969642067.db2.gz LDITZHJAYKJLKF-GUDVDZBRSA-N 1 1 360.498 1.744 20 30 FDEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nc3c2cccc3OC)C1 ZINC001193353851 969650060 /nfs/dbraw/zinc/65/00/60/969650060.db2.gz MILZAZWYNCCRKQ-NWANDNLSSA-N 1 1 358.442 1.701 20 30 FDEDMO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1O ZINC001193312980 969654075 /nfs/dbraw/zinc/65/40/75/969654075.db2.gz UQMQHRFVCYERJG-GVDBMIGSSA-N 1 1 366.889 1.530 20 30 FDEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cc2NC(C)=O)C1 ZINC001193535258 969721799 /nfs/dbraw/zinc/72/17/99/969721799.db2.gz GJXMHPBSYUXDKI-NXOUGTEYSA-N 1 1 363.433 1.914 20 30 FDEDMO C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nn(C(C)(C)C)c2C)C1 ZINC001193519763 969733397 /nfs/dbraw/zinc/73/33/97/969733397.db2.gz AWDZJISUJQORRF-HZPDHXFCSA-N 1 1 364.490 1.232 20 30 FDEDMO C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nn(C(C)(C)C)c2C)C1 ZINC001193519763 969733401 /nfs/dbraw/zinc/73/34/01/969733401.db2.gz AWDZJISUJQORRF-HZPDHXFCSA-N 1 1 364.490 1.232 20 30 FDEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCCCCC2=O)C1 ZINC001193519786 969733708 /nfs/dbraw/zinc/73/37/08/969733708.db2.gz BVEONZSZBWQQFC-GVDBMIGSSA-N 1 1 351.491 1.295 20 30 FDEDMO CC(C)[NH+]1CC(NC(=O)c2cc(I)ccc2C#N)C1 ZINC001193591583 969753556 /nfs/dbraw/zinc/75/35/56/969753556.db2.gz VCEBAEUVYCLVCF-UHFFFAOYSA-N 1 1 369.206 1.985 20 30 FDEDMO COCC1(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)CCCCC1 ZINC001193557675 969759738 /nfs/dbraw/zinc/75/97/38/969759738.db2.gz COYDIVSUZJHYPT-RTBURBONSA-N 1 1 371.481 1.816 20 30 FDEDMO COCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)CCCCC1 ZINC001193557675 969759741 /nfs/dbraw/zinc/75/97/41/969759741.db2.gz COYDIVSUZJHYPT-RTBURBONSA-N 1 1 371.481 1.816 20 30 FDEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@](C)(OC)c2ccccc2F)C1 ZINC001193613406 969767862 /nfs/dbraw/zinc/76/78/62/969767862.db2.gz YFOPIVSNSOIFJL-LMMKCTJWSA-N 1 1 350.434 1.815 20 30 FDEDMO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cccc(NC(C)=O)c3)C[C@H]2O)CCC1 ZINC001193686238 969812345 /nfs/dbraw/zinc/81/23/45/969812345.db2.gz XRRHTDWTNPYXBE-RTBURBONSA-N 1 1 369.465 1.500 20 30 FDEDMO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(NC(C)=O)c3)C[C@H]2O)CCC1 ZINC001193686238 969812346 /nfs/dbraw/zinc/81/23/46/969812346.db2.gz XRRHTDWTNPYXBE-RTBURBONSA-N 1 1 369.465 1.500 20 30 FDEDMO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CC)cc3)C[C@H]2O)CCOCC1 ZINC001193727794 969818493 /nfs/dbraw/zinc/81/84/93/969818493.db2.gz MKNYWSLLQQACPQ-WOJBJXKFSA-N 1 1 370.493 1.730 20 30 FDEDMO C#CCC1(C(=O)N[C@@H]2C[N@@H+](CC3CCC(C)CC3)C[C@H]2O)CCOCC1 ZINC001193720237 969842388 /nfs/dbraw/zinc/84/23/88/969842388.db2.gz SSLQMVPBRFDSOI-CSODTCANSA-N 1 1 362.514 1.794 20 30 FDEDMO CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(CC(C)C)CCNC2=O)C1 ZINC001193912384 969921677 /nfs/dbraw/zinc/92/16/77/969921677.db2.gz 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C(#CC[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21)CN1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459745567 538694624 /nfs/dbraw/zinc/69/46/24/538694624.db2.gz BXBLYDXSYNBQPO-YRPNKDGESA-N 1 1 356.510 1.992 20 30 FDEDMO C(#CC[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21)C[NH+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459745567 538694608 /nfs/dbraw/zinc/69/46/08/538694608.db2.gz BXBLYDXSYNBQPO-YRPNKDGESA-N 1 1 356.510 1.992 20 30 FDEDMO C(#CC[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21)CN1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459745567 538694616 /nfs/dbraw/zinc/69/46/16/538694616.db2.gz BXBLYDXSYNBQPO-YRPNKDGESA-N 1 1 356.510 1.992 20 30 FDEDMO C(#CC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21)CN1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459745567 538694629 /nfs/dbraw/zinc/69/46/29/538694629.db2.gz BXBLYDXSYNBQPO-YRPNKDGESA-N 1 1 356.510 1.992 20 30 FDEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000488681037 538762081 /nfs/dbraw/zinc/76/20/81/538762081.db2.gz ZOXJZDDGHUFTLW-GPMSIDNRSA-N 1 1 350.507 1.614 20 30 FDEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@H](C(C)(C)C)C3)CC2)o1 ZINC000561793484 545954675 /nfs/dbraw/zinc/95/46/75/545954675.db2.gz IABLIAPTKLRRLQ-HNNXBMFYSA-N 1 1 359.474 1.871 20 30 FDEDMO N#Cc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n1 ZINC000563099823 546403069 /nfs/dbraw/zinc/40/30/69/546403069.db2.gz UCDYXXSGPIRFJH-AEFFLSMTSA-N 1 1 365.437 1.958 20 30 FDEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000563189562 546438355 /nfs/dbraw/zinc/43/83/55/546438355.db2.gz SKIYTYQWXYPVOB-MRXNPFEDSA-N 1 1 356.405 1.673 20 30 FDEDMO C=C[C@](C)(O)CC(=O)N1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000563575351 546594152 /nfs/dbraw/zinc/59/41/52/546594152.db2.gz GSTGUQPYSYCHPP-BXWFABGCSA-N 1 1 354.491 1.430 20 30 FDEDMO N#Cc1nc(N2CCC[C@H](N3CC[NH2+]CC3=O)C2)ccc1C(F)(F)F ZINC000564193974 546838574 /nfs/dbraw/zinc/83/85/74/546838574.db2.gz PVNNTHOABUKGCT-NSHDSACASA-N 1 1 353.348 1.373 20 30 FDEDMO C=CCCCCCNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000565222827 547261819 /nfs/dbraw/zinc/26/18/19/547261819.db2.gz QXBBAJKGEXKCOE-SFHVURJKSA-N 1 1 364.534 1.478 20 30 FDEDMO Cc1nc2sccn2c(=O)c1CC[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000565530601 547387291 /nfs/dbraw/zinc/38/72/91/547387291.db2.gz UAKCCZPNZHEDJA-UHFFFAOYSA-N 1 1 371.470 1.349 20 30 FDEDMO CC[C@H](CC#N)[NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000566570940 547813280 /nfs/dbraw/zinc/81/32/80/547813280.db2.gz WJJQQGKRUCVSFF-QZTJIDSGSA-N 1 1 357.433 1.816 20 30 FDEDMO COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)[NH+](C)C ZINC000567468835 548128291 /nfs/dbraw/zinc/12/82/91/548128291.db2.gz APGZXFJJFIMHQJ-OAHLLOKOSA-N 1 1 367.409 1.319 20 30 FDEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCc2ccc(CC#N)cc2)C1 ZINC000568509532 548567122 /nfs/dbraw/zinc/56/71/22/548567122.db2.gz NKTMXBFGEIPHTM-GOSISDBHSA-N 1 1 356.470 1.463 20 30 FDEDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)C1 ZINC000568999616 548763457 /nfs/dbraw/zinc/76/34/57/548763457.db2.gz OEISDXWYNLCEAL-GOSISDBHSA-N 1 1 356.470 1.559 20 30 FDEDMO C[C@]1(F)C[NH2+]CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000569215136 548837214 /nfs/dbraw/zinc/83/72/14/548837214.db2.gz GRDVEPQLRJXPPP-LPHOPBHVSA-N 1 1 373.432 1.397 20 30 FDEDMO Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000569626969 548987777 /nfs/dbraw/zinc/98/77/77/548987777.db2.gz RGYNXEIDZBJDQF-KRWDZBQOSA-N 1 1 352.442 1.513 20 30 FDEDMO N#Cc1cc2c(nc1NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)CCOC2 ZINC000569899368 549085676 /nfs/dbraw/zinc/08/56/76/549085676.db2.gz GYKSNEFMUKLZPI-MOPGFXCFSA-N 1 1 364.449 2.073 20 30 FDEDMO N#Cc1cnn2cc(CN3CCC(CC[NH+]4CCOCC4)CC3)cnc12 ZINC000571165699 549549092 /nfs/dbraw/zinc/54/90/92/549549092.db2.gz IRUDWDQILZPNIS-UHFFFAOYSA-N 1 1 354.458 1.535 20 30 FDEDMO N#Cc1cnn2cc(C[NH+]3CCC(CCN4CCOCC4)CC3)cnc12 ZINC000571165699 549549095 /nfs/dbraw/zinc/54/90/95/549549095.db2.gz IRUDWDQILZPNIS-UHFFFAOYSA-N 1 1 354.458 1.535 20 30 FDEDMO COc1ccc(OC)c(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000571599205 549703831 /nfs/dbraw/zinc/70/38/31/549703831.db2.gz BGRNMGOAQVSPNO-UHFFFAOYSA-N 1 1 361.423 1.534 20 30 FDEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000572196445 549862903 /nfs/dbraw/zinc/86/29/03/549862903.db2.gz YSBSRCGFYYCTIW-SQNIBIBYSA-N 1 1 365.518 1.711 20 30 FDEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)C1 ZINC000573368877 550122243 /nfs/dbraw/zinc/12/22/43/550122243.db2.gz ZVZFAPMCGBRPKU-IBGZPJMESA-N 1 1 368.481 1.559 20 30 FDEDMO N#Cc1cnn2cc(C[NH2+]Cc3cc(F)ccc3N3CCOCC3)cnc12 ZINC000573685209 550192007 /nfs/dbraw/zinc/19/20/07/550192007.db2.gz YZDLURRNRLBVRD-UHFFFAOYSA-N 1 1 366.400 1.866 20 30 FDEDMO C=CCn1cc(CNC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000575271519 550450239 /nfs/dbraw/zinc/45/02/39/550450239.db2.gz ZHHWRKDMBQCHGL-MRXNPFEDSA-N 1 1 354.458 1.880 20 30 FDEDMO C=CCn1cc(CNC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000575271519 550450240 /nfs/dbraw/zinc/45/02/40/550450240.db2.gz ZHHWRKDMBQCHGL-MRXNPFEDSA-N 1 1 354.458 1.880 20 30 FDEDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000575761784 550473276 /nfs/dbraw/zinc/47/32/76/550473276.db2.gz ONOUTYSSKVPWRS-CYBMUJFWSA-N 1 1 356.405 2.441 20 30 FDEDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000575761784 550473278 /nfs/dbraw/zinc/47/32/78/550473278.db2.gz ONOUTYSSKVPWRS-CYBMUJFWSA-N 1 1 356.405 2.441 20 30 FDEDMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC3(C#N)CC3)CC2)CC1 ZINC000576570280 550563220 /nfs/dbraw/zinc/56/32/20/550563220.db2.gz MIXXXBVIAIFWJF-UHFFFAOYSA-N 1 1 361.490 1.266 20 30 FDEDMO C[C@H]1[C@H](NC(=O)C(=O)Nc2cccc(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000576582070 550564868 /nfs/dbraw/zinc/56/48/68/550564868.db2.gz XENAJYGZCZTSKE-WMLDXEAASA-N 1 1 363.421 1.671 20 30 FDEDMO CC[N@@H+](C)C[C@@H](O)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000578156528 550734175 /nfs/dbraw/zinc/73/41/75/550734175.db2.gz HSKFGGBXSIWZPH-CQSZACIVSA-N 1 1 359.430 1.241 20 30 FDEDMO Cc1nn(C)c(N2CC[NH+](CCC(=O)Nc3cccnc3)CC2)c1C#N ZINC000578413366 550760756 /nfs/dbraw/zinc/76/07/56/550760756.db2.gz VIGJJBSVDRKXIC-UHFFFAOYSA-N 1 1 353.430 1.146 20 30 FDEDMO CC[N@H+]1CCC[C@@H](CNC(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000580348954 550970073 /nfs/dbraw/zinc/97/00/73/550970073.db2.gz LKHLZUYMSYLISA-HNNXBMFYSA-N 1 1 359.474 1.919 20 30 FDEDMO N#CCC[C@H](C#N)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000580392723 550976983 /nfs/dbraw/zinc/97/69/83/550976983.db2.gz VGTFBSBMOHTAME-LLVKDONJSA-N 1 1 358.826 1.791 20 30 FDEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000580526249 550991171 /nfs/dbraw/zinc/99/11/71/550991171.db2.gz TTYPPGIJCDDVBV-QRVBRYPASA-N 1 1 359.470 1.786 20 30 FDEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)CC1 ZINC000580559515 550995129 /nfs/dbraw/zinc/99/51/29/550995129.db2.gz KHNNJHKAVNGLLU-QYZOEREBSA-N 1 1 362.518 1.570 20 30 FDEDMO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000580914507 551032346 /nfs/dbraw/zinc/03/23/46/551032346.db2.gz ZLQRCRSQEISGLX-MAUKXSAKSA-N 1 1 354.454 1.528 20 30 FDEDMO C[C@@H]1CN(C[C@H](O)C[N@@H+](C)CCOCc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000580975867 551039150 /nfs/dbraw/zinc/03/91/50/551039150.db2.gz MDRVXSFNLWVELA-MBOZVWFJSA-N 1 1 361.486 1.477 20 30 FDEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](CC3CC3)C3CCC3)CC2)o1 ZINC000581046951 551046099 /nfs/dbraw/zinc/04/60/99/551046099.db2.gz GZDOBJWEHOGQGR-UHFFFAOYSA-N 1 1 357.458 1.768 20 30 FDEDMO Cc1cccc(C[NH+]2CCN(C(=O)Cn3cc(C)cc(C#N)c3=O)CC2)c1 ZINC000581250788 551068527 /nfs/dbraw/zinc/06/85/27/551068527.db2.gz OHCMMUUHVAVUFB-UHFFFAOYSA-N 1 1 364.449 1.681 20 30 FDEDMO N#Cc1cccc(COc2cccc(C[N@H+]3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)c2)c1 ZINC000582945228 551283860 /nfs/dbraw/zinc/28/38/60/551283860.db2.gz KJHDSVUVZSHTFJ-KDURUIRLSA-N 1 1 361.401 1.842 20 30 FDEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)C1 ZINC000585690413 551582158 /nfs/dbraw/zinc/58/21/58/551582158.db2.gz ZRLDWIIUMANWLD-QAPCUYQASA-N 1 1 372.469 1.208 20 30 FDEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000585716893 551586693 /nfs/dbraw/zinc/58/66/93/551586693.db2.gz AWOPFJHWNSACRB-RBUKOAKNSA-N 1 1 359.470 1.485 20 30 FDEDMO N#Cc1cc(F)cc(C2(C(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CC2)c1 ZINC000586775293 551618033 /nfs/dbraw/zinc/61/80/33/551618033.db2.gz DJLQIYSXHFNOPM-QZTJIDSGSA-N 1 1 357.429 1.787 20 30 FDEDMO CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000586864524 551627915 /nfs/dbraw/zinc/62/79/15/551627915.db2.gz XNLGYDRTTWSGBH-UHFFFAOYSA-N 1 1 360.433 1.646 20 30 FDEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC[C@@H]21 ZINC000586864974 551628153 /nfs/dbraw/zinc/62/81/53/551628153.db2.gz VGXIGMTXSASAPG-WBVHZDCISA-N 1 1 358.417 1.256 20 30 FDEDMO Cc1ncc(S(=O)(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1C#N ZINC000589889769 551749458 /nfs/dbraw/zinc/74/94/58/551749458.db2.gz HWZMJPLWBAVMPV-INIZCTEOSA-N 1 1 364.471 1.137 20 30 FDEDMO Cc1ncc(S(=O)(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1C#N ZINC000589889769 551749460 /nfs/dbraw/zinc/74/94/60/551749460.db2.gz HWZMJPLWBAVMPV-INIZCTEOSA-N 1 1 364.471 1.137 20 30 FDEDMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N3CC(C#N)C3)cc2)CC1 ZINC000590123263 551761265 /nfs/dbraw/zinc/76/12/65/551761265.db2.gz NOAUHACSKMXPRN-UHFFFAOYSA-N 1 1 355.442 1.380 20 30 FDEDMO CC[N@H+]1CC[C@H]2OCCN(C[C@H](O)COc3ccc(CC#N)cc3)[C@H]2C1 ZINC000590190457 551764100 /nfs/dbraw/zinc/76/41/00/551764100.db2.gz FUJZYDBKXMRQHP-YSIASYRMSA-N 1 1 359.470 1.287 20 30 FDEDMO N#Cc1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cnc1C(F)(F)F ZINC000590223332 551765885 /nfs/dbraw/zinc/76/58/85/551765885.db2.gz GJZGUPSROSAGOC-UONOGXRCSA-N 1 1 368.359 1.643 20 30 FDEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000590401500 551780261 /nfs/dbraw/zinc/78/02/61/551780261.db2.gz LTLZCQWGVKGVEH-RTBURBONSA-N 1 1 373.501 1.668 20 30 FDEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000590401498 551780480 /nfs/dbraw/zinc/78/04/80/551780480.db2.gz LTLZCQWGVKGVEH-OALUTQOASA-N 1 1 373.501 1.668 20 30 FDEDMO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590442412 551784825 /nfs/dbraw/zinc/78/48/25/551784825.db2.gz GMLCPXSFVDWOMO-WMLDXEAASA-N 1 1 352.442 1.313 20 30 FDEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000590598859 551796806 /nfs/dbraw/zinc/79/68/06/551796806.db2.gz CJOKMIXUJBIDHB-JTQLQIEISA-N 1 1 373.848 2.119 20 30 FDEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000590600455 551797070 /nfs/dbraw/zinc/79/70/70/551797070.db2.gz PDKGVTAFGLWXDQ-LJQANCHMSA-N 1 1 356.470 1.361 20 30 FDEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000590600455 551797072 /nfs/dbraw/zinc/79/70/72/551797072.db2.gz PDKGVTAFGLWXDQ-LJQANCHMSA-N 1 1 356.470 1.361 20 30 FDEDMO C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 ZINC000590631874 551800348 /nfs/dbraw/zinc/80/03/48/551800348.db2.gz CBEGJOAJDQFSCD-KBPBESRZSA-N 1 1 360.845 1.775 20 30 FDEDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C[C@@H]21 ZINC000590762578 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